0 B10R1.15 *CC(c1ccccc1)* 1P0035YN [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 BrC(c1ccccc1)C#N 1P00EJ05 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 BrCC(=C)c1ccccc1 1P00BYL9 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 BrCC(=O)c1ccccc1 1P0033MP [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 BrCC(=O)c1ccccn1 1P0021LH [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 BrCC(=O)c1cccnc1 1P0025H6 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 BrCC(=O)c1cccnc1 1P00EJUC [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 BrCC(=O)c1ccncc1 1P00DETO [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [0,0,0,0,0,0|1,0,0]=1 13 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 C#CC(=O)c1ccccc1 1P003F2Q [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 C#CC(c1ccccn1)O 1P00CHLT [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 C=CC(=O)c1ccccc1 1P003A5I [0,0,0,0,0,0|2,0,2]=4 17 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [0,0,0,0,0,0|2,0,1]=3 21 B10R1.15 C=CS(=O)c1ccccc1 1P0029ZV [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [0,0,0,0,0,0|2,0,1]=3 24 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [0,0,0,0,0,0|2,0,1]=3 25 B10R1.15 CC(=NN)c1cnccn1 1P019TJ6 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [0,0,0,0,0,0|1,0,1]=2 27 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [0,0,0,0,0,0|0,0,2]=2 28 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 CC(c1ccncc1)C#N 1P019U6H [0,0,0,0,0,0|1,0,2]=3 30 B10R1.15 CC(c1cnccn1)C#N 1P01BWBB [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.15 CC(c1cnccn1)CO 1P0287C3 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [0,0,0,0,0,0|1,0,2]=3 34 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [0,0,0,0,0,0|1,0,2]=3 35 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [0,0,0,0,0,0|2,0,1]=3 36 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [0,0,0,0,0,0|3,0,1]=4 37 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [0,0,0,0,0,0|3,0,1]=4 38 B10R1.15 CCC(=O)c1ccncc1 1P003DKY [0,0,0,0,0,0|3,0,1]=4 39 B10R1.15 CCC(=O)c1ccncc1 1P028X9W [0,0,0,0,0,0|3,0,1]=4 40 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [0,0,0,0,0,0|2,0,0]=2 41 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [0,0,0,0,0,0|2,0,0]=2 43 B10R1.15 CCC(c1ccccc1)N 1P003F3H [0,0,0,0,0,0|2,0,0]=2 44 B10R1.15 CCC(c1ccccc1)S 1P01A000 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.15 CCC(c1ccccn1)N 1P0001KW [0,0,0,0,0,0|3,0,0]=3 46 B10R1.15 CCC(c1ccccn1)N 1P00J25M [0,0,0,0,0,0|3,0,0]=3 47 B10R1.15 CCC(c1cccnc1)N 1P000K5S [0,0,0,0,0,0|3,0,0]=3 48 B10R1.15 CCC(c1cccnc1)N 1P003DEE [0,0,0,0,0,0|3,0,0]=3 49 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [0,0,0,0,0,0|3,0,0]=3 50 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.15 CCC(c1ncccn1)N 1P01CAMO [0,0,0,0,0,0|4,0,0]=4 52 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [0,0,0,0,0,0|2,0,0]=2 53 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [0,0,0,0,0,0|2,0,0]=2 54 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [0,0,0,0,0,0|2,0,0]=2 58 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.15 CNC(=N)c1ccccc1 1P01BBOA [0,0,0,0,0,0|3,0,1]=4 62 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [0,0,0,0,0,0|3,0,1]=4 63 B10R1.15 CNC(=S)c1ccccc1 1P00E16P [0,0,0,0,0,0|3,0,1]=4 64 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.15 CNC(c1ccccc1)C 1P00C63A [0,0,0,0,0,0|2,0,0]=2 66 B10R1.15 CNC(c1ccccn1)C 1P008W2I [0,0,0,0,0,0|3,0,0]=3 67 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.15 CNC(c1cccnc1)C 1P008VWL [0,0,0,0,0,0|3,0,0]=3 70 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [0,0,0,0,0,0|3,0,0]=3 71 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.15 CNC(c1ccncc1)C 1P001RII [0,0,0,0,0,0|3,0,0]=3 73 B10R1.15 CNC(c1ccncc1)C 1P00J3HT [0,0,0,0,0,0|3,0,0]=3 74 B10R1.15 CNC(c1ccncc1)C 1P00J3UG [0,0,0,0,0,0|3,0,0]=3 75 B10R1.15 CNC(c1ccncn1)C 1P00J3U3 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.15 CNC(c1ccnnc1)C 1P027UXS [0,0,0,0,0,0|4,0,0]=4 77 B10R1.15 CNC(c1ncccn1)C 1P028D2F [0,0,0,0,0,0|4,0,0]=4 78 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [0,0,0,0,0,0|2,0,0]=2 79 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [0,0,0,0,0,0|2,0,0]=2 80 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [0,0,0,0,0,0|3,0,0]=3 81 B10R1.15 CN[C@@H](c1ccncc1)C 1P0281L9 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [0,0,0,0,0,0|2,0,0]=2 84 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [0,0,0,0,0,0|3,0,0]=3 85 B10R1.15 CN[C@H](c1ccncc1)C 1P01FKUZ [0,0,0,0,0,0|3,0,0]=3 86 B10R1.15 CN[C@H](c1ccncc1)C 1P024UA1 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.15 COC(=N)c1ccccc1 1P003SG1 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [0,0,0,0,0,0|3,0,1]=4 89 B10R1.15 COS(=O)c1ccccc1 1P0035P8 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.15 CSC(=S)c1ccccc1 1P007PX1 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.15 ClCC(=O)c1ccccn1 1P00DTRX [0,0,0,0,0,0|3,0,1]=4 92 B10R1.15 ClCC(=O)c1cccnc1 1P00E9NE [0,0,0,0,0,0|3,0,1]=4 93 B10R1.15 ClCC(=O)c1ccncc1 1P007OBO [0,0,0,0,0,0|3,0,1]=4 94 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [0,0,0,0,0,0|2,0,0]=2 95 B10R1.15 ClCS(=O)c1ccccc1 1P003BRN [0,0,0,0,0,0|3,0,0]=3 96 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [0,0,0,0,0,0|2,0,0]=2 97 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.15 FC(c1ccccc1)C#N 1P01ACVI [0,0,0,0,0,0|1,0,2]=3 99 B10R1.15 FCC(=O)c1ccccc1 1P00I8Y0 [0,0,0,0,0,0|2,0,1]=3 100 B10R1.15 FCC(=O)c1ccccn1 1P00GPM5 [0,0,0,0,0,0|3,0,1]=4 101 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [0,0,0,0,0,0|2,0,0]=2 102 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [0,0,0,0,0,0|2,0,0]=2 103 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [0,0,0,0,0,0|2,0,0]=2 105 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [0,0,0,0,0,0|2,0,0]=2 106 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [0,0,0,0,0,0|2,0,0]=2 107 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.15 N#CC(=O)c1ccccc1 1P003OJN [0,0,0,0,0,0|1,0,3]=4 109 B10R1.15 N#CC(c1cccnc1)N 1P00A8FG [0,0,0,0,0,0|2,0,2]=4 110 B10R1.15 N#CC(c1cccnc1)N 1P0288HE [0,0,0,0,0,0|2,0,2]=4 111 B10R1.15 NC(c1ccccc1)C#C 1P01BGT7 [0,0,0,0,0,0|2,0,1]=3 112 B10R1.15 NC(c1ccccc1)C#N 1P00AMGH [0,0,0,0,0,0|1,0,2]=3 113 B10R1.15 NCC(=C)c1ccccc1 1P019VHO [0,0,0,0,0,0|0,0,2]=2 114 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [0,0,0,0,0,0|1,0,1]=2 115 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [0,0,0,0,0,0|1,0,1]=2 116 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [0,0,0,0,0,0|2,0,1]=3 117 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [0,0,0,0,0,0|2,0,1]=3 118 B10R1.15 NCC(=O)c1ccncc1 1P00DIEI [0,0,0,0,0,0|2,0,1]=3 119 B10R1.15 NCC(=O)c1nccnc1 1P01EI7X [0,0,0,0,0,0|3,0,1]=4 120 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [0,0,0,0,0,0|1,0,0]=1 121 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [0,0,0,0,0,0|1,0,0]=1 122 B10R1.15 NCC(c1ccccc1)N 1P001X54 [0,0,0,0,0,0|1,0,0]=1 123 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [0,0,0,0,0,0|1,0,0]=1 124 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [0,0,0,0,0,0|1,0,0]=1 125 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [0,0,0,0,0,0|2,0,0]=2 126 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [0,0,0,0,0,0|2,0,0]=2 127 B10R1.15 NCC(c1ccccn1)O 1P019LWP [0,0,0,0,0,0|2,0,0]=2 128 B10R1.15 NCC(c1cccnc1)O 1P006JYO [0,0,0,0,0,0|2,0,0]=2 129 B10R1.15 NCC(c1cccnc1)O 1P009SDI [0,0,0,0,0,0|2,0,0]=2 130 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [0,0,0,0,0,0|2,0,0]=2 131 B10R1.15 NCC(c1ccncc1)C 1P019ULY [0,0,0,0,0,0|1,0,0]=1 132 B10R1.15 NCC(c1ccncc1)C 1P028YSF [0,0,0,0,0,0|1,0,0]=1 133 B10R1.15 NCC(c1ccncc1)O 1P00IGKE [0,0,0,0,0,0|2,0,0]=2 134 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [0,0,0,0,0,0|0,0,0]=0 135 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [0,0,0,0,0,0|0,0,0]=0 136 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [0,0,0,0,0,0|1,0,0]=1 137 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [0,0,0,0,0,0|1,0,0]=1 138 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [0,0,0,0,0,0|2,0,0]=2 139 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [0,0,0,0,0,0|0,0,0]=0 140 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [0,0,0,0,0,0|1,0,0]=1 141 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [0,0,0,0,0,0|1,0,0]=1 142 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [0,0,0,0,0,0|2,0,0]=2 143 B10R1.15 NN(c1ccccc1)C#N 1P01IE7X [0,0,0,0,0,0|2,0,2]=4 144 B10R1.15 NNC(=N)c1ccccc1 1P002X41 [0,0,0,0,0,0|2,0,1]=3 145 B10R1.15 NNC(=N)c1ccccn1 1P0002LX [0,0,0,0,0,0|3,0,1]=4 146 B10R1.15 NNC(=N)c1cccnc1 1P01AH0S [0,0,0,0,0,0|3,0,1]=4 147 B10R1.15 NNC(=N)c1cccnc1 1P01AH6T [0,0,0,0,0,0|3,0,1]=4 148 B10R1.15 NNC(=O)c1ccccc1 1P003OJR [0,0,0,0,0,0|2,0,1]=3 149 B10R1.15 NNC(=O)c1ccccn1 1P003BQA [0,0,0,0,0,0|3,0,1]=4 150 B10R1.15 NNC(=O)c1cccnc1 1P003TKF [0,0,0,0,0,0|3,0,1]=4 151 B10R1.15 NNC(=O)c1ccncc1 1P00IA3Q [0,0,0,0,0,0|3,0,1]=4 152 B10R1.15 NNC(=S)c1ccccc1 1P002AZ4 [0,0,0,0,0,0|2,0,1]=3 153 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [0,0,0,0,0,0|1,0,0]=1 154 B10R1.15 NNC(c1ccncc1)C 1P01C4JV [0,0,0,0,0,0|2,0,0]=2 155 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [0,0,0,0,0,0|1,0,0]=1 156 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [0,0,0,0,0,0|1,0,0]=1 157 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [0,0,0,0,0,0|1,0,0]=1 158 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [0,0,0,0,0,0|2,0,0]=2 159 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [0,0,0,0,0,0|2,0,0]=2 160 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [0,0,0,0,0,0|1,0,0]=1 161 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [0,0,0,0,0,0|2,0,0]=2 162 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [0,0,0,0,0,0|2,0,0]=2 163 B10R1.15 N[C@@H](c1ccccc1)C#C 1P028XYR [0,0,0,0,0,0|2,0,1]=3 164 B10R1.15 N[C@@H](c1ccccc1)C#N 1P003IC6 [0,0,0,0,0,0|1,0,2]=3 165 B10R1.15 O=CC(=O)c1ccccc1 1P0035XU [0,0,0,0,0,0|2,0,2]=4 166 B10R1.15 O=CC(=O)c1ccccc1 1P0035XV [0,0,0,0,0,0|2,0,2]=4 167 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [0,0,0,0,0,0|1,0,1]=2 168 B10R1.15 O=CN(c1ccccc1)C 1P003TOE [0,0,0,0,0,0|2,0,1]=3 169 B10R1.15 O=CN(c1ccccn1)C 1P003TOP [0,0,0,0,0,0|3,0,1]=4 170 B10R1.15 O=NN(c1ccccc1)C 1P003TPQ [0,0,0,0,0,0|3,0,0]=3 171 B10R1.15 O=NN(c1ccccc1)[O-] 1P00IKYS [0,0,0,0,0,0|4,0,0]=4 172 B10R1.15 O=NN(c1ccccc1)[O-] 1P01DQLH [0,0,0,0,0,0|4,0,0]=4 173 B10R1.15 O=NN(c1ccccn1)C 1P01RQSN [0,0,0,0,0,0|4,0,0]=4 174 B10R1.15 O=NN(c1ccncc1)C 1P001TBQ [0,0,0,0,0,0|4,0,0]=4 175 B10R1.15 OC(c1ccccc1)C#C 1P003F2P [0,0,0,0,0,0|2,0,1]=3 176 B10R1.15 OC(c1ccccc1)C#N 1P0035L5 [0,0,0,0,0,0|1,0,2]=3 177 B10R1.15 OCC(=C)c1ccccc1 1P0036LP [0,0,0,0,0,0|1,0,2]=3 178 B10R1.15 OCC(=C)c1cccnc1 1P024ZQ7 [0,0,0,0,0,0|2,0,2]=4 179 B10R1.15 OCC(=O)c1ccccc1 1P003HVU [0,0,0,0,0,0|2,0,1]=3 180 B10R1.15 OCC(=O)c1ccccn1 1P01DFA8 [0,0,0,0,0,0|3,0,1]=4 181 B10R1.15 OCC(=O)c1cccnc1 1P008Z6T [0,0,0,0,0,0|3,0,1]=4 182 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [0,0,0,0,0,0|1,0,0]=1 183 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [0,0,0,0,0,0|2,0,0]=2 184 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [0,0,0,0,0,0|2,0,0]=2 185 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [0,0,0,0,0,0|2,0,0]=2 186 B10R1.15 OCC(c1ccccn1)N 1P003GT3 [0,0,0,0,0,0|3,0,0]=3 187 B10R1.15 OCC(c1ccccn1)O 1P0285SM [0,0,0,0,0,0|3,0,0]=3 188 B10R1.15 OCC(c1cccnc1)N 1P0092VK [0,0,0,0,0,0|3,0,0]=3 189 B10R1.15 OCC(c1ccncc1)N 1P00171M [0,0,0,0,0,0|3,0,0]=3 190 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [0,0,0,0,0,0|3,0,0]=3 191 B10R1.15 OCC(c1cncnc1)O 1P028XUK [0,0,0,0,0,0|4,0,0]=4 192 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [0,0,0,0,0,0|1,0,0]=1 193 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [0,0,0,0,0,0|2,0,0]=2 194 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [0,0,0,0,0,0|2,0,0]=2 195 B10R1.15 OC[C@@H](c1ccccn1)N 1P01EMUX [0,0,0,0,0,0|3,0,0]=3 196 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [0,0,0,0,0,0|1,0,0]=1 197 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [0,0,0,0,0,0|2,0,0]=2 198 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [0,0,0,0,0,0|2,0,0]=2 199 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [0,0,0,0,0,0|2,0,0]=2 200 B10R1.15 OC[C@H](c1ccccn1)N 1P01DWC6 [0,0,0,0,0,0|3,0,0]=3 201 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [0,0,0,0,0,0|3,0,0]=3 202 B10R1.15 OC[C@H](c1ccncc1)N 1P01KKX4 [0,0,0,0,0,0|3,0,0]=3 203 B10R1.15 ON=C(c1ccccc1)C 1P00DMUA [0,0,0,0,0,0|2,0,1]=3 204 B10R1.15 ON=C(c1ccccc1)Cl 1P01ACQ0 [0,0,0,0,0,0|3,0,1]=4 205 B10R1.15 ON=C(c1ccccc1)N 1P01BA34 [0,0,0,0,0,0|3,0,1]=4 206 B10R1.15 ON=C(c1ccncc1)C 1P000J5V [0,0,0,0,0,0|3,0,1]=4 207 B10R1.15 ONC(=O)c1ccccc1 1P003OIX [0,0,0,0,0,0|3,0,1]=4 208 B10R1.15 ONC(c1ccccc1)C 1P002XUP [0,0,0,0,0,0|2,0,0]=2 209 B10R1.15 O[C@@H](c1ccccc1)C#C 1P003COU [0,0,0,0,0,0|2,0,1]=3 210 B10R1.15 O[C@H](c1ccccc1)C#C 1P003D0N [0,0,0,0,0,0|2,0,1]=3 211 B10R1.15 O[C@H](c1ccccc1)C#N 1P0001PU [0,0,0,0,0,0|1,0,2]=3 212 B10R1.15 O\N=C(/c1cccnc1)\C 1P00EA84 [0,0,0,0,0,0|3,0,1]=4 213 B10R1.15 O\N=C(/c1ccncc1)\C 1P009O8D [0,0,0,0,0,0|3,0,1]=4 214 B10R1.15 O\N=C(\c1ccccc1)/C 1P003O45 [0,0,0,0,0,0|2,0,1]=3 215 B10R1.15 O\N=C(\c1ccccc1)/Cl 1P00FAE8 [0,0,0,0,0,0|3,0,1]=4 216 B10R1.15 O\N=C(\c1ccccc1)/N 1P003OH7 [0,0,0,0,0,0|3,0,1]=4 217 B10R1.15 O\N=C(\c1ccccc1)/N 1P009A68 [0,0,0,0,0,0|3,0,1]=4 218 B10R1.15 O\N=C(\c1ccccn1)/C 1P00GPLO [0,0,0,0,0,0|3,0,1]=4 219 B10R1.15 SCC(=O)c1ccccc1 1P00BIBD [0,0,0,0,0,0|2,0,1]=3 220 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [0,0,0,0,0,0|1,0,0]=1 221 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [0,0,0,0,0,0|0,0,1]=1 222 B10R1.15 [O-]NC(=O)c1ccccc1 1P003OIY [0,0,0,0,0,0|3,0,1]=4 223 B10R1.15 [O-]NC(=O)c1ccccc1 1P00C19F [0,0,0,0,0,0|3,0,1]=4 224 B9R1.6 BrC(=C)c1ccccc1 1P003AO1 [1,0,0,0,0,0|1,0,2]=4 225 B9R1.6 BrC(=O)c1ccccc1 1P003OJM [1,0,0,0,0,0|2,0,1]=4 226 B9R1.6 C(=O)([2H])c1ccccc1 1P00CKBV [1,0,0,0,0,0|2,0,1]=4 227 B9R1.6 CC(=C)c1ccccn1 1P00ELW9 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.6 CC(=C)c1cccnc1 1P00B5O7 [1,0,0,0,0,0|1,0,2]=4 229 B9R1.6 CC(=O)c1ccccc1 1P0036AX [1,0,0,0,0,0|1,0,1]=3 230 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.6 CC(=O)c1ccncc1 1P003L3Q [1,0,0,0,0,0|2,0,1]=4 233 B9R1.6 CC([n+]1ccccc1)C 1P01ERR5 [1,0,0,0,0,0|1,0,0]=2 234 B9R1.6 CC(c1ccccc1)Br 1P003BVV [1,0,0,0,0,0|1,0,0]=2 235 B9R1.6 CC(c1ccccc1)C 1P0032S0 [1,0,0,0,0,0|0,0,0]=1 236 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [1,0,0,0,0,0|1,0,0]=2 237 B9R1.6 CC(c1ccccc1)N 1P00369W [1,0,0,0,0,0|0,0,0]=1 238 B9R1.6 CC(c1ccccc1)N 1P009X79 [1,0,0,0,0,0|0,0,0]=1 239 B9R1.6 CC(c1ccccc1)S 1P003COW [1,0,0,0,0,0|1,0,0]=2 240 B9R1.6 CC(c1ccccn1)Br 1P005XKU [1,0,0,0,0,0|2,0,0]=3 241 B9R1.6 CC(c1ccccn1)Br 1P019XVD [1,0,0,0,0,0|2,0,0]=3 242 B9R1.6 CC(c1ccccn1)C 1P00E98K [1,0,0,0,0,0|1,0,0]=2 243 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [1,0,0,0,0,0|2,0,0]=3 244 B9R1.6 CC(c1ccccn1)N 1P0039UO [1,0,0,0,0,0|1,0,0]=2 245 B9R1.6 CC(c1ccccn1)N 1P003DC9 [1,0,0,0,0,0|1,0,0]=2 246 B9R1.6 CC(c1ccccn1)O 1P003F63 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.6 CC(c1cccnc1)Br 1P019XJX [1,0,0,0,0,0|2,0,0]=3 248 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [1,0,0,0,0,0|2,0,0]=3 249 B9R1.6 CC(c1cccnc1)N 1P000HRO [1,0,0,0,0,0|1,0,0]=2 250 B9R1.6 CC(c1cccnc1)N 1P003DEG [1,0,0,0,0,0|1,0,0]=2 251 B9R1.6 CC(c1cccnc1)O 1P003IG7 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.6 CC(c1cccnn1)Cl 1P02519E [1,0,0,0,0,0|3,0,0]=4 253 B9R1.6 CC(c1cccnn1)N 1P01KX69 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.6 CC(c1cccnn1)O 1P00HZKK [1,0,0,0,0,0|3,0,0]=4 255 B9R1.6 CC(c1ccncc1)Br 1P019XJY [1,0,0,0,0,0|2,0,0]=3 256 B9R1.6 CC(c1ccncc1)C 1P003M2H [1,0,0,0,0,0|1,0,0]=2 257 B9R1.6 CC(c1ccncc1)Cl 1P0169EG [1,0,0,0,0,0|2,0,0]=3 258 B9R1.6 CC(c1ccncc1)N 1P001ZXP [1,0,0,0,0,0|1,0,0]=2 259 B9R1.6 CC(c1ccncc1)N 1P003DHP [1,0,0,0,0,0|1,0,0]=2 260 B9R1.6 CC(c1ccncc1)N 1P01C1JO [1,0,0,0,0,0|1,0,0]=2 261 B9R1.6 CC(c1ccncc1)O 1P002NIX [1,0,0,0,0,0|2,0,0]=3 262 B9R1.6 CC(c1ccncn1)N 1P000P00 [1,0,0,0,0,0|2,0,0]=3 263 B9R1.6 CC(c1ccnnc1)N 1P0003H4 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.6 CC(c1ccnnc1)N 1P00HDEA [1,0,0,0,0,0|2,0,0]=3 265 B9R1.6 CC(c1ccnnc1)O 1P0282XW [1,0,0,0,0,0|3,0,0]=4 266 B9R1.6 CC(c1cnccn1)Cl 1P000Z2P [1,0,0,0,0,0|3,0,0]=4 267 B9R1.6 CC(c1cnccn1)N 1P0027E6 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.6 CC(c1cnccn1)O 1P00IIZX [1,0,0,0,0,0|3,0,0]=4 269 B9R1.6 CC(c1cncnc1)N 1P01K4D6 [1,0,0,0,0,0|2,0,0]=3 270 B9R1.6 CC(c1cncnc1)O 1P00G5BU [1,0,0,0,0,0|3,0,0]=4 271 B9R1.6 CC(c1ncccn1)Cl 1P01BV6J [1,0,0,0,0,0|3,0,0]=4 272 B9R1.6 CC(c1ncccn1)N 1P001W91 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.6 CC(c1ncccn1)N 1P01EIIZ [1,0,0,0,0,0|2,0,0]=3 274 B9R1.6 CC(c1ncccn1)O 1P00E3YR [1,0,0,0,0,0|3,0,0]=4 275 B9R1.6 CC(c1nccnc1)N 1P01EII2 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.6 CN(c1ccccc1)C 1P003T1K [1,0,0,0,0,0|1,0,0]=2 277 B9R1.6 CN(c1ccccc1)N 1P003EY0 [1,0,0,0,0,0|1,0,0]=2 278 B9R1.6 CN(c1ccccc1)N 1P00EKZW [1,0,0,0,0,0|1,0,0]=2 279 B9R1.6 CN(c1ccccn1)C 1P003BOB [1,0,0,0,0,0|2,0,0]=3 280 B9R1.6 CN(c1ccccn1)N 1P00736N [1,0,0,0,0,0|2,0,0]=3 281 B9R1.6 CN(c1cccnc1)C 1P0075WN [1,0,0,0,0,0|2,0,0]=3 282 B9R1.6 CN(c1ccncc1)C 1P0034HE [1,0,0,0,0,0|2,0,0]=3 283 B9R1.6 CN(c1ccncc1)C 1P003LRE [1,0,0,0,0,0|2,0,0]=3 284 B9R1.6 CN(c1ccncc1)N 1P01E1AT [1,0,0,0,0,0|2,0,0]=3 285 B9R1.6 CN(c1ccncn1)C 1P00D0M3 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.6 CN(c1cnccn1)N 1P00G9SO [1,0,0,0,0,0|3,0,0]=4 287 B9R1.6 CN(c1ncccn1)N 1P00E5BO [1,0,0,0,0,0|3,0,0]=4 288 B9R1.6 CP(c1ccccc1)C 1P003Q45 [1,0,0,0,0,0|1,0,0]=2 289 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [1,0,0,0,0,0|1,0,0]=2 290 B9R1.6 CP(c1ccncc1)C 1P028LIG [1,0,0,0,0,0|2,0,0]=3 291 B9R1.6 CS(=O)c1ccccc1 1P000J0D [1,0,0,0,0,0|2,0,0]=3 292 B9R1.6 CS(=O)c1ccccn1 1P006YWW [1,0,0,0,0,0|3,0,0]=4 293 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [1,0,0,0,0,0|0,0,0]=1 294 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [1,0,0,0,0,0|1,0,0]=2 295 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [1,0,0,0,0,0|1,0,0]=2 296 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [1,0,0,0,0,0|1,0,0]=2 297 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [1,0,0,0,0,0|1,0,0]=2 298 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [1,0,0,0,0,0|2,0,0]=3 299 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [1,0,0,0,0,0|1,0,0]=2 300 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [1,0,0,0,0,0|1,0,0]=2 301 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [1,0,0,0,0,0|2,0,0]=3 302 B9R1.6 C[C@@H](c1ccncc1)N 1P002VET [1,0,0,0,0,0|1,0,0]=2 303 B9R1.6 C[C@@H](c1ccncc1)N 1P00CNEB [1,0,0,0,0,0|1,0,0]=2 304 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [1,0,0,0,0,0|2,0,0]=3 305 B9R1.6 C[C@@H](c1ccncn1)O 1P01C1ND [1,0,0,0,0,0|3,0,0]=4 306 B9R1.6 C[C@@H](c1cnccn1)O 1P01AJZA [1,0,0,0,0,0|3,0,0]=4 307 B9R1.6 C[C@@H](c1ncccn1)N 1P01JVFK [1,0,0,0,0,0|2,0,0]=3 308 B9R1.6 C[C@@H](c1ncccn1)O 1P01JV8C [1,0,0,0,0,0|3,0,0]=4 309 B9R1.6 C[C@@H](c1nccnc1)N 1P01B2Z8 [1,0,0,0,0,0|2,0,0]=3 310 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [1,0,0,0,0,0|0,0,0]=1 311 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [1,0,0,0,0,0|0,0,0]=1 312 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [1,0,0,0,0,0|1,0,0]=2 313 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [1,0,0,0,0,0|1,0,0]=2 314 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [1,0,0,0,0,0|1,0,0]=2 315 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [1,0,0,0,0,0|1,0,0]=2 316 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [1,0,0,0,0,0|2,0,0]=3 317 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [1,0,0,0,0,0|1,0,0]=2 318 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [1,0,0,0,0,0|1,0,0]=2 319 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [1,0,0,0,0,0|1,0,0]=2 320 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [1,0,0,0,0,0|2,0,0]=3 321 B9R1.6 C[C@H](c1cccnn1)O 1P024TVV [1,0,0,0,0,0|3,0,0]=4 322 B9R1.6 C[C@H](c1ccncc1)N 1P0004FL [1,0,0,0,0,0|1,0,0]=2 323 B9R1.6 C[C@H](c1ccncc1)N 1P00DLCH [1,0,0,0,0,0|1,0,0]=2 324 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [1,0,0,0,0,0|2,0,0]=3 325 B9R1.6 C[C@H](c1cnccn1)N 1P000X0F [1,0,0,0,0,0|2,0,0]=3 326 B9R1.6 C[C@H](c1cnccn1)O 1P01AJZ9 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.6 C[C@H](c1ncccn1)N 1P01JV18 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.6 C[C@H](c1ncccn1)O 1P00CKTT [1,0,0,0,0,0|3,0,0]=4 329 B9R1.6 C[C@H](c1nccnc1)N 1P01C72C [1,0,0,0,0,0|2,0,0]=3 330 B9R1.6 C[Si](c1ccccc1)C 1P00358B [1,0,0,0,0,0|0,1,0]=2 331 B9R1.6 ClB(c1ccccc1)Cl 1P004HX5 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.6 ClC(=O)c1ccccc1 1P00374M [1,0,0,0,0,0|2,0,1]=4 333 B9R1.6 ClC(=S)c1ccccc1 1P01E7HC [1,0,0,0,0,0|2,0,1]=4 334 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [1,0,0,0,0,0|2,0,0]=3 335 B9R1.6 ClC(c1ccccn1)Cl 1P00DBTE [1,0,0,0,0,0|3,0,0]=4 336 B9R1.6 ClP(c1ccccc1)Cl 1P0035XX [1,0,0,0,0,0|3,0,0]=4 337 B9R1.6 ClS(=O)c1ccccc1 1P00DHD9 [1,0,0,0,0,0|3,0,0]=4 338 B9R1.6 Cl[I](c1ccccc1)Cl 1P0037A2 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.6 FC(=C)c1ccccc1 1P005W4Z [1,0,0,0,0,0|1,0,2]=4 340 B9R1.6 FC(=O)c1ccccc1 1P00D8I4 [1,0,0,0,0,0|2,0,1]=4 341 B9R1.6 FC(c1ccccc1)Br 1P020M24 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.6 FC(c1ccccc1)F 1P00DCHS [1,0,0,0,0,0|2,0,0]=3 343 B9R1.6 FC(c1ccccn1)F 1P000EX6 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.6 FC(c1cccnc1)F 1P005KXX [1,0,0,0,0,0|3,0,0]=4 345 B9R1.6 FC(c1ccncc1)F 1P003KO8 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.6 NC(=N)c1ccccc1 1P002J4G [1,0,0,0,0,0|1,0,1]=3 347 B9R1.6 NC(=N)c1ccccc1 1P0034Y8 [1,0,0,0,0,0|1,0,1]=3 348 B9R1.6 NC(=N)c1ccccc1 1P003OH8 [1,0,0,0,0,0|1,0,1]=3 349 B9R1.6 NC(=N)c1ccccc1 1P00FJIS [1,0,0,0,0,0|1,0,1]=3 350 B9R1.6 NC(=N)c1ccccn1 1P0035Y9 [1,0,0,0,0,0|2,0,1]=4 351 B9R1.6 NC(=N)c1cccnc1 1P002N4J [1,0,0,0,0,0|2,0,1]=4 352 B9R1.6 NC(=N)c1cccnc1 1P003KCV [1,0,0,0,0,0|2,0,1]=4 353 B9R1.6 NC(=N)c1cccnc1 1P00EEAY [1,0,0,0,0,0|2,0,1]=4 354 B9R1.6 NC(=N)c1ccncc1 1P0035IL [1,0,0,0,0,0|2,0,1]=4 355 B9R1.6 NC(=N)c1ccncc1 1P00EDM3 [1,0,0,0,0,0|2,0,1]=4 356 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [1,0,0,0,0,0|1,0,1]=3 357 B9R1.6 NC(=O)c1ccccn1 1P003U8O [1,0,0,0,0,0|2,0,1]=4 358 B9R1.6 NC(=O)c1cccnc1 1P00IKH0 [1,0,0,0,0,0|2,0,1]=4 359 B9R1.6 NC(=O)c1ccncc1 1P001L8G [1,0,0,0,0,0|2,0,1]=4 360 B9R1.6 NC(=S)c1ccccc1 1P00365I [1,0,0,0,0,0|1,0,1]=3 361 B9R1.6 NC(=S)c1ccccn1 1P00IA0A [1,0,0,0,0,0|2,0,1]=4 362 B9R1.6 NC(=S)c1cccnc1 1P00I915 [1,0,0,0,0,0|2,0,1]=4 363 B9R1.6 NC(=S)c1ccncc1 1P003V92 [1,0,0,0,0,0|2,0,1]=4 364 B9R1.6 NS(=O)c1ccccc1 1P001SKC [1,0,0,0,0,0|2,0,0]=3 365 B9R1.6 O=N(=O)c1ccccc1 1P003TLR [1,0,0,0,0,0|3,0,0]=4 366 B9R1.6 OB(c1ccccc1)O 1P0035XS [1,0,0,0,0,0|3,0,0]=4 367 B9R1.6 OC(=O)c1ccccc1 1P0034YN [1,0,0,0,0,0|2,0,1]=4 368 B9R1.6 OC(=O)c1ccccc1 1P003U1P [1,0,0,0,0,0|2,0,1]=4 369 B9R1.6 OC(=O)c1ccccc1 1P0080KJ [1,0,0,0,0,0|2,0,1]=4 370 B9R1.6 OC(=O)c1ccccc1 1P00GSC1 [1,0,0,0,0,0|2,0,1]=4 371 B9R1.6 OC(=O)c1ccccc1 1P01JV1A [1,0,0,0,0,0|2,0,1]=4 372 B9R1.6 OC(=S)c1ccccc1 1P00365J [1,0,0,0,0,0|2,0,1]=4 373 B9R1.6 OP(=O)c1ccccc1 1P00262L [1,0,0,0,0,0|3,0,0]=4 374 B9R1.6 OS(=O)c1ccccc1 1P00IBDR [1,0,0,0,0,0|3,0,0]=4 375 B9R1.6 O[Se](=O)c1ccccc1 1P003OHL [1,0,0,0,0,0|3,0,0]=4 376 B9R1.6 [O-]C(=O)c1ccccc1 1P001YXL [1,0,0,0,0,0|2,0,1]=4 377 B9R1.6 [O-]C(=O)c1ccccc1 1P00361Z [1,0,0,0,0,0|2,0,1]=4 378 B9R1.6 [O-]C(=O)c1ccccc1 1P003OB0 [1,0,0,0,0,0|2,0,1]=4 379 B9R1.6 [O-]C(=O)c1ccccc1 1P003RRN [1,0,0,0,0,0|2,0,1]=4 380 B9R1.6 [O-]C(=O)c1ccccc1 1P003UCI [1,0,0,0,0,0|2,0,1]=4 381 B9R1.6 [O-]C(=O)c1ccccc1 1P003UPU [1,0,0,0,0,0|2,0,1]=4 382 B9R1.6 [O-]C(=O)c1ccccc1 1P00C9FZ [1,0,0,0,0,0|2,0,1]=4 383 B9R1.6 [O-]C(=O)c1ccccc1 1P00D9FZ [1,0,0,0,0,0|2,0,1]=4 384 B9R1.6 [O-]C(=O)c1ccccc1 1P01DORW [1,0,0,0,0,0|2,0,1]=4 385 B9R1.6 [O-]S(=O)c1ccccc1 1P002RKI [1,0,0,0,0,0|3,0,0]=4 386 B9R1.6 [O-]S(=O)c1ccccc1 1P00388M [1,0,0,0,0,0|3,0,0]=4 387 B9R1.6 [O-]S(=O)c1ccccc1 1P004L8X [1,0,0,0,0,0|3,0,0]=4 388 B9R1.8 BrC#Cc1ccccc1 1P00GZ49 [1,0,0,0,0,0|1,0,2]=4 389 B9R1.8 BrCCc1ccccc1 1P003EKU [1,0,0,0,0,0|1,0,0]=2 390 B9R1.8 BrCCc1ccccn1 1P0033B6 [1,0,0,0,0,0|2,0,0]=3 391 B9R1.8 BrCCc1cccnc1 1P00CJF9 [1,0,0,0,0,0|2,0,0]=3 392 B9R1.8 BrCCc1ccncc1 1P01BGQT [1,0,0,0,0,0|2,0,0]=3 393 B9R1.8 BrCCc1cnccn1 1P01DYXQ [1,0,0,0,0,0|3,0,0]=4 394 B9R1.8 Br\C=C\c1ccccc1 1P003OMN [1,0,0,0,0,0|1,0,2]=4 395 B9R1.8 C=CCc1ccccc1 1P003O6X [1,0,0,0,0,0|1,0,1]=3 396 B9R1.8 C=CCc1cccnc1 1P005DFA [1,0,0,0,0,0|2,0,1]=4 397 B9R1.8 C=COc1ccccc1 1P005W2F [1,0,0,0,0,0|2,0,1]=4 398 B9R1.8 C=CSc1ccccc1 1P0023XU [1,0,0,0,0,0|2,0,1]=4 399 B9R1.8 CC#Cc1ccccc1 1P000515 [1,0,0,0,0,0|1,0,2]=4 400 B9R1.8 CCC[n+]1ccccc1 1P002N7W [1,0,0,0,0,0|2,0,0]=3 401 B9R1.8 CCCc1ccccc1 1P003UGP [1,0,0,0,0,0|1,0,0]=2 402 B9R1.8 CCCc1ccccn1 1P003IDJ [1,0,0,0,0,0|2,0,0]=3 403 B9R1.8 CCCc1cccnc1 1P00DG48 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.8 CCCc1cccnn1 1P01ANOM [1,0,0,0,0,0|3,0,0]=4 405 B9R1.8 CCCc1ccncc1 1P003MH0 [1,0,0,0,0,0|2,0,0]=3 406 B9R1.8 CCCc1cnccn1 1P003BQC [1,0,0,0,0,0|3,0,0]=4 407 B9R1.8 CCNc1ccccc1 1P0035UD [1,0,0,0,0,0|2,0,0]=3 408 B9R1.8 CCNc1ccccn1 1P003FIU [1,0,0,0,0,0|3,0,0]=4 409 B9R1.8 CCNc1cccnc1 1P00CN8W [1,0,0,0,0,0|3,0,0]=4 410 B9R1.8 CCNc1ccncc1 1P00I7EH [1,0,0,0,0,0|3,0,0]=4 411 B9R1.8 CCOc1ccccc1 1P003U4U [1,0,0,0,0,0|2,0,0]=3 412 B9R1.8 CCOc1ccccn1 1P001L8A [1,0,0,0,0,0|3,0,0]=4 413 B9R1.8 CCOc1cccnc1 1P00ANFG [1,0,0,0,0,0|3,0,0]=4 414 B9R1.8 CCOc1ccncc1 1P00C0Z1 [1,0,0,0,0,0|3,0,0]=4 415 B9R1.8 CCSc1ccccc1 1P003QX8 [1,0,0,0,0,0|2,0,0]=3 416 B9R1.8 CCSc1ccccn1 1P002EQQ [1,0,0,0,0,0|3,0,0]=4 417 B9R1.8 CNCc1ccccc1 1P0035T0 [1,0,0,0,0,0|2,0,0]=3 418 B9R1.8 CNCc1ccccn1 1P002L6V [1,0,0,0,0,0|3,0,0]=4 419 B9R1.8 CNCc1ccccn1 1P00H9TS [1,0,0,0,0,0|3,0,0]=4 420 B9R1.8 CNCc1cccnc1 1P003IN0 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.8 CNCc1cccnc1 1P00JLQD [1,0,0,0,0,0|3,0,0]=4 422 B9R1.8 CNCc1ccncc1 1P003TOO [1,0,0,0,0,0|3,0,0]=4 423 B9R1.8 CNCc1ccncc1 1P009DU1 [1,0,0,0,0,0|3,0,0]=4 424 B9R1.8 CNNc1ccccc1 1P00H3DS [1,0,0,0,0,0|3,0,0]=4 425 B9R1.8 COCc1ccccc1 1P003OL0 [1,0,0,0,0,0|2,0,0]=3 426 B9R1.8 COCc1ccccn1 1P002O7L [1,0,0,0,0,0|3,0,0]=4 427 B9R1.8 COCc1ccncc1 1P00FGIA [1,0,0,0,0,0|3,0,0]=4 428 B9R1.8 CSCc1ccccc1 1P003OL2 [1,0,0,0,0,0|2,0,0]=3 429 B9R1.8 CSCc1ccccn1 1P00K0NO [1,0,0,0,0,0|3,0,0]=4 430 B9R1.8 CSCc1cccnc1 1P01DX2J [1,0,0,0,0,0|3,0,0]=4 431 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [1,0,0,0,0,0|1,0,2]=4 432 B9R1.8 C\C=C\c1ccccc1 1P003VFF [1,0,0,0,0,0|1,0,2]=4 433 B9R1.8 C\N=C\c1ccccc1 1P003T8J [1,0,0,0,0,0|2,0,1]=4 434 B9R1.8 ClCCc1ccccc1 1P0032NZ [1,0,0,0,0,0|1,0,0]=2 435 B9R1.8 ClCCc1ccccn1 1P00AQES [1,0,0,0,0,0|2,0,0]=3 436 B9R1.8 ClCCc1ccccn1 1P00CB7K [1,0,0,0,0,0|2,0,0]=3 437 B9R1.8 ClCCc1cccnc1 1P00CLVG [1,0,0,0,0,0|2,0,0]=3 438 B9R1.8 ClCCc1ccncc1 1P00G7HW [1,0,0,0,0,0|2,0,0]=3 439 B9R1.8 ClCSc1ccccc1 1P003PAU [1,0,0,0,0,0|2,0,0]=3 440 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [1,0,0,0,0,0|1,1,0]=3 441 B9R1.8 IC#Cc1ccccc1 1P006HO6 [1,0,0,0,0,0|1,0,2]=4 442 B9R1.8 ICCc1ccccc1 1P001ZMC [1,0,0,0,0,0|1,0,0]=2 443 B9R1.8 ICCc1cccnc1 1P01APKH [1,0,0,0,0,0|2,0,0]=3 444 B9R1.8 N#CC[n+]1ccccc1 1P003SUV [1,0,0,0,0,0|1,0,2]=4 445 B9R1.8 N#CC[n+]1ccccc1 1P01EYAJ [1,0,0,0,0,0|1,0,2]=4 446 B9R1.8 N#CCc1ccccn1 1P0033WF [1,0,0,0,0,0|1,0,2]=4 447 B9R1.8 N#CCc1cccnc1 1P003FL3 [1,0,0,0,0,0|1,0,2]=4 448 B9R1.8 N#CCc1ccncc1 1P000W7U [1,0,0,0,0,0|1,0,2]=4 449 B9R1.8 N#CCc1ccncc1 1P003MHC [1,0,0,0,0,0|1,0,2]=4 450 B9R1.8 N#CNc1ccccc1 1P00F3HT [1,0,0,0,0,0|1,0,2]=4 451 B9R1.8 N#COc1ccccc1 1P003U5M [1,0,0,0,0,0|1,0,2]=4 452 B9R1.8 N#CSc1ccccc1 1P00E15Y [1,0,0,0,0,0|1,0,2]=4 453 B9R1.8 NCCc1ccccc1 1P001OVX [1,0,0,0,0,0|0,0,0]=1 454 B9R1.8 NCCc1ccccc1 1P00AL3F [1,0,0,0,0,0|0,0,0]=1 455 B9R1.8 NCCc1ccccn1 1P0033BC [1,0,0,0,0,0|1,0,0]=2 456 B9R1.8 NCCc1cccnc1 1P0031LS [1,0,0,0,0,0|1,0,0]=2 457 B9R1.8 NCCc1cccnc1 1P007RI3 [1,0,0,0,0,0|1,0,0]=2 458 B9R1.8 NCCc1cccnc1 1P00G4HF [1,0,0,0,0,0|1,0,0]=2 459 B9R1.8 NCCc1ccncc1 1P0011CE [1,0,0,0,0,0|1,0,0]=2 460 B9R1.8 NCCc1ccncc1 1P00EB7D [1,0,0,0,0,0|1,0,0]=2 461 B9R1.8 NCCc1ccncn1 1P00G8NQ [1,0,0,0,0,0|2,0,0]=3 462 B9R1.8 NCCc1ccnnc1 1P01FJWH [1,0,0,0,0,0|2,0,0]=3 463 B9R1.8 NCCc1cnccn1 1P00D8UG [1,0,0,0,0,0|2,0,0]=3 464 B9R1.8 NCCc1cnccn1 1P00HZ0H [1,0,0,0,0,0|2,0,0]=3 465 B9R1.8 NCCc1cncnc1 1P00G7HI [1,0,0,0,0,0|2,0,0]=3 466 B9R1.8 NCCc1cncnc1 1P01B7EM [1,0,0,0,0,0|2,0,0]=3 467 B9R1.8 NCCc1ncccn1 1P00IKQC [1,0,0,0,0,0|2,0,0]=3 468 B9R1.8 NNCc1ccccc1 1P002AS6 [1,0,0,0,0,0|1,0,0]=2 469 B9R1.8 NNCc1ccccc1 1P003OLM [1,0,0,0,0,0|1,0,0]=2 470 B9R1.8 NNCc1ccccc1 1P00VUSV [1,0,0,0,0,0|1,0,0]=2 471 B9R1.8 NNCc1ccccn1 1P00BJY5 [1,0,0,0,0,0|2,0,0]=3 472 B9R1.8 NNCc1ccccn1 1P00IG9V [1,0,0,0,0,0|2,0,0]=3 473 B9R1.8 NNCc1cccnc1 1P0033XM [1,0,0,0,0,0|2,0,0]=3 474 B9R1.8 NNCc1cccnc1 1P00EM3P [1,0,0,0,0,0|2,0,0]=3 475 B9R1.8 NNCc1cccnc1 1P00FT0X [1,0,0,0,0,0|2,0,0]=3 476 B9R1.8 NNCc1ccncc1 1P00GVVL [1,0,0,0,0,0|2,0,0]=3 477 B9R1.8 NNCc1cnccn1 1P0080ZM [1,0,0,0,0,0|3,0,0]=4 478 B9R1.8 NNCc1cnccn1 1P00H0K1 [1,0,0,0,0,0|3,0,0]=4 479 B9R1.8 NNCc1cncnc1 1P00HX2E [1,0,0,0,0,0|3,0,0]=4 480 B9R1.8 NOCc1ccccc1 1P0035W0 [1,0,0,0,0,0|1,0,0]=2 481 B9R1.8 NOCc1ccccc1 1P003TWF [1,0,0,0,0,0|1,0,0]=2 482 B9R1.8 NOCc1ccccn1 1P01C2PM [1,0,0,0,0,0|2,0,0]=3 483 B9R1.8 NOCc1cccnc1 1P00I7X0 [1,0,0,0,0,0|2,0,0]=3 484 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [1,0,0,0,0,0|1,0,1]=3 485 B9R1.8 O=CCc1ccccc1 1P00170M [1,0,0,0,0,0|1,0,1]=3 486 B9R1.8 O=CNc1ccccc1 1P003R5D [1,0,0,0,0,0|2,0,1]=4 487 B9R1.8 O=COc1ccccc1 1P0035XN [1,0,0,0,0,0|2,0,1]=4 488 B9R1.8 O=S=Nc1ccccc1 1P003TUI [1,0,0,0,0,0|3,0,0]=4 489 B9R1.8 OCCc1ccccc1 1P0033W3 [1,0,0,0,0,0|1,0,0]=2 490 B9R1.8 OCCc1ccccn1 1P0038HY [1,0,0,0,0,0|2,0,0]=3 491 B9R1.8 OCCc1cccnc1 1P003FB1 [1,0,0,0,0,0|2,0,0]=3 492 B9R1.8 OCCc1ccncc1 1P003FL5 [1,0,0,0,0,0|2,0,0]=3 493 B9R1.8 OCCc1ccncc1 1P00CHZZ [1,0,0,0,0,0|2,0,0]=3 494 B9R1.8 OCCc1ccncn1 1P005N7W [1,0,0,0,0,0|3,0,0]=4 495 B9R1.8 OCCc1cnccn1 1P003F8L [1,0,0,0,0,0|3,0,0]=4 496 B9R1.8 OCCc1cncnc1 1P008CL3 [1,0,0,0,0,0|3,0,0]=4 497 B9R1.8 OCCc1ncccn1 1P000AX7 [1,0,0,0,0,0|3,0,0]=4 498 B9R1.8 ONCc1ccccc1 1P002ZBQ [1,0,0,0,0,0|2,0,0]=3 499 B9R1.8 ONCc1ccccc1 1P003920 [1,0,0,0,0,0|2,0,0]=3 500 B9R1.8 O\N=C/c1ccccc1 1P00EASV [1,0,0,0,0,0|2,0,1]=4 501 B9R1.8 O\N=C\c1ccccc1 1P003OH6 [1,0,0,0,0,0|2,0,1]=4 502 B9R1.8 S=C=Nc1ccccc1 1P003RMC [1,0,0,0,0,0|2,0,1]=4 503 B9R1.8 SCCc1ccccc1 1P00DCX2 [1,0,0,0,0,0|1,0,0]=2 504 B9R1.8 SCCc1ccccn1 1P0029Y7 [1,0,0,0,0,0|2,0,0]=3 505 B9R1.8 SCCc1ccncc1 1P003MH7 [1,0,0,0,0,0|2,0,0]=3 506 B9R1.8 SCCc1cnccn1 1P003C4B [1,0,0,0,0,0|3,0,0]=4 507 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [1,0,0,0,0,0|2,0,0]=3 508 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [1,0,0,0,0,0|3,0,0]=4 509 B9R1.8 [C-]#[N+]Cc1ccncc1 1P00EBP6 [1,0,0,0,0,0|3,0,0]=4 510 B9R1.8 [CH2-]\C=C\c1ccccc1 1P0035WW [1,0,0,0,0,0|1,0,2]=4 511 B9R1.8 [Cu]C#Cc1ccccc1 1P000WOP [1,0,0,0,0,0|1,0,2]=4 512 B9R1.8 [N-]=[N+]=Cc1ccccc1 1P008PXQ [1,0,0,0,0,0|1,0,2]=4 513 B9R1.8 [N-]=[N+]=Nc1ccccc1 1P003OEN [1,0,0,0,0,0|2,0,1]=4 514 B11R1.7 BrCC(c1ccccc1)(C)C 1P01BAKY [0,1,0,0,0,0|1,0,0]=2 515 B11R1.7 BrCC(c1ccccc1)(F)F 1P0083UC [0,1,0,0,0,0|2,0,0]=3 516 B11R1.7 BrCS(=O)(=O)c1ccccc1 1P002FVT [0,1,0,0,0,0|3,0,0]=4 517 B11R1.7 C#CC(c1ccccc1)(C)C 1P00BFJ1 [0,1,0,0,0,0|1,0,1]=3 518 B11R1.7 C#CC(c1ccccc1)(O)C 1P000WZC [0,1,0,0,0,0|1,0,1]=3 519 B11R1.7 C#CC(c1ccccn1)(C)C 1P028AI0 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.7 C#CC(c1cccnc1)(C)C 1P028YWA [0,1,0,0,0,0|2,0,1]=4 521 B11R1.7 C#CC(c1ccncc1)(C)C 1P028UDX [0,1,0,0,0,0|2,0,1]=4 522 B11R1.7 C=C[Si](c1ccccc1)(C)C 1P0039NF [0,1,0,0,0,0|1,1,1]=4 523 B11R1.7 CCC(c1ccccc1)(C)C 1P002A7K [0,1,0,0,0,0|1,0,0]=2 524 B11R1.7 CCC(c1ccccc1)(N)C 1P00VUZE [0,1,0,0,0,0|1,0,0]=2 525 B11R1.7 CCC(c1ccccc1)(O)C 1P001P8N [0,1,0,0,0,0|1,0,0]=2 526 B11R1.7 CCC(c1ncccn1)(N)C 1P01DTT1 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.7 CCS(=O)(=N)c1ccccc1 1P00AEDV [0,1,0,0,0,0|3,0,0]=4 528 B11R1.7 CCS(=O)(=N)c1ccccc1 1P01EI8M [0,1,0,0,0,0|3,0,0]=4 529 B11R1.7 CCS(=O)(=O)c1ccccc1 1P00E9UN [0,1,0,0,0,0|3,0,0]=4 530 B11R1.7 CNC(c1ccccc1)(C)C 1P01B9WJ [0,1,0,0,0,0|2,0,0]=3 531 B11R1.7 CNC(c1ccccc1)(C)C 1P01C5RR [0,1,0,0,0,0|2,0,0]=3 532 B11R1.7 CO[Si](c1ccccc1)(C)C 1P0026UM [0,1,0,0,0,0|2,1,0]=4 533 B11R1.7 ClCC(c1ccccc1)(C)C 1P003TFM [0,1,0,0,0,0|1,0,0]=2 534 B11R1.7 ClCS(=O)(=O)c1ccccc1 1P003PAV [0,1,0,0,0,0|3,0,0]=4 535 B11R1.7 ClC[Si](c1ccccc1)(C)C 1P0027Y8 [0,1,0,0,0,0|1,1,0]=3 536 B11R1.7 FCS(=O)(=O)c1ccccc1 1P002JXR [0,1,0,0,0,0|3,0,0]=4 537 B11R1.7 ICS(=O)(=O)c1ccccc1 1P01IQ45 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.7 N#CC(c1ccccc1)(C)C 1P000JCU [0,1,0,0,0,0|0,0,2]=3 539 B11R1.7 N#CC(c1ccccc1)(Cl)Cl 1P00I8FQ [0,1,0,0,0,0|1,0,2]=4 540 B11R1.7 N#CC(c1ccccc1)(F)C 1P01ACVJ [0,1,0,0,0,0|0,0,2]=3 541 B11R1.7 N#CC(c1ccccc1)(F)F 1P002D2N [0,1,0,0,0,0|1,0,2]=4 542 B11R1.7 N#CC(c1ccccc1)(N)C 1P00I8SK [0,1,0,0,0,0|0,0,2]=3 543 B11R1.7 N#CC(c1ccncc1)(C)C 1P0056R5 [0,1,0,0,0,0|1,0,2]=4 544 B11R1.7 NCC(c1ccccc1)(C)C 1P00BDOZ [0,1,0,0,0,0|0,0,0]=1 545 B11R1.7 NCC(c1ccccc1)(C)C 1P01B5MY [0,1,0,0,0,0|0,0,0]=1 546 B11R1.7 NCC(c1ccccc1)(F)C 1P028ZA3 [0,1,0,0,0,0|0,0,0]=1 547 B11R1.7 NCC(c1ccccc1)(F)F 1P00CLVE [0,1,0,0,0,0|1,0,0]=2 548 B11R1.7 NCC(c1ccccc1)(F)F 1P00DLXV [0,1,0,0,0,0|1,0,0]=2 549 B11R1.7 NCC(c1ccccc1)(N)C 1P00E13O [0,1,0,0,0,0|0,0,0]=1 550 B11R1.7 NCC(c1ccccc1)(O)C 1P002556 [0,1,0,0,0,0|0,0,0]=1 551 B11R1.7 NCC(c1ccccn1)(C)C 1P00AKXV [0,1,0,0,0,0|1,0,0]=2 552 B11R1.7 NCC(c1ccccn1)(F)F 1P00C46G [0,1,0,0,0,0|2,0,0]=3 553 B11R1.7 NCC(c1ccccn1)(F)F 1P00DBK4 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.7 NCC(c1ccccn1)(F)F 1P01JVFG [0,1,0,0,0,0|2,0,0]=3 555 B11R1.7 NCC(c1cccnc1)(C)C 1P01C3R1 [0,1,0,0,0,0|1,0,0]=2 556 B11R1.7 NCC(c1cccnc1)(F)F 1P00EUG7 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.7 NCC(c1ccncc1)(C)C 1P01A4DN [0,1,0,0,0,0|1,0,0]=2 558 B11R1.7 NCC(c1nccnc1)(C)C 1P00MDJV [0,1,0,0,0,0|2,0,0]=3 559 B11R1.7 NC[Si](c1ccccc1)(C)C 1P01ACKE [0,1,0,0,0,0|0,1,0]=2 560 B11R1.7 NNS(=O)(=O)c1ccccc1 1P00IDJP [0,1,0,0,0,0|3,0,0]=4 561 B11R1.7 O=CC(c1ccccc1)(C)C 1P01A32D [0,1,0,0,0,0|1,0,1]=3 562 B11R1.7 O=CC(c1ccccc1)(Cl)C 1P01BDN1 [0,1,0,0,0,0|1,0,1]=3 563 B11R1.7 O=CC(c1ccccc1)(F)C 1P027TZT [0,1,0,0,0,0|1,0,1]=3 564 B11R1.7 O=CC(c1ccccn1)(C)C 1P021KBH [0,1,0,0,0,0|2,0,1]=4 565 B11R1.7 O=CC(c1ccncc1)(C)C 1P0290QB [0,1,0,0,0,0|2,0,1]=4 566 B11R1.7 OCC(c1ccccc1)(C)C 1P00BGLD [0,1,0,0,0,0|1,0,0]=2 567 B11R1.7 OCC(c1ccccc1)(F)F 1P000UAD [0,1,0,0,0,0|2,0,0]=3 568 B11R1.7 OCC(c1ccccc1)(N)C 1P00H3N7 [0,1,0,0,0,0|1,0,0]=2 569 B11R1.7 OCC(c1ccccc1)(N)C 1P00I0RM [0,1,0,0,0,0|1,0,0]=2 570 B11R1.7 OCC(c1ccccn1)(C)C 1P01DWTT [0,1,0,0,0,0|2,0,0]=3 571 B11R1.7 OCC(c1ccccn1)(F)F 1P00BCL2 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.7 OCC(c1ccccn1)(N)C 1P028UM9 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.7 OCC(c1ccccn1)(O)C 1P027VCP [0,1,0,0,0,0|2,0,0]=3 574 B11R1.7 OCC(c1cccnc1)(F)F 1P023PKU [0,1,0,0,0,0|3,0,0]=4 575 B11R1.7 OCC(c1cccnc1)(O)C 1P027UQY [0,1,0,0,0,0|2,0,0]=3 576 B11R1.7 OCC(c1ccncc1)(O)C 1P028WMG [0,1,0,0,0,0|2,0,0]=3 577 B11R1.7 OC[C@@](c1ccccc1)(N)C 1P01X9O4 [0,1,0,0,0,0|1,0,0]=2 578 B11R1.7 OC[C@](c1ccccc1)(N)C 1P01XCAG [0,1,0,0,0,0|1,0,0]=2 579 B11R1.7 OOC(c1ccccc1)(C)C 1P003700 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.12 BrCC(c1ccccc1)CBr 1P004VCB [0,1,0,0,0,0|1,0,0]=2 581 B11R1.12 BrCC(c1ccccc1)OC 1P0012XV [0,1,0,0,0,0|1,0,0]=2 582 B11R1.12 BrC[C@H](c1ccccc1)OC 1P028A3K [0,1,0,0,0,0|1,0,0]=2 583 B11R1.12 CC=C(c1ccccc1)C=O 1P003IBN [0,1,0,0,0,0|1,0,2]=4 584 B11R1.12 CCB(c1cccnc1)CC 1P0037G6 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.12 CCC(c1ccccc1)C#N 1P003IC0 [0,1,0,0,0,0|0,0,2]=3 586 B11R1.12 CCC(c1ccccc1)C=O 1P006VRA [0,1,0,0,0,0|1,0,1]=3 587 B11R1.12 CCC(c1ccccc1)CBr 1P00CNP9 [0,1,0,0,0,0|1,0,0]=2 588 B11R1.12 CCC(c1ccccc1)CN 1P002ARC [0,1,0,0,0,0|0,0,0]=1 589 B11R1.12 CCC(c1ccccc1)CN 1P00VTS4 [0,1,0,0,0,0|0,0,0]=1 590 B11R1.12 CCC(c1ccccc1)CO 1P0029E7 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.12 CCC(c1ccccc1)NC 1P003TMS [0,1,0,0,0,0|1,0,0]=2 592 B11R1.12 CCC(c1ccccc1)NC 1P00J3I8 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.12 CCC(c1ccccn1)CC 1P003FAX [0,1,0,0,0,0|2,0,0]=3 594 B11R1.12 CCC(c1ccccn1)NC 1P005WXZ [0,1,0,0,0,0|2,0,0]=3 595 B11R1.12 CCC(c1cccnc1)C#N 1P024ZLC [0,1,0,0,0,0|1,0,2]=4 596 B11R1.12 CCC(c1cccnc1)NC 1P005WXV [0,1,0,0,0,0|2,0,0]=3 597 B11R1.12 CCC(c1ccncc1)CC 1P003KI3 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.12 CCC(c1ccncc1)NC 1P01AKEW [0,1,0,0,0,0|2,0,0]=3 599 B11R1.12 CCN(c1ccccc1)C#N 1P01BVI0 [0,1,0,0,0,0|1,0,2]=4 600 B11R1.12 CCN(c1ccccc1)CC 1P003T07 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.12 CCN(c1ccccc1)CC 1P00EDAT [0,1,0,0,0,0|2,0,0]=3 602 B11R1.12 CCN(c1ccccc1)N=O 1P00EFSJ [0,1,0,0,0,0|3,0,0]=4 603 B11R1.12 CCN(c1ccccn1)CC 1P003HM4 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.12 CCP(c1ccccc1)CC 1P001SFJ [0,1,0,0,0,0|2,0,0]=3 605 B11R1.12 CC[C@@H](c1ccccc1)NC 1P027V0B [0,1,0,0,0,0|1,0,0]=2 606 B11R1.12 CC[C@H](c1ccccc1)NC 1P0292B5 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.12 CNC(c1cccnc1)CO 1P027U45 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.12 COB(c1ccccc1)OC 1P00A5PJ [0,1,0,0,0,0|3,0,0]=4 609 B11R1.12 COC(c1ccccc1)C#N 1P00JRVV [0,1,0,0,0,0|0,0,2]=3 610 B11R1.12 COC(c1ccccc1)OC 1P0034Y6 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.12 COP(c1ccccc1)OC 1P002YWM [0,1,0,0,0,0|3,0,0]=4 612 B11R1.12 CSC(=NC)c1ccccc1 1P01A712 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.12 FC[C@@H](c1ccccc1)NC 1P028J88 [0,1,0,0,0,0|1,0,0]=2 614 B11R1.12 FC[C@H](c1ccccc1)NC 1P028F07 [0,1,0,0,0,0|1,0,0]=2 615 B11R1.12 N#CC(c1ccccc1)C#N 1P0030I6 [0,1,0,0,0,0|0,0,3]=4 616 B11R1.12 NCC(c1ccccc1)CN 1P01B8B0 [0,1,0,0,0,0|0,0,0]=1 617 B11R1.12 NCC(c1ccccc1)CO 1P00EFDY [0,1,0,0,0,0|0,0,0]=1 618 B11R1.12 NCC(c1ccccc1)CO 1P01XEA8 [0,1,0,0,0,0|0,0,0]=1 619 B11R1.12 NCC(c1ccccc1)OC 1P00JRVO [0,1,0,0,0,0|0,0,0]=1 620 B11R1.12 NCC(c1ccccc1)OC 1P019X26 [0,1,0,0,0,0|0,0,0]=1 621 B11R1.12 NCC(c1cccnc1)CO 1P01B8XR [0,1,0,0,0,0|1,0,0]=2 622 B11R1.12 NCC(c1cccnc1)CO 1P01C532 [0,1,0,0,0,0|1,0,0]=2 623 B11R1.12 NC\C(=C\Cl)\c1ccccc1 1P00IE2V [0,1,0,0,0,0|0,0,2]=3 624 B11R1.12 O=CC(c1ccccc1)C#N 1P00EAR2 [0,1,0,0,0,0|0,0,3]=4 625 B11R1.12 O=CC(c1ccccc1)C=O 1P002U8T [0,1,0,0,0,0|1,0,2]=4 626 B11R1.12 OCC(c1ccccc1)CO 1P001PME [0,1,0,0,0,0|1,0,0]=2 627 B11R1.12 OCC(c1ccccc1)NN 1P01BG9A [0,1,0,0,0,0|1,0,0]=2 628 B11R1.12 OCC(c1ccccc1)OC 1P00C29Q [0,1,0,0,0,0|1,0,0]=2 629 B11R1.12 OCC(c1ccccn1)CO 1P00D8GB [0,1,0,0,0,0|2,0,0]=3 630 B11R1.12 OCC(c1cccnc1)CO 1P01B8KU [0,1,0,0,0,0|2,0,0]=3 631 B11R1.12 OC[C@@H](c1ccccc1)NC 1P00GAP3 [0,1,0,0,0,0|1,0,0]=2 632 B11R1.12 OC[C@H](c1ccccc1)NC 1P00232I [0,1,0,0,0,0|1,0,0]=2 633 B11R1.12 OC[C@H](c1ccccc1)NC 1P009ZQ6 [0,1,0,0,0,0|1,0,0]=2 634 B11R1.12 SCC(c1ccccc1)OC 1P028BB3 [0,1,0,0,0,0|1,0,0]=2 635 B11R1.16 BrC(c1ccccc1)N=C=O 1P028ZA9 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.16 BrC=CC(c1ccccc1)C 1P02911R [0,1,0,0,0,0|1,0,1]=3 637 B11R1.16 BrCCC(c1ccccc1)O 1P01BU72 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.16 C#CCC(c1ccccn1)O 1P00E8H0 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.16 C=CCC(=O)c1ccccc1 1P00F3VL [0,1,0,0,0,0|2,0,1]=4 640 B11R1.16 C=CCC(c1ccccc1)N 1P019ZKP [0,1,0,0,0,0|2,0,0]=3 641 B11R1.16 C=CCC(c1ccccc1)O 1P003F2U [0,1,0,0,0,0|2,0,0]=3 642 B11R1.16 C=CCC(c1ccccn1)O 1P01BV6A [0,1,0,0,0,0|3,0,0]=4 643 B11R1.16 C=CCC(c1ccncc1)N 1P00GAPD [0,1,0,0,0,0|3,0,0]=4 644 B11R1.16 C=CCC(c1ccncc1)N 1P01AJ1W [0,1,0,0,0,0|3,0,0]=4 645 B11R1.16 C=CC[C@@H](c1ccccc1)N 1P028TS3 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.16 C=CC[C@H](c1ccccc1)N 1P000GXM [0,1,0,0,0,0|2,0,0]=3 647 B11R1.16 C=CC[C@H](c1ccccc1)N 1P001104 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.16 CC(c1ccccc1)CC#C 1P01XITB [0,1,0,0,0,0|1,0,0]=2 649 B11R1.16 CC(c1ccccc1)CC#N 1P01A5MS [0,1,0,0,0,0|0,0,1]=2 650 B11R1.16 CC(c1ccccc1)N=C=O 1P00AULA [0,1,0,0,0,0|1,0,1]=3 651 B11R1.16 CC(c1ccccc1)N=C=S 1P003F35 [0,1,0,0,0,0|1,0,1]=3 652 B11R1.16 CCCC(=O)c1ccccc1 1P003P38 [0,1,0,0,0,0|2,0,1]=4 653 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [0,1,0,0,0,0|2,0,0]=3 654 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [0,1,0,0,0,0|2,0,0]=3 655 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [0,1,0,0,0,0|2,0,0]=3 656 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [0,1,0,0,0,0|2,0,0]=3 657 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [0,1,0,0,0,0|2,0,0]=3 658 B11R1.16 CCCC(c1ccccn1)N 1P006PDX [0,1,0,0,0,0|3,0,0]=4 659 B11R1.16 CCCC(c1ccccn1)O 1P028Z4O [0,1,0,0,0,0|3,0,0]=4 660 B11R1.16 CCCC(c1cccnc1)N 1P00IGO1 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.16 CCCC(c1ccncc1)N 1P0094A8 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.16 CCCC(c1ccncc1)N 1P01DUNN [0,1,0,0,0,0|3,0,0]=4 663 B11R1.16 CCNC(=O)c1ccccc1 1P00EFY2 [0,1,0,0,0,0|2,0,1]=4 664 B11R1.16 CCNC(c1ccccc1)C 1P0004S9 [0,1,0,0,0,0|1,0,0]=2 665 B11R1.16 CCNC(c1cccnc1)C 1P00EFBF [0,1,0,0,0,0|2,0,0]=3 666 B11R1.16 CCNC(c1cccnc1)C 1P028RTA [0,1,0,0,0,0|2,0,0]=3 667 B11R1.16 CCNC(c1ccncc1)C 1P01AKDL [0,1,0,0,0,0|2,0,0]=3 668 B11R1.16 CCOC(=N)c1ccccc1 1P003QV0 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.16 CCOC(=O)c1ccccc1 1P003QV1 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.16 CCOP(=O)c1ccccc1 1P002QZM [0,1,0,0,0,0|3,0,0]=4 671 B11R1.16 CN(c1ccccc1)CC#C 1P0071U0 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.16 CNCC(c1ccccc1)C 1P00E9JV [0,1,0,0,0,0|0,0,0]=1 673 B11R1.16 CNCC(c1ccccc1)C 1P00GWGF [0,1,0,0,0,0|0,0,0]=1 674 B11R1.16 CNCC(c1ccccc1)O 1P003QA3 [0,1,0,0,0,0|1,0,0]=2 675 B11R1.16 CNCC(c1cccnc1)O 1P01AKS6 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.16 CNC[C@H](c1ccccc1)C 1P027VJM [0,1,0,0,0,0|0,0,0]=1 677 B11R1.16 CNNC(=O)c1ccccc1 1P00AVBP [0,1,0,0,0,0|2,0,1]=4 678 B11R1.16 COCC(=O)c1ccccc1 1P003I0C [0,1,0,0,0,0|2,0,1]=4 679 B11R1.16 COCC(c1ccccc1)Br 1P01EM9D [0,1,0,0,0,0|2,0,0]=3 680 B11R1.16 COCC(c1ccccc1)N 1P00BBXF [0,1,0,0,0,0|2,0,0]=3 681 B11R1.16 COCC(c1ccccc1)N 1P01A9V2 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.16 COCC(c1ccccc1)O 1P01EMW6 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.16 COCC(c1ccccc1)S 1P01DZAM [0,1,0,0,0,0|2,0,0]=3 684 B11R1.16 COCC(c1ccccn1)N 1P00J267 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.16 COCC(c1ccccn1)N 1P00J3PD [0,1,0,0,0,0|3,0,0]=4 686 B11R1.16 COCC(c1ccncc1)N 1P01PNYD [0,1,0,0,0,0|3,0,0]=4 687 B11R1.16 COC[C@@H](c1ccccc1)N 1P00EG20 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.16 COC[C@@H](c1ccccc1)N 1P00IBV5 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.16 COC[C@@H](c1ccccn1)N 1P028NWT [0,1,0,0,0,0|3,0,0]=4 690 B11R1.16 COC[C@@H](c1cccnc1)N 1P028NCG [0,1,0,0,0,0|3,0,0]=4 691 B11R1.16 COC[C@H](c1ccccc1)N 1P006PB9 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.16 COC[C@H](c1ccccc1)N 1P01JX6V [0,1,0,0,0,0|2,0,0]=3 693 B11R1.16 COC[C@H](c1ccccn1)N 1P01FJSH [0,1,0,0,0,0|3,0,0]=4 694 B11R1.16 COC[C@H](c1cccnc1)N 1P028NBA [0,1,0,0,0,0|3,0,0]=4 695 B11R1.16 CSCC(=O)c1ccccc1 1P01A91B [0,1,0,0,0,0|2,0,1]=4 696 B11R1.16 CSCC(c1ccccc1)N 1P01AK47 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.16 CSCC(c1ccccc1)N 1P028BW7 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.16 C[C@@H](c1ccccc1)N=C=O 1P003CTY [0,1,0,0,0,0|1,0,1]=3 699 B11R1.16 C[C@@H](c1ccccc1)N=C=S 1P003RO0 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.16 C[C@H](c1ccccc1)N=C=O 1P0032O4 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.16 C[C@H](c1ccccc1)N=C=S 1P003POZ [0,1,0,0,0,0|1,0,1]=3 702 B11R1.16 C[C@H](c1ccncc1)N=[N+]=[N-] 1P01DWZN [0,1,0,0,0,0|2,0,1]=4 703 B11R1.16 ClCCC(=O)c1ccccc1 1P003JS2 [0,1,0,0,0,0|2,0,1]=4 704 B11R1.16 ClCCC(c1ccccc1)Br 1P00BETV [0,1,0,0,0,0|2,0,0]=3 705 B11R1.16 ClCCC(c1ccccc1)O 1P000P0F [0,1,0,0,0,0|2,0,0]=3 706 B11R1.16 ClCCN(c1ccccc1)C 1P00B4QF [0,1,0,0,0,0|2,0,0]=3 707 B11R1.16 ClCCS(=O)c1ccccc1 1P00C42H [0,1,0,0,0,0|3,0,0]=4 708 B11R1.16 ClCC[C@@H](c1ccccc1)O 1P000210 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.16 ClCC[C@H](c1ccccc1)O 1P000211 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.16 ClCOC(=O)c1ccccc1 1P00DA2O [0,1,0,0,0,0|2,0,1]=4 711 B11R1.16 ICOC(=O)c1ccccc1 1P001BHI [0,1,0,0,0,0|2,0,1]=4 712 B11R1.16 N#CCC(=O)c1ccccc1 1P00IBBJ [0,1,0,0,0,0|1,0,2]=4 713 B11R1.16 NC(c1ccccc1)CC#C 1P0091EK [0,1,0,0,0,0|2,0,0]=3 714 B11R1.16 NC(c1ccccc1)CC#N 1P019ZNM [0,1,0,0,0,0|1,0,1]=3 715 B11R1.16 NC(c1ccccc1)CC#N 1P01A76R [0,1,0,0,0,0|1,0,1]=3 716 B11R1.16 NCCC(=O)c1ccccc1 1P01KXES [0,1,0,0,0,0|1,0,1]=3 717 B11R1.16 NCCC(c1ccccc1)C 1P0075ZN [0,1,0,0,0,0|0,0,0]=1 718 B11R1.16 NCCC(c1ccccc1)C 1P00J1J3 [0,1,0,0,0,0|0,0,0]=1 719 B11R1.16 NCCC(c1ccccc1)N 1P01A736 [0,1,0,0,0,0|1,0,0]=2 720 B11R1.16 NCCC(c1ccccc1)O 1P000FT8 [0,1,0,0,0,0|1,0,0]=2 721 B11R1.16 NCCC(c1ccccc1)O 1P006YZE [0,1,0,0,0,0|1,0,0]=2 722 B11R1.16 NCCC(c1ccncc1)C 1P01B9D4 [0,1,0,0,0,0|1,0,0]=2 723 B11R1.16 NCCN(c1ccccc1)C 1P001X6M [0,1,0,0,0,0|1,0,0]=2 724 B11R1.16 NCCN(c1ccccc1)C 1P00I7NL [0,1,0,0,0,0|1,0,0]=2 725 B11R1.16 NCCN(c1ccccn1)C 1P01FJST [0,1,0,0,0,0|2,0,0]=3 726 B11R1.16 NCCS(=O)c1ccccc1 1P01AHMQ [0,1,0,0,0,0|2,0,0]=3 727 B11R1.16 NCC[C@@H](c1ccccc1)O 1P000UKF [0,1,0,0,0,0|1,0,0]=2 728 B11R1.16 NCC[C@H](c1ccccc1)O 1P0019XH [0,1,0,0,0,0|1,0,0]=2 729 B11R1.16 N[C@@H](c1ccccc1)CC#N 1P01AGQM [0,1,0,0,0,0|1,0,1]=3 730 B11R1.16 O=CC=C(c1ccccc1)C 1P000PPZ [0,1,0,0,0,0|1,0,2]=4 731 B11R1.16 O=CCC(c1ccccc1)C 1P001TO2 [0,1,0,0,0,0|1,0,0]=2 732 B11R1.16 O=CNC(c1ccccc1)C 1P00FC79 [0,1,0,0,0,0|1,0,1]=3 733 B11R1.16 OC(c1ccccc1)CC#C 1P00201G [0,1,0,0,0,0|2,0,0]=3 734 B11R1.16 OC(c1ccccc1)CC#N 1P007DUP [0,1,0,0,0,0|1,0,1]=3 735 B11R1.16 OCCC(=O)c1ccccc1 1P0036LN [0,1,0,0,0,0|2,0,1]=4 736 B11R1.16 OCCC(c1ccccc1)C 1P003KBY [0,1,0,0,0,0|1,0,0]=2 737 B11R1.16 OCCC(c1ccccc1)N 1P001DZI [0,1,0,0,0,0|2,0,0]=3 738 B11R1.16 OCCC(c1ccccc1)O 1P00DGFN [0,1,0,0,0,0|2,0,0]=3 739 B11R1.16 OCCC(c1ccccn1)N 1P02903M [0,1,0,0,0,0|3,0,0]=4 740 B11R1.16 OCCC(c1ccccn1)N 1P0292S9 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.16 OCCC(c1ccccn1)O 1P00CGEO [0,1,0,0,0,0|3,0,0]=4 742 B11R1.16 OCCC(c1ccncc1)C 1P01EZ0E [0,1,0,0,0,0|2,0,0]=3 743 B11R1.16 OCCC(c1ccncc1)N 1P01B31E [0,1,0,0,0,0|3,0,0]=4 744 B11R1.16 OCCN(c1ccccc1)C 1P003BJB [0,1,0,0,0,0|2,0,0]=3 745 B11R1.16 OCCN(c1ccccn1)C 1P0017KJ [0,1,0,0,0,0|3,0,0]=4 746 B11R1.16 OCCN(c1ccncc1)C 1P007SXZ [0,1,0,0,0,0|3,0,0]=4 747 B11R1.16 OCC[C@@H](c1ccccc1)N 1P004Y9D [0,1,0,0,0,0|2,0,0]=3 748 B11R1.16 OCC[C@H](c1ccccc1)N 1P00385E [0,1,0,0,0,0|2,0,0]=3 749 B11R1.16 OCC[C@H](c1cccnc1)N 1P028MXF [0,1,0,0,0,0|3,0,0]=4 750 B11R1.16 OCNC(=O)c1ccccc1 1P003SV5 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.16 O[C@@H](c1ccccc1)CC#N 1P00FWTX [0,1,0,0,0,0|1,0,1]=3 752 B11R1.16 O[C@H](c1ccccc1)CC#N 1P01EMW1 [0,1,0,0,0,0|1,0,1]=3 753 B11R1.16 [N-]=[N+]=N[C@@H](c1ccccn1)C 1P01B35L [0,1,0,0,0,0|2,0,1]=4 754 B11R1.16 [N-]=[N+]=N[C@@H](c1cccnc1)C 1P01C39C [0,1,0,0,0,0|2,0,1]=4 755 B11R1.16 [N-]=[N+]=N[C@H](c1cccnc1)C 1P01C417 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.22 *CC(c1ccc(cc1)Br)* 1P00JKZF [0,1,0,0,0,0|2,0,0]=3 757 B11R1.22 BrC(c1ccc(cc1)Br)C#N 1P027VOB [0,1,0,0,0,0|1,0,2]=4 758 B11R1.22 BrC(c1ccc(cc1)Cl)C#N 1P00DD1Y [0,1,0,0,0,0|1,0,2]=4 759 B11R1.22 BrC(c1ccc(cc1)F)C#N 1P028VBX [0,1,0,0,0,0|1,0,2]=4 760 B11R1.22 BrCC(=C)c1ccc(cc1)Cl 1P004435 [0,1,0,0,0,0|1,0,2]=4 761 B11R1.22 BrCC(=O)c1ccc(cc1)Br 1P00659A [0,1,0,0,0,0|2,0,1]=4 762 B11R1.22 BrCC(=O)c1ccc(cc1)C 1P00E9H8 [0,1,0,0,0,0|2,0,1]=4 763 B11R1.22 BrCC(=O)c1ccc(cc1)Cl 1P003LJM [0,1,0,0,0,0|2,0,1]=4 764 B11R1.22 BrCC(=O)c1ccc(cc1)F 1P003H4U [0,1,0,0,0,0|2,0,1]=4 765 B11R1.22 BrCC(=O)c1ccc(cc1)I 1P00C0QB [0,1,0,0,0,0|2,0,1]=4 766 B11R1.22 BrCC(=O)c1ccc(cc1)O 1P002QB3 [0,1,0,0,0,0|2,0,1]=4 767 B11R1.22 BrCC(c1ccc(cc1)Br)F 1P01DVO3 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.22 BrCC(c1ccc(cc1)Br)O 1P01B32O [0,1,0,0,0,0|2,0,0]=3 769 B11R1.22 BrCC(c1ccc(cc1)Cl)C 1P01BLOD [0,1,0,0,0,0|1,0,0]=2 770 B11R1.22 BrCC(c1ccc(cc1)Cl)O 1P01C2RX [0,1,0,0,0,0|2,0,0]=3 771 B11R1.22 BrCC(c1ccc(cc1)F)Br 1P00CMW8 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.22 BrCC(c1ccc(cc1)F)C 1P01BLO8 [0,1,0,0,0,0|1,0,0]=2 773 B11R1.22 BrC[C@@H](c1ccc(cc1)Br)O 1P01DJ70 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.22 BrC[C@@H](c1ccc(cc1)F)O 1P024ICK [0,1,0,0,0,0|2,0,0]=3 775 B11R1.22 C=CC(c1ccc(cc1)Br)N 1P01KKS0 [0,1,0,0,0,0|2,0,1]=4 776 B11R1.22 C=CC(c1ccc(cc1)Br)N 1P01KL4T [0,1,0,0,0,0|2,0,1]=4 777 B11R1.22 C=CC(c1ccc(cc1)Cl)O 1P028VZ7 [0,1,0,0,0,0|2,0,1]=4 778 B11R1.22 C=CC(c1ccc(cc1)F)O 1P028WQC [0,1,0,0,0,0|2,0,1]=4 779 B11R1.22 CC(c1ccc(cc1)Br)C#N 1P00CLSN [0,1,0,0,0,0|0,0,2]=3 780 B11R1.22 CC(c1ccc(cc1)C)C#N 1P01AAZC [0,1,0,0,0,0|0,0,2]=3 781 B11R1.22 CC(c1ccc(cc1)Cl)C#N 1P00BK75 [0,1,0,0,0,0|0,0,2]=3 782 B11R1.22 CC(c1ccc(cc1)F)C#N 1P00DWK5 [0,1,0,0,0,0|0,0,2]=3 783 B11R1.22 CC(c1ccc(cc1)N)C#N 1P002WKJ [0,1,0,0,0,0|0,0,2]=3 784 B11R1.22 CCC(=C)c1ccc(cc1)Br 1P0072WY [0,1,0,0,0,0|1,0,2]=4 785 B11R1.22 CCC(=O)c1ccc(cc1)Br 1P007H5R [0,1,0,0,0,0|2,0,1]=4 786 B11R1.22 CCC(=O)c1ccc(cc1)C 1P0037SF [0,1,0,0,0,0|2,0,1]=4 787 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1P003LOZ [0,1,0,0,0,0|2,0,1]=4 788 B11R1.22 CCC(=O)c1ccc(cc1)F 1P003LWZ [0,1,0,0,0,0|2,0,1]=4 789 B11R1.22 CCC(=O)c1ccc(cc1)I 1P00CM5O [0,1,0,0,0,0|2,0,1]=4 790 B11R1.22 CCC(=O)c1ccc(cc1)N 1P005HAZ [0,1,0,0,0,0|2,0,1]=4 791 B11R1.22 CCC(=O)c1ccc(cc1)O 1P003M0H [0,1,0,0,0,0|2,0,1]=4 792 B11R1.22 CCC(c1ccc(cc1)Br)N 1P005H3D [0,1,0,0,0,0|2,0,0]=3 793 B11R1.22 CCC(c1ccc(cc1)Br)N 1P019N35 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.22 CCC(c1ccc(cc1)Br)O 1P00DD7W [0,1,0,0,0,0|2,0,0]=3 795 B11R1.22 CCC(c1ccc(cc1)C)N 1P0020AU [0,1,0,0,0,0|2,0,0]=3 796 B11R1.22 CCC(c1ccc(cc1)C)N 1P00J1NC [0,1,0,0,0,0|2,0,0]=3 797 B11R1.22 CCC(c1ccc(cc1)C)O 1P003DH8 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.22 CCC(c1ccc(cc1)Cl)Br 1P019YD3 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00G4ZX [0,1,0,0,0,0|2,0,0]=3 800 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00GAQI [0,1,0,0,0,0|2,0,0]=3 801 B11R1.22 CCC(c1ccc(cc1)Cl)O 1P009HVZ [0,1,0,0,0,0|2,0,0]=3 802 B11R1.22 CCC(c1ccc(cc1)F)Cl 1P01AKB3 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.22 CCC(c1ccc(cc1)F)N 1P005SWG [0,1,0,0,0,0|2,0,0]=3 804 B11R1.22 CCC(c1ccc(cc1)F)N 1P0096RS [0,1,0,0,0,0|2,0,0]=3 805 B11R1.22 CCC(c1ccc(cc1)F)O 1P00FETH [0,1,0,0,0,0|2,0,0]=3 806 B11R1.22 CCC(c1ccc(cc1)N)C 1P002ZWD [0,1,0,0,0,0|1,0,0]=2 807 B11R1.22 CCC(c1ccc(cc1)O)C 1P003MHH [0,1,0,0,0,0|1,0,0]=2 808 B11R1.22 CCC(c1ccc(cc1)O)C 1P00BEN8 [0,1,0,0,0,0|1,0,0]=2 809 B11R1.22 CCC(c1ccc(cc1)O)N 1P0009DJ [0,1,0,0,0,0|2,0,0]=3 810 B11R1.22 CCC(c1ccc(cc1)O)O 1P01AI01 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.22 CCC(c1ccc(cn1)Br)O 1P0291O7 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.22 CCC(c1ccc(cn1)C)N 1P008VM9 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.22 CCC(c1ccc(cn1)F)O 1P01BB0C [0,1,0,0,0,0|3,0,0]=4 814 B11R1.22 CCC(c1ccc(nc1)Br)O 1P028F7N [0,1,0,0,0,0|3,0,0]=4 815 B11R1.22 CCC(c1ncc(cn1)N)C 1P01BHMA [0,1,0,0,0,0|3,0,0]=4 816 B11R1.22 CCN(c1ccc(cc1)N)C 1P00BI80 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.22 CCN(c1ccc(cn1)Br)C 1P0091LQ [0,1,0,0,0,0|3,0,0]=4 818 B11R1.22 CC[C@@H](c1ccc(cc1)Br)N 1P0096MH [0,1,0,0,0,0|2,0,0]=3 819 B11R1.22 CC[C@@H](c1ccc(cc1)C)N 1P000DPU [0,1,0,0,0,0|2,0,0]=3 820 B11R1.22 CC[C@@H](c1ccc(cc1)Cl)N 1P000VZ0 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P000F7I [0,1,0,0,0,0|2,0,0]=3 822 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P00DLXZ [0,1,0,0,0,0|2,0,0]=3 823 B11R1.22 CC[C@@H](c1ccc(cc1)F)O 1P00AKPY [0,1,0,0,0,0|2,0,0]=3 824 B11R1.22 CC[C@@H](c1ccc(cc1)I)N 1P01XCCG [0,1,0,0,0,0|2,0,0]=3 825 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P00GAQB [0,1,0,0,0,0|2,0,0]=3 826 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P01DUMG [0,1,0,0,0,0|2,0,0]=3 827 B11R1.22 CC[C@H](c1ccc(cc1)Cl)N 1P001KQZ [0,1,0,0,0,0|2,0,0]=3 828 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P000DVC [0,1,0,0,0,0|2,0,0]=3 829 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P00BLNR [0,1,0,0,0,0|2,0,0]=3 830 B11R1.22 CC[C@H](c1ccc(cc1)F)O 1P00AQ92 [0,1,0,0,0,0|2,0,0]=3 831 B11R1.22 CC[C@H](c1ccc(cc1)I)N 1P01XCKG [0,1,0,0,0,0|2,0,0]=3 832 B11R1.22 CNC(c1ccc(cc1)Br)C 1P01KXN7 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.22 CNC(c1ccc(cc1)C)C 1P019MEB [0,1,0,0,0,0|2,0,0]=3 834 B11R1.22 CNC(c1ccc(cc1)Cl)C 1P00CNEG [0,1,0,0,0,0|2,0,0]=3 835 B11R1.22 CNC(c1ccc(cc1)Cl)C 1P00DD5O [0,1,0,0,0,0|2,0,0]=3 836 B11R1.22 CNC(c1ccc(cc1)F)C 1P00EEPX [0,1,0,0,0,0|2,0,0]=3 837 B11R1.22 CNC(c1ccc(cc1)F)C 1P00J2DO [0,1,0,0,0,0|2,0,0]=3 838 B11R1.22 CNC(c1ccc(cc1)O)C 1P019LPK [0,1,0,0,0,0|2,0,0]=3 839 B11R1.22 CN[C@@H](c1ccc(cc1)Br)C 1P0289KJ [0,1,0,0,0,0|2,0,0]=3 840 B11R1.22 CN[C@@H](c1ccc(cc1)Cl)C 1P00BJTZ [0,1,0,0,0,0|2,0,0]=3 841 B11R1.22 CN[C@@H](c1ccc(cc1)F)C 1P006J4B [0,1,0,0,0,0|2,0,0]=3 842 B11R1.22 CN[C@@H](c1ccc(cc1)F)C 1P01XDH6 [0,1,0,0,0,0|2,0,0]=3 843 B11R1.22 CN[C@H](c1ccc(cc1)Br)C 1P00232G [0,1,0,0,0,0|2,0,0]=3 844 B11R1.22 CN[C@H](c1ccc(cc1)Br)C 1P01DUMF [0,1,0,0,0,0|2,0,0]=3 845 B11R1.22 CN[C@H](c1ccc(cc1)Cl)C 1P01BSMG [0,1,0,0,0,0|2,0,0]=3 846 B11R1.22 CN[C@H](c1ccc(cc1)Cl)C 1P01DE94 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.22 CN[C@H](c1ccc(cc1)F)C 1P027X0Q [0,1,0,0,0,0|2,0,0]=3 848 B11R1.22 COC(c1ccc(cc1)Br)C 1P00EJP8 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.22 COC(c1ccc(cc1)N)C 1P01EILJ [0,1,0,0,0,0|2,0,0]=3 850 B11R1.22 COC(c1ccc(cc1)O)C 1P01GDS9 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.22 ClC(c1ccc(cc1)Cl)C#N 1P01B9PW [0,1,0,0,0,0|1,0,2]=4 852 B11R1.22 ClCC(=O)c1ccc(cc1)Br 1P00BXRI [0,1,0,0,0,0|2,0,1]=4 853 B11R1.22 ClCC(=O)c1ccc(cc1)C 1P019IAR [0,1,0,0,0,0|2,0,1]=4 854 B11R1.22 ClCC(=O)c1ccc(cc1)Cl 1P003HAT [0,1,0,0,0,0|2,0,1]=4 855 B11R1.22 ClCC(=O)c1ccc(cc1)F 1P003BNO [0,1,0,0,0,0|2,0,1]=4 856 B11R1.22 ClCC(=O)c1ccc(cc1)I 1P00CRRB [0,1,0,0,0,0|2,0,1]=4 857 B11R1.22 ClCC(=O)c1ccc(cc1)N 1P002T4U [0,1,0,0,0,0|2,0,1]=4 858 B11R1.22 ClCC(=O)c1ccc(cc1)O 1P003HAV [0,1,0,0,0,0|2,0,1]=4 859 B11R1.22 ClCC(c1ccc(cc1)Cl)O 1P00EB5B [0,1,0,0,0,0|2,0,0]=3 860 B11R1.22 ClC[C@@H](c1ccc(cc1)Br)O 1P019QXR [0,1,0,0,0,0|2,0,0]=3 861 B11R1.22 ClC[C@@H](c1ccc(cc1)C)O 1P01BFAY [0,1,0,0,0,0|2,0,0]=3 862 B11R1.22 ClC[C@@H](c1ccc(cc1)Cl)O 1P019QXO [0,1,0,0,0,0|2,0,0]=3 863 B11R1.22 ClC[C@@H](c1ccc(cc1)F)O 1P000TDN [0,1,0,0,0,0|2,0,0]=3 864 B11R1.22 ClC[C@H](c1ccc(cc1)Br)O 1P019QXQ [0,1,0,0,0,0|2,0,0]=3 865 B11R1.22 ClC[C@H](c1ccc(cc1)C)O 1P01BFA2 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.22 ClC[C@H](c1ccc(cc1)Cl)O 1P019QXP [0,1,0,0,0,0|2,0,0]=3 867 B11R1.22 ClC[C@H](c1ccc(cc1)F)O 1P000TDO [0,1,0,0,0,0|2,0,0]=3 868 B11R1.22 FC(c1ccc(cc1)Cl)C#N 1P01BHU7 [0,1,0,0,0,0|1,0,2]=4 869 B11R1.22 FCC(=O)c1ccc(cc1)Br 1P00CU58 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.22 FCC(=O)c1ccc(cc1)Cl 1P00384K [0,1,0,0,0,0|2,0,1]=4 871 B11R1.22 FCC(=O)c1ccc(cc1)F 1P00CNPR [0,1,0,0,0,0|2,0,1]=4 872 B11R1.22 FCC(c1ccc(cc1)Br)N 1P01EJPR [0,1,0,0,0,0|2,0,0]=3 873 B11R1.22 FCC(c1ccc(cc1)Br)O 1P01DW52 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.22 FCC(c1ccc(cc1)C)N 1P01B31Y [0,1,0,0,0,0|2,0,0]=3 875 B11R1.22 FCC(c1ccc(cc1)C)O 1P02902W [0,1,0,0,0,0|2,0,0]=3 876 B11R1.22 FCC(c1ccc(cc1)Cl)N 1P01FJRG [0,1,0,0,0,0|2,0,0]=3 877 B11R1.22 FCC(c1ccc(cc1)F)N 1P019QO4 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.22 FCC(c1ccc(cc1)F)N 1P01BSNV [0,1,0,0,0,0|2,0,0]=3 879 B11R1.22 FCC(c1ccc(cc1)F)O 1P01EC3U [0,1,0,0,0,0|2,0,0]=3 880 B11R1.22 FCC(c1ccc(nc1)Cl)O 1P028WRD [0,1,0,0,0,0|3,0,0]=4 881 B11R1.22 NC(c1ccc(cc1)Br)C#C 1P028ICK [0,1,0,0,0,0|2,0,1]=4 882 B11R1.22 NC(c1ccc(cc1)Br)C#N 1P001XJR [0,1,0,0,0,0|1,0,2]=4 883 B11R1.22 NC(c1ccc(cc1)Br)C#N 1P024G3R [0,1,0,0,0,0|1,0,2]=4 884 B11R1.22 NC(c1ccc(cc1)Cl)C#C 1P01B8F9 [0,1,0,0,0,0|2,0,1]=4 885 B11R1.22 NC(c1ccc(cc1)Cl)C#N 1P00VTD3 [0,1,0,0,0,0|1,0,2]=4 886 B11R1.22 NC(c1ccc(cc1)F)C#C 1P028LYU [0,1,0,0,0,0|2,0,1]=4 887 B11R1.22 NC(c1ccc(cc1)F)C#N 1P00EBQ0 [0,1,0,0,0,0|1,0,2]=4 888 B11R1.22 NCC(=O)c1ccc(cc1)Br 1P003GSM [0,1,0,0,0,0|1,0,1]=3 889 B11R1.22 NCC(=O)c1ccc(cc1)Cl 1P00DEKX [0,1,0,0,0,0|1,0,1]=3 890 B11R1.22 NCC(=O)c1ccc(cc1)Cl 1P00ID79 [0,1,0,0,0,0|1,0,1]=3 891 B11R1.22 NCC(=O)c1ccc(cc1)F 1P00I8ZN [0,1,0,0,0,0|1,0,1]=3 892 B11R1.22 NCC(=O)c1ccc(cc1)F 1P01A1CC [0,1,0,0,0,0|1,0,1]=3 893 B11R1.22 NCC(=O)c1ccc(cc1)O 1P002BAP [0,1,0,0,0,0|1,0,1]=3 894 B11R1.22 NCC(=O)c1ccc(cn1)Br 1P01C0QA [0,1,0,0,0,0|2,0,1]=4 895 B11R1.22 NCC(=O)c1ccc(cn1)F 1P028B7N [0,1,0,0,0,0|2,0,1]=4 896 B11R1.22 NCC(=O)c1ccc(nc1)Cl 1P01BSP4 [0,1,0,0,0,0|2,0,1]=4 897 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00BNUD [0,1,0,0,0,0|0,0,0]=1 898 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00I5CR [0,1,0,0,0,0|0,0,0]=1 899 B11R1.22 NCC(c1ccc(cc1)Br)F 1P01DX4X [0,1,0,0,0,0|1,0,0]=2 900 B11R1.22 NCC(c1ccc(cc1)Br)O 1P00C93N [0,1,0,0,0,0|1,0,0]=2 901 B11R1.22 NCC(c1ccc(cc1)Br)O 1P00G5UD [0,1,0,0,0,0|1,0,0]=2 902 B11R1.22 NCC(c1ccc(cc1)C)C 1P01AK9Z [0,1,0,0,0,0|0,0,0]=1 903 B11R1.22 NCC(c1ccc(cc1)C)O 1P00DFV0 [0,1,0,0,0,0|1,0,0]=2 904 B11R1.22 NCC(c1ccc(cc1)C)O 1P01A1CF [0,1,0,0,0,0|1,0,0]=2 905 B11R1.22 NCC(c1ccc(cc1)Cl)N 1P01B8TX [0,1,0,0,0,0|1,0,0]=2 906 B11R1.22 NCC(c1ccc(cc1)Cl)O 1P00COXE [0,1,0,0,0,0|1,0,0]=2 907 B11R1.22 NCC(c1ccc(cc1)Cl)O 1P00IBMC [0,1,0,0,0,0|1,0,0]=2 908 B11R1.22 NCC(c1ccc(cc1)F)C 1P019XO4 [0,1,0,0,0,0|0,0,0]=1 909 B11R1.22 NCC(c1ccc(cc1)F)O 1P006ZZ6 [0,1,0,0,0,0|1,0,0]=2 910 B11R1.22 NCC(c1ccc(cc1)F)O 1P00I8D9 [0,1,0,0,0,0|1,0,0]=2 911 B11R1.22 NCC(c1ccc(cc1)O)O 1P005F75 [0,1,0,0,0,0|1,0,0]=2 912 B11R1.22 NCC(c1ccc(cn1)F)C 1P02917M [0,1,0,0,0,0|1,0,0]=2 913 B11R1.22 NC[C@@H](c1ccc(cc1)Br)O 1P028WO8 [0,1,0,0,0,0|1,0,0]=2 914 B11R1.22 NC[C@@H](c1ccc(cc1)Cl)O 1P01AM6U [0,1,0,0,0,0|1,0,0]=2 915 B11R1.22 NC[C@@H](c1ccc(cc1)F)O 1P01BEXA [0,1,0,0,0,0|1,0,0]=2 916 B11R1.22 NC[C@H](c1ccc(cc1)Br)O 1P028X1H [0,1,0,0,0,0|1,0,0]=2 917 B11R1.22 NC[C@H](c1ccc(cc1)Cl)O 1P00CL7P [0,1,0,0,0,0|1,0,0]=2 918 B11R1.22 NC[C@H](c1ccc(cc1)F)O 1P01BEX0 [0,1,0,0,0,0|1,0,0]=2 919 B11R1.22 NN=C(c1ccc(cc1)Br)N 1P01FJ5A [0,1,0,0,0,0|2,0,1]=4 920 B11R1.22 NNC(=O)c1ccc(cc1)Br 1P003LG9 [0,1,0,0,0,0|2,0,1]=4 921 B11R1.22 NNC(=O)c1ccc(cc1)C 1P003UHW [0,1,0,0,0,0|2,0,1]=4 922 B11R1.22 NNC(=O)c1ccc(cc1)Cl 1P00IA0X [0,1,0,0,0,0|2,0,1]=4 923 B11R1.22 NNC(=O)c1ccc(cc1)F 1P003LVO [0,1,0,0,0,0|2,0,1]=4 924 B11R1.22 NNC(=O)c1ccc(cc1)I 1P0076ZB [0,1,0,0,0,0|2,0,1]=4 925 B11R1.22 NNC(=O)c1ccc(cc1)N 1P0034D7 [0,1,0,0,0,0|2,0,1]=4 926 B11R1.22 NNC(=O)c1ccc(cc1)O 1P003LZP [0,1,0,0,0,0|2,0,1]=4 927 B11R1.22 NNC(=S)c1ccc(cc1)Cl 1P01DJVX [0,1,0,0,0,0|2,0,1]=4 928 B11R1.22 NNC(=S)c1ccc(cc1)F 1P00IEH4 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.22 NNC(c1ccc(cc1)Br)C 1P0170AG [0,1,0,0,0,0|1,0,0]=2 930 B11R1.22 NNC(c1ccc(cc1)Br)C 1P01A800 [0,1,0,0,0,0|1,0,0]=2 931 B11R1.22 NNC(c1ccc(cc1)Cl)C 1P01A9KK [0,1,0,0,0,0|1,0,0]=2 932 B11R1.22 NNC(c1ccc(cc1)Cl)C 1P01E17P [0,1,0,0,0,0|1,0,0]=2 933 B11R1.22 O=CC(c1ccc(cc1)Br)C 1P01C728 [0,1,0,0,0,0|1,0,1]=3 934 B11R1.22 O=CC(c1ccc(cc1)C)C 1P01BY6R [0,1,0,0,0,0|1,0,1]=3 935 B11R1.22 O=CC(c1ccc(cc1)F)C 1P01A39H [0,1,0,0,0,0|1,0,1]=3 936 B11R1.22 O=CC(c1ccc(cc1)I)C 1P01DDJW [0,1,0,0,0,0|1,0,1]=3 937 B11R1.22 O=CN(c1ccc(cc1)C)C 1P003SWO [0,1,0,0,0,0|2,0,1]=4 938 B11R1.22 O=CN(c1ccc(cc1)Cl)C 1P003LOA [0,1,0,0,0,0|2,0,1]=4 939 B11R1.22 OC(c1ccc(cc1)C)C#C 1P00FUBA [0,1,0,0,0,0|2,0,1]=4 940 B11R1.22 OC(c1ccc(cc1)Cl)C#C 1P00BHIJ [0,1,0,0,0,0|2,0,1]=4 941 B11R1.22 OC(c1ccc(cc1)F)C#C 1P01BFX8 [0,1,0,0,0,0|2,0,1]=4 942 B11R1.22 OC(c1ccc(cc1)O)C#N 1P000VL3 [0,1,0,0,0,0|1,0,2]=4 943 B11R1.22 OCC(=C)c1ccc(cc1)F 1P027YVS [0,1,0,0,0,0|1,0,2]=4 944 B11R1.22 OCC(=O)c1ccc(cc1)Br 1P007FUC [0,1,0,0,0,0|2,0,1]=4 945 B11R1.22 OCC(=O)c1ccc(cc1)C 1P00BY5W [0,1,0,0,0,0|2,0,1]=4 946 B11R1.22 OCC(=O)c1ccc(cc1)Cl 1P00BCDF [0,1,0,0,0,0|2,0,1]=4 947 B11R1.22 OCC(=O)c1ccc(cc1)I 1P005DWL [0,1,0,0,0,0|2,0,1]=4 948 B11R1.22 OCC(=O)c1ccc(cc1)O 1P00ELBV [0,1,0,0,0,0|2,0,1]=4 949 B11R1.22 OCC(c1ccc(cc1)Br)C 1P01BDW6 [0,1,0,0,0,0|1,0,0]=2 950 B11R1.22 OCC(c1ccc(cc1)Br)N 1P002DUI [0,1,0,0,0,0|2,0,0]=3 951 B11R1.22 OCC(c1ccc(cc1)Br)N 1P00I0IB [0,1,0,0,0,0|2,0,0]=3 952 B11R1.22 OCC(c1ccc(cc1)Br)O 1P00IHHB [0,1,0,0,0,0|2,0,0]=3 953 B11R1.22 OCC(c1ccc(cc1)C)N 1P00APMR [0,1,0,0,0,0|2,0,0]=3 954 B11R1.22 OCC(c1ccc(cc1)C)N 1P020LA5 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.22 OCC(c1ccc(cc1)Cl)N 1P0027R0 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.22 OCC(c1ccc(cc1)Cl)N 1P01A4ST [0,1,0,0,0,0|2,0,0]=3 957 B11R1.22 OCC(c1ccc(cc1)F)C 1P01DWZF [0,1,0,0,0,0|1,0,0]=2 958 B11R1.22 OCC(c1ccc(cc1)F)N 1P001CQS [0,1,0,0,0,0|2,0,0]=3 959 B11R1.22 OCC(c1ccc(cc1)F)N 1P009ZPR [0,1,0,0,0,0|2,0,0]=3 960 B11R1.22 OCC(c1ccc(cc1)F)O 1P00AZQQ [0,1,0,0,0,0|2,0,0]=3 961 B11R1.22 OCC(c1ccc(cc1)I)O 1P0292Z9 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.22 OCC(c1ccc(cc1)O)N 1P01XBLJ [0,1,0,0,0,0|2,0,0]=3 963 B11R1.22 OCC(c1ccc(cc1)O)O 1P00BUYO [0,1,0,0,0,0|2,0,0]=3 964 B11R1.22 OCC(c1ccc(cn1)C)N 1P0282UU [0,1,0,0,0,0|3,0,0]=4 965 B11R1.22 OCC(c1ccc(cn1)C)N 1P0287YA [0,1,0,0,0,0|3,0,0]=4 966 B11R1.22 OCC(c1ccc(nc1)C)N 1P01DUNQ [0,1,0,0,0,0|3,0,0]=4 967 B11R1.22 OC[C@@H](c1ccc(cc1)Br)N 1P002FUR [0,1,0,0,0,0|2,0,0]=3 968 B11R1.22 OC[C@@H](c1ccc(cc1)Br)N 1P00CAT4 [0,1,0,0,0,0|2,0,0]=3 969 B11R1.22 OC[C@@H](c1ccc(cc1)Br)O 1P024VC5 [0,1,0,0,0,0|2,0,0]=3 970 B11R1.22 OC[C@@H](c1ccc(cc1)C)N 1P00ELZT [0,1,0,0,0,0|2,0,0]=3 971 B11R1.22 OC[C@@H](c1ccc(cc1)C)N 1P01KKKE [0,1,0,0,0,0|2,0,0]=3 972 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)N 1P003AU5 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)N 1P009ZOA [0,1,0,0,0,0|2,0,0]=3 974 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)O 1P006USY [0,1,0,0,0,0|2,0,0]=3 975 B11R1.22 OC[C@@H](c1ccc(cc1)F)N 1P0020EW [0,1,0,0,0,0|2,0,0]=3 976 B11R1.22 OC[C@@H](c1ccc(cc1)I)N 1P024G3H [0,1,0,0,0,0|2,0,0]=3 977 B11R1.22 OC[C@@H](c1ccc(cn1)Br)N 1P01DUNI [0,1,0,0,0,0|3,0,0]=4 978 B11R1.22 OC[C@@H](c1ccc(nc1)Cl)N 1P01DFI9 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.22 OC[C@H](c1ccc(cc1)Br)N 1P00CAT6 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.22 OC[C@H](c1ccc(cc1)Br)N 1P01DUMK [0,1,0,0,0,0|2,0,0]=3 981 B11R1.22 OC[C@H](c1ccc(cc1)Br)O 1P024FUV [0,1,0,0,0,0|2,0,0]=3 982 B11R1.22 OC[C@H](c1ccc(cc1)C)N 1P00CMIN [0,1,0,0,0,0|2,0,0]=3 983 B11R1.22 OC[C@H](c1ccc(cc1)Cl)N 1P002FIM [0,1,0,0,0,0|2,0,0]=3 984 B11R1.22 OC[C@H](c1ccc(cc1)Cl)N 1P0096MP [0,1,0,0,0,0|2,0,0]=3 985 B11R1.22 OC[C@H](c1ccc(cc1)F)N 1P000WY1 [0,1,0,0,0,0|2,0,0]=3 986 B11R1.22 OC[C@H](c1ccc(cc1)F)N 1P00C41E [0,1,0,0,0,0|2,0,0]=3 987 B11R1.22 OC[C@H](c1ccc(cc1)I)N 1P01KL18 [0,1,0,0,0,0|2,0,0]=3 988 B11R1.22 OC[C@H](c1ccc(cc1)O)N 1P01DL5N [0,1,0,0,0,0|2,0,0]=3 989 B11R1.22 OC[C@H](c1ccc(cn1)C)N 1P0280ZJ [0,1,0,0,0,0|3,0,0]=4 990 B11R1.22 OC[C@H](c1ccc(cn1)C)N 1P0288VS [0,1,0,0,0,0|3,0,0]=4 991 B11R1.22 ON=C(c1ccc(cc1)F)C 1P00C8LR [0,1,0,0,0,0|2,0,1]=4 992 B11R1.22 ONC(c1ccc(cc1)C)C 1P00ATXM [0,1,0,0,0,0|2,0,0]=3 993 B11R1.22 ONC(c1ccc(cc1)F)C 1P01A40W [0,1,0,0,0,0|2,0,0]=3 994 B11R1.22 O[C@@H](c1ccc(cc1)Br)C#N 1P027UOU [0,1,0,0,0,0|1,0,2]=4 995 B11R1.22 O\N=C(\c1ccc(cc1)C)/C 1P00BVHM [0,1,0,0,0,0|2,0,1]=4 996 B11R1.22 O\N=C(\c1ccc(cc1)Cl)/C 1P007RQ2 [0,1,0,0,0,0|2,0,1]=4 997 B11R1.22 O\N=C(\c1ccc(cc1)O)/C 1P00C9W3 [0,1,0,0,0,0|2,0,1]=4 998 B11R1.22 [NH3+]CC(=O)c1ccc(cc1)C 1P00DCZ1 [0,1,0,0,0,0|1,0,2]=4 999 B11R1.23 BrCC(=O)c1cccc(c1)Br 1P0033E5 [0,1,0,0,0,0|2,0,1]=4 1000 B11R1.23 BrCC(=O)c1cccc(c1)C 1P00DHC0 [0,1,0,0,0,0|2,0,1]=4 1001 B11R1.23 BrCC(=O)c1cccc(c1)Cl 1P003JRO [0,1,0,0,0,0|2,0,1]=4 1002 B11R1.23 BrCC(=O)c1cccc(c1)F 1P003H38 [0,1,0,0,0,0|2,0,1]=4 1003 B11R1.23 BrCC(=O)c1cccc(c1)I 1P00ELQ1 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.23 BrCC(=O)c1cccc(c1)O 1P002QB4 [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.23 BrCC(c1cccc(c1)Cl)C 1P01BCLB [0,1,0,0,0,0|1,0,0]=2 1006 B11R1.23 BrCC(c1cccc(c1)F)C 1P01BLO7 [0,1,0,0,0,0|1,0,0]=2 1007 B11R1.23 C#CC(c1cccc(c1)Br)N 1P028G9L [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.23 C#CC(c1cccc(c1)Br)O 1P00I5ZG [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.23 C#CC(c1cccc(c1)Cl)O 1P00I5ZE [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.23 C#CC(c1cccc(c1)F)O 1P00I4HQ [0,1,0,0,0,0|2,0,1]=4 1011 B11R1.23 C=CC(c1cccc(c1)C)N 1P01QPKK [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.23 CC(c1cccc(n1)F)CN 1P027U1P [0,1,0,0,0,0|1,0,0]=2 1013 B11R1.23 CCC(=O)c1cccc(c1)Br 1P002BVT [0,1,0,0,0,0|2,0,1]=4 1014 B11R1.23 CCC(=O)c1cccc(c1)C 1P003SLJ [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.23 CCC(=O)c1cccc(c1)Cl 1P003J94 [0,1,0,0,0,0|2,0,1]=4 1016 B11R1.23 CCC(=O)c1cccc(c1)F 1P00I8ZC [0,1,0,0,0,0|2,0,1]=4 1017 B11R1.23 CCC(=O)c1cccc(c1)N 1P000PXT [0,1,0,0,0,0|2,0,1]=4 1018 B11R1.23 CCC(=O)c1cccc(c1)O 1P0038C9 [0,1,0,0,0,0|2,0,1]=4 1019 B11R1.23 CCC(c1cccc(c1)Br)O 1P00FF2T [0,1,0,0,0,0|2,0,0]=3 1020 B11R1.23 CCC(c1cccc(c1)C)N 1P0096O8 [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.23 CCC(c1cccc(c1)C)N 1P01ASWV [0,1,0,0,0,0|2,0,0]=3 1022 B11R1.23 CCC(c1cccc(c1)Cl)N 1P00CJA3 [0,1,0,0,0,0|2,0,0]=3 1023 B11R1.23 CCC(c1cccc(c1)Cl)O 1P00CS7V [0,1,0,0,0,0|2,0,0]=3 1024 B11R1.23 CCC(c1cccc(c1)F)N 1P01KZ3R [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.23 CCC(c1cccc(c1)I)O 1P021UEN [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.23 CCC(c1cccc(c1)N)C 1P01BVDJ [0,1,0,0,0,0|1,0,0]=2 1027 B11R1.23 CCC(c1cccc(c1)N)O 1P01QU9R [0,1,0,0,0,0|2,0,0]=3 1028 B11R1.23 CCC(c1cccc(c1)O)N 1P01XCRJ [0,1,0,0,0,0|2,0,0]=3 1029 B11R1.23 CCC(c1cccc(c1)O)N 1P024H08 [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.23 CCC(c1cccc(n1)C)N 1P008VZ2 [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.23 CCC(c1cccc(n1)C)N 1P028KN5 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.23 CCC(c1ccnc(c1)Cl)O 1P01BB7Y [0,1,0,0,0,0|3,0,0]=4 1033 B11R1.23 CCC(c1nccc(n1)Cl)C 1P01DZ25 [0,1,0,0,0,0|3,0,0]=4 1034 B11R1.23 CCN(c1cccc(c1)N)C 1P00HBVW [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.23 CC[C@@H](c1cccc(c1)Br)N 1P00EM0Y [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.23 CC[C@@H](c1cccc(c1)Br)N 1P00GAOA [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N 1P024FXL [0,1,0,0,0,0|2,0,0]=3 1038 B11R1.23 CC[C@@H](c1cccc(c1)Cl)O 1P00AKPZ [0,1,0,0,0,0|2,0,0]=3 1039 B11R1.23 CC[C@@H](c1cccc(c1)F)N 1P000VZ1 [0,1,0,0,0,0|2,0,0]=3 1040 B11R1.23 CC[C@@H](c1cccc(c1)O)N 1P01JV6A [0,1,0,0,0,0|2,0,0]=3 1041 B11R1.23 CC[C@@H](c1cccc(c1)O)O 1P007S3H [0,1,0,0,0,0|2,0,0]=3 1042 B11R1.23 CC[C@H](c1cccc(c1)Br)N 1P00EM0X [0,1,0,0,0,0|2,0,0]=3 1043 B11R1.23 CC[C@H](c1cccc(c1)C)N 1P001ATM [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.23 CC[C@H](c1cccc(c1)Cl)N 1P000DPS [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.23 CC[C@H](c1cccc(c1)F)N 1P000DP4 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.23 CNC(c1cccc(c1)Br)C 1P0095Z7 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.23 CNC(c1cccc(c1)Br)C 1P01K54U [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.23 CNC(c1cccc(c1)Cl)C 1P00CNEC [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.23 CNC(c1cccc(c1)F)C 1P008L4O [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.23 CNC(c1cccc(c1)O)C 1P01AH7Y [0,1,0,0,0,0|2,0,0]=3 1051 B11R1.23 CN[C@@H](c1cccc(c1)F)C 1P009ZOZ [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.23 CN[C@@H](c1cccc(c1)F)C 1P01KKPT [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.23 CN[C@H](c1cccc(c1)C)C 1P01KLGP [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.23 CN[C@H](c1cccc(c1)F)C 1P009GXB [0,1,0,0,0,0|2,0,0]=3 1055 B11R1.23 CN[C@H](c1cccc(c1)F)C 1P01KL8K [0,1,0,0,0,0|2,0,0]=3 1056 B11R1.23 COC(c1cccc(c1)N)C 1P01AA5Y [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.23 CSC(c1cccc(c1)N)C 1P01AHKM [0,1,0,0,0,0|2,0,0]=3 1058 B11R1.23 ClCC(=O)c1cccc(c1)Cl 1P0033EC [0,1,0,0,0,0|2,0,1]=4 1059 B11R1.23 ClCC(=O)c1cccc(c1)F 1P00DFJY [0,1,0,0,0,0|2,0,1]=4 1060 B11R1.23 ClCC(c1cccc(c1)Cl)O 1P007DL8 [0,1,0,0,0,0|2,0,0]=3 1061 B11R1.23 ClC[C@@H](c1cccc(c1)Cl)O 1P007L3Z [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.23 ClC[C@H](c1cccc(c1)Br)O 1P01B985 [0,1,0,0,0,0|2,0,0]=3 1063 B11R1.23 FCC(=C)c1cccc(c1)Br 1P01FIF1 [0,1,0,0,0,0|1,0,2]=4 1064 B11R1.23 FCC(=O)c1cccc(c1)Br 1P01AFMC [0,1,0,0,0,0|2,0,1]=4 1065 B11R1.23 FCC(=O)c1cccc(c1)F 1P01EKBY [0,1,0,0,0,0|2,0,1]=4 1066 B11R1.23 FCC(c1cccc(c1)Br)N 1P01ELM5 [0,1,0,0,0,0|2,0,0]=3 1067 B11R1.23 FCC(c1cccc(c1)Br)O 1P01DZEM [0,1,0,0,0,0|2,0,0]=3 1068 B11R1.23 FCC(c1cccc(c1)Cl)N 1P028OFX [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.23 FCC(c1cccc(c1)Cl)O 1P01EMUS [0,1,0,0,0,0|2,0,0]=3 1070 B11R1.23 FCC(c1cccc(c1)F)Cl 1P028W1B [0,1,0,0,0,0|2,0,0]=3 1071 B11R1.23 FCC(c1cccc(c1)F)N 1P028A1T [0,1,0,0,0,0|2,0,0]=3 1072 B11R1.23 FC[C@@H](c1cccc(c1)Br)O 1P0290AG [0,1,0,0,0,0|2,0,0]=3 1073 B11R1.23 FC[C@@H](c1cccc(c1)Cl)O 1P02918R [0,1,0,0,0,0|2,0,0]=3 1074 B11R1.23 FC[C@H](c1cccc(c1)Br)O 1P028GH9 [0,1,0,0,0,0|2,0,0]=3 1075 B11R1.23 FC[C@H](c1cccc(c1)Cl)O 1P0290K1 [0,1,0,0,0,0|2,0,0]=3 1076 B11R1.23 FC[C@H](c1cccc(c1)F)O 1P028JSL [0,1,0,0,0,0|2,0,0]=3 1077 B11R1.23 ICC(=O)c1cccc(c1)F 1P01EMEE [0,1,0,0,0,0|2,0,1]=4 1078 B11R1.23 N#CC(c1cccc(c1)Br)Br 1P027VF1 [0,1,0,0,0,0|1,0,2]=4 1079 B11R1.23 N#CC(c1cccc(c1)Br)N 1P019WVR [0,1,0,0,0,0|1,0,2]=4 1080 B11R1.23 N#CC(c1cccc(c1)Br)N 1P01A3ZE [0,1,0,0,0,0|1,0,2]=4 1081 B11R1.23 N#CC(c1cccc(c1)Br)O 1P01ANXQ [0,1,0,0,0,0|1,0,2]=4 1082 B11R1.23 N#CC(c1cccc(c1)C)C 1P01EK7W [0,1,0,0,0,0|0,0,2]=3 1083 B11R1.23 N#CC(c1cccc(c1)Cl)C 1P028ZTR [0,1,0,0,0,0|0,0,2]=3 1084 B11R1.23 N#CC(c1cccc(c1)Cl)Cl 1P02900X [0,1,0,0,0,0|1,0,2]=4 1085 B11R1.23 N#CC(c1cccc(c1)Cl)N 1P019NJJ [0,1,0,0,0,0|1,0,2]=4 1086 B11R1.23 N#CC(c1cccc(c1)Cl)O 1P01B9QQ [0,1,0,0,0,0|1,0,2]=4 1087 B11R1.23 N#CC(c1cccc(c1)F)N 1P02903C [0,1,0,0,0,0|1,0,2]=4 1088 B11R1.23 N#CC(c1cncc(c1)F)C 1P028ZM3 [0,1,0,0,0,0|1,0,2]=4 1089 B11R1.23 NC(c1cccc(n1)F)CO 1P00I42A [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.23 NCC(=C)c1cccc(c1)F 1P028B4A [0,1,0,0,0,0|0,0,2]=3 1091 B11R1.23 NCC(=O)c1cccc(c1)Br 1P003GTW [0,1,0,0,0,0|1,0,1]=3 1092 B11R1.23 NCC(=O)c1cccc(c1)C 1P005GME [0,1,0,0,0,0|1,0,1]=3 1093 B11R1.23 NCC(=O)c1cccc(c1)Cl 1P00DB0W [0,1,0,0,0,0|1,0,1]=3 1094 B11R1.23 NCC(=O)c1cccc(c1)F 1P006IWV [0,1,0,0,0,0|1,0,1]=3 1095 B11R1.23 NCC(=O)c1cccc(c1)O 1P00AUN3 [0,1,0,0,0,0|1,0,1]=3 1096 B11R1.23 NCC(=O)c1cncc(c1)Br 1P01C0ZN [0,1,0,0,0,0|2,0,1]=4 1097 B11R1.23 NCC(=O)c1cncc(c1)O 1P01EMWF [0,1,0,0,0,0|2,0,1]=4 1098 B11R1.23 NCC(c1cccc(=O)[nH]1)C 1P028DVV [0,1,0,0,0,0|1,0,0]=2 1099 B11R1.23 NCC(c1cccc(c1)Br)C 1P0281OG [0,1,0,0,0,0|0,0,0]=1 1100 B11R1.23 NCC(c1cccc(c1)Br)O 1P001E7P [0,1,0,0,0,0|1,0,0]=2 1101 B11R1.23 NCC(c1cccc(c1)Br)O 1P00C7NW [0,1,0,0,0,0|1,0,0]=2 1102 B11R1.23 NCC(c1cccc(c1)C)C 1P01AL01 [0,1,0,0,0,0|0,0,0]=1 1103 B11R1.23 NCC(c1cccc(c1)C)O 1P00DNGE [0,1,0,0,0,0|1,0,0]=2 1104 B11R1.23 NCC(c1cccc(c1)Cl)C 1P024PZY [0,1,0,0,0,0|0,0,0]=1 1105 B11R1.23 NCC(c1cccc(c1)Cl)O 1P008K0Q [0,1,0,0,0,0|1,0,0]=2 1106 B11R1.23 NCC(c1cccc(c1)Cl)O 1P00DG4T [0,1,0,0,0,0|1,0,0]=2 1107 B11R1.23 NCC(c1cccc(c1)F)C 1P019YF2 [0,1,0,0,0,0|0,0,0]=1 1108 B11R1.23 NCC(c1cccc(c1)F)C 1P019YGD [0,1,0,0,0,0|0,0,0]=1 1109 B11R1.23 NCC(c1cccc(c1)F)O 1P00CJH1 [0,1,0,0,0,0|1,0,0]=2 1110 B11R1.23 NCC(c1cccc(c1)O)O 1P003UKP [0,1,0,0,0,0|1,0,0]=2 1111 B11R1.23 NC[C@@H](c1cccc(c1)Br)O 1P01B8YV [0,1,0,0,0,0|1,0,0]=2 1112 B11R1.23 NC[C@@H](c1cccc(c1)Cl)O 1P01B90T [0,1,0,0,0,0|1,0,0]=2 1113 B11R1.23 NC[C@H](c1cccc(c1)Br)N 1P01KLN2 [0,1,0,0,0,0|1,0,0]=2 1114 B11R1.23 NC[C@H](c1cccc(c1)Br)O 1P01B9K6 [0,1,0,0,0,0|1,0,0]=2 1115 B11R1.23 NC[C@H](c1cccc(c1)Cl)O 1P00DBIX [0,1,0,0,0,0|1,0,0]=2 1116 B11R1.23 NC[C@H](c1cccc(c1)F)O 1P01FIAI [0,1,0,0,0,0|1,0,0]=2 1117 B11R1.23 NN=C(c1cccc(c1)O)C 1P00EN2Y [0,1,0,0,0,0|1,0,1]=3 1118 B11R1.23 NNC(=O)c1cccc(c1)Br 1P00343D [0,1,0,0,0,0|2,0,1]=4 1119 B11R1.23 NNC(=O)c1cccc(c1)C 1P000UZ8 [0,1,0,0,0,0|2,0,1]=4 1120 B11R1.23 NNC(=O)c1cccc(c1)Cl 1P001XQZ [0,1,0,0,0,0|2,0,1]=4 1121 B11R1.23 NNC(=O)c1cccc(c1)F 1P003JXU [0,1,0,0,0,0|2,0,1]=4 1122 B11R1.23 NNC(=O)c1cccc(c1)I 1P00C0X7 [0,1,0,0,0,0|2,0,1]=4 1123 B11R1.23 NNC(=O)c1cccc(c1)N 1P001D1X [0,1,0,0,0,0|2,0,1]=4 1124 B11R1.23 NNC(=O)c1cccc(c1)O 1P003K0Y [0,1,0,0,0,0|2,0,1]=4 1125 B11R1.23 NOC(c1cccc(c1)Br)C 1P0287UF [0,1,0,0,0,0|1,0,0]=2 1126 B11R1.23 O=CC(c1cccc(c1)Br)C 1P00IB0O [0,1,0,0,0,0|1,0,1]=3 1127 B11R1.23 O=CC(c1cccc(c1)C)C 1P01FDAY [0,1,0,0,0,0|1,0,1]=3 1128 B11R1.23 O=CC(c1cccc(c1)F)C 1P00DO6C [0,1,0,0,0,0|1,0,1]=3 1129 B11R1.23 O=CC(c1cccc(c1)I)C 1P028GJY [0,1,0,0,0,0|1,0,1]=3 1130 B11R1.23 O=CN(c1cccc(c1)C)C 1P0076V8 [0,1,0,0,0,0|2,0,1]=4 1131 B11R1.23 O=NN(c1cccc(c1)C)C 1P0020H7 [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.23 OC(c1cccc(n1)Br)CF 1P020M5Q [0,1,0,0,0,0|3,0,0]=4 1133 B11R1.23 OC(c1cccc(n1)Br)CO 1P01ELRU [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.23 OCC(=C)c1cccc(c1)Cl 1P027Y3A [0,1,0,0,0,0|1,0,2]=4 1135 B11R1.23 OCC(=O)c1cccc(c1)Br 1P01AM0T [0,1,0,0,0,0|2,0,1]=4 1136 B11R1.23 OCC(=O)c1cccc(c1)Cl 1P01DFA2 [0,1,0,0,0,0|2,0,1]=4 1137 B11R1.23 OCC(=O)c1cccc(c1)F 1P00BQED [0,1,0,0,0,0|2,0,1]=4 1138 B11R1.23 OCC(c1cccc(c1)Br)N 1P002HGT [0,1,0,0,0,0|2,0,0]=3 1139 B11R1.23 OCC(c1cccc(c1)Br)N 1P01A1GB [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.23 OCC(c1cccc(c1)Br)O 1P017KQ7 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.23 OCC(c1cccc(c1)Cl)C 1P01A3Y3 [0,1,0,0,0,0|1,0,0]=2 1142 B11R1.23 OCC(c1cccc(c1)Cl)Cl 1P004AVF [0,1,0,0,0,0|2,0,0]=3 1143 B11R1.23 OCC(c1cccc(c1)Cl)N 1P0027R1 [0,1,0,0,0,0|2,0,0]=3 1144 B11R1.23 OCC(c1cccc(c1)Cl)N 1P009CQ7 [0,1,0,0,0,0|2,0,0]=3 1145 B11R1.23 OCC(c1cccc(c1)F)N 1P000W1Y [0,1,0,0,0,0|2,0,0]=3 1146 B11R1.23 OCC(c1cccc(c1)F)N 1P0027R3 [0,1,0,0,0,0|2,0,0]=3 1147 B11R1.23 OCC(c1cccc(c1)F)O 1P028PC8 [0,1,0,0,0,0|2,0,0]=3 1148 B11R1.23 OCC(c1cccc(c1)I)N 1P028MJB [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.23 OCC(c1cccc(c1)N)O 1P01A2OE [0,1,0,0,0,0|2,0,0]=3 1150 B11R1.23 OCC(c1cccc(c1)O)N 1P00HY02 [0,1,0,0,0,0|2,0,0]=3 1151 B11R1.23 OCC(c1ccnc(c1)C)N 1P0280YY [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.23 OCC(c1cncc(c1)Br)N 1P01XCYH [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.23 OC[C@@H](c1cccc(c1)Br)N 1P002KYM [0,1,0,0,0,0|2,0,0]=3 1154 B11R1.23 OC[C@@H](c1cccc(c1)Br)N 1P024G3F [0,1,0,0,0,0|2,0,0]=3 1155 B11R1.23 OC[C@@H](c1cccc(c1)C)N 1P00IHQV [0,1,0,0,0,0|2,0,0]=3 1156 B11R1.23 OC[C@@H](c1cccc(c1)C)N 1P01DULI [0,1,0,0,0,0|2,0,0]=3 1157 B11R1.23 OC[C@@H](c1cccc(c1)Cl)N 1P0032VG [0,1,0,0,0,0|2,0,0]=3 1158 B11R1.23 OC[C@@H](c1cccc(c1)Cl)N 1P009CQ6 [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.23 OC[C@@H](c1cccc(c1)Cl)O 1P005PU0 [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.23 OC[C@@H](c1cccc(c1)F)N 1P009ZQB [0,1,0,0,0,0|2,0,0]=3 1161 B11R1.23 OC[C@@H](c1cccc(c1)F)N 1P00A04L [0,1,0,0,0,0|2,0,0]=3 1162 B11R1.23 OC[C@@H](c1cccc(c1)F)O 1P0289Z6 [0,1,0,0,0,0|2,0,0]=3 1163 B11R1.23 OC[C@@H](c1cccc(c1)O)N 1P01XD1U [0,1,0,0,0,0|2,0,0]=3 1164 B11R1.23 OC[C@@H](c1cccc(n1)Br)N 1P024G0M [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.23 OC[C@@H](c1cncc(c1)Br)N 1P028AJT [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.23 OC[C@@H](c1nccc(c1)Cl)N 1P0201WA [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.23 OC[C@H](c1cccc(c1)Br)N 1P002KYL [0,1,0,0,0,0|2,0,0]=3 1168 B11R1.23 OC[C@H](c1cccc(c1)Br)N 1P01DE3X [0,1,0,0,0,0|2,0,0]=3 1169 B11R1.23 OC[C@H](c1cccc(c1)C)N 1P0008EZ [0,1,0,0,0,0|2,0,0]=3 1170 B11R1.23 OC[C@H](c1cccc(c1)C)N 1P01DMT6 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.23 OC[C@H](c1cccc(c1)Cl)N 1P00ECTK [0,1,0,0,0,0|2,0,0]=3 1172 B11R1.23 OC[C@H](c1cccc(c1)Cl)N 1P00FEK1 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.23 OC[C@H](c1cccc(c1)F)N 1P00A04Q [0,1,0,0,0,0|2,0,0]=3 1174 B11R1.23 OC[C@H](c1cccc(c1)F)N 1P00CILH [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.23 OC[C@H](c1cccc(c1)F)O 1P024FV5 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.23 OC[C@H](c1cncc(c1)Br)N 1P028AP8 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.23 ON=C(c1cccc(c1)Cl)C 1P006X2K [0,1,0,0,0,0|2,0,1]=4 1178 B11R1.23 ON=C(c1cccc(c1)F)C 1P01HTB2 [0,1,0,0,0,0|2,0,1]=4 1179 B11R1.23 O\N=C(\c1cccc(c1)N)/C 1P00ETN7 [0,1,0,0,0,0|2,0,1]=4 1180 B11R1.36 BrC(c1ccccc1)C(=O)C 1P002MCS [0,1,0,0,0,0|2,0,1]=4 1181 B11R1.36 BrC(c1ccccc1)C(=O)O 1P003O8M [0,1,0,0,0,0|2,0,1]=4 1182 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [0,1,0,0,0,0|2,0,0]=3 1183 B11R1.36 BrC(c1ccccc1)C(F)F 1P01EM7U [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.36 CC(=C(C)C)c1ccccc1 1P005FQH [0,1,0,0,0,0|1,0,2]=4 1185 B11R1.36 CC(C(=C)c1ccccc1)C 1P0020JF [0,1,0,0,0,0|1,0,2]=4 1186 B11R1.36 CC(C(=O)c1ccccc1)Br 1P002LSU [0,1,0,0,0,0|2,0,1]=4 1187 B11R1.36 CC(C(=O)c1ccccc1)C 1P003RK4 [0,1,0,0,0,0|2,0,1]=4 1188 B11R1.36 CC(C(=O)c1ccccc1)Cl 1P003HK2 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.36 CC(C(=O)c1ccccc1)O 1P00381W [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.36 CC(C(=O)c1ccccc1)S 1P0014KR [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.36 CC(C(c1ccccn1)C)C 1P01EW46 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.36 CC(C(c1ccccn1)N)C 1P003I1G [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.36 CC(C(c1ccccn1)N)C 1P00J25O [0,1,0,0,0,0|3,0,0]=4 1194 B11R1.36 CC(C(c1ccccn1)O)C 1P01A93C [0,1,0,0,0,0|3,0,0]=4 1195 B11R1.36 CC(C(c1cccnc1)N)C 1P00CLHH [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.36 CC(C(c1cccnc1)N)C 1P00J26G [0,1,0,0,0,0|3,0,0]=4 1197 B11R1.36 CC([C@@H](c1ccccn1)N)C 1P01DUNS [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.36 CC([C@H](c1ccccn1)N)C 1P01FQ3E [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [0,1,0,0,0,0|0,0,1]=2 1200 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [0,1,0,0,0,0|1,0,1]=3 1201 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [0,1,0,0,0,0|0,0,1]=2 1202 B11R1.36 CC(c1ccccc1)C(=O)O 1P003Q9M [0,1,0,0,0,0|1,0,1]=3 1203 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [0,1,0,0,0,0|1,0,0]=2 1204 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [0,1,0,0,0,0|0,0,0]=1 1205 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [0,1,0,0,0,0|1,0,0]=2 1206 B11R1.36 CC(c1ccncc1)C(=O)[O-] 1P01C5DY [0,1,0,0,0,0|2,0,1]=4 1207 B11R1.36 CC(c1ccncc1)C(C)C 1P01FF85 [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.36 CN(C(=O)c1ccccc1)N 1P00AO6B [0,1,0,0,0,0|2,0,1]=4 1209 B11R1.36 CN(c1ccccc1)C(=N)N 1P019SM4 [0,1,0,0,0,0|1,0,1]=3 1210 B11R1.36 CN(c1ccccc1)C(=O)C 1P003TNP [0,1,0,0,0,0|2,0,1]=4 1211 B11R1.36 CN(c1ccccc1)C(=O)Cl 1P003TOV [0,1,0,0,0,0|2,0,1]=4 1212 B11R1.36 CN(c1ccccc1)C(=O)N 1P00E08N [0,1,0,0,0,0|1,0,1]=3 1213 B11R1.36 CN(c1ccccc1)C(=S)N 1P003TOW [0,1,0,0,0,0|1,0,1]=3 1214 B11R1.36 C[C@@H](c1ccccc1)C(=O)O 1P003CXR [0,1,0,0,0,0|1,0,1]=3 1215 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [0,1,0,0,0,0|2,0,0]=3 1216 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [0,1,0,0,0,0|0,0,1]=2 1217 B11R1.36 C[C@H](c1ccccc1)C(=O)O 1P003CJO [0,1,0,0,0,0|1,0,1]=3 1218 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [0,1,0,0,0,0|2,0,0]=3 1219 B11R1.36 ClC(C(=O)c1ccccc1)Cl 1P002TV5 [0,1,0,0,0,0|2,0,1]=4 1220 B11R1.36 ClC(c1ccccc1)C(=O)C 1P00DQWI [0,1,0,0,0,0|2,0,1]=4 1221 B11R1.36 ClC(c1ccccc1)C(=O)Cl 1P002XUX [0,1,0,0,0,0|2,0,1]=4 1222 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [0,1,0,0,0,0|1,0,1]=3 1223 B11R1.36 ClC(c1ccccc1)C(=O)O 1P0033NY [0,1,0,0,0,0|2,0,1]=4 1224 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.36 Cl[C@@H](c1ccccc1)C(=O)O 1P00C23B [0,1,0,0,0,0|2,0,1]=4 1226 B11R1.36 FC(C(=O)c1ccccc1)Br 1P00CU87 [0,1,0,0,0,0|2,0,1]=4 1227 B11R1.36 FC(C(=O)c1ccccc1)F 1P003FRJ [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.36 FC(C(c1ccccn1)N)F 1P028HH8 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.36 FC(S(=O)c1ccccc1)F 1P00BLJS [0,1,0,0,0,0|3,0,0]=4 1230 B11R1.36 FC(c1ccccc1)C(=O)O 1P001Q6K [0,1,0,0,0,0|2,0,1]=4 1231 B11R1.36 NC(=O)C(c1ccccn1)N 1P01ANHW [0,1,0,0,0,0|2,0,1]=4 1232 B11R1.36 NC(=O)N(c1cccnc1)C 1P01B28U [0,1,0,0,0,0|2,0,1]=4 1233 B11R1.36 NC(c1ccccc1)C(=O)C 1P00BZXU [0,1,0,0,0,0|2,0,1]=4 1234 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [0,1,0,0,0,0|1,0,1]=3 1235 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [0,1,0,0,0,0|1,0,1]=3 1236 B11R1.36 NC(c1ccccc1)C(=O)O 1P003BUF [0,1,0,0,0,0|2,0,1]=4 1237 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [0,1,0,0,0,0|2,0,0]=3 1238 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [0,1,0,0,0,0|2,0,0]=3 1239 B11R1.36 NC(c1ccccc1)C(F)F 1P01AMBO [0,1,0,0,0,0|2,0,0]=3 1240 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [0,1,0,0,0,0|2,0,0]=3 1242 B11R1.36 NC(c1ccncc1)C(C)C 1P00EKIT [0,1,0,0,0,0|3,0,0]=4 1243 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [0,1,0,0,0,0|1,0,1]=3 1244 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [0,1,0,0,0,0|1,0,1]=3 1245 B11R1.36 N[C@@H](c1ccccc1)C(=O)O 1P003RNB [0,1,0,0,0,0|2,0,1]=4 1246 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.36 N[C@@H](c1ccccc1)C(F)F 1P01E61P [0,1,0,0,0,0|2,0,0]=3 1249 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [0,1,0,0,0,0|2,0,0]=3 1250 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [0,1,0,0,0,0|2,0,0]=3 1251 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [0,1,0,0,0,0|1,0,1]=3 1252 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [0,1,0,0,0,0|1,0,1]=3 1253 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P003CPF [0,1,0,0,0,0|2,0,1]=4 1254 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P00BK11 [0,1,0,0,0,0|2,0,1]=4 1255 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [0,1,0,0,0,0|2,0,0]=3 1256 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [0,1,0,0,0,0|2,0,0]=3 1257 B11R1.36 N[C@H](c1ccccc1)C(F)F 1P01DZT4 [0,1,0,0,0,0|2,0,0]=3 1258 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [0,1,0,0,0,0|2,0,0]=3 1259 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [0,1,0,0,0,0|2,0,0]=3 1260 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.36 O=C(c1ccccc1)C(=S)N 1P019MWH [0,1,0,0,0,0|1,0,2]=4 1262 B11R1.36 OC(=O)C(c1cccnc1)C 1P00IGF2 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [0,1,0,0,0,0|2,0,1]=4 1264 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [0,1,0,0,0,0|1,0,1]=3 1265 B11R1.36 OC(c1ccccc1)C(=O)O 1P003790 [0,1,0,0,0,0|2,0,1]=4 1266 B11R1.36 OC(c1ccccc1)C(=O)[O-] 1P000AQ7 [0,1,0,0,0,0|2,0,1]=4 1267 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [0,1,0,0,0,0|2,0,0]=3 1268 B11R1.36 OC(c1ccccc1)C(F)F 1P019DAC [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.36 OC(c1ccncc1)C(N)C 1P01AAOY [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [0,1,0,0,0,0|1,0,1]=3 1271 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P000Q83 [0,1,0,0,0,0|2,0,1]=4 1272 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P0035JL [0,1,0,0,0,0|2,0,1]=4 1273 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.36 O[C@@H](c1ccccc1)C(F)F 1P01ALTG [0,1,0,0,0,0|2,0,0]=3 1275 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [0,1,0,0,0,0|1,0,1]=3 1276 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P000Q82 [0,1,0,0,0,0|2,0,1]=4 1277 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P0032UD [0,1,0,0,0,0|2,0,1]=4 1278 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P01JVEL [0,1,0,0,0,0|2,0,1]=4 1279 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [0,1,0,0,0,0|2,0,0]=3 1280 B11R1.36 O[C@H](c1ccccc1)C(F)F 1P01BCSU [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.36 SC(c1ccccc1)C(=O)O 1P00E0CY [0,1,0,0,0,0|2,0,1]=4 1282 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [0,1,0,0,0,0|2,0,0]=3 1283 B11R1.36 [O-]C(=O)C(c1ccccn1)C 1P01BFWO [0,1,0,0,0,0|2,0,1]=4 1284 B11R1.36 [O-]C(=O)C(c1cccnc1)C 1P028SSQ [0,1,0,0,0,0|2,0,1]=4 1285 B11R1.222 BrCC(=O)c1ccccc1Br 1P00DAWM [0,1,0,0,0,0|2,0,1]=4 1286 B11R1.222 BrCC(=O)c1ccccc1C 1P00DEAM [0,1,0,0,0,0|2,0,1]=4 1287 B11R1.222 BrCC(=O)c1ccccc1Cl 1P003H2D [0,1,0,0,0,0|2,0,1]=4 1288 B11R1.222 BrCC(=O)c1ccccc1F 1P003H2Z [0,1,0,0,0,0|2,0,1]=4 1289 B11R1.222 BrCC(=O)c1ccccc1O 1P002QB5 [0,1,0,0,0,0|2,0,1]=4 1290 B11R1.222 BrCC(c1ccccc1Br)F 1P0292DB [0,1,0,0,0,0|2,0,0]=3 1291 B11R1.222 BrC[C@H](c1ccccc1Cl)O 1P019VDV [0,1,0,0,0,0|2,0,0]=3 1292 B11R1.222 C#CC(c1ccccc1Cl)O 1P002FJN [0,1,0,0,0,0|2,0,1]=4 1293 B11R1.222 C=CC(c1ccccc1F)O 1P02915W [0,1,0,0,0,0|2,0,1]=4 1294 B11R1.222 CCC(=O)c1ccccc1Br 1P00EK76 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.222 CCC(=O)c1ccccc1C 1P0029P4 [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.222 CCC(=O)c1ccccc1Cl 1P00EB73 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.222 CCC(=O)c1ccccc1F 1P003DB2 [0,1,0,0,0,0|2,0,1]=4 1298 B11R1.222 CCC(=O)c1ccccc1N 1P000PPD [0,1,0,0,0,0|2,0,1]=4 1299 B11R1.222 CCC(=O)c1ccccc1O 1P003BP5 [0,1,0,0,0,0|2,0,1]=4 1300 B11R1.222 CCC(c1ccccc1Br)N 1P009ZWX [0,1,0,0,0,0|2,0,0]=3 1301 B11R1.222 CCC(c1ccccc1Br)O 1P00FH1T [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.222 CCC(c1ccccc1C)N 1P00DLYR [0,1,0,0,0,0|2,0,0]=3 1303 B11R1.222 CCC(c1ccccc1Cl)N 1P00CMK0 [0,1,0,0,0,0|2,0,0]=3 1304 B11R1.222 CCC(c1ccccc1F)N 1P00I3UW [0,1,0,0,0,0|2,0,0]=3 1305 B11R1.222 CCC(c1ccccc1N)C 1P00D8X4 [0,1,0,0,0,0|1,0,0]=2 1306 B11R1.222 CCC(c1ccccc1O)C 1P0042T9 [0,1,0,0,0,0|1,0,0]=2 1307 B11R1.222 CCC(c1ccccc1O)N 1P01AHNC [0,1,0,0,0,0|2,0,0]=3 1308 B11R1.222 CCC(c1cccnc1F)O 1P024ZL0 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.222 CCC(c1ncccc1C)N 1P0005CB [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.222 CCC(c1ncccc1C)N 1P01DE76 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.222 CCN(c1ccccc1N)C 1P00C5P0 [0,1,0,0,0,0|2,0,0]=3 1312 B11R1.222 CCN(c1ccccc1N)C 1P0285MY [0,1,0,0,0,0|2,0,0]=3 1313 B11R1.222 CCS(=O)c1ccccc1N 1P019SID [0,1,0,0,0,0|3,0,0]=4 1314 B11R1.222 CC[C@@H](c1ccccc1Cl)N 1P003BYO [0,1,0,0,0,0|2,0,0]=3 1315 B11R1.222 CC[C@@H](c1ccccc1F)N 1P000VZ2 [0,1,0,0,0,0|2,0,0]=3 1316 B11R1.222 CC[C@@H](c1ccccc1F)N 1P0090C3 [0,1,0,0,0,0|2,0,0]=3 1317 B11R1.222 CC[C@@H](c1ccccc1O)N 1P00A0AB [0,1,0,0,0,0|2,0,0]=3 1318 B11R1.222 CC[C@H](c1ccccc1Br)N 1P02029L [0,1,0,0,0,0|2,0,0]=3 1319 B11R1.222 CC[C@H](c1ccccc1C)N 1P004QN9 [0,1,0,0,0,0|2,0,0]=3 1320 B11R1.222 CC[C@H](c1ccccc1F)N 1P000DPV [0,1,0,0,0,0|2,0,0]=3 1321 B11R1.222 CNC(c1ccccc1Br)C 1P00A09X [0,1,0,0,0,0|2,0,0]=3 1322 B11R1.222 CNC(c1ccccc1C)C 1P00CNDY [0,1,0,0,0,0|2,0,0]=3 1323 B11R1.222 CNC(c1ccccc1Cl)C 1P00DIDW [0,1,0,0,0,0|2,0,0]=3 1324 B11R1.222 CNC(c1ccccc1F)C 1P006G9Q [0,1,0,0,0,0|2,0,0]=3 1325 B11R1.222 CNC(c1ccccc1O)C 1P0096TK [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.222 CNC(c1ccccc1O)C 1P019LPL [0,1,0,0,0,0|2,0,0]=3 1327 B11R1.222 CNC(c1cccnc1N)C 1P027TYU [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.222 CNC(c1ncccc1Cl)C 1P028X11 [0,1,0,0,0,0|3,0,0]=4 1329 B11R1.222 CN[C@@H](c1ccccc1C)C 1P01BS4Q [0,1,0,0,0,0|2,0,0]=3 1330 B11R1.222 CN[C@@H](c1ccccc1Cl)C 1P0220O2 [0,1,0,0,0,0|2,0,0]=3 1331 B11R1.222 CN[C@H](c1ccccc1C)C 1P01BS6G [0,1,0,0,0,0|2,0,0]=3 1332 B11R1.222 CN[C@H](c1ccccc1Cl)C 1P01DE5S [0,1,0,0,0,0|2,0,0]=3 1333 B11R1.222 CN[C@H](c1ccccc1Cl)C 1P01DULO [0,1,0,0,0,0|2,0,0]=3 1334 B11R1.222 COC(c1ccccc1Br)C 1P0283AX [0,1,0,0,0,0|2,0,0]=3 1335 B11R1.222 CO[C@H](c1ncccc1Br)C 1P01XGLJ [0,1,0,0,0,0|3,0,0]=4 1336 B11R1.222 ClCC(=O)c1ccccc1Cl 1P01A092 [0,1,0,0,0,0|2,0,1]=4 1337 B11R1.222 ClCC(=O)c1ccccc1F 1P00DE1J [0,1,0,0,0,0|2,0,1]=4 1338 B11R1.222 FCC(=O)c1ccccc1Br 1P009XTQ [0,1,0,0,0,0|2,0,1]=4 1339 B11R1.222 FCC(=O)c1ccccc1C 1P01DW8K [0,1,0,0,0,0|2,0,1]=4 1340 B11R1.222 FCC(=O)c1ccccc1F 1P001CNY [0,1,0,0,0,0|2,0,1]=4 1341 B11R1.222 FCC(c1ccccc1Br)N 1P028SE7 [0,1,0,0,0,0|2,0,0]=3 1342 B11R1.222 FCC(c1ccccc1Br)O 1P0288PA [0,1,0,0,0,0|2,0,0]=3 1343 B11R1.222 FCC(c1ccccc1C)N 1P01FJRK [0,1,0,0,0,0|2,0,0]=3 1344 B11R1.222 FCC(c1ccccc1C)O 1P01DW8V [0,1,0,0,0,0|2,0,0]=3 1345 B11R1.222 FCC(c1ccccc1F)N 1P028IH2 [0,1,0,0,0,0|2,0,0]=3 1346 B11R1.222 FCC(c1ccccc1F)O 1P0290K8 [0,1,0,0,0,0|2,0,0]=3 1347 B11R1.222 FC[C@H](c1ccccc1F)O 1P0291DI [0,1,0,0,0,0|2,0,0]=3 1348 B11R1.222 N#CC(c1ccccc1Br)Cl 1P01KKHL [0,1,0,0,0,0|1,0,2]=4 1349 B11R1.222 N#CC(c1ccccc1Br)N 1P01B6VL [0,1,0,0,0,0|1,0,2]=4 1350 B11R1.222 N#CC(c1ccccc1C)C 1P00EM68 [0,1,0,0,0,0|0,0,2]=3 1351 B11R1.222 N#CC(c1ccccc1C)N 1P028HG7 [0,1,0,0,0,0|1,0,2]=4 1352 B11R1.222 N#CC(c1ccccc1Cl)C 1P0059NE [0,1,0,0,0,0|0,0,2]=3 1353 B11R1.222 N#CC(c1ccccc1Cl)N 1P01A982 [0,1,0,0,0,0|1,0,2]=4 1354 B11R1.222 N#CC(c1ccccc1Cl)N 1P028VVZ [0,1,0,0,0,0|1,0,2]=4 1355 B11R1.222 N#CC(c1ccccc1Cl)O 1P0014SE [0,1,0,0,0,0|1,0,2]=4 1356 B11R1.222 N#CC(c1ccccc1F)N 1P01AAPO [0,1,0,0,0,0|1,0,2]=4 1357 B11R1.222 N#CC(c1ccccc1O)O 1P028G7U [0,1,0,0,0,0|1,0,2]=4 1358 B11R1.222 N#CC(c1ncccc1Br)C 1P028Z9G [0,1,0,0,0,0|1,0,2]=4 1359 B11R1.222 N#CC(c1ncccc1F)C 1P028JVA [0,1,0,0,0,0|1,0,2]=4 1360 B11R1.222 NCC(=C)c1ccccc1F 1P028BXM [0,1,0,0,0,0|0,0,2]=3 1361 B11R1.222 NCC(=O)c1ccccc1Br 1P01ALG9 [0,1,0,0,0,0|1,0,1]=3 1362 B11R1.222 NCC(=O)c1ccccc1C 1P00FC2T [0,1,0,0,0,0|1,0,1]=3 1363 B11R1.222 NCC(=O)c1ccccc1Cl 1P00AR76 [0,1,0,0,0,0|1,0,1]=3 1364 B11R1.222 NCC(=O)c1ccccc1F 1P00GW1J [0,1,0,0,0,0|1,0,1]=3 1365 B11R1.222 NCC(=O)c1ccccc1O 1P01C4S3 [0,1,0,0,0,0|1,0,1]=3 1366 B11R1.222 NCC(=O)c1cccnc1Cl 1P01BSJV [0,1,0,0,0,0|2,0,1]=4 1367 B11R1.222 NCC(=O)c1ncccc1Cl 1P01BS15 [0,1,0,0,0,0|2,0,1]=4 1368 B11R1.222 NCC(c1ccccc1Br)O 1P00FC1G [0,1,0,0,0,0|1,0,0]=2 1369 B11R1.222 NCC(c1ccccc1C)O 1P01AI84 [0,1,0,0,0,0|1,0,0]=2 1370 B11R1.222 NCC(c1ccccc1Cl)O 1P00BL9B [0,1,0,0,0,0|1,0,0]=2 1371 B11R1.222 NCC(c1ccccc1Cl)O 1P00I8F7 [0,1,0,0,0,0|1,0,0]=2 1372 B11R1.222 NCC(c1ccccc1F)O 1P003GSL [0,1,0,0,0,0|1,0,0]=2 1373 B11R1.222 NCC(c1ccccc1O)O 1P00BVOK [0,1,0,0,0,0|1,0,0]=2 1374 B11R1.222 NCC(c1ccncc1Br)C 1P01EM0R [0,1,0,0,0,0|1,0,0]=2 1375 B11R1.222 NCC(c1ncccc1F)C 1P02918N [0,1,0,0,0,0|1,0,0]=2 1376 B11R1.222 NNC(=O)c1ccccc1C 1P008QFS [0,1,0,0,0,0|2,0,1]=4 1377 B11R1.222 NNC(=O)c1ccccc1Cl 1P003HIC [0,1,0,0,0,0|2,0,1]=4 1378 B11R1.222 NNC(=O)c1ccccc1F 1P003HS4 [0,1,0,0,0,0|2,0,1]=4 1379 B11R1.222 NNC(=O)c1ccccc1F 1P01BGFD [0,1,0,0,0,0|2,0,1]=4 1380 B11R1.222 NNC(=O)c1ccccc1I 1P00BZLS [0,1,0,0,0,0|2,0,1]=4 1381 B11R1.222 NNC(=O)c1ccccc1N 1P002F0J [0,1,0,0,0,0|2,0,1]=4 1382 B11R1.222 NNC(=O)c1ccccc1O 1P003UND [0,1,0,0,0,0|2,0,1]=4 1383 B11R1.222 O=CC(c1ccccc1Br)C 1P0288HD [0,1,0,0,0,0|1,0,1]=3 1384 B11R1.222 O=CC(c1ccccc1C)C 1P028W93 [0,1,0,0,0,0|1,0,1]=3 1385 B11R1.222 O=CC(c1ccccc1Cl)C 1P02892X [0,1,0,0,0,0|1,0,1]=3 1386 B11R1.222 O=CC(c1ccccc1F)C 1P024Q0P [0,1,0,0,0,0|1,0,1]=3 1387 B11R1.222 O=CC(c1ccccc1I)C 1P028ELW [0,1,0,0,0,0|1,0,1]=3 1388 B11R1.222 O=CN(c1ccccc1C)C 1P0010A4 [0,1,0,0,0,0|2,0,1]=4 1389 B11R1.222 O=NN(c1ccccc1Cl)C 1P02856H [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.222 O=NN(c1ccccc1F)C 1P0281G6 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.222 OCC(=C)c1ccccc1C 1P027Y44 [0,1,0,0,0,0|1,0,2]=4 1392 B11R1.222 OCC(=O)c1ccccc1Br 1P01DFAD [0,1,0,0,0,0|2,0,1]=4 1393 B11R1.222 OCC(=O)c1ccccc1Cl 1P003GQ7 [0,1,0,0,0,0|2,0,1]=4 1394 B11R1.222 OCC(c1ccccc1Br)N 1P0096SU [0,1,0,0,0,0|2,0,0]=3 1395 B11R1.222 OCC(c1ccccc1C)N 1P0096QK [0,1,0,0,0,0|2,0,0]=3 1396 B11R1.222 OCC(c1ccccc1C)N 1P024G0J [0,1,0,0,0,0|2,0,0]=3 1397 B11R1.222 OCC(c1ccccc1Cl)N 1P000XJ8 [0,1,0,0,0,0|2,0,0]=3 1398 B11R1.222 OCC(c1ccccc1Cl)N 1P01WTOO [0,1,0,0,0,0|2,0,0]=3 1399 B11R1.222 OCC(c1ccccc1F)N 1P0027R2 [0,1,0,0,0,0|2,0,0]=3 1400 B11R1.222 OCC(c1ccccc1F)N 1P01AJ3A [0,1,0,0,0,0|2,0,0]=3 1401 B11R1.222 OCC(c1ccccc1I)N 1P01EMYZ [0,1,0,0,0,0|2,0,0]=3 1402 B11R1.222 OCC(c1ccncc1Br)C 1P028PTF [0,1,0,0,0,0|2,0,0]=3 1403 B11R1.222 OCC(c1ccncc1Cl)N 1P00I400 [0,1,0,0,0,0|3,0,0]=4 1404 B11R1.222 OC[C@@H](c1ccccc1Br)N 1P01BINE [0,1,0,0,0,0|2,0,0]=3 1405 B11R1.222 OC[C@@H](c1ccccc1Br)N 1P01JV4Y [0,1,0,0,0,0|2,0,0]=3 1406 B11R1.222 OC[C@@H](c1ccccc1C)N 1P01KL5C [0,1,0,0,0,0|2,0,0]=3 1407 B11R1.222 OC[C@@H](c1ccccc1F)N 1P01EC5J [0,1,0,0,0,0|2,0,0]=3 1408 B11R1.222 OC[C@@H](c1ccccc1F)N 1P01K0OD [0,1,0,0,0,0|2,0,0]=3 1409 B11R1.222 OC[C@H](c1ccccc1Br)N 1P01JV4G [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.222 OC[C@H](c1ccccc1Br)N 1P01KKYD [0,1,0,0,0,0|2,0,0]=3 1411 B11R1.222 OC[C@H](c1ccccc1C)N 1P01KLCH [0,1,0,0,0,0|2,0,0]=3 1412 B11R1.222 OC[C@H](c1ccccc1Cl)N 1P00BJ0E [0,1,0,0,0,0|2,0,0]=3 1413 B11R1.222 OC[C@H](c1ccccc1Cl)O 1P0014OJ [0,1,0,0,0,0|2,0,0]=3 1414 B11R1.222 OC[C@H](c1ccccc1F)N 1P000WY0 [0,1,0,0,0,0|2,0,0]=3 1415 B11R1.222 OC[C@H](c1ccccc1F)N 1P00C41D [0,1,0,0,0,0|2,0,0]=3 1416 B11R1.222 ON=C(c1ccccc1F)C 1P028JDV [0,1,0,0,0,0|2,0,1]=4 1417 B11R1.222 ON=C(c1ccccc1O)C 1P000PPC [0,1,0,0,0,0|2,0,1]=4 1418 B11R1.222 O\N=C(/c1ccccc1O)\C 1P01B9SN [0,1,0,0,0,0|2,0,1]=4 1419 B11R2.1 Brc1c[nH]c2c1cccc2 1P001LDH [0,0,0,1,0,0|1,0,2]=4 1420 B11R2.1 Brc1n[nH]c2c1cccc2 1P003JG4 [0,0,0,1,0,0|2,0,1]=4 1421 B11R2.1 C=C1CCc2c1cccc2 1P000J6F [0,0,0,1,0,0|1,0,2]=4 1422 B11R2.1 CC1=CCc2c1cccc2 1P005V74 [0,0,0,1,0,0|1,0,2]=4 1423 B11R2.1 CC1CCc2c1cccc2 1P003AUM [0,0,0,1,0,0|1,0,0]=2 1424 B11R2.1 CC1CCc2c1nccn2 1P006VKY [0,0,0,1,0,0|3,0,0]=4 1425 B11R2.1 CC1CNc2c1cccc2 1P0039RW [0,0,0,1,0,0|0,0,0]=1 1426 B11R2.1 CC1CNc2c1cccc2 1P0073LH [0,0,0,1,0,0|0,0,0]=1 1427 B11R2.1 CC1CNc2c1ccnc2 1P028ISK [0,0,0,1,0,0|1,0,0]=2 1428 B11R2.1 CC1CNc2c1nccc2 1P028GS8 [0,0,0,1,0,0|1,0,0]=2 1429 B11R2.1 CC1COc2c1cccc2 1P008041 [0,0,0,1,0,0|1,0,0]=2 1430 B11R2.1 CC1NCc2c1cccc2 1P01A6S1 [0,0,0,1,0,0|2,0,0]=3 1431 B11R2.1 CN1CCc2c1cccc2 1P00G9YK [0,0,0,1,0,0|2,0,0]=3 1432 B11R2.1 CN1CCc2c1ccnc2 1P00BHT0 [0,0,0,1,0,0|3,0,0]=4 1433 B11R2.1 C[C@@H]1NCc2c1cccc2 1P01B7VV [0,0,0,1,0,0|2,0,0]=3 1434 B11R2.1 C[C@H]1NCc2c1cccc2 1P01B7MO [0,0,0,1,0,0|2,0,0]=3 1435 B11R2.1 C[n+]1csc2c1cccc2 1P002VFJ [0,0,0,1,0,0|2,0,1]=4 1436 B11R2.1 Cc1[nH]nc2c1cccc2 1P00J2W9 [0,0,0,1,0,0|1,0,2]=4 1437 B11R2.1 Cc1[nH]nc2c1cccc2 1P01B6UF [0,0,0,1,0,0|1,0,2]=4 1438 B11R2.1 Cc1c[nH]c2c1cccc2 1P003K87 [0,0,0,1,0,0|0,0,2]=3 1439 B11R2.1 Cc1c[nH]c2c1cccn2 1P003K71 [0,0,0,1,0,0|1,0,2]=4 1440 B11R2.1 Cc1c[nH]c2c1ccnc2 1P00BJ4R [0,0,0,1,0,0|1,0,2]=4 1441 B11R2.1 Cc1c[nH]c2c1cncc2 1P002M10 [0,0,0,1,0,0|1,0,2]=4 1442 B11R2.1 Cc1c[nH]c2c1nccc2 1P00C3GO [0,0,0,1,0,0|1,0,2]=4 1443 B11R2.1 Cc1coc2c1cccc2 1P003K54 [0,0,0,1,0,0|1,0,2]=4 1444 B11R2.1 Cc1csc2c1cccc2 1P001DL4 [0,0,0,1,0,0|1,0,2]=4 1445 B11R2.1 Cc1n[nH]c2c1cccc2 1P00I6HC [0,0,0,1,0,0|1,0,1]=3 1446 B11R2.1 Cc1n[nH]c2c1cccn2 1P000DQP [0,0,0,1,0,0|2,0,1]=4 1447 B11R2.1 Cc1n[nH]c2c1ccnc2 1P0082VR [0,0,0,1,0,0|2,0,1]=4 1448 B11R2.1 Cc1n[nH]c2c1cncc2 1P008ZNQ [0,0,0,1,0,0|2,0,1]=4 1449 B11R2.1 Cc1n[nH]c2c1cncc2 1P028IVW [0,0,0,1,0,0|2,0,1]=4 1450 B11R2.1 Cc1n[nH]c2c1nccc2 1P00ANXR [0,0,0,1,0,0|2,0,1]=4 1451 B11R2.1 Cc1noc2c1cccc2 1P00347Z [0,0,0,1,0,0|2,0,1]=4 1452 B11R2.1 Cc1onc2c1cccc2 1P01FM41 [0,0,0,1,0,0|1,0,2]=4 1453 B11R2.1 ClC1CCc2c1cccc2 1P00C7HS [0,0,0,1,0,0|2,0,0]=3 1454 B11R2.1 Clc1c[nH]c2c1cccc2 1P001YOG [0,0,0,1,0,0|1,0,2]=4 1455 B11R2.1 Clc1n[nH]c2c1cccc2 1P002XU8 [0,0,0,1,0,0|2,0,1]=4 1456 B11R2.1 Cn1ccc2c1cccc2 1P003EZD [0,0,0,1,0,0|2,0,1]=4 1457 B11R2.1 Cn1cnc2c1cccc2 1P001UBI [0,0,0,1,0,0|1,0,2]=4 1458 B11R2.1 Cn1ncc2c1cccc2 1P007166 [0,0,0,1,0,0|3,0,0]=4 1459 B11R2.1 Cn1nnc2c1cccc2 1P003EXP [0,0,0,1,0,0|2,0,1]=4 1460 B11R2.1 Fc1n[nH]c2c1cccc2 1P006K58 [0,0,0,1,0,0|2,0,1]=4 1461 B11R2.1 Ic1c[nH]c2c1cccc2 1P002TA1 [0,0,0,1,0,0|1,0,2]=4 1462 B11R2.1 Ic1n[nH]c2c1cccc2 1P00H8K8 [0,0,0,1,0,0|2,0,1]=4 1463 B11R2.1 NC1CCc2c1cccc2 1P003EEO [0,0,0,1,0,0|2,0,0]=3 1464 B11R2.1 NC1CCc2c1cccc2 1P003EEP [0,0,0,1,0,0|2,0,0]=3 1465 B11R2.1 NC1CCc2c1cccn2 1P009315 [0,0,0,1,0,0|3,0,0]=4 1466 B11R2.1 NC1CCc2c1nccc2 1P009316 [0,0,0,1,0,0|3,0,0]=4 1467 B11R2.1 NC1COc2c1cccc2 1P003B2V [0,0,0,1,0,0|2,0,0]=3 1468 B11R2.1 NC1COc2c1cccn2 1P01D998 [0,0,0,1,0,0|3,0,0]=4 1469 B11R2.1 NC1CSc2c1cccc2 1P01AJV3 [0,0,0,1,0,0|2,0,0]=3 1470 B11R2.1 NN1CCc2c1cccc2 1P00G2ST [0,0,0,1,0,0|3,0,0]=4 1471 B11R2.1 NN1CCc2c1cccc2 1P00GVUT [0,0,0,1,0,0|3,0,0]=4 1472 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0008SL [0,0,0,1,0,0|2,0,0]=3 1473 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0086LZ [0,0,0,1,0,0|2,0,0]=3 1474 B11R2.1 N[C@@H]1CCc2c1nccc2 1P01KL2G [0,0,0,1,0,0|3,0,0]=4 1475 B11R2.1 N[C@@H]1CCc2c1nccc2 1P024HCH [0,0,0,1,0,0|3,0,0]=4 1476 B11R2.1 N[C@@H]1COc2c1cccc2 1P01B9VO [0,0,0,1,0,0|2,0,0]=3 1477 B11R2.1 N[C@H]1CCc2c1cccc2 1P0032X1 [0,0,0,1,0,0|2,0,0]=3 1478 B11R2.1 N[C@H]1CCc2c1cccc2 1P00IBB5 [0,0,0,1,0,0|2,0,0]=3 1479 B11R2.1 N[C@H]1CCc2c1cccn2 1P024TYR [0,0,0,1,0,0|3,0,0]=4 1480 B11R2.1 N[C@H]1COc2c1cccc2 1P00232H [0,0,0,1,0,0|2,0,0]=3 1481 B11R2.1 Nc1c[nH]c2c1cccc2 1P00EB72 [0,0,0,1,0,0|1,0,2]=4 1482 B11R2.1 Nc1n[nH]c2c1cccc2 1P003JAF [0,0,0,1,0,0|2,0,1]=4 1483 B11R2.1 O=C1CNc2[n+]1cccc2 1P01C68T [0,0,0,1,0,0|2,0,1]=4 1484 B11R2.1 O=C1COc2c1cccc2 1P00345D [0,0,0,1,0,0|2,0,1]=4 1485 B11R2.1 O=C1CSc2c1cccc2 1P000UBJ [0,0,0,1,0,0|2,0,1]=4 1486 B11R2.1 O=c1[nH][nH]c2c1cccc2 1P003K1Q [0,0,0,1,0,0|2,0,1]=4 1487 B11R2.1 O=c1s[nH]c2c1cccc2 1P018H3I [0,0,0,1,0,0|2,0,1]=4 1488 B11R2.1 OC1CCc2c1cccc2 1P003EVW [0,0,0,1,0,0|2,0,0]=3 1489 B11R2.1 OC1CCc2c1cccn2 1P008SIZ [0,0,0,1,0,0|3,0,0]=4 1490 B11R2.1 OC1CCc2c1nccc2 1P003NHM [0,0,0,1,0,0|3,0,0]=4 1491 B11R2.1 OC1COc2c1cccc2 1P01A26G [0,0,0,1,0,0|2,0,0]=3 1492 B11R2.1 OC1COc2c1cccn2 1P001JJ7 [0,0,0,1,0,0|3,0,0]=4 1493 B11R2.1 O[C@@H]1CCc2c1cccc2 1P003CPA [0,0,0,1,0,0|2,0,0]=3 1494 B11R2.1 O[C@@H]1CCc2c1cccn2 1P00NMHB [0,0,0,1,0,0|3,0,0]=4 1495 B11R2.1 O[C@@H]1CCc2c1nccc2 1P00H2SR [0,0,0,1,0,0|3,0,0]=4 1496 B11R2.1 O[C@@H]1CSc2c1cccc2 1P001YCG [0,0,0,1,0,0|2,0,0]=3 1497 B11R2.1 O[C@H]1CCc2c1cccc2 1P0032WK [0,0,0,1,0,0|2,0,0]=3 1498 B11R2.1 O[C@H]1CCc2c1cccn2 1P00QDE8 [0,0,0,1,0,0|3,0,0]=4 1499 B11R2.1 O[C@H]1CCc2c1nccc2 1P008BKB [0,0,0,1,0,0|3,0,0]=4 1500 B11R2.1 Oc1n[nH]c2c1cccc2 1P0003O7 [0,0,0,1,0,0|2,0,1]=4 1501 B11R2.1 SC1CCc2c1cccc2 1P0015VF [0,0,0,1,0,0|2,0,0]=3 1502 B11R2.1 Sc1c[nH]c2c1cccc2 1P00I97N [0,0,0,1,0,0|1,0,2]=4 1503 B11R2.1 [Ti+3]C1C=Cc2c1cccc2 1P003VH8 [0,0,0,1,0,0|2,0,1]=4 1504 B11R2.4 BrC1CC1c2ccccc2 1P00CRS3 [0,0,0,1,0,0|1,0,0]=2 1505 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 1P01BA83 [0,0,0,1,0,0|1,0,0]=2 1506 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [0,0,0,1,0,0|1,0,0]=2 1507 B11R2.4 CC1CC1c2ccncc2 1P01EYE6 [0,0,0,1,0,0|2,0,0]=3 1508 B11R2.4 CC1NC1c2ccccc2 1P005T2D [0,0,0,1,0,0|2,0,0]=3 1509 B11R2.4 CN1C[C@@H]1c2ccccc2 1P01EJ8O [0,0,0,1,0,0|2,0,0]=3 1510 B11R2.4 CN1C[C@H]1c2ccccc2 1P01EJ96 [0,0,0,1,0,0|2,0,0]=3 1511 B11R2.4 NC1CC1c2ccccc2 1P00E0CT [0,0,0,1,0,0|0,0,0]=1 1512 B11R2.4 NC1CC1c2ccccc2 1P00EKHZ [0,0,0,1,0,0|0,0,0]=1 1513 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 1P01JUMX [0,0,0,1,0,0|0,0,0]=1 1514 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P002C46 [0,0,0,1,0,0|0,0,0]=1 1515 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P0036EW [0,0,0,1,0,0|0,0,0]=1 1516 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P009AYV [0,0,0,1,0,0|0,0,0]=1 1517 B11R2.4 N[C@H]1CC1c2ccccc2 1P00DK73 [0,0,0,1,0,0|0,0,0]=1 1518 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 1P003AUO [0,0,0,1,0,0|0,0,0]=1 1519 B11R2.4 N[C@H]1C[C@@H]1c2cccnc2 1P00JQJ5 [0,0,0,1,0,0|1,0,0]=2 1520 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 1P00DDXS [0,0,0,1,0,0|0,0,0]=1 1521 B11R2.40 BrC1(CC1)c2ccccc2 1P01A4ZK [0,0,0,1,0,0|2,0,0]=3 1522 B11R2.40 CC1(CC1)c2ccncc2 1P01EYET [0,0,0,1,0,0|2,0,0]=3 1523 B11R2.40 CC1(OC1)c2ccccc2 1P002K7B [0,0,0,1,0,0|1,0,0]=2 1524 B11R2.40 ClC1(CC1)c2ccccc2 1P000BTP [0,0,0,1,0,0|2,0,0]=3 1525 B11R2.40 NC1(CC1)c2ccccc2 1P003F32 [0,0,0,1,0,0|2,0,0]=3 1526 B11R2.40 NC1(CC1)c2ccccc2 1P00BZE5 [0,0,0,1,0,0|2,0,0]=3 1527 B11R2.40 NC1(CC1)c2ccccn2 1P0015KJ [0,0,0,1,0,0|3,0,0]=4 1528 B11R2.40 NC1(CC1)c2ccccn2 1P0032Z8 [0,0,0,1,0,0|3,0,0]=4 1529 B11R2.40 NC1(CC1)c2ccccn2 1P0073KS [0,0,0,1,0,0|3,0,0]=4 1530 B11R2.40 NC1(CC1)c2cccnc2 1P0092UL [0,0,0,1,0,0|3,0,0]=4 1531 B11R2.40 NC1(CC1)c2cccnc2 1P00I9HY [0,0,0,1,0,0|3,0,0]=4 1532 B11R2.40 NC1(CC1)c2ccncc2 1P000K5N [0,0,0,1,0,0|3,0,0]=4 1533 B11R2.40 OC1(CC1)c2ccccc2 1P002Z3X [0,0,0,1,0,0|2,0,0]=3 1534 B11R2.40 OC1(CC1)c2ccccn2 1P028V5T [0,0,0,1,0,0|3,0,0]=4 1535 B11R2.40 OC1(CC1)c2ccncc2 1P028FQT [0,0,0,1,0,0|3,0,0]=4 1536 B11R2.54 O=C1C(C)c2c1cccc2 1P005NMP [0,0,0,1,0,0|1,0,1]=3 1537 B11R2.239 C1CC(C1)c2ccccc2 1P00E02O [0,0,0,1,0,0|1,0,0]=2 1538 B11R2.239 C1CC(N1)c2ccccc2 1P007ONK [0,0,0,1,0,0|2,0,0]=3 1539 B11R2.239 C1CC(O1)c2ccccc2 1P00E03O [0,0,0,1,0,0|2,0,0]=3 1540 B11R2.239 C1C[C@H](N1)c2ccccc2 1P028F5A [0,0,0,1,0,0|2,0,0]=3 1541 B11R2.239 N1CC(C1)c2ccccc2 1P00D8JP [0,0,0,1,0,0|0,0,0]=1 1542 B11R2.239 N1CC(C1)c2ccccc2 1P00G7HV [0,0,0,1,0,0|0,0,0]=1 1543 B11R2.239 N1CC(C1)c2ccccn2 1P002IYO [0,0,0,1,0,0|1,0,0]=2 1544 B11R2.239 N1CC(C1)c2ccccn2 1P01BYCH [0,0,0,1,0,0|1,0,0]=2 1545 B11R2.239 N1CC(C1)c2cccnc2 1P000LDY [0,0,0,1,0,0|1,0,0]=2 1546 B11R2.239 N1CC(C1)c2ccncc2 1P000LDZ [0,0,0,1,0,0|1,0,0]=2 1547 B11R2.239 N1CC(C1)c2ccncn2 1P0019L8 [0,0,0,1,0,0|2,0,0]=3 1548 B11R2.239 N1CC(C1)c2cncnc2 1P01S2AH [0,0,0,1,0,0|2,0,0]=3 1549 B11R2.239 N1CC(C1)c2ncccn2 1P01DL9U [0,0,0,1,0,0|2,0,0]=3 1550 B11R2.239 N1CC(C1)c2ncccn2 1P020M8L [0,0,0,1,0,0|2,0,0]=3 1551 B11R2.239 N1CC(C1)c2nccnc2 1P00HHUI [0,0,0,1,0,0|2,0,0]=3 1552 B11R2.239 O1CC(C1)c2ccccc2 1P007YJ3 [0,0,0,1,0,0|1,0,0]=2 1553 B11R2.988 BrCC1Cc2c1cccc2 1P027V2N [0,0,0,1,0,0|1,0,0]=2 1554 B11R2.988 NCC1Cc2c1cccc2 1P0002MH [0,0,0,1,0,0|0,0,0]=1 1555 B11R2.988 O=CC1Cc2c1cccc2 1P005DML [0,0,0,1,0,0|1,0,1]=3 1556 B11R2.988 OCC1Cc2c1cccc2 1P001NH8 [0,0,0,1,0,0|1,0,0]=2 1557 B9R1.11 CCC(c1c[nH]nc1)C 1P01SB3L [0,0,0,0,1,0|3,0,0]=4 1558 B9R1.11 CCC(c1ccco1)N 1P01ASY7 [0,0,0,0,1,0|3,0,0]=4 1559 B9R1.11 CCC(c1cccs1)N 1P00J3T4 [0,0,0,0,1,0|3,0,0]=4 1560 B9R1.11 CCC(c1cccs1)O 1P01DZQ6 [0,0,0,0,1,0|3,0,0]=4 1561 B9R1.11 CCC(n1cccn1)C 1P01AOSY [0,0,0,0,1,0|3,0,0]=4 1562 B9R1.11 CCC(n1cncc1)C 1P002DER [0,0,0,0,1,0|3,0,0]=4 1563 B9R1.11 CC[C@@H](c1cccs1)N 1P01BGQU [0,0,0,0,1,0|3,0,0]=4 1564 B9R1.11 CNC(c1ccco1)C 1P019MEE [0,0,0,0,1,0|3,0,0]=4 1565 B9R1.11 CNC(c1cccs1)C 1P00201P [0,0,0,0,1,0|3,0,0]=4 1566 B9R1.11 CNC(c1cccs1)C 1P00J3S0 [0,0,0,0,1,0|3,0,0]=4 1567 B9R1.11 N#CC(c1ccco1)C 1P01B6OK [0,0,0,0,1,0|1,0,2]=4 1568 B9R1.11 N#CC(c1cccs1)C 1P01AKBR [0,0,0,0,1,0|1,0,2]=4 1569 B9R1.11 NCC(=O)c1ccc[nH]1 1P027ZXO [0,0,0,0,1,0|2,0,1]=4 1570 B9R1.11 NCC(=O)c1ccco1 1P0045RE [0,0,0,0,1,0|2,0,1]=4 1571 B9R1.11 NCC(c1ccco1)O 1P00C1QL [0,0,0,0,1,0|2,0,0]=3 1572 B9R1.11 NCC(c1cccs1)C 1P01AKCV [0,0,0,0,1,0|1,0,0]=2 1573 B9R1.11 NCC(c1cccs1)O 1P01AIA5 [0,0,0,0,1,0|2,0,0]=3 1574 B9R1.11 NCC(c1cocc1)O 1P028IXV [0,0,0,0,1,0|2,0,0]=3 1575 B9R1.11 NCC(c1cscc1)C 1P019TLO [0,0,0,0,1,0|1,0,0]=2 1576 B9R1.11 NCC(c1cscc1)C 1P01RJKJ [0,0,0,0,1,0|1,0,0]=2 1577 B9R1.11 NCC(c1cscc1)O 1P009215 [0,0,0,0,1,0|2,0,0]=3 1578 B9R1.11 NCC(c1nc[nH]c1)F 1P028A2Z [0,0,0,0,1,0|3,0,0]=4 1579 B9R1.11 NCC(c1nc[nH]c1)O 1P01BIWS [0,0,0,0,1,0|3,0,0]=4 1580 B9R1.11 NCC(c1ncc[nH]1)C 1P01DXBZ [0,0,0,0,1,0|2,0,0]=3 1581 B9R1.11 NCC(c1nccs1)C 1P01A7JT [0,0,0,0,1,0|2,0,0]=3 1582 B9R1.11 NCC(c1nocn1)C 1P01EIJJ [0,0,0,0,1,0|3,0,0]=4 1583 B9R1.11 NCC(n1cccn1)C 1P000EF5 [0,0,0,0,1,0|2,0,0]=3 1584 B9R1.11 NC[C@@H](n1ccnn1)C 1P028T9Q [0,0,0,0,1,0|3,0,0]=4 1585 B9R1.11 NC[C@H](n1ccnn1)C 1P028RT2 [0,0,0,0,1,0|3,0,0]=4 1586 B9R1.11 OCC(c1ccco1)N 1P00BJSX [0,0,0,0,1,0|3,0,0]=4 1587 B9R1.11 OCC(c1cccs1)N 1P00I4GJ [0,0,0,0,1,0|3,0,0]=4 1588 B9R1.11 OCC(c1cscc1)N 1P0096QN [0,0,0,0,1,0|3,0,0]=4 1589 B9R1.11 OCC(c1ncc[nH]1)C 1P001KIP [0,0,0,0,1,0|3,0,0]=4 1590 B9R1.11 OCC(n1cccn1)C 1P002FW5 [0,0,0,0,1,0|3,0,0]=4 1591 B9R1.11 OCC(n1cncc1)C 1P00ADH4 [0,0,0,0,1,0|3,0,0]=4 1592 B9R1.11 OC[C@H](c1ccco1)N 1P024G1T [0,0,0,0,1,0|3,0,0]=4 1593 B9R1.11 OC[C@H](c1ccco1)O 1P001DDJ [0,0,0,0,1,0|3,0,0]=4 1594 B11R1.40 BrC(Cc1ccccc1)C#N 1P00ERAI [0,0,0,0,0,1|1,0,2]=4 1595 B11R1.40 BrCC(=O)Cc1ccccc1 1P002JOF [0,0,0,0,0,1|2,0,1]=4 1596 B11R1.40 BrCC(=O)Oc1ccccc1 1P0035XL [0,0,0,0,0,1|2,0,1]=4 1597 B11R1.40 C=CC(Cc1ccccc1)O 1P00ENKF [0,0,0,0,0,1|2,0,1]=4 1598 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [0,0,0,0,0,1|2,0,1]=4 1599 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [0,0,0,0,0,1|2,0,1]=4 1600 B11R1.40 CC(Nc1ccccc1)C#N 1P00BK55 [0,0,0,0,0,1|0,0,2]=3 1601 B11R1.40 CC(Oc1ccccc1)C#N 1P01AIKQ [0,0,0,0,0,1|0,0,2]=3 1602 B11R1.40 CC(Sc1ccccc1)C#N 1P01EK9I [0,0,0,0,0,1|0,0,2]=3 1603 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,0,0,0,0,1|2,0,1]=4 1604 B11R1.40 CCC(=O)Nc1ccccc1 1P0037QW [0,0,0,0,0,1|2,0,1]=4 1605 B11R1.40 CCC(=O)Oc1ccccc1 1P00EG93 [0,0,0,0,0,1|2,0,1]=4 1606 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,0,0,0,0,1|2,0,0]=3 1607 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,0,0,0,0,1|2,0,0]=3 1608 B11R1.40 CCC(Cc1ccncc1)Br 1P01B1VS [0,0,0,0,0,1|3,0,0]=4 1609 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [0,0,0,0,0,1|3,0,0]=4 1610 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,0,0,0,0,1|2,0,0]=3 1611 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,0,0,0,0,1|2,0,0]=3 1612 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,0,0,0,0,1|2,0,0]=3 1613 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,0,0,0,0,1|2,0,0]=3 1614 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,0,0,0,0,1|2,0,0]=3 1615 B11R1.40 CNC(=Cc1ccccc1)C 1P01B1W1 [0,0,0,0,0,1|2,0,1]=4 1616 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [0,0,0,0,0,1|3,0,0]=4 1617 B11R1.40 CNC(Cc1ccccn1)C 1P00D9XC [0,0,0,0,0,1|3,0,0]=4 1618 B11R1.40 ClC(Cc1ccccc1)C#N 1P0026K2 [0,0,0,0,0,1|1,0,2]=4 1619 B11R1.40 ClCC(=O)Cc1ccccc1 1P0061Y1 [0,0,0,0,0,1|2,0,1]=4 1620 B11R1.40 ClCC(=O)Nc1ccccc1 1P003HJM [0,0,0,0,0,1|2,0,1]=4 1621 B11R1.40 ClCC(=O)Oc1ccccc1 1P01DQKJ [0,0,0,0,0,1|2,0,1]=4 1622 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [0,0,0,0,0,1|2,0,0]=3 1623 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [0,0,0,0,0,1|2,0,0]=3 1624 B11R1.40 FC(Sc1ccccc1)C#N 1P000V5T [0,0,0,0,0,1|1,0,2]=4 1625 B11R1.40 ICC(=O)Nc1ccccc1 1P00IN3U [0,0,0,0,0,1|2,0,1]=4 1626 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [0,0,0,0,0,1|2,0,1]=4 1627 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [0,0,0,0,0,1|1,0,2]=4 1628 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [0,0,0,0,0,1|1,0,2]=4 1629 B11R1.40 NCC(=O)Cc1ccccc1 1P00334Z [0,0,0,0,0,1|1,0,1]=3 1630 B11R1.40 NCC(=O)Nc1ccccc1 1P00DDPM [0,0,0,0,0,1|1,0,1]=3 1631 B11R1.40 NCC(=O)Nc1ccccc1 1P00DL14 [0,0,0,0,0,1|1,0,1]=3 1632 B11R1.40 NCC(=O)Nc1ccccn1 1P01A0T0 [0,0,0,0,0,1|2,0,1]=4 1633 B11R1.40 NCC(=O)Nc1cccnc1 1P00BKLU [0,0,0,0,0,1|2,0,1]=4 1634 B11R1.40 NCC(=O)Nc1ccncc1 1P028498 [0,0,0,0,0,1|2,0,1]=4 1635 B11R1.40 NCC(=O)Sc1ccccc1 1P028EBQ [0,0,0,0,0,1|1,0,1]=3 1636 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [0,0,0,0,0,1|1,0,0]=2 1637 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [0,0,0,0,0,1|1,0,0]=2 1638 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [0,0,0,0,0,1|1,0,0]=2 1639 B11R1.40 NCC(Cc1ccccn1)C 1P01BU05 [0,0,0,0,0,1|1,0,0]=2 1640 B11R1.40 NCC(Cc1ccccn1)C 1P027VI5 [0,0,0,0,0,1|1,0,0]=2 1641 B11R1.40 NCC(Cc1cccnc1)O 1P028Y27 [0,0,0,0,0,1|2,0,0]=3 1642 B11R1.40 NCC(Nc1ccccc1)C 1P019TJC [0,0,0,0,0,1|0,0,0]=1 1643 B11R1.40 NCC(Oc1ccccc1)C 1P003IBC [0,0,0,0,0,1|0,0,0]=1 1644 B11R1.40 NCC(Oc1ccccc1)C 1P00IKNL [0,0,0,0,0,1|0,0,0]=1 1645 B11R1.40 NCC(Oc1cccnc1)C 1P0048SZ [0,0,0,0,0,1|1,0,0]=2 1646 B11R1.40 NCC(Sc1ccccc1)C 1P019SS7 [0,0,0,0,0,1|0,0,0]=1 1647 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [0,0,0,0,0,1|1,0,0]=2 1648 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [0,0,0,0,0,1|1,0,0]=2 1649 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [0,0,0,0,0,1|1,0,0]=2 1650 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [0,0,0,0,0,1|1,0,0]=2 1651 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [0,0,0,0,0,1|2,0,1]=4 1652 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG8 [0,0,0,0,0,1|2,0,1]=4 1653 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG9 [0,0,0,0,0,1|2,0,1]=4 1654 B11R1.40 NNC(=O)Oc1ccccc1 1P003B60 [0,0,0,0,0,1|2,0,1]=4 1655 B11R1.40 NNC(=S)Nc1ccccc1 1P003MFV [0,0,0,0,0,1|2,0,1]=4 1656 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [0,0,0,0,0,1|1,0,0]=2 1657 B11R1.40 O=CC(=Cc1ccccc1)C 1P0003W3 [0,0,0,0,0,1|1,0,2]=4 1658 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [0,0,0,0,0,1|1,0,1]=3 1659 B11R1.40 O=CN(C)CC1=CC=CC=C1 1P01KHTP [0,0,0,0,0,1|2,0,1]=4 1660 B11R1.40 O=C\C(=C\c1ccccc1)\C 1P00ACHR [0,0,0,0,0,1|1,0,2]=4 1661 B11R1.40 O=NN(Cc1ccccc1)C 1P01BJ40 [0,0,0,0,0,1|3,0,0]=4 1662 B11R1.40 OC(Cc1ccccc1)C#C 1P00DAP6 [0,0,0,0,0,1|2,0,1]=4 1663 B11R1.40 OC(Cc1ccccc1)C#N 1P006V4A [0,0,0,0,0,1|1,0,2]=4 1664 B11R1.40 OCC(=Cc1ccccc1)C 1P001N1I [0,0,0,0,0,1|1,0,1]=3 1665 B11R1.40 OCC(=O)Nc1ccccc1 1P00DHB3 [0,0,0,0,0,1|2,0,1]=4 1666 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [0,0,0,0,0,1|1,0,0]=2 1667 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [0,0,0,0,0,1|2,0,0]=3 1668 B11R1.40 OCC(Cc1ccccn1)N 1P01BDEZ [0,0,0,0,0,1|3,0,0]=4 1669 B11R1.40 OCC(Cc1cccnc1)N 1P01BDC0 [0,0,0,0,0,1|3,0,0]=4 1670 B11R1.40 OCC(Cc1ccncc1)N 1P01BDD8 [0,0,0,0,0,1|3,0,0]=4 1671 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [0,0,0,0,0,1|1,0,0]=2 1672 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [0,0,0,0,0,1|2,0,0]=3 1673 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [0,0,0,0,0,1|2,0,0]=3 1674 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [0,0,0,0,0,1|1,0,0]=2 1675 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [0,0,0,0,0,1|2,0,0]=3 1676 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [0,0,0,0,0,1|2,0,0]=3 1677 B11R1.40 SCC(=O)Nc1ccccc1 1P006XF9 [0,0,0,0,0,1|2,0,1]=4 1678 B8R0.4 CCC\C=C\C=C\C=O 1P0030BR [1,0,1,0,0,0|2,0,0]=4 1679 B8R1.2 BrCc1ccccc1 1P0000N4 [2,0,0,0,0,0|1,0,0]=3 1680 B8R1.2 BrCc1ccccn1 1P00BC33 [2,0,0,0,0,0|2,0,0]=4 1681 B8R1.2 BrCc1cccnc1 1P0033XF [2,0,0,0,0,0|2,0,0]=4 1682 B8R1.2 BrCc1ccncc1 1P00349W [2,0,0,0,0,0|2,0,0]=4 1683 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [2,0,0,0,0,0|2,0,0]=4 1684 B8R1.2 Br[Se]c1ccccc1 1P00399Q [2,0,0,0,0,0|2,0,0]=4 1685 B8R1.2 C#Cc1ccccc1 1P0037R1 [2,0,0,0,0,0|0,0,2]=4 1686 B8R1.2 C=Cc1ccccc1 1P0000N1 [2,0,0,0,0,0|0,0,2]=4 1687 B8R1.2 C=Cc1ccccc1 1P00C4A8 [2,0,0,0,0,0|0,0,2]=4 1688 B8R1.2 CCN1CC=CC=C1 1P004M7X [2,0,0,0,0,0|1,0,1]=4 1689 B8R1.2 CC[n+]1ccccc1 1P002F4L [2,0,0,0,0,0|1,0,0]=3 1690 B8R1.2 CC[n+]1ccccc1 1P002M2C [2,0,0,0,0,0|1,0,0]=3 1691 B8R1.2 CC[n+]1ccccc1 1P00CL4T [2,0,0,0,0,0|1,0,0]=3 1692 B8R1.2 CCc1ccccc1 1P0000N2 [2,0,0,0,0,0|0,0,0]=2 1693 B8R1.2 CCc1ccccn1 1P0000NJ [2,0,0,0,0,0|1,0,0]=3 1694 B8R1.2 CCc1cccnc1 1P00DE9B [2,0,0,0,0,0|1,0,0]=3 1695 B8R1.2 CCc1cccnn1 1P00BI37 [2,0,0,0,0,0|2,0,0]=4 1696 B8R1.2 CCc1ccncc1 1P003LT3 [2,0,0,0,0,0|1,0,0]=3 1697 B8R1.2 CCc1ccncn1 1P0030XP [2,0,0,0,0,0|2,0,0]=4 1698 B8R1.2 CCc1cnccn1 1P003HNC [2,0,0,0,0,0|2,0,0]=4 1699 B8R1.2 CCc1cncnc1 1P002RAM [2,0,0,0,0,0|2,0,0]=4 1700 B8R1.2 CCc1ncccn1 1P00EGF2 [2,0,0,0,0,0|2,0,0]=4 1701 B8R1.2 CNc1ccccc1 1P0000NT [2,0,0,0,0,0|1,0,0]=3 1702 B8R1.2 CNc1ccccc1 1P003TNS [2,0,0,0,0,0|1,0,0]=3 1703 B8R1.2 CNc1ccccn1 1P003TP7 [2,0,0,0,0,0|2,0,0]=4 1704 B8R1.2 CNc1cccnc1 1P00289C [2,0,0,0,0,0|2,0,0]=4 1705 B8R1.2 CNc1ccncc1 1P007CLZ [2,0,0,0,0,0|2,0,0]=4 1706 B8R1.2 COc1ccccc1 1P0000NO [2,0,0,0,0,0|1,0,0]=3 1707 B8R1.2 COc1ccccn1 1P001TWH [2,0,0,0,0,0|2,0,0]=4 1708 B8R1.2 COc1cccnc1 1P00347L [2,0,0,0,0,0|2,0,0]=4 1709 B8R1.2 COc1ccncc1 1P003M5N [2,0,0,0,0,0|2,0,0]=4 1710 B8R1.2 CSc1ccccc1 1P0000NM [2,0,0,0,0,0|1,0,0]=3 1711 B8R1.2 CSc1ccccn1 1P00AP6U [2,0,0,0,0,0|2,0,0]=4 1712 B8R1.2 CSc1cccnc1 1P002H17 [2,0,0,0,0,0|2,0,0]=4 1713 B8R1.2 CSc1ccncc1 1P00CCG6 [2,0,0,0,0,0|2,0,0]=4 1714 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [2,0,0,0,0,0|0,1,0]=3 1715 B8R1.2 ClCc1ccccn1 1P0033BZ [2,0,0,0,0,0|2,0,0]=4 1716 B8R1.2 ClCc1ccccn1 1P0073L5 [2,0,0,0,0,0|2,0,0]=4 1717 B8R1.2 ClCc1cccnc1 1P005WS5 [2,0,0,0,0,0|2,0,0]=4 1718 B8R1.2 ClCc1ccncc1 1P0023Y0 [2,0,0,0,0,0|2,0,0]=4 1719 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [2,0,0,0,0,0|2,0,0]=4 1720 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [2,0,0,0,0,0|2,0,0]=4 1721 B8R1.2 FCc1cccnc1 1P004R6V [2,0,0,0,0,0|2,0,0]=4 1722 B8R1.2 FCc1ccncc1 1P004SSU [2,0,0,0,0,0|2,0,0]=4 1723 B8R1.2 ICc1ccccc1 1P0037QF [2,0,0,0,0,0|1,0,0]=3 1724 B8R1.2 ICc1cccnc1 1P005TG6 [2,0,0,0,0,0|2,0,0]=4 1725 B8R1.2 ICc1ccncc1 1P001AK8 [2,0,0,0,0,0|2,0,0]=4 1726 B8R1.2 N#Cc1ccccc1 1P0000MW [2,0,0,0,0,0|0,0,2]=4 1727 B8R1.2 N#Cc1ccccc1 1P001LN2 [2,0,0,0,0,0|0,0,2]=4 1728 B8R1.2 N#Cc1ccccc1 1P003OQS [2,0,0,0,0,0|0,0,2]=4 1729 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [2,0,0,0,0,0|1,0,1]=4 1730 B8R1.2 NCc1ccccc1 1P0000MX [2,0,0,0,0,0|0,0,0]=2 1731 B8R1.2 NCc1ccccc1 1P003OLG [2,0,0,0,0,0|0,0,0]=2 1732 B8R1.2 NCc1ccccc1 1P00BYUK [2,0,0,0,0,0|0,0,0]=2 1733 B8R1.2 NCc1ccccc1 1P00DH5Y [2,0,0,0,0,0|0,0,0]=2 1734 B8R1.2 NCc1ccccn1 1P003IDS [2,0,0,0,0,0|1,0,0]=3 1735 B8R1.2 NCc1cccnc1 1P003UIR [2,0,0,0,0,0|1,0,0]=3 1736 B8R1.2 NCc1cccnc1 1P01XEWA [2,0,0,0,0,0|1,0,0]=3 1737 B8R1.2 NCc1cccnn1 1P00GS3J [2,0,0,0,0,0|2,0,0]=4 1738 B8R1.2 NCc1cccnn1 1P01JUG1 [2,0,0,0,0,0|2,0,0]=4 1739 B8R1.2 NCc1ccncc1 1P0034LV [2,0,0,0,0,0|1,0,0]=3 1740 B8R1.2 NCc1ccncc1 1P00ED63 [2,0,0,0,0,0|1,0,0]=3 1741 B8R1.2 NCc1ccncn1 1P000A6H [2,0,0,0,0,0|2,0,0]=4 1742 B8R1.2 NCc1ccncn1 1P0038A7 [2,0,0,0,0,0|2,0,0]=4 1743 B8R1.2 NCc1ccncn1 1P00EMBN [2,0,0,0,0,0|2,0,0]=4 1744 B8R1.2 NCc1ccnnc1 1P003AHQ [2,0,0,0,0,0|2,0,0]=4 1745 B8R1.2 NCc1ccnnc1 1P006ZTS [2,0,0,0,0,0|2,0,0]=4 1746 B8R1.2 NCc1cnccn1 1P002CZT [2,0,0,0,0,0|2,0,0]=4 1747 B8R1.2 NCc1cnccn1 1P00397Q [2,0,0,0,0,0|2,0,0]=4 1748 B8R1.2 NCc1cncnc1 1P002RBY [2,0,0,0,0,0|2,0,0]=4 1749 B8R1.2 NCc1cncnc1 1P00ILSS [2,0,0,0,0,0|2,0,0]=4 1750 B8R1.2 NCc1ncccn1 1P001ILN [2,0,0,0,0,0|2,0,0]=4 1751 B8R1.2 NCc1ncccn1 1P0033KZ [2,0,0,0,0,0|2,0,0]=4 1752 B8R1.2 NCc1ncccn1 1P005HA7 [2,0,0,0,0,0|2,0,0]=4 1753 B8R1.2 NCc1nccnc1 1P00HE98 [2,0,0,0,0,0|2,0,0]=4 1754 B8R1.2 NNc1ccccc1 1P0000NR [2,0,0,0,0,0|1,0,0]=3 1755 B8R1.2 NNc1ccccc1 1P0035XW [2,0,0,0,0,0|1,0,0]=3 1756 B8R1.2 NNc1ccccc1 1P003U6F [2,0,0,0,0,0|1,0,0]=3 1757 B8R1.2 NNc1ccccn1 1P003HU7 [2,0,0,0,0,0|2,0,0]=4 1758 B8R1.2 NNc1ccccn1 1P00DIES [2,0,0,0,0,0|2,0,0]=4 1759 B8R1.2 NNc1ccccn1 1P00I9B1 [2,0,0,0,0,0|2,0,0]=4 1760 B8R1.2 NNc1cccnc1 1P0037EA [2,0,0,0,0,0|2,0,0]=4 1761 B8R1.2 NNc1cccnc1 1P00398X [2,0,0,0,0,0|2,0,0]=4 1762 B8R1.2 NNc1cccnc1 1P003JZP [2,0,0,0,0,0|2,0,0]=4 1763 B8R1.2 NNc1ccncc1 1P002JZO [2,0,0,0,0,0|2,0,0]=4 1764 B8R1.2 NNc1ccncc1 1P01DFTQ [2,0,0,0,0,0|2,0,0]=4 1765 B8R1.2 NNc1ccncc1 1P01FD3X [2,0,0,0,0,0|2,0,0]=4 1766 B8R1.2 NOc1ccccc1 1P0037K5 [2,0,0,0,0,0|1,0,0]=3 1767 B8R1.2 O=Nc1ccccc1 1P003AHD [2,0,0,0,0,0|2,0,0]=4 1768 B8R1.2 O=[As]c1ccccc1 1P003U68 [2,0,0,0,0,0|2,0,0]=4 1769 B8R1.2 O=[I]c1ccccc1 1P0037R0 [2,0,0,0,0,0|2,0,0]=4 1770 B8R1.2 OCc1ccccc1 1P0000MS [2,0,0,0,0,0|1,0,0]=3 1771 B8R1.2 OCc1ccccn1 1P003UIQ [2,0,0,0,0,0|2,0,0]=4 1772 B8R1.2 OCc1cccnc1 1P0000NZ [2,0,0,0,0,0|2,0,0]=4 1773 B8R1.2 OCc1ccncc1 1P0034J2 [2,0,0,0,0,0|2,0,0]=4 1774 B8R1.2 OCc1ccncc1 1P00IBZH [2,0,0,0,0,0|2,0,0]=4 1775 B8R1.2 ONc1ccccc1 1P0000NP [2,0,0,0,0,0|2,0,0]=4 1776 B8R1.2 ONc1ccccc1 1P00G4MK [2,0,0,0,0,0|2,0,0]=4 1777 B8R1.2 SCc1ccccc1 1P0000O1 [2,0,0,0,0,0|1,0,0]=3 1778 B8R1.2 SCc1ccccn1 1P0029Y2 [2,0,0,0,0,0|2,0,0]=4 1779 B8R1.2 SCc1cccnc1 1P0024X6 [2,0,0,0,0,0|2,0,0]=4 1780 B8R1.2 SCc1ccncc1 1P0023XZ [2,0,0,0,0,0|2,0,0]=4 1781 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [2,0,0,0,0,0|1,0,1]=4 1782 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [2,0,0,0,0,0|1,0,0]=3 1783 B10R1.13 Brc1ccc(cc1)C(Br)C 1P00BJF5 [1,1,0,0,0,0|1,0,0]=3 1784 B10R1.13 Brc1ccc(cc1)S(=O)C 1P006325 [1,1,0,0,0,0|2,0,0]=4 1785 B10R1.13 Brc1ccc(cn1)C(C)C 1P01FSQM [1,1,0,0,0,0|1,0,0]=3 1786 B10R1.13 Brc1ccc(cn1)C(O)C 1P00A6BK [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.13 Brc1ccc(cn1)N(C)C 1P00CLSE [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.13 Brc1ccc(cn1)[C@@H](N)C 1P00HGKC [1,1,0,0,0,0|1,0,0]=3 1789 B10R1.13 Brc1ccc(cn1)[C@@H](O)C 1P028HPX [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.13 Brc1ccc(cn1)[C@H](N)C 1P01M0WP [1,1,0,0,0,0|1,0,0]=3 1791 B10R1.13 Brc1ccc(nc1)C(C)C 1P000HQZ [1,1,0,0,0,0|1,0,0]=3 1792 B10R1.13 Brc1ccc(nc1)C(N)C 1P01BH2H [1,1,0,0,0,0|1,0,0]=3 1793 B10R1.13 Brc1ccc(nc1)C(O)C 1P001RLP [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.13 Brc1ccc(nc1)N(C)C 1P002SEP [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P000T08 [1,1,0,0,0,0|1,0,0]=3 1796 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P001AV5 [1,1,0,0,0,0|1,0,0]=3 1797 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P00IH89 [1,1,0,0,0,0|1,0,0]=3 1798 B10R1.13 Brc1ccc(nc1)[C@@H](O)C 1P00K74A [1,1,0,0,0,0|2,0,0]=4 1799 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P00IJH3 [1,1,0,0,0,0|1,0,0]=3 1800 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P01DECR [1,1,0,0,0,0|1,0,0]=3 1801 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P024IA0 [1,1,0,0,0,0|1,0,0]=3 1802 B10R1.13 Brc1ccc(nc1)[C@H](O)C 1P01XA6D [1,1,0,0,0,0|2,0,0]=4 1803 B10R1.13 CC(=C)c1ccc(cc1)Br 1P01DFHT [1,1,0,0,0,0|0,0,2]=4 1804 B10R1.13 CC(=C)c1ccc(cc1)Cl 1P003LMX [1,1,0,0,0,0|0,0,2]=4 1805 B10R1.13 CC(=C)c1ccc(cc1)F 1P003ESP [1,1,0,0,0,0|0,0,2]=4 1806 B10R1.13 CC(=C)c1ccc(cc1)I 1P01DFI7 [1,1,0,0,0,0|0,0,2]=4 1807 B10R1.13 CC(=C)c1ccc(cc1)O 1P003U4X [1,1,0,0,0,0|0,0,2]=4 1808 B10R1.13 CC(=O)c1ccc(cc1)Br 1P0034EQ [1,1,0,0,0,0|1,0,1]=4 1809 B10R1.13 CC(=O)c1ccc(cc1)Cl 1P0034GF [1,1,0,0,0,0|1,0,1]=4 1810 B10R1.13 CC(=O)c1ccc(cc1)F 1P0034HV [1,1,0,0,0,0|1,0,1]=4 1811 B10R1.13 CC(=O)c1ccc(cc1)I 1P00150G [1,1,0,0,0,0|1,0,1]=4 1812 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7C [1,1,0,0,0,0|1,0,1]=4 1813 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7D [1,1,0,0,0,0|1,0,1]=4 1814 B10R1.13 CC(=O)c1ccc(cc1)O 1P0034IP [1,1,0,0,0,0|1,0,1]=4 1815 B10R1.13 CC(=O)c1ccc(cc1)S 1P00CAPQ [1,1,0,0,0,0|1,0,1]=4 1816 B10R1.13 CC(c1cc[n+](cc1)[O-])C 1P01F547 [1,1,0,0,0,0|1,0,0]=3 1817 B10R1.13 CC(c1ccc(=O)[nH]n1)C 1P00EH56 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.13 CC(c1ccc(cc1)Br)C 1P003LGJ [1,1,0,0,0,0|0,0,0]=2 1819 B10R1.13 CC(c1ccc(cc1)Br)Cl 1P019ZE7 [1,1,0,0,0,0|1,0,0]=3 1820 B10R1.13 CC(c1ccc(cc1)Br)F 1P001R1P [1,1,0,0,0,0|1,0,0]=3 1821 B10R1.13 CC(c1ccc(cc1)Br)N 1P006WO1 [1,1,0,0,0,0|0,0,0]=2 1822 B10R1.13 CC(c1ccc(cc1)Br)N 1P00IGF4 [1,1,0,0,0,0|0,0,0]=2 1823 B10R1.13 CC(c1ccc(cc1)Br)O 1P003DF9 [1,1,0,0,0,0|1,0,0]=3 1824 B10R1.13 CC(c1ccc(cc1)Cl)Br 1P001FUU [1,1,0,0,0,0|1,0,0]=3 1825 B10R1.13 CC(c1ccc(cc1)Cl)C 1P002SQZ [1,1,0,0,0,0|0,0,0]=2 1826 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00DL24 [1,1,0,0,0,0|0,0,0]=2 1827 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00EAR0 [1,1,0,0,0,0|0,0,0]=2 1828 B10R1.13 CC(c1ccc(cc1)Cl)O 1P003DFQ [1,1,0,0,0,0|1,0,0]=3 1829 B10R1.13 CC(c1ccc(cc1)Cl)S 1P01A82Y [1,1,0,0,0,0|1,0,0]=3 1830 B10R1.13 CC(c1ccc(cc1)F)Br 1P00EC6O [1,1,0,0,0,0|1,0,0]=3 1831 B10R1.13 CC(c1ccc(cc1)F)C 1P003ESU [1,1,0,0,0,0|0,0,0]=2 1832 B10R1.13 CC(c1ccc(cc1)F)Cl 1P00DQWN [1,1,0,0,0,0|1,0,0]=3 1833 B10R1.13 CC(c1ccc(cc1)F)N 1P003DGB [1,1,0,0,0,0|0,0,0]=2 1834 B10R1.13 CC(c1ccc(cc1)F)N 1P00CMBL [1,1,0,0,0,0|0,0,0]=2 1835 B10R1.13 CC(c1ccc(cc1)F)O 1P003DGC [1,1,0,0,0,0|1,0,0]=3 1836 B10R1.13 CC(c1ccc(cc1)F)S 1P01A82X [1,1,0,0,0,0|1,0,0]=3 1837 B10R1.13 CC(c1ccc(cc1)I)Br 1P0283HF [1,1,0,0,0,0|1,0,0]=3 1838 B10R1.13 CC(c1ccc(cc1)I)C 1P001ZHJ [1,1,0,0,0,0|0,0,0]=2 1839 B10R1.13 CC(c1ccc(cc1)I)N 1P006KJJ [1,1,0,0,0,0|0,0,0]=2 1840 B10R1.13 CC(c1ccc(cc1)I)O 1P00DZFM [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.13 CC(c1ccc(cc1)N)C 1P0034JO [1,1,0,0,0,0|0,0,0]=2 1842 B10R1.13 CC(c1ccc(cc1)N)O 1P001DTE [1,1,0,0,0,0|1,0,0]=3 1843 B10R1.13 CC(c1ccc(cc1)O)C 1P0034JR [1,1,0,0,0,0|0,0,0]=2 1844 B10R1.13 CC(c1ccc(cc1)O)N 1P009BNU [1,1,0,0,0,0|0,0,0]=2 1845 B10R1.13 CC(c1ccc(cc1)O)N 1P00J27B [1,1,0,0,0,0|0,0,0]=2 1846 B10R1.13 CC(c1ccc(cc1)S)C 1P003CCT [1,1,0,0,0,0|0,0,0]=2 1847 B10R1.13 CC(c1ccc(cc1)S)O 1P01BD1Q [1,1,0,0,0,0|1,0,0]=3 1848 B10R1.13 CC(c1ccc(nn1)Br)C 1P0092XV [1,1,0,0,0,0|2,0,0]=4 1849 B10R1.13 CC(c1ccc(nn1)Br)C 1P009KKH [1,1,0,0,0,0|2,0,0]=4 1850 B10R1.13 CC(c1ccc(nn1)Cl)C 1P00EITN [1,1,0,0,0,0|2,0,0]=4 1851 B10R1.13 CC(c1ccc(nn1)N)C 1P00EDHW [1,1,0,0,0,0|2,0,0]=4 1852 B10R1.13 CC(c1ccc(nn1)S)C 1P02892I [1,1,0,0,0,0|2,0,0]=4 1853 B10R1.13 CC(c1cnc(=O)[nH]c1)C 1P00J31B [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.13 CC(c1cnc(cn1)Cl)N 1P01BDD6 [1,1,0,0,0,0|2,0,0]=4 1855 B10R1.13 CC(c1cnc(cn1)Cl)N 1P0287OD [1,1,0,0,0,0|2,0,0]=4 1856 B10R1.13 CC(c1cnc(nc1)Cl)C 1P00EKAE [1,1,0,0,0,0|2,0,0]=4 1857 B10R1.13 CC(c1cnc(nc1)N)C 1P006SW2 [1,1,0,0,0,0|2,0,0]=4 1858 B10R1.13 CC(c1ncc(cn1)Br)C 1P0096D4 [1,1,0,0,0,0|2,0,0]=4 1859 B10R1.13 CC(c1ncc(cn1)Br)N 1P01AMCF [1,1,0,0,0,0|2,0,0]=4 1860 B10R1.13 CC(c1ncc(cn1)Br)N 1P01FJ5Q [1,1,0,0,0,0|2,0,0]=4 1861 B10R1.13 CC(c1ncc(cn1)F)N 1P009KH9 [1,1,0,0,0,0|2,0,0]=4 1862 B10R1.13 CC(c1ncc(cn1)N)C 1P00IIPV [1,1,0,0,0,0|2,0,0]=4 1863 B10R1.13 CC(c1ncc(nc1)N)C 1P01T3PU [1,1,0,0,0,0|2,0,0]=4 1864 B10R1.13 CC1=CC=C(CC1)C(C)C 1P00IKO6 [1,1,0,0,0,0|0,0,2]=4 1865 B10R1.13 CC1=CCC(=CC1)C(C)C 1P003R7B [1,1,0,0,0,0|0,0,2]=4 1866 B10R1.13 CC1=CCC(C=C1)C(C)C 1P01DOTO [1,1,0,0,0,0|0,0,2]=4 1867 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C 1P003BSE [1,1,0,0,0,0|0,0,2]=4 1868 B10R1.13 CN(c1cc[n+](cc1)[O-])C 1P0002MD [1,1,0,0,0,0|2,0,0]=4 1869 B10R1.13 CN(c1ccc(cc1)Br)C 1P0034F8 [1,1,0,0,0,0|1,0,0]=3 1870 B10R1.13 CN(c1ccc(cc1)Cl)C 1P003LO8 [1,1,0,0,0,0|1,0,0]=3 1871 B10R1.13 CN(c1ccc(cc1)F)C 1P003LW9 [1,1,0,0,0,0|1,0,0]=3 1872 B10R1.13 CN(c1ccc(cc1)I)C 1P005HRP [1,1,0,0,0,0|1,0,0]=3 1873 B10R1.13 CN(c1ccc(cc1)N)C 1P002AEI [1,1,0,0,0,0|1,0,0]=3 1874 B10R1.13 CN(c1ccc(cc1)N)C 1P0035S8 [1,1,0,0,0,0|1,0,0]=3 1875 B10R1.13 CN(c1ccc(cc1)N)C 1P00DEKZ [1,1,0,0,0,0|1,0,0]=3 1876 B10R1.13 CN(c1ccc(cc1)N)C 1P00DET0 [1,1,0,0,0,0|1,0,0]=3 1877 B10R1.13 CN(c1ccc(cc1)N)C 1P00ILYW [1,1,0,0,0,0|1,0,0]=3 1878 B10R1.13 CN(c1ccc(cc1)O)C 1P00IAX4 [1,1,0,0,0,0|1,0,0]=3 1879 B10R1.13 CN(c1ccc(cc1)O)C 1P00IBEJ [1,1,0,0,0,0|1,0,0]=3 1880 B10R1.13 CN(c1ccc(cc1)S)C 1P003KOP [1,1,0,0,0,0|1,0,0]=3 1881 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P0038KT [1,1,0,0,0,0|0,0,0]=2 1882 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P00G42K [1,1,0,0,0,0|0,0,0]=2 1883 B10R1.13 C[C@@H](c1ccc(cc1)Br)O 1P0003B7 [1,1,0,0,0,0|1,0,0]=3 1884 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P003CZG [1,1,0,0,0,0|0,0,0]=2 1885 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P00EJGP [1,1,0,0,0,0|0,0,0]=2 1886 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O 1P003D38 [1,1,0,0,0,0|1,0,0]=3 1887 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P003CTR [1,1,0,0,0,0|0,0,0]=2 1888 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P009CLZ [1,1,0,0,0,0|0,0,0]=2 1889 B10R1.13 C[C@@H](c1ccc(cc1)F)O 1P0004GE [1,1,0,0,0,0|1,0,0]=3 1890 B10R1.13 C[C@@H](c1ccc(cc1)I)N 1P00HSQG [1,1,0,0,0,0|0,0,0]=2 1891 B10R1.13 C[C@@H](c1ccc(cc1)I)O 1P01AH65 [1,1,0,0,0,0|1,0,0]=3 1892 B10R1.13 C[C@@H](c1ccc(cc1)N)O 1P01A474 [1,1,0,0,0,0|1,0,0]=3 1893 B10R1.13 C[C@@H](c1ccc(cc1)O)N 1P01X08H [1,1,0,0,0,0|0,0,0]=2 1894 B10R1.13 C[C@@H](c1ncc(cn1)Br)N 1P027ZNF [1,1,0,0,0,0|2,0,0]=4 1895 B10R1.13 C[C@@H](c1ncc(cn1)F)N 1P00GUDJ [1,1,0,0,0,0|2,0,0]=4 1896 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CL3 [1,1,0,0,0,0|0,0,0]=2 1897 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CNO [1,1,0,0,0,0|0,0,0]=2 1898 B10R1.13 C[C@H](c1ccc(cc1)Br)O 1P003CQX [1,1,0,0,0,0|1,0,0]=3 1899 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P000DML [1,1,0,0,0,0|0,0,0]=2 1900 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P003CNP [1,1,0,0,0,0|0,0,0]=2 1901 B10R1.13 C[C@H](c1ccc(cc1)Cl)O 1P003CQY [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P003CNQ [1,1,0,0,0,0|0,0,0]=2 1903 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P00C70Z [1,1,0,0,0,0|0,0,0]=2 1904 B10R1.13 C[C@H](c1ccc(cc1)F)O 1P0004GH [1,1,0,0,0,0|1,0,0]=3 1905 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P000N1E [1,1,0,0,0,0|0,0,0]=2 1906 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P001MR0 [1,1,0,0,0,0|0,0,0]=2 1907 B10R1.13 C[C@H](c1ccc(cc1)I)O 1P01AAE3 [1,1,0,0,0,0|1,0,0]=3 1908 B10R1.13 C[C@H](c1ccc(cc1)N)O 1P01A4RA [1,1,0,0,0,0|1,0,0]=3 1909 B10R1.13 C[C@H](c1ccc(cc1)O)N 1P01DUO1 [1,1,0,0,0,0|0,0,0]=2 1910 B10R1.13 C[C@H](c1ncc(cn1)Br)N 1P028SHP [1,1,0,0,0,0|2,0,0]=4 1911 B10R1.13 Cc1ccc(cc1)C(=O)C 1P0034KH [1,1,0,0,0,0|1,0,1]=4 1912 B10R1.13 Cc1ccc(cc1)C(Br)C 1P00VUTW [1,1,0,0,0,0|1,0,0]=3 1913 B10R1.13 Cc1ccc(cc1)C(C)C 1P003564 [1,1,0,0,0,0|0,0,0]=2 1914 B10R1.13 Cc1ccc(cc1)C(C)C 1P00IKVY [1,1,0,0,0,0|0,0,0]=2 1915 B10R1.13 Cc1ccc(cc1)C(Cl)C 1P028YLR [1,1,0,0,0,0|1,0,0]=3 1916 B10R1.13 Cc1ccc(cc1)C(N)C 1P0032ZG [1,1,0,0,0,0|0,0,0]=2 1917 B10R1.13 Cc1ccc(cc1)C(O)C 1P003DHB [1,1,0,0,0,0|1,0,0]=3 1918 B10R1.13 Cc1ccc(cc1)N(C)C 1P003SWY [1,1,0,0,0,0|1,0,0]=3 1919 B10R1.13 Cc1ccc(cc1)S(=O)C 1P003EYO [1,1,0,0,0,0|2,0,0]=4 1920 B10R1.13 Cc1ccc(cc1)S(=O)N 1P0034KI [1,1,0,0,0,0|2,0,0]=4 1921 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P003CTT [1,1,0,0,0,0|0,0,0]=2 1922 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P00G7UO [1,1,0,0,0,0|0,0,0]=2 1923 B10R1.13 Cc1ccc(cc1)[C@@H](O)C 1P00DA1A [1,1,0,0,0,0|1,0,0]=3 1924 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P0032V0 [1,1,0,0,0,0|0,0,0]=2 1925 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P00CJ86 [1,1,0,0,0,0|0,0,0]=2 1926 B10R1.13 Cc1ccc(cc1)[C@H](O)C 1P00C0M3 [1,1,0,0,0,0|1,0,0]=3 1927 B10R1.13 Cc1ccc(cc1)[S@@](=O)C 1P003CVR [1,1,0,0,0,0|2,0,0]=4 1928 B10R1.13 Cc1ccc(cc1)[S@@](=O)N 1P002PL9 [1,1,0,0,0,0|2,0,0]=4 1929 B10R1.13 Cc1ccc(cc1)[S@](=O)C 1P003CMM [1,1,0,0,0,0|2,0,0]=4 1930 B10R1.13 Cc1ccc(cc1)[S@](=O)N 1P002HDM [1,1,0,0,0,0|2,0,0]=4 1931 B10R1.13 Cc1ccc(cn1)C(C)C 1P01ADK0 [1,1,0,0,0,0|1,0,0]=3 1932 B10R1.13 Cc1ccc(cn1)C(N)C 1P006LP4 [1,1,0,0,0,0|1,0,0]=3 1933 B10R1.13 Cc1ccc(cn1)C(O)C 1P0001NO [1,1,0,0,0,0|2,0,0]=4 1934 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P00BJS2 [1,1,0,0,0,0|1,0,0]=3 1935 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P024G2C [1,1,0,0,0,0|1,0,0]=3 1936 B10R1.13 Cc1ccc(nc1)C(N)C 1P0046CL [1,1,0,0,0,0|1,0,0]=3 1937 B10R1.13 Cc1ccc(nc1)C(N)C 1P008XPV [1,1,0,0,0,0|1,0,0]=3 1938 B10R1.13 Cc1ccc(nc1)C(O)C 1P00ICNQ [1,1,0,0,0,0|2,0,0]=4 1939 B10R1.13 Cc1cnc(cn1)C(C)C 1P007LEJ [1,1,0,0,0,0|2,0,0]=4 1940 B10R1.13 Cc1cnc(cn1)C(N)C 1P027TQR [1,1,0,0,0,0|2,0,0]=4 1941 B10R1.13 Cc1cnc(nc1)C(N)C 1P028K95 [1,1,0,0,0,0|2,0,0]=4 1942 B10R1.13 Cc1ncc(cn1)C(N)C 1P01XD68 [1,1,0,0,0,0|2,0,0]=4 1943 B10R1.13 ClC(c1ccc(cc1)F)Cl 1P003LVI [1,1,0,0,0,0|2,0,0]=4 1944 B10R1.13 Clc1ccc(cc1)C(Cl)C 1P019YRQ [1,1,0,0,0,0|1,0,0]=3 1945 B10R1.13 Clc1ccc(cc1)C(Cl)Cl 1P001BEK [1,1,0,0,0,0|2,0,0]=4 1946 B10R1.13 Clc1ccc(cc1)S(=O)C 1P00GS94 [1,1,0,0,0,0|2,0,0]=4 1947 B10R1.13 Clc1ccc(cn1)C(Br)C 1P01BQIM [1,1,0,0,0,0|2,0,0]=4 1948 B10R1.13 Clc1ccc(cn1)C(C)C 1P01A3BJ [1,1,0,0,0,0|1,0,0]=3 1949 B10R1.13 Clc1ccc(cn1)C(N)C 1P009XYF [1,1,0,0,0,0|1,0,0]=3 1950 B10R1.13 Clc1ccc(cn1)C(O)C 1P00C3HJ [1,1,0,0,0,0|2,0,0]=4 1951 B10R1.13 Clc1ccc(cn1)N(C)C 1P00CLS8 [1,1,0,0,0,0|2,0,0]=4 1952 B10R1.13 Clc1ccc(cn1)[C@@H](N)C 1P01KKL8 [1,1,0,0,0,0|1,0,0]=3 1953 B10R1.13 Clc1ccc(cn1)[C@@H](N)C 1P01XGHO [1,1,0,0,0,0|1,0,0]=3 1954 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01DUQ4 [1,1,0,0,0,0|1,0,0]=3 1955 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01V2JD [1,1,0,0,0,0|1,0,0]=3 1956 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01XGHP [1,1,0,0,0,0|1,0,0]=3 1957 B10R1.13 Clc1ccc(nc1)C(Br)C 1P028OW9 [1,1,0,0,0,0|2,0,0]=4 1958 B10R1.13 Clc1ccc(nc1)C(N)C 1P01AGR4 [1,1,0,0,0,0|1,0,0]=3 1959 B10R1.13 Clc1ccc(nc1)C(O)C 1P01B4TW [1,1,0,0,0,0|2,0,0]=4 1960 B10R1.13 Clc1ccc(nc1)N(C)C 1P002SEQ [1,1,0,0,0,0|2,0,0]=4 1961 B10R1.13 Clc1ccc(nc1)[C@@H](N)C 1P00H2T0 [1,1,0,0,0,0|1,0,0]=3 1962 B10R1.13 Clc1ccc(nc1)[C@@H](N)C 1P01AGOM [1,1,0,0,0,0|1,0,0]=3 1963 B10R1.13 Clc1ccc(nc1)[C@@H](O)C 1P01AGOI [1,1,0,0,0,0|2,0,0]=4 1964 B10R1.13 Clc1ccc(nc1)[C@H](N)C 1P01AGO6 [1,1,0,0,0,0|1,0,0]=3 1965 B10R1.13 Clc1ccc(nc1)[C@H](O)C 1P01AGOS [1,1,0,0,0,0|2,0,0]=4 1966 B10R1.13 FC(c1ccc(cc1)Br)F 1P00336G [1,1,0,0,0,0|2,0,0]=4 1967 B10R1.13 FC(c1ccc(cc1)C)F 1P01CAO3 [1,1,0,0,0,0|2,0,0]=4 1968 B10R1.13 FC(c1ccc(cc1)Cl)F 1P00702N [1,1,0,0,0,0|2,0,0]=4 1969 B10R1.13 FC(c1ccc(cc1)I)F 1P01C1LJ [1,1,0,0,0,0|2,0,0]=4 1970 B10R1.13 FC(c1ccc(cc1)N)F 1P01BJQU [1,1,0,0,0,0|2,0,0]=4 1971 B10R1.13 FC(c1ccc(cc1)S)F 1P027TXT [1,1,0,0,0,0|2,0,0]=4 1972 B10R1.13 Fc1ccc(cc1)C(F)F 1P00C3CH [1,1,0,0,0,0|2,0,0]=4 1973 B10R1.13 Fc1ccc(cc1)S(=O)C 1P00FD2V [1,1,0,0,0,0|2,0,0]=4 1974 B10R1.13 Fc1ccc(cn1)C(Br)C 1P01BYAE [1,1,0,0,0,0|2,0,0]=4 1975 B10R1.13 Fc1ccc(cn1)C(C)C 1P00JXFK [1,1,0,0,0,0|1,0,0]=3 1976 B10R1.13 Fc1ccc(cn1)C(N)C 1P01BSXW [1,1,0,0,0,0|1,0,0]=3 1977 B10R1.13 Fc1ccc(cn1)C(O)C 1P0096DG [1,1,0,0,0,0|2,0,0]=4 1978 B10R1.13 Fc1ccc(cn1)N(C)C 1P00I1QS [1,1,0,0,0,0|2,0,0]=4 1979 B10R1.13 Fc1ccc(nc1)C(N)C 1P01B583 [1,1,0,0,0,0|1,0,0]=3 1980 B10R1.13 Fc1ccc(nc1)C(O)C 1P01BAHP [1,1,0,0,0,0|2,0,0]=4 1981 B10R1.13 Fc1ccc(nc1)[C@@H](N)C 1P00H1GE [1,1,0,0,0,0|1,0,0]=3 1982 B10R1.13 Fc1ccc(nc1)[C@@H](N)C 1P00HG9L [1,1,0,0,0,0|1,0,0]=3 1983 B10R1.13 Fc1ccc(nc1)[C@@H](O)C 1P01C38P [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.13 Fc1ccc(nc1)[C@H](N)C 1P00HFRM [1,1,0,0,0,0|1,0,0]=3 1985 B10R1.13 Fc1ccc(nc1)[C@H](N)C 1P01C38A [1,1,0,0,0,0|1,0,0]=3 1986 B10R1.13 Fc1ccc(nc1)[C@H](O)C 1P01C38M [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.13 Ic1ccc(nc1)N(C)C 1P00CJ8Q [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.13 NC(=N)c1ccc(cc1)Br 1P0034ES [1,1,0,0,0,0|1,0,1]=4 1989 B10R1.13 NC(=N)c1ccc(cc1)Br 1P006ZLZ [1,1,0,0,0,0|1,0,1]=4 1990 B10R1.13 NC(=N)c1ccc(cc1)C 1P00IBNC [1,1,0,0,0,0|1,0,1]=4 1991 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P001J9E [1,1,0,0,0,0|1,0,1]=4 1992 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P00AP7K [1,1,0,0,0,0|1,0,1]=4 1993 B10R1.13 NC(=N)c1ccc(cc1)F 1P002NJF [1,1,0,0,0,0|1,0,1]=4 1994 B10R1.13 NC(=N)c1ccc(cc1)F 1P00I8ZO [1,1,0,0,0,0|1,0,1]=4 1995 B10R1.13 NC(=N)c1ccc(cc1)I 1P009GFR [1,1,0,0,0,0|1,0,1]=4 1996 B10R1.13 NC(=N)c1ccc(cc1)O 1P0034IQ [1,1,0,0,0,0|1,0,1]=4 1997 B10R1.13 NC(=O)c1ccc(cc1)Br 1P00FARZ [1,1,0,0,0,0|1,0,1]=4 1998 B10R1.13 NC(=O)c1ccc(cc1)C 1P003UHI [1,1,0,0,0,0|1,0,1]=4 1999 B10R1.13 NC(=O)c1ccc(cc1)Cl 1P00IBEI [1,1,0,0,0,0|1,0,1]=4 2000 B10R1.13 NC(=O)c1ccc(cc1)F 1P003LVJ [1,1,0,0,0,0|1,0,1]=4 2001 B10R1.13 NC(=O)c1ccc(cc1)I 1P003M19 [1,1,0,0,0,0|1,0,1]=4 2002 B10R1.13 NC(=O)c1ccc(cc1)O 1P0018KP [1,1,0,0,0,0|1,0,1]=4 2003 B10R1.13 NC(=O)c1ccc(cc1)O 1P003LZM [1,1,0,0,0,0|1,0,1]=4 2004 B10R1.13 NC(=O)c1ccc(cc1)S 1P01DWZC [1,1,0,0,0,0|1,0,1]=4 2005 B10R1.13 NC(=S)c1ccc(cc1)Br 1P002SP4 [1,1,0,0,0,0|1,0,1]=4 2006 B10R1.13 NC(=S)c1ccc(cc1)C 1P002OEQ [1,1,0,0,0,0|1,0,1]=4 2007 B10R1.13 NC(=S)c1ccc(cc1)Cl 1P002REP [1,1,0,0,0,0|1,0,1]=4 2008 B10R1.13 NC(=S)c1ccc(cc1)F 1P00709Q [1,1,0,0,0,0|1,0,1]=4 2009 B10R1.13 NC(=S)c1ccc(cc1)O 1P003M0N [1,1,0,0,0,0|1,0,1]=4 2010 B10R1.13 Nc1ccc(cc1)C(=N)N 1P002QJF [1,1,0,0,0,0|1,0,1]=4 2011 B10R1.13 Nc1ccc(cc1)C(=N)N 1P005T2T [1,1,0,0,0,0|1,0,1]=4 2012 B10R1.13 Nc1ccc(cc1)C(=O)N 1P003L7G [1,1,0,0,0,0|1,0,1]=4 2013 B10R1.13 Nc1ccc(cc1)C(=S)N 1P003L8W [1,1,0,0,0,0|1,0,1]=4 2014 B10R1.13 Nc1ccc(cc1)C(N)C 1P00GVQT [1,1,0,0,0,0|0,0,0]=2 2015 B10R1.13 Nc1ccc(cc1)S(=O)C 1P00BI2O [1,1,0,0,0,0|2,0,0]=4 2016 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00BH2Y [1,1,0,0,0,0|0,0,0]=2 2017 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00FEPL [1,1,0,0,0,0|0,0,0]=2 2018 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P000WVW [1,1,0,0,0,0|0,0,0]=2 2019 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P00FCWH [1,1,0,0,0,0|0,0,0]=2 2020 B10R1.13 Nc1ccc(cn1)C(C)C 1P00EDI5 [1,1,0,0,0,0|1,0,0]=3 2021 B10R1.13 Nc1ccc(cn1)N(C)C 1P0077CP [1,1,0,0,0,0|2,0,0]=4 2022 B10R1.13 Nc1ccc(cn1)N(C)C 1P01B6SB [1,1,0,0,0,0|2,0,0]=4 2023 B10R1.13 Nc1ccc(nc1)C(C)C 1P0037ZE [1,1,0,0,0,0|1,0,0]=3 2024 B10R1.13 Nc1ccc(nc1)C(C)C 1P01JV67 [1,1,0,0,0,0|1,0,0]=3 2025 B10R1.13 Nc1ccc(nc1)N(C)C 1P00BC5P [1,1,0,0,0,0|2,0,0]=4 2026 B10R1.13 Nc1ccc(nc1)N(C)C 1P00DD5Y [1,1,0,0,0,0|2,0,0]=4 2027 B10R1.13 Nc1ccc(nc1)N(C)C 1P01F9BJ [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.13 Oc1ccc(cc1)C(O)C 1P00BCJG [1,1,0,0,0,0|1,0,0]=3 2029 B10R1.13 Oc1ccc(cc1)[C@@H](O)C 1P01AV7H [1,1,0,0,0,0|1,0,0]=3 2030 B10R1.13 Oc1ccc(cc1)[C@H](O)C 1P01AV7P [1,1,0,0,0,0|1,0,0]=3 2031 B10R1.13 Oc1ccc(cc1)[S+](C)C 1P003M0G [1,1,0,0,0,0|1,0,0]=3 2032 B10R1.13 Oc1ccc(cn1)C(N)C 1P02882C [1,1,0,0,0,0|1,0,0]=3 2033 B10R1.13 Oc1ccc(cn1)[C@@H](N)C 1P028N38 [1,1,0,0,0,0|1,0,0]=3 2034 B10R1.13 Oc1ccc(cn1)[C@H](N)C 1P028LCQ [1,1,0,0,0,0|1,0,0]=3 2035 B10R1.13 Sc1ccc(nc1)N(C)C 1P00G278 [1,1,0,0,0,0|2,0,0]=4 2036 B10R1.28 CC(c1ccccc1)(Br)C 1P01EMEJ [1,1,0,0,0,0|0,0,0]=2 2037 B10R1.28 CC(c1ccccc1)(C)C 1P003V27 [1,1,0,0,0,0|0,0,0]=2 2038 B10R1.28 CC(c1ccccc1)(Cl)C 1P00GTI7 [1,1,0,0,0,0|0,0,0]=2 2039 B10R1.28 CC(c1ccccc1)(N)C 1P0036GZ [1,1,0,0,0,0|0,0,0]=2 2040 B10R1.28 CC(c1ccccc1)(O)C 1P003IBQ [1,1,0,0,0,0|0,0,0]=2 2041 B10R1.28 CC(c1ccccc1)(S)C 1P001UF2 [1,1,0,0,0,0|0,0,0]=2 2042 B10R1.28 CC(c1ccccn1)(F)F 1P009UZR [1,1,0,0,0,0|2,0,0]=4 2043 B10R1.28 CC(c1ccccn1)(N)C 1P000OR0 [1,1,0,0,0,0|1,0,0]=3 2044 B10R1.28 CC(c1ccccn1)(N)C 1P00DBUP [1,1,0,0,0,0|1,0,0]=3 2045 B10R1.28 CC(c1ccccn1)(O)C 1P00C80J [1,1,0,0,0,0|1,0,0]=3 2046 B10R1.28 CC(c1cccnc1)(C)C 1P00D3UF [1,1,0,0,0,0|1,0,0]=3 2047 B10R1.28 CC(c1cccnc1)(N)C 1P003FB2 [1,1,0,0,0,0|1,0,0]=3 2048 B10R1.28 CC(c1cccnc1)(O)C 1P001MYP [1,1,0,0,0,0|1,0,0]=3 2049 B10R1.28 CC(c1ccncc1)(C)C 1P0034M5 [1,1,0,0,0,0|1,0,0]=3 2050 B10R1.28 CC(c1ccncc1)(N)C 1P003FE7 [1,1,0,0,0,0|1,0,0]=3 2051 B10R1.28 CC(c1ccncc1)(O)C 1P001MYO [1,1,0,0,0,0|1,0,0]=3 2052 B10R1.28 CC(c1ncccn1)(N)C 1P01AV4K [1,1,0,0,0,0|2,0,0]=4 2053 B10R1.28 CC(c1ncccn1)(N)C 1P01JVF1 [1,1,0,0,0,0|2,0,0]=4 2054 B10R1.28 CC(c1ncccn1)(O)C 1P01BCT0 [1,1,0,0,0,0|2,0,0]=4 2055 B10R1.28 CC(c1nccnc1)(C)C 1P003IEI [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.28 CP(=O)(c1ccccc1)C 1P01PGUE [1,1,0,0,0,0|1,0,0]=3 2057 B10R1.28 CP(=O)(c1ccccc1)Cl 1P003SKW [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.28 CP(=O)(c1ccccn1)C 1P028NP1 [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.28 CP(=O)(c1cccnc1)C 1P028MT4 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.28 CP(=O)(c1ccncc1)C 1P020M3I [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.28 CP(c1ccccc1)([B+3])C 1P00CI08 [1,1,0,0,0,0|1,0,0]=3 2062 B10R1.28 CS(=O)(=N)c1ccccc1 1P00E023 [1,1,0,0,0,0|1,0,1]=4 2063 B10R1.28 CS(=O)(=O)c1ccccc1 1P0032MP [1,1,0,0,0,0|2,0,0]=4 2064 B10R1.28 C[N+](c1ccccc1)(C)C 1P0018A2 [1,1,0,0,0,0|1,0,0]=3 2065 B10R1.28 C[N+](c1ccccc1)(C)C 1P001SIH [1,1,0,0,0,0|1,0,0]=3 2066 B10R1.28 C[N+](c1ccccc1)(C)C 1P003U7B [1,1,0,0,0,0|1,0,0]=3 2067 B10R1.28 C[N+](c1ccccc1)(C)C 1P003VKU [1,1,0,0,0,0|1,0,0]=3 2068 B10R1.28 C[S@@](=O)(=N)c1ccccc1 1P003CYS [1,1,0,0,0,0|1,0,1]=4 2069 B10R1.28 C[Si](c1ccccc1)(C)C 1P003VK8 [1,1,0,0,0,0|0,1,0]=3 2070 B10R1.28 C[Si](c1ccccc1)(Cl)C 1P003PAA [1,1,0,0,0,0|0,1,0]=3 2071 B10R1.28 C[Si](c1ccccc1)(O)C 1P003Q46 [1,1,0,0,0,0|0,1,0]=3 2072 B10R1.28 C[Si](c1ccccn1)(C)C 1P0013NQ [1,1,0,0,0,0|1,1,0]=4 2073 B10R1.28 C[Si](c1cccnc1)(C)C 1P001ZMX [1,1,0,0,0,0|1,1,0]=4 2074 B10R1.28 C[Sn](c1ccccn1)(C)C 1P0013NP [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.28 FC(c1ccccc1)(Br)Br 1P01C0YZ [1,1,0,0,0,0|2,0,0]=4 2076 B10R1.28 FC(c1ccccc1)(Br)F 1P0050UM [1,1,0,0,0,0|2,0,0]=4 2077 B10R1.28 FC(c1ccccc1)(Cl)F 1P00C915 [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.28 FC(c1ccccc1)(F)F 1P00IKGR [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.28 NP(=O)(c1ccccc1)N 1P00DT3N [1,1,0,0,0,0|2,0,0]=4 2080 B10R1.28 NS(=O)(=O)c1ccccc1 1P0034YD [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.28 O=S(C1=CC=CC=C1)(N)=N 1P01K4LQ [1,1,0,0,0,0|2,0,0]=4 2082 B10R1.28 [O-][Si](c1ccccc1)(C)C 1P003Q47 [1,1,0,0,0,0|0,1,0]=3 2083 B10R1.61 BrC(c1ccccc1F)Br 1P01FO1J [1,1,0,0,0,0|2,0,0]=4 2084 B10R1.61 CC(=C)c1ccccc1Br 1P005H4B [1,1,0,0,0,0|0,0,2]=4 2085 B10R1.61 CC(=C)c1ccccc1F 1P01ACS1 [1,1,0,0,0,0|0,0,2]=4 2086 B10R1.61 CC(=C)c1ccccc1I 1P01GLJL [1,1,0,0,0,0|0,0,2]=4 2087 B10R1.61 CC(=C)c1ccccc1N 1P00DF51 [1,1,0,0,0,0|0,0,2]=4 2088 B10R1.61 CC(=O)c1ccccc1Br 1P00I4LL [1,1,0,0,0,0|1,0,1]=4 2089 B10R1.61 CC(=O)c1ccccc1C 1P003I51 [1,1,0,0,0,0|1,0,1]=4 2090 B10R1.61 CC(=O)c1ccccc1Cl 1P0033J6 [1,1,0,0,0,0|1,0,1]=4 2091 B10R1.61 CC(=O)c1ccccc1F 1P003GQQ [1,1,0,0,0,0|1,0,1]=4 2092 B10R1.61 CC(=O)c1ccccc1I 1P0033TR [1,1,0,0,0,0|1,0,1]=4 2093 B10R1.61 CC(=O)c1ccccc1N 1P0033KO [1,1,0,0,0,0|1,0,1]=4 2094 B10R1.61 CC(=O)c1ccccc1N 1P003GQI [1,1,0,0,0,0|1,0,1]=4 2095 B10R1.61 CC(=O)c1ccccc1O 1P0033TC [1,1,0,0,0,0|1,0,1]=4 2096 B10R1.61 CC(=O)c1ccccc1S 1P00BFT3 [1,1,0,0,0,0|1,0,1]=4 2097 B10R1.61 CC(c1ccc[nH]c1=O)N 1P01XCEB [1,1,0,0,0,0|1,0,0]=3 2098 B10R1.61 CC(c1ccccc1Br)Br 1P019XVS [1,1,0,0,0,0|1,0,0]=3 2099 B10R1.61 CC(c1ccccc1Br)C 1P003EJ7 [1,1,0,0,0,0|0,0,0]=2 2100 B10R1.61 CC(c1ccccc1Br)Cl 1P01DKNF [1,1,0,0,0,0|1,0,0]=3 2101 B10R1.61 CC(c1ccccc1Br)N 1P000AHK [1,1,0,0,0,0|0,0,0]=2 2102 B10R1.61 CC(c1ccccc1Br)N 1P0092T3 [1,1,0,0,0,0|0,0,0]=2 2103 B10R1.61 CC(c1ccccc1Br)O 1P003DA9 [1,1,0,0,0,0|1,0,0]=3 2104 B10R1.61 CC(c1ccccc1C)Br 1P01A1EI [1,1,0,0,0,0|1,0,0]=3 2105 B10R1.61 CC(c1ccccc1C)N 1P003DBW [1,1,0,0,0,0|0,0,0]=2 2106 B10R1.61 CC(c1ccccc1C)N 1P003DBX [1,1,0,0,0,0|0,0,0]=2 2107 B10R1.61 CC(c1ccccc1C)O 1P003DBY [1,1,0,0,0,0|1,0,0]=3 2108 B10R1.61 CC(c1ccccc1Cl)Br 1P019WZ5 [1,1,0,0,0,0|1,0,0]=3 2109 B10R1.61 CC(c1ccccc1Cl)Cl 1P003ENU [1,1,0,0,0,0|1,0,0]=3 2110 B10R1.61 CC(c1ccccc1Cl)N 1P003DAL [1,1,0,0,0,0|0,0,0]=2 2111 B10R1.61 CC(c1ccccc1Cl)N 1P004TXJ [1,1,0,0,0,0|0,0,0]=2 2112 B10R1.61 CC(c1ccccc1Cl)O 1P003DAM [1,1,0,0,0,0|1,0,0]=3 2113 B10R1.61 CC(c1ccccc1Cl)S 1P019Y2B [1,1,0,0,0,0|1,0,0]=3 2114 B10R1.61 CC(c1ccccc1F)Br 1P00CMDW [1,1,0,0,0,0|1,0,0]=3 2115 B10R1.61 CC(c1ccccc1F)C 1P0028LT [1,1,0,0,0,0|0,0,0]=2 2116 B10R1.61 CC(c1ccccc1F)Cl 1P00JZKB [1,1,0,0,0,0|1,0,0]=3 2117 B10R1.61 CC(c1ccccc1F)N 1P0059PI [1,1,0,0,0,0|0,0,0]=2 2118 B10R1.61 CC(c1ccccc1F)O 1P003DB1 [1,1,0,0,0,0|1,0,0]=3 2119 B10R1.61 CC(c1ccccc1F)S 1P01A8HI [1,1,0,0,0,0|1,0,0]=3 2120 B10R1.61 CC(c1ccccc1I)C 1P002FFC [1,1,0,0,0,0|0,0,0]=2 2121 B10R1.61 CC(c1ccccc1N)C 1P003HYD [1,1,0,0,0,0|0,0,0]=2 2122 B10R1.61 CC(c1ccccc1N)N 1P01A3PI [1,1,0,0,0,0|0,0,0]=2 2123 B10R1.61 CC(c1ccccc1N)O 1P003D9Y [1,1,0,0,0,0|1,0,0]=3 2124 B10R1.61 CC(c1ccccc1O)C 1P0047XW [1,1,0,0,0,0|0,0,0]=2 2125 B10R1.61 CC(c1ccccc1O)N 1P00H1GO [1,1,0,0,0,0|0,0,0]=2 2126 B10R1.61 CC(c1ccccc1O)O 1P01DL38 [1,1,0,0,0,0|1,0,0]=3 2127 B10R1.61 CC(c1ccccc1S)C 1P003HYE [1,1,0,0,0,0|0,0,0]=2 2128 B10R1.61 CC(c1cccnc1Br)Br 1P01BQIP [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.61 CC(c1cccnc1Br)C 1P01FPCO [1,1,0,0,0,0|1,0,0]=3 2130 B10R1.61 CC(c1cccnc1C)N 1P00H2TM [1,1,0,0,0,0|1,0,0]=3 2131 B10R1.61 CC(c1cccnc1C)N 1P028K8Y [1,1,0,0,0,0|1,0,0]=3 2132 B10R1.61 CC(c1cccnc1C)O 1P01B7I5 [1,1,0,0,0,0|2,0,0]=4 2133 B10R1.61 CC(c1cccnc1Cl)O 1P00100N [1,1,0,0,0,0|2,0,0]=4 2134 B10R1.61 CC(c1cccnc1F)N 1P01UNGB [1,1,0,0,0,0|1,0,0]=3 2135 B10R1.61 CC(c1cccnc1F)O 1P00GB0N [1,1,0,0,0,0|2,0,0]=4 2136 B10R1.61 CC(c1cccnc1N)C 1P00ILHF [1,1,0,0,0,0|1,0,0]=3 2137 B10R1.61 CC(c1cccnc1N)N 1P0174Q9 [1,1,0,0,0,0|1,0,0]=3 2138 B10R1.61 CC(c1cccnc1N)N 1P027TVU [1,1,0,0,0,0|1,0,0]=3 2139 B10R1.61 CC(c1ccncc1Br)C 1P006BCM [1,1,0,0,0,0|1,0,0]=3 2140 B10R1.61 CC(c1ccncc1C)N 1P02858U [1,1,0,0,0,0|1,0,0]=3 2141 B10R1.61 CC(c1ccncc1Cl)O 1P024HLR [1,1,0,0,0,0|2,0,0]=4 2142 B10R1.61 CC(c1ccncc1F)O 1P00IF6M [1,1,0,0,0,0|2,0,0]=4 2143 B10R1.61 CC(c1ccncc1N)C 1P024VOC [1,1,0,0,0,0|1,0,0]=3 2144 B10R1.61 CC(c1cnccc1C)N 1P01A4NT [1,1,0,0,0,0|1,0,0]=3 2145 B10R1.61 CC(c1cnccc1C)O 1P009SOU [1,1,0,0,0,0|2,0,0]=4 2146 B10R1.61 CC(c1cnccc1N)C 1P00IGI9 [1,1,0,0,0,0|1,0,0]=3 2147 B10R1.61 CC(c1cnccc1O)C 1P01DZ0R [1,1,0,0,0,0|1,0,0]=3 2148 B10R1.61 CC(c1cnccc1O)N 1P028OZO [1,1,0,0,0,0|1,0,0]=3 2149 B10R1.61 CC(c1cncnc1Cl)C 1P0005CE [1,1,0,0,0,0|2,0,0]=4 2150 B10R1.61 CC(c1cncnc1N)C 1P00E0ZX [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.61 CC(c1ncc[nH]c1=O)C 1P00BVBN [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.61 CC(c1ncccc1Br)C 1P01K17I [1,1,0,0,0,0|1,0,0]=3 2153 B10R1.61 CC(c1ncccc1Br)N 1P01JV6R [1,1,0,0,0,0|1,0,0]=3 2154 B10R1.61 CC(c1ncccc1C)N 1P008O6T [1,1,0,0,0,0|1,0,0]=3 2155 B10R1.61 CC(c1ncccc1C)N 1P01DE8D [1,1,0,0,0,0|1,0,0]=3 2156 B10R1.61 CC(c1ncccc1C)O 1P00IDDS [1,1,0,0,0,0|2,0,0]=4 2157 B10R1.61 CC(c1ncccc1Cl)N 1P028JLT [1,1,0,0,0,0|1,0,0]=3 2158 B10R1.61 CC(c1ncccc1F)N 1P009YRQ [1,1,0,0,0,0|1,0,0]=3 2159 B10R1.61 CC(c1ncccc1F)N 1P01C2U2 [1,1,0,0,0,0|1,0,0]=3 2160 B10R1.61 CC(c1ncccc1F)O 1P003DDM [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.61 CC(c1ncccc1N)C 1P01BICZ [1,1,0,0,0,0|1,0,0]=3 2162 B10R1.61 CC(c1ncccc1O)C 1P002HLD [1,1,0,0,0,0|1,0,0]=3 2163 B10R1.61 CC(c1nccnc1C)N 1P01BSMC [1,1,0,0,0,0|2,0,0]=4 2164 B10R1.61 CC(c1nccnc1Cl)C 1P00EK8L [1,1,0,0,0,0|2,0,0]=4 2165 B10R1.61 CC(c1nccnc1Cl)N 1P02235G [1,1,0,0,0,0|2,0,0]=4 2166 B10R1.61 CC(c1nccnc1N)C 1P01BIHV [1,1,0,0,0,0|2,0,0]=4 2167 B10R1.61 CC(c1ncncc1Br)C 1P00374C [1,1,0,0,0,0|2,0,0]=4 2168 B10R1.61 CC(c1ncncc1N)C 1P01FJTP [1,1,0,0,0,0|2,0,0]=4 2169 B10R1.61 CC(c1ncncc1N)C 1P01FJTQ [1,1,0,0,0,0|2,0,0]=4 2170 B10R1.61 CC(c1ncncc1O)C 1P0282FI [1,1,0,0,0,0|2,0,0]=4 2171 B10R1.61 CN(c1ccccc1Br)C 1P00FB2Q [1,1,0,0,0,0|1,0,0]=3 2172 B10R1.61 CN(c1ccccc1C)C 1P0035RI [1,1,0,0,0,0|1,0,0]=3 2173 B10R1.61 CN(c1ccccc1F)C 1P00C7MB [1,1,0,0,0,0|1,0,0]=3 2174 B10R1.61 CN(c1ccccc1I)C 1P01A1PS [1,1,0,0,0,0|1,0,0]=3 2175 B10R1.61 CN(c1ccccc1N)C 1P00BGJW [1,1,0,0,0,0|1,0,0]=3 2176 B10R1.61 CN(c1ccccc1O)C 1P003AK2 [1,1,0,0,0,0|1,0,0]=3 2177 B10R1.61 CN(c1ccccc1O)C 1P01K0CF [1,1,0,0,0,0|1,0,0]=3 2178 B10R1.61 CN(c1cccnc1N)C 1P01A7DQ [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.61 CN(c1ccncc1Br)C 1P0054D9 [1,1,0,0,0,0|2,0,0]=4 2180 B10R1.61 CN(c1ccncc1N)C 1P019VBI [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.61 CN(c1ccncc1N)C 1P028ZLR [1,1,0,0,0,0|2,0,0]=4 2182 B10R1.61 CN(c1cnccc1N)C 1P01A6MO [1,1,0,0,0,0|2,0,0]=4 2183 B10R1.61 CN(c1cnccc1N)C 1P02859L [1,1,0,0,0,0|2,0,0]=4 2184 B10R1.61 CN(c1ncccc1Br)C 1P00960E [1,1,0,0,0,0|2,0,0]=4 2185 B10R1.61 CN(c1ncccc1N)C 1P00J2OT [1,1,0,0,0,0|2,0,0]=4 2186 B10R1.61 CN(c1ncccc1N)C 1P00J3KS [1,1,0,0,0,0|2,0,0]=4 2187 B10R1.61 CN(c1ncccc1O)C 1P00CH10 [1,1,0,0,0,0|2,0,0]=4 2188 B10R1.61 CN(c1ncccc1S)C 1P028008 [1,1,0,0,0,0|2,0,0]=4 2189 B10R1.61 CS(=O)c1ccccc1Br 1P00ICU5 [1,1,0,0,0,0|2,0,0]=4 2190 B10R1.61 CS(=O)c1ccccc1N 1P019WQG [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.61 CS(=O)c1ccccc1O 1P008565 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.61 C[C@@H](c1ccccc1Br)N 1P001D2B [1,1,0,0,0,0|0,0,0]=2 2193 B10R1.61 C[C@@H](c1ccccc1Br)N 1P008ZLH [1,1,0,0,0,0|0,0,0]=2 2194 B10R1.61 C[C@@H](c1ccccc1Br)O 1P000EVE [1,1,0,0,0,0|1,0,0]=3 2195 B10R1.61 C[C@@H](c1ccccc1C)N 1P0014ZZ [1,1,0,0,0,0|0,0,0]=2 2196 B10R1.61 C[C@@H](c1ccccc1C)N 1P00G60I [1,1,0,0,0,0|0,0,0]=2 2197 B10R1.61 C[C@@H](c1ccccc1C)O 1P00DA1B [1,1,0,0,0,0|1,0,0]=3 2198 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P005LCN [1,1,0,0,0,0|0,0,0]=2 2199 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P009ZP2 [1,1,0,0,0,0|0,0,0]=2 2200 B10R1.61 C[C@@H](c1ccccc1Cl)O 1P0010AH [1,1,0,0,0,0|1,0,0]=3 2201 B10R1.61 C[C@@H](c1ccccc1F)N 1P001501 [1,1,0,0,0,0|0,0,0]=2 2202 B10R1.61 C[C@@H](c1ccccc1F)N 1P006CBN [1,1,0,0,0,0|0,0,0]=2 2203 B10R1.61 C[C@@H](c1ccccc1F)O 1P007UPU [1,1,0,0,0,0|1,0,0]=3 2204 B10R1.61 C[C@@H](c1ccccc1O)N 1P007NTC [1,1,0,0,0,0|0,0,0]=2 2205 B10R1.61 C[C@@H](c1ccccc1O)N 1P024HV8 [1,1,0,0,0,0|0,0,0]=2 2206 B10R1.61 C[C@@H](c1cccnc1C)N 1P028OLA [1,1,0,0,0,0|1,0,0]=3 2207 B10R1.61 C[C@@H](c1cccnc1F)N 1P028EX4 [1,1,0,0,0,0|1,0,0]=3 2208 B10R1.61 C[C@@H](c1cccnc1F)O 1P0288J7 [1,1,0,0,0,0|2,0,0]=4 2209 B10R1.61 C[C@@H](c1ccncc1Cl)N 1P02841H [1,1,0,0,0,0|1,0,0]=3 2210 B10R1.61 C[C@@H](c1ccncc1Cl)O 1P028Z6D [1,1,0,0,0,0|2,0,0]=4 2211 B10R1.61 C[C@@H](c1ccncc1F)N 1P028KRS [1,1,0,0,0,0|1,0,0]=3 2212 B10R1.61 C[C@@H](c1cnccc1Cl)O 1P024ZGG [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01C38K [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01XBYD [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.61 C[C@@H](c1ncccc1Cl)N 1P01R1ZY [1,1,0,0,0,0|1,0,0]=3 2216 B10R1.61 C[C@@H](c1ncccc1F)N 1P01BGT9 [1,1,0,0,0,0|1,0,0]=3 2217 B10R1.61 C[C@@H](c1ncccc1F)O 1P01BGYU [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.61 C[C@@H](c1nccnc1C)N 1P01FJTG [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.61 C[C@H](c1ccccc1Br)N 1P000AOU [1,1,0,0,0,0|0,0,0]=2 2220 B10R1.61 C[C@H](c1ccccc1Br)N 1P0092RK [1,1,0,0,0,0|0,0,0]=2 2221 B10R1.61 C[C@H](c1ccccc1Br)O 1P0058C2 [1,1,0,0,0,0|1,0,0]=3 2222 B10R1.61 C[C@H](c1ccccc1C)N 1P008HMX [1,1,0,0,0,0|0,0,0]=2 2223 B10R1.61 C[C@H](c1ccccc1C)N 1P008Y12 [1,1,0,0,0,0|0,0,0]=2 2224 B10R1.61 C[C@H](c1ccccc1C)O 1P00CLM3 [1,1,0,0,0,0|1,0,0]=3 2225 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000DMI [1,1,0,0,0,0|0,0,0]=2 2226 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000XTH [1,1,0,0,0,0|0,0,0]=2 2227 B10R1.61 C[C@H](c1ccccc1Cl)O 1P003CNI [1,1,0,0,0,0|1,0,0]=3 2228 B10R1.61 C[C@H](c1ccccc1F)N 1P000DPW [1,1,0,0,0,0|0,0,0]=2 2229 B10R1.61 C[C@H](c1ccccc1F)N 1P007790 [1,1,0,0,0,0|0,0,0]=2 2230 B10R1.61 C[C@H](c1ccccc1F)O 1P00HZ87 [1,1,0,0,0,0|1,0,0]=3 2231 B10R1.61 C[C@H](c1ccccc1O)N 1P000LS1 [1,1,0,0,0,0|0,0,0]=2 2232 B10R1.61 C[C@H](c1ccccc1O)N 1P01BTZ7 [1,1,0,0,0,0|0,0,0]=2 2233 B10R1.61 C[C@H](c1ccccc1O)O 1P023PVI [1,1,0,0,0,0|1,0,0]=3 2234 B10R1.61 C[C@H](c1cccnc1F)N 1P028EHU [1,1,0,0,0,0|1,0,0]=3 2235 B10R1.61 C[C@H](c1cccnc1F)O 1P024V0A [1,1,0,0,0,0|2,0,0]=4 2236 B10R1.61 C[C@H](c1ccncc1Br)O 1P01BUCK [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.61 C[C@H](c1ccncc1Cl)N 1P0285GE [1,1,0,0,0,0|1,0,0]=3 2238 B10R1.61 C[C@H](c1ccncc1Cl)O 1P028ZSS [1,1,0,0,0,0|2,0,0]=4 2239 B10R1.61 C[C@H](c1cnccc1Cl)O 1P028JWR [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.61 C[C@H](c1cncnc1C)N 1P01BE0I [1,1,0,0,0,0|2,0,0]=4 2241 B10R1.61 C[C@H](c1ncccc1Br)O 1P01C38Q [1,1,0,0,0,0|2,0,0]=4 2242 B10R1.61 C[C@H](c1ncccc1C)N 1P01JV4F [1,1,0,0,0,0|1,0,0]=3 2243 B10R1.61 C[C@H](c1ncccc1C)N 1P01KL6O [1,1,0,0,0,0|1,0,0]=3 2244 B10R1.61 C[C@H](c1ncccc1F)N 1P01BH0Y [1,1,0,0,0,0|1,0,0]=3 2245 B10R1.61 C[C@H](c1ncccc1F)O 1P01BH00 [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.61 C[C@H](c1nccnc1C)N 1P01FJTH [1,1,0,0,0,0|2,0,0]=4 2247 B10R1.61 ClC(c1ccccc1Cl)Cl 1P0048YG [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.61 FC(c1ccccc1Br)F 1P004RGC [1,1,0,0,0,0|2,0,0]=4 2249 B10R1.61 FC(c1ccccc1F)F 1P003HM5 [1,1,0,0,0,0|2,0,0]=4 2250 B10R1.61 FC(c1ccccc1I)F 1P01DYZ2 [1,1,0,0,0,0|2,0,0]=4 2251 B10R1.61 FC(c1ccccc1N)F 1P001IHD [1,1,0,0,0,0|2,0,0]=4 2252 B10R1.61 FC(c1ccccc1N)F 1P005Q2L [1,1,0,0,0,0|2,0,0]=4 2253 B10R1.61 NC(=N)c1ccccc1Br 1P00EGII [1,1,0,0,0,0|1,0,1]=4 2254 B10R1.61 NC(=N)c1ccccc1C 1P003I59 [1,1,0,0,0,0|1,0,1]=4 2255 B10R1.61 NC(=N)c1ccccc1Cl 1P003HI9 [1,1,0,0,0,0|1,0,1]=4 2256 B10R1.61 NC(=N)c1ccccc1Cl 1P00D8UO [1,1,0,0,0,0|1,0,1]=4 2257 B10R1.61 NC(=N)c1ccccc1F 1P00E9F1 [1,1,0,0,0,0|1,0,1]=4 2258 B10R1.61 NC(=N)c1ccccc1F 1P00FGXY [1,1,0,0,0,0|1,0,1]=4 2259 B10R1.61 NC(=N)c1ccccc1F 1P01C65V [1,1,0,0,0,0|1,0,1]=4 2260 B10R1.61 NC(=N)c1ccccc1F 1P02841W [1,1,0,0,0,0|1,0,1]=4 2261 B10R1.61 NC(=N)c1ccccc1O 1P00DK4F [1,1,0,0,0,0|1,0,1]=4 2262 B10R1.61 NC(=O)c1ccccc1Br 1P00BXYL [1,1,0,0,0,0|1,0,1]=4 2263 B10R1.61 NC(=O)c1ccccc1C 1P003I57 [1,1,0,0,0,0|1,0,1]=4 2264 B10R1.61 NC(=O)c1ccccc1Cl 1P003HI8 [1,1,0,0,0,0|1,0,1]=4 2265 B10R1.61 NC(=O)c1ccccc1F 1P003HS3 [1,1,0,0,0,0|1,0,1]=4 2266 B10R1.61 NC(=O)c1ccccc1I 1P00C7AR [1,1,0,0,0,0|1,0,1]=4 2267 B10R1.61 NC(=O)c1ccccc1N 1P003GZT [1,1,0,0,0,0|1,0,1]=4 2268 B10R1.61 NC(=O)c1ccccc1O 1P003UNA [1,1,0,0,0,0|1,0,1]=4 2269 B10R1.61 NC(=O)c1ccccc1S 1P01AHBV [1,1,0,0,0,0|1,0,1]=4 2270 B10R1.61 NC(=S)c1ccccc1Br 1P003H9S [1,1,0,0,0,0|1,0,1]=4 2271 B10R1.61 NC(=S)c1ccccc1C 1P00D8TE [1,1,0,0,0,0|1,0,1]=4 2272 B10R1.61 NC(=S)c1ccccc1Cl 1P001PQE [1,1,0,0,0,0|1,0,1]=4 2273 B10R1.61 NC(=S)c1ccccc1F 1P005TSU [1,1,0,0,0,0|1,0,1]=4 2274 B10R1.61 NC(=S)c1ccccc1N 1P002OYJ [1,1,0,0,0,0|1,0,1]=4 2275 B10R1.61 NC(=S)c1ccccc1O 1P005VU3 [1,1,0,0,0,0|1,0,1]=4 2276 B10R1.61 NC(=S)c1ccccc1S 1P0286LO [1,1,0,0,0,0|1,0,1]=4 2277 B10R1.113 Brc1cccc(c1)C(=C)C 1P01DFHU [1,1,0,0,0,0|0,0,2]=4 2278 B10R1.113 Brc1cccc(c1)C(=N)N 1P002SCY [1,1,0,0,0,0|1,0,1]=4 2279 B10R1.113 Brc1cccc(c1)C(=N)N 1P00385V [1,1,0,0,0,0|1,0,1]=4 2280 B10R1.113 Brc1cccc(c1)C(=O)C 1P00343B [1,1,0,0,0,0|1,0,1]=4 2281 B10R1.113 Brc1cccc(c1)C(=O)N 1P003JKP [1,1,0,0,0,0|1,0,1]=4 2282 B10R1.113 Brc1cccc(c1)C(=S)N 1P003JM0 [1,1,0,0,0,0|1,0,1]=4 2283 B10R1.113 Brc1cccc(c1)C(Br)C 1P00ELOM [1,1,0,0,0,0|1,0,0]=3 2284 B10R1.113 Brc1cccc(c1)C(C)C 1P00343H [1,1,0,0,0,0|0,0,0]=2 2285 B10R1.113 Brc1cccc(c1)C(Cl)C 1P002CJP [1,1,0,0,0,0|1,0,0]=3 2286 B10R1.113 Brc1cccc(c1)C(F)C 1P01BWJ9 [1,1,0,0,0,0|1,0,0]=3 2287 B10R1.113 Brc1cccc(c1)C(F)F 1P0037VN [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.113 Brc1cccc(c1)C(N)C 1P003DD5 [1,1,0,0,0,0|0,0,0]=2 2289 B10R1.113 Brc1cccc(c1)C(N)C 1P00GUE1 [1,1,0,0,0,0|0,0,0]=2 2290 B10R1.113 Brc1cccc(c1)C(O)C 1P003DD6 [1,1,0,0,0,0|1,0,0]=3 2291 B10R1.113 Brc1cccc(c1)C(S)C 1P01ALX8 [1,1,0,0,0,0|1,0,0]=3 2292 B10R1.113 Brc1cccc(c1)N(C)C 1P001VRB [1,1,0,0,0,0|1,0,0]=3 2293 B10R1.113 Brc1cccc(c1)P(C)C 1P027Z7K [1,1,0,0,0,0|1,0,0]=3 2294 B10R1.113 Brc1cccc(c1)S(=O)C 1P00I61D [1,1,0,0,0,0|2,0,0]=4 2295 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P001B71 [1,1,0,0,0,0|0,0,0]=2 2296 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P01DUN8 [1,1,0,0,0,0|0,0,0]=2 2297 B10R1.113 Brc1cccc(c1)[C@@H](O)C 1P009B9B [1,1,0,0,0,0|1,0,0]=3 2298 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P0025AP [1,1,0,0,0,0|0,0,0]=2 2299 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P00HE7L [1,1,0,0,0,0|0,0,0]=2 2300 B10R1.113 Brc1cccc(c1)[C@H](O)C 1P00HTTB [1,1,0,0,0,0|1,0,0]=3 2301 B10R1.113 Brc1cccc(n1)C(C)C 1P003H7M [1,1,0,0,0,0|1,0,0]=3 2302 B10R1.113 Brc1cccc(n1)C(N)C 1P01JNW8 [1,1,0,0,0,0|1,0,0]=3 2303 B10R1.113 Brc1cccc(n1)C(N)C 1P024FZ4 [1,1,0,0,0,0|1,0,0]=3 2304 B10R1.113 Brc1cccc(n1)C(O)C 1P009E7E [1,1,0,0,0,0|2,0,0]=4 2305 B10R1.113 Brc1cccc(n1)N(C)C 1P0082NC [1,1,0,0,0,0|2,0,0]=4 2306 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P01DE5H [1,1,0,0,0,0|1,0,0]=3 2307 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P01DE9J [1,1,0,0,0,0|1,0,0]=3 2308 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P024G22 [1,1,0,0,0,0|1,0,0]=3 2309 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P01DE5Y [1,1,0,0,0,0|1,0,0]=3 2310 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P01DTX8 [1,1,0,0,0,0|1,0,0]=3 2311 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P024G24 [1,1,0,0,0,0|1,0,0]=3 2312 B10R1.113 Brc1cccc(n1)[C@H](O)C 1P009JQ2 [1,1,0,0,0,0|2,0,0]=4 2313 B10R1.113 Brc1cncc(c1)C(Br)C 1P01FIOB [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.113 Brc1nccc(c1)C(C)C 1P00JYII [1,1,0,0,0,0|1,0,0]=3 2315 B10R1.113 Brc1nccc(c1)C(N)C 1P01KMFA [1,1,0,0,0,0|1,0,0]=3 2316 B10R1.113 Brc1nccc(c1)N(C)C 1P00CJ7B [1,1,0,0,0,0|2,0,0]=4 2317 B10R1.113 Brc1nccc(c1)[C@@H](N)C 1P024FY4 [1,1,0,0,0,0|1,0,0]=3 2318 B10R1.113 Brc1nccc(c1)[C@H](N)C 1P00HVU8 [1,1,0,0,0,0|1,0,0]=3 2319 B10R1.113 Brc1nccc(n1)C(C)C 1P02902E [1,1,0,0,0,0|2,0,0]=4 2320 B10R1.113 CC(c1cc(Br)ccn1)O 1P001F34 [1,1,0,0,0,0|2,0,0]=4 2321 B10R1.113 CC(c1cc(Br)cnc1)O 1P00BHS0 [1,1,0,0,0,0|2,0,0]=4 2322 B10R1.113 CC(c1cc(Cl)ccn1)O 1P01FTR6 [1,1,0,0,0,0|2,0,0]=4 2323 B10R1.113 CC(c1cc(Cl)cnc1)Br 1P0249DK [1,1,0,0,0,0|2,0,0]=4 2324 B10R1.113 CC(c1cc(F)cnc1)N 1P01A6ET [1,1,0,0,0,0|1,0,0]=3 2325 B10R1.113 CC(c1cc(F)cnc1)O 1P009JKY [1,1,0,0,0,0|2,0,0]=4 2326 B10R1.113 CC(c1cncc(c1)Br)C 1P00951Z [1,1,0,0,0,0|1,0,0]=3 2327 B10R1.113 CC(c1cncc(c1)F)N 1P01A5GB [1,1,0,0,0,0|1,0,0]=3 2328 B10R1.113 CC(c1cncc(c1)N)C 1P000OWY [1,1,0,0,0,0|1,0,0]=3 2329 B10R1.113 CC(c1cncc(c1)O)C 1P01BWSZ [1,1,0,0,0,0|1,0,0]=3 2330 B10R1.113 CC(c1nccc(=O)[nH]1)N 1P0285N6 [1,1,0,0,0,0|2,0,0]=4 2331 B10R1.113 CC(c1nccc(c1)Br)C 1P01DMZ4 [1,1,0,0,0,0|1,0,0]=3 2332 B10R1.113 CC(c1nccc(c1)Br)N 1P02882Z [1,1,0,0,0,0|1,0,0]=3 2333 B10R1.113 CC(c1nccc(c1)Br)N 1P0293JV [1,1,0,0,0,0|1,0,0]=3 2334 B10R1.113 CC(c1nccc(c1)Cl)C 1P006T0C [1,1,0,0,0,0|1,0,0]=3 2335 B10R1.113 CC(c1nccc(c1)I)C 1P0283NU [1,1,0,0,0,0|1,0,0]=3 2336 B10R1.113 CC(c1nccc(c1)N)C 1P00D5AD [1,1,0,0,0,0|1,0,0]=3 2337 B10R1.113 CC(c1nccc(c1)N)C 1P028Z30 [1,1,0,0,0,0|1,0,0]=3 2338 B10R1.113 CC(c1nccc(c1)O)C 1P02919O [1,1,0,0,0,0|1,0,0]=3 2339 B10R1.113 CC(c1nccc(n1)Cl)C 1P005Z1U [1,1,0,0,0,0|2,0,0]=4 2340 B10R1.113 CC(c1nccc(n1)O)C 1P00FSOH [1,1,0,0,0,0|2,0,0]=4 2341 B10R1.113 CC(c1ncnc(c1)Br)C 1P018S8P [1,1,0,0,0,0|2,0,0]=4 2342 B10R1.113 CC(c1ncnc(c1)Cl)C 1P00IJIF [1,1,0,0,0,0|2,0,0]=4 2343 B10R1.113 CC(c1ncnc(c1)N)C 1P000HR4 [1,1,0,0,0,0|2,0,0]=4 2344 B10R1.113 CC(c1ncnc(c1)O)C 1P009E8F [1,1,0,0,0,0|2,0,0]=4 2345 B10R1.113 CC1=NC=CC(=C1)C(C)N 1P01FWUO [1,1,0,0,0,0|1,0,0]=3 2346 B10R1.113 CN(c1cncc(c1)Br)C 1P00CJFM [1,1,0,0,0,0|2,0,0]=4 2347 B10R1.113 CN(c1cncc(c1)I)C 1P02916L [1,1,0,0,0,0|2,0,0]=4 2348 B10R1.113 CN(c1cncc(c1)N)C 1P00A7SL [1,1,0,0,0,0|2,0,0]=4 2349 B10R1.113 CN(c1cncc(c1)S)C 1P0290O6 [1,1,0,0,0,0|2,0,0]=4 2350 B10R1.113 CN(c1nccc(c1)Br)C 1P00H68W [1,1,0,0,0,0|2,0,0]=4 2351 B10R1.113 CN(c1nccc(c1)Cl)C 1P00FH6E [1,1,0,0,0,0|2,0,0]=4 2352 B10R1.113 CN(c1nccc(c1)N)C 1P018SAU [1,1,0,0,0,0|2,0,0]=4 2353 B10R1.113 C[C@@H](c1cc(Br)cnc1)O 1P028FL5 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.113 C[C@@H](c1cc(F)ccn1)O 1P028NPD [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.113 C[C@@H](c1cc(F)cnc1)N 1P00I40E [1,1,0,0,0,0|1,0,0]=3 2356 B10R1.113 C[C@@H](c1cc(F)cnc1)N 1P01C30I [1,1,0,0,0,0|1,0,0]=3 2357 B10R1.113 C[C@@H](c1cncc(c1)Cl)N 1P024FYP [1,1,0,0,0,0|1,0,0]=3 2358 B10R1.113 C[C@H](c1cc(Br)cnc1)N 1P01JV49 [1,1,0,0,0,0|1,0,0]=3 2359 B10R1.113 C[C@H](c1cc(Br)cnc1)O 1P028H8P [1,1,0,0,0,0|2,0,0]=4 2360 B10R1.113 C[C@H](c1cc(Cl)cnc1)N 1P01OHTY [1,1,0,0,0,0|1,0,0]=3 2361 B10R1.113 C[C@H](c1cc(F)ccn1)O 1P0288JJ [1,1,0,0,0,0|2,0,0]=4 2362 B10R1.113 C[C@H](c1cncc(c1)Br)N 1P01KLBA [1,1,0,0,0,0|1,0,0]=3 2363 B10R1.113 C[C@H](c1cncc(c1)F)N 1P01C2VE [1,1,0,0,0,0|1,0,0]=3 2364 B10R1.113 Cc1cccc(c1)C(=C)C 1P003RUW [1,1,0,0,0,0|0,0,2]=4 2365 B10R1.113 Cc1cccc(c1)C(=N)N 1P002J5B [1,1,0,0,0,0|1,0,1]=4 2366 B10R1.113 Cc1cccc(c1)C(=N)N 1P0075JC [1,1,0,0,0,0|1,0,1]=4 2367 B10R1.113 Cc1cccc(c1)C(=O)C 1P00IAUW [1,1,0,0,0,0|1,0,1]=4 2368 B10R1.113 Cc1cccc(c1)C(=O)N 1P003K78 [1,1,0,0,0,0|1,0,1]=4 2369 B10R1.113 Cc1cccc(c1)C(=S)N 1P002OEP [1,1,0,0,0,0|1,0,1]=4 2370 B10R1.113 Cc1cccc(c1)C(Br)C 1P004E6B [1,1,0,0,0,0|1,0,0]=3 2371 B10R1.113 Cc1cccc(c1)C(C)C 1P003RXB [1,1,0,0,0,0|0,0,0]=2 2372 B10R1.113 Cc1cccc(c1)C(Cl)C 1P002CJO [1,1,0,0,0,0|1,0,0]=3 2373 B10R1.113 Cc1cccc(c1)C(N)C 1P00372B [1,1,0,0,0,0|0,0,0]=2 2374 B10R1.113 Cc1cccc(c1)C(N)C 1P00GATB [1,1,0,0,0,0|0,0,0]=2 2375 B10R1.113 Cc1cccc(c1)C(O)C 1P00FJ2F [1,1,0,0,0,0|1,0,0]=3 2376 B10R1.113 Cc1cccc(c1)N(C)C 1P003T22 [1,1,0,0,0,0|1,0,0]=3 2377 B10R1.113 Cc1cccc(c1)N(N)C 1P003EXI [1,1,0,0,0,0|1,0,0]=3 2378 B10R1.113 Cc1cccc(c1)S(=O)C 1P000ZR8 [1,1,0,0,0,0|2,0,0]=4 2379 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P0019NW [1,1,0,0,0,0|0,0,0]=2 2380 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P00J3RI [1,1,0,0,0,0|0,0,0]=2 2381 B10R1.113 Cc1cccc(c1)[C@@H](O)C 1P00DKFI [1,1,0,0,0,0|1,0,0]=3 2382 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P000DMK [1,1,0,0,0,0|0,0,0]=2 2383 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P0019NV [1,1,0,0,0,0|0,0,0]=2 2384 B10R1.113 Cc1cccc(c1)[C@H](O)C 1P00CLM5 [1,1,0,0,0,0|1,0,0]=3 2385 B10R1.113 Cc1cccc(n1)C(N)C 1P0092TC [1,1,0,0,0,0|1,0,0]=3 2386 B10R1.113 Cc1cccc(n1)C(N)C 1P00IASS [1,1,0,0,0,0|1,0,0]=3 2387 B10R1.113 Cc1cccc(n1)[C@@H](N)C 1P01A3P2 [1,1,0,0,0,0|1,0,0]=3 2388 B10R1.113 Cc1cccc(n1)[C@H](N)C 1P01A27S [1,1,0,0,0,0|1,0,0]=3 2389 B10R1.113 Cc1cccc(n1)[C@H](O)C 1P00FGLE [1,1,0,0,0,0|2,0,0]=4 2390 B10R1.113 Cc1ccnc(c1)C(C)C 1P0281YR [1,1,0,0,0,0|1,0,0]=3 2391 B10R1.113 Cc1ccnc(c1)C(N)C 1P0092TB [1,1,0,0,0,0|1,0,0]=3 2392 B10R1.113 Cc1ccnc(c1)C(N)C 1P00EA7G [1,1,0,0,0,0|1,0,0]=3 2393 B10R1.113 Cc1ccnc(n1)C(N)C 1P01C2Y9 [1,1,0,0,0,0|2,0,0]=4 2394 B10R1.113 Cc1cncc(c1)C(C)C 1P01XDSD [1,1,0,0,0,0|1,0,0]=3 2395 B10R1.113 Cc1cncc(c1)C(N)C 1P01ANWN [1,1,0,0,0,0|1,0,0]=3 2396 B10R1.113 Cc1nccc(c1)C(C)C 1P0281QQ [1,1,0,0,0,0|1,0,0]=3 2397 B10R1.113 Cc1nccc(c1)C(N)C 1P0096SP [1,1,0,0,0,0|1,0,0]=3 2398 B10R1.113 Cc1nccc(c1)[C@@H](O)C 1P0288JA [1,1,0,0,0,0|2,0,0]=4 2399 B10R1.113 Cc1nccc(c1)[C@H](O)C 1P028FDW [1,1,0,0,0,0|2,0,0]=4 2400 B10R1.113 Cc1nccc(n1)C(N)C 1P01BD20 [1,1,0,0,0,0|2,0,0]=4 2401 B10R1.113 Clc1cccc(c1)C(=C)C 1P00ATR4 [1,1,0,0,0,0|0,0,2]=4 2402 B10R1.113 Clc1cccc(c1)C(=N)N 1P003A6F [1,1,0,0,0,0|1,0,1]=4 2403 B10R1.113 Clc1cccc(c1)C(=O)N 1P00E9KT [1,1,0,0,0,0|1,0,1]=4 2404 B10R1.113 Clc1cccc(c1)C(=S)N 1P003JSG [1,1,0,0,0,0|1,0,1]=4 2405 B10R1.113 Clc1cccc(c1)C(Br)C 1P019X11 [1,1,0,0,0,0|1,0,0]=3 2406 B10R1.113 Clc1cccc(c1)C(Cl)C 1P01A1E4 [1,1,0,0,0,0|1,0,0]=3 2407 B10R1.113 Clc1cccc(c1)C(N)C 1P00C2DU [1,1,0,0,0,0|0,0,0]=2 2408 B10R1.113 Clc1cccc(c1)C(N)C 1P00CMAZ [1,1,0,0,0,0|0,0,0]=2 2409 B10R1.113 Clc1cccc(c1)C(O)C 1P003DDG [1,1,0,0,0,0|1,0,0]=3 2410 B10R1.113 Clc1cccc(c1)N(C)C 1P003JRK [1,1,0,0,0,0|1,0,0]=3 2411 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P003CZE [1,1,0,0,0,0|0,0,0]=2 2412 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P009ZW7 [1,1,0,0,0,0|0,0,0]=2 2413 B10R1.113 Clc1cccc(c1)[C@@H](O)C 1P009BSV [1,1,0,0,0,0|1,0,0]=3 2414 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P003CNL [1,1,0,0,0,0|0,0,0]=2 2415 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P00955Y [1,1,0,0,0,0|0,0,0]=2 2416 B10R1.113 Clc1cccc(c1)[C@H](O)C 1P000QTO [1,1,0,0,0,0|1,0,0]=3 2417 B10R1.113 Clc1cccc(n1)C(C)C 1P000QUY [1,1,0,0,0,0|1,0,0]=3 2418 B10R1.113 Clc1cccc(n1)C(N)C 1P0096NX [1,1,0,0,0,0|1,0,0]=3 2419 B10R1.113 Clc1cccc(n1)C(N)C 1P024HPM [1,1,0,0,0,0|1,0,0]=3 2420 B10R1.113 Clc1cccc(n1)N(C)C 1P00942B [1,1,0,0,0,0|2,0,0]=4 2421 B10R1.113 Clc1cccc(n1)[C@H](N)C 1P024HI0 [1,1,0,0,0,0|1,0,0]=3 2422 B10R1.113 Clc1nccc(c1)C(N)C 1P0096N4 [1,1,0,0,0,0|1,0,0]=3 2423 B10R1.113 Clc1nccc(c1)C(N)C 1P01KKJH [1,1,0,0,0,0|1,0,0]=3 2424 B10R1.113 Clc1nccc(c1)C(O)C 1P01BGTO [1,1,0,0,0,0|2,0,0]=4 2425 B10R1.113 Clc1nccc(c1)N(C)C 1P00EGMF [1,1,0,0,0,0|2,0,0]=4 2426 B10R1.113 Clc1nccc(c1)[C@@H](N)C 1P00II8U [1,1,0,0,0,0|1,0,0]=3 2427 B10R1.113 Clc1nccc(c1)[C@@H](N)C 1P01KL95 [1,1,0,0,0,0|1,0,0]=3 2428 B10R1.113 Clc1nccc(c1)[C@H](N)C 1P023I0F [1,1,0,0,0,0|1,0,0]=3 2429 B10R1.113 Clc1nccc(c1)[C@H](N)C 1P024FW3 [1,1,0,0,0,0|1,0,0]=3 2430 B10R1.113 Clc1nccc(n1)C(C)C 1P005UOT [1,1,0,0,0,0|2,0,0]=4 2431 B10R1.113 Fc1cccc(c1)C(=C)C 1P01AC8N [1,1,0,0,0,0|0,0,2]=4 2432 B10R1.113 Fc1cccc(c1)C(=N)N 1P00FB1F [1,1,0,0,0,0|1,0,1]=4 2433 B10R1.113 Fc1cccc(c1)C(=N)N 1P00ID2X [1,1,0,0,0,0|1,0,1]=4 2434 B10R1.113 Fc1cccc(c1)C(=O)C 1P003JXP [1,1,0,0,0,0|1,0,1]=4 2435 B10R1.113 Fc1cccc(c1)C(=O)N 1P00DES0 [1,1,0,0,0,0|1,0,1]=4 2436 B10R1.113 Fc1cccc(c1)C(=S)N 1P00FB1I [1,1,0,0,0,0|1,0,1]=4 2437 B10R1.113 Fc1cccc(c1)C(Br)C 1P018SP2 [1,1,0,0,0,0|1,0,0]=3 2438 B10R1.113 Fc1cccc(c1)C(Cl)C 1P01AAJR [1,1,0,0,0,0|1,0,0]=3 2439 B10R1.113 Fc1cccc(c1)C(F)F 1P002RVM [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.113 Fc1cccc(c1)C(N)C 1P005HQ7 [1,1,0,0,0,0|0,0,0]=2 2441 B10R1.113 Fc1cccc(c1)C(N)C 1P01EII3 [1,1,0,0,0,0|0,0,0]=2 2442 B10R1.113 Fc1cccc(c1)C(O)C 1P003DDQ [1,1,0,0,0,0|1,0,0]=3 2443 B10R1.113 Fc1cccc(c1)N(C)C 1P002LEE [1,1,0,0,0,0|1,0,0]=3 2444 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P007HTX [1,1,0,0,0,0|0,0,0]=2 2445 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P00DA1C [1,1,0,0,0,0|0,0,0]=2 2446 B10R1.113 Fc1cccc(c1)[C@@H](O)C 1P000TCI [1,1,0,0,0,0|1,0,0]=3 2447 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P007HTW [1,1,0,0,0,0|0,0,0]=2 2448 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P008OXD [1,1,0,0,0,0|0,0,0]=2 2449 B10R1.113 Fc1cccc(c1)[C@H](O)C 1P000TDQ [1,1,0,0,0,0|1,0,0]=3 2450 B10R1.113 Fc1cccc(n1)C(N)C 1P01JX3O [1,1,0,0,0,0|1,0,0]=3 2451 B10R1.113 Fc1cccc(n1)C(O)C 1P01BYDW [1,1,0,0,0,0|2,0,0]=4 2452 B10R1.113 Fc1cccc(n1)N(C)C 1P00IGT9 [1,1,0,0,0,0|2,0,0]=4 2453 B10R1.113 Fc1cccc(n1)[C@@H](N)C 1P01FPD5 [1,1,0,0,0,0|1,0,0]=3 2454 B10R1.113 Fc1cccc(n1)[C@H](N)C 1P01DDCR [1,1,0,0,0,0|1,0,0]=3 2455 B10R1.113 Fc1nccc(c1)N(C)C 1P00G2WW [1,1,0,0,0,0|2,0,0]=4 2456 B10R1.113 Fc1nccc(c1)[C@H](N)C 1P0201B8 [1,1,0,0,0,0|1,0,0]=3 2457 B10R1.113 Ic1cccc(c1)C(=O)C 1P001K5K [1,1,0,0,0,0|1,0,1]=4 2458 B10R1.113 Ic1cccc(c1)C(=O)N 1P0085PW [1,1,0,0,0,0|1,0,1]=4 2459 B10R1.113 Ic1cccc(c1)C(=S)N 1P007C9W [1,1,0,0,0,0|1,0,1]=4 2460 B10R1.113 Ic1cccc(c1)C(Br)C 1P028E3J [1,1,0,0,0,0|1,0,0]=3 2461 B10R1.113 Ic1cccc(c1)C(C)C 1P002FFB [1,1,0,0,0,0|0,0,0]=2 2462 B10R1.113 Ic1cccc(c1)C(F)F 1P00HGO3 [1,1,0,0,0,0|2,0,0]=4 2463 B10R1.113 Ic1cccc(c1)C(O)C 1P024HK1 [1,1,0,0,0,0|1,0,0]=3 2464 B10R1.113 Ic1cccc(c1)N(C)C 1P01HH2U [1,1,0,0,0,0|1,0,0]=3 2465 B10R1.113 Nc1cccc(c1)C(=C)C 1P01CAQU [1,1,0,0,0,0|0,0,2]=4 2466 B10R1.113 Nc1cccc(c1)C(=N)N 1P003JDV [1,1,0,0,0,0|1,0,1]=4 2467 B10R1.113 Nc1cccc(c1)C(=O)C 1P003JDU [1,1,0,0,0,0|1,0,1]=4 2468 B10R1.113 Nc1cccc(c1)C(=O)N 1P0037SS [1,1,0,0,0,0|1,0,1]=4 2469 B10R1.113 Nc1cccc(c1)C(=S)N 1P005DAW [1,1,0,0,0,0|1,0,1]=4 2470 B10R1.113 Nc1cccc(c1)C(C)C 1P003JE5 [1,1,0,0,0,0|0,0,0]=2 2471 B10R1.113 Nc1cccc(c1)C(F)C 1P028JPG [1,1,0,0,0,0|1,0,0]=3 2472 B10R1.113 Nc1cccc(c1)C(F)F 1P001SVF [1,1,0,0,0,0|2,0,0]=4 2473 B10R1.113 Nc1cccc(c1)C(F)F 1P00CA9I [1,1,0,0,0,0|2,0,0]=4 2474 B10R1.113 Nc1cccc(c1)C(N)C 1P000U2U [1,1,0,0,0,0|0,0,0]=2 2475 B10R1.113 Nc1cccc(c1)C(O)C 1P002OXT [1,1,0,0,0,0|1,0,0]=3 2476 B10R1.113 Nc1cccc(c1)N(C)C 1P003T21 [1,1,0,0,0,0|1,0,0]=3 2477 B10R1.113 Nc1cccc(c1)N(C)C 1P00BFYZ [1,1,0,0,0,0|1,0,0]=3 2478 B10R1.113 Nc1cccc(c1)S(=O)C 1P019WQF [1,1,0,0,0,0|2,0,0]=4 2479 B10R1.113 Nc1cccc(c1)S(=O)C 1P01APKC [1,1,0,0,0,0|2,0,0]=4 2480 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P003CZD [1,1,0,0,0,0|0,0,0]=2 2481 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P01DE99 [1,1,0,0,0,0|0,0,0]=2 2482 B10R1.113 Nc1cccc(c1)[C@@H](O)C 1P01DZPI [1,1,0,0,0,0|1,0,0]=3 2483 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P0090GW [1,1,0,0,0,0|0,0,0]=2 2484 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P01TBU1 [1,1,0,0,0,0|0,0,0]=2 2485 B10R1.113 Nc1cccc(c1)[C@H](O)C 1P01EMV6 [1,1,0,0,0,0|1,0,0]=3 2486 B10R1.113 Nc1cccc(n1)C(C)C 1P003GZ8 [1,1,0,0,0,0|1,0,0]=3 2487 B10R1.113 Nc1cccc(n1)C(O)C 1P027VPM [1,1,0,0,0,0|2,0,0]=4 2488 B10R1.113 Nc1cccc(n1)N(C)C 1P00EKPO [1,1,0,0,0,0|2,0,0]=4 2489 B10R1.113 Nc1cccc(n1)[C@H](N)C 1P01XDCG [1,1,0,0,0,0|1,0,0]=3 2490 B10R1.113 Nc1ccnc(n1)C(N)C 1P01AUYO [1,1,0,0,0,0|2,0,0]=4 2491 B10R1.113 Nc1nccc(c1)C(C)C 1P00B8Q5 [1,1,0,0,0,0|1,0,0]=3 2492 B10R1.113 Nc1nccc(c1)N(C)C 1P01A6RP [1,1,0,0,0,0|2,0,0]=4 2493 B10R1.113 Nc1nccc(n1)C(C)C 1P00EEG0 [1,1,0,0,0,0|2,0,0]=4 2494 B10R1.113 Oc1cccc(c1)C(=N)N 1P00EEVR [1,1,0,0,0,0|1,0,1]=4 2495 B10R1.113 Oc1cccc(c1)C(=O)C 1P003K0U [1,1,0,0,0,0|1,0,1]=4 2496 B10R1.113 Oc1cccc(c1)C(=O)N 1P0037IV [1,1,0,0,0,0|1,0,1]=4 2497 B10R1.113 Oc1cccc(c1)C(=S)N 1P007YNT [1,1,0,0,0,0|1,0,1]=4 2498 B10R1.113 Oc1cccc(c1)C(C)C 1P003478 [1,1,0,0,0,0|0,0,0]=2 2499 B10R1.113 Oc1cccc(c1)C(F)F 1P00CURJ [1,1,0,0,0,0|2,0,0]=4 2500 B10R1.113 Oc1cccc(c1)C(N)C 1P00ECSX [1,1,0,0,0,0|0,0,0]=2 2501 B10R1.113 Oc1cccc(c1)C(N)C 1P019V4B [1,1,0,0,0,0|0,0,0]=2 2502 B10R1.113 Oc1cccc(c1)C(O)C 1P003DDU [1,1,0,0,0,0|1,0,0]=3 2503 B10R1.113 Oc1cccc(c1)N(C)C 1P0037BJ [1,1,0,0,0,0|1,0,0]=3 2504 B10R1.113 Oc1cccc(c1)S(=O)C 1P001NIU [1,1,0,0,0,0|2,0,0]=4 2505 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P000LS2 [1,1,0,0,0,0|0,0,0]=2 2506 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P024G1P [1,1,0,0,0,0|0,0,0]=2 2507 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00DG5L [1,1,0,0,0,0|0,0,0]=2 2508 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00G7LK [1,1,0,0,0,0|0,0,0]=2 2509 B10R1.113 Oc1cccc(c1)[C@H](O)C 1P00EL2Y [1,1,0,0,0,0|1,0,0]=3 2510 B10R1.113 Oc1nccc(c1)C(N)C 1P01BBD5 [1,1,0,0,0,0|1,0,0]=3 2511 B10R1.113 Oc1nccc(n1)C(C)C 1P00J2RM [1,1,0,0,0,0|2,0,0]=4 2512 B10R1.113 Sc1cccc(c1)C(=O)C 1P01AK0X [1,1,0,0,0,0|1,0,1]=4 2513 B10R1.113 Sc1cccc(c1)C(=O)N 1P00EIKO [1,1,0,0,0,0|1,0,1]=4 2514 B10R1.113 Sc1cccc(c1)N(C)C 1P00C8NI [1,1,0,0,0,0|1,0,0]=3 2515 B10R1.1 BrCCc1ccc(cc1)Br 1P00209O [1,1,0,0,0,0|1,0,0]=3 2516 B10R1.1 BrCCc1ccc(cc1)C 1P003M90 [1,1,0,0,0,0|1,0,0]=3 2517 B10R1.1 BrCCc1ccc(cc1)Cl 1P003LOC [1,1,0,0,0,0|1,0,0]=3 2518 B10R1.1 BrCCc1ccc(cc1)F 1P003LWF [1,1,0,0,0,0|1,0,0]=3 2519 B10R1.1 BrCCc1ccc(cc1)N 1P002TK5 [1,1,0,0,0,0|1,0,0]=3 2520 B10R1.1 BrCCc1ccc(cc1)O 1P003M0B [1,1,0,0,0,0|1,0,0]=3 2521 B10R1.1 BrCCc1ccc(cn1)F 1P028898 [1,1,0,0,0,0|2,0,0]=4 2522 B10R1.1 BrCCc1ccc(nc1)C 1P028KLW [1,1,0,0,0,0|2,0,0]=4 2523 B10R1.1 BrCCc1ccc(nc1)Cl 1P01B9L7 [1,1,0,0,0,0|2,0,0]=4 2524 B10R1.1 Brc1ccc(cc1)C[N+]#[C-] 1P00EDQC [1,1,0,0,0,0|2,0,0]=4 2525 B10R1.1 C#CCc1ccc(cc1)Cl 1P00FHLJ [1,1,0,0,0,0|1,0,1]=4 2526 B10R1.1 C#CCc1ccc(cc1)O 1P01XIKJ [1,1,0,0,0,0|1,0,1]=4 2527 B10R1.1 C=CCc1ccc(cc1)C 1P003L3X [1,1,0,0,0,0|1,0,1]=4 2528 B10R1.1 C=CCc1ccc(cc1)Cl 1P00206A [1,1,0,0,0,0|1,0,1]=4 2529 B10R1.1 C=CCc1ccc(cc1)F 1P001ZL7 [1,1,0,0,0,0|1,0,1]=4 2530 B10R1.1 C=CCc1ccc(cc1)O 1P00395J [1,1,0,0,0,0|1,0,1]=4 2531 B10R1.1 CCCc1ccc(cc1)Br 1P00336M [1,1,0,0,0,0|1,0,0]=3 2532 B10R1.1 CCCc1ccc(cc1)Cl 1P003U0V [1,1,0,0,0,0|1,0,0]=3 2533 B10R1.1 CCCc1ccc(cc1)N 1P003MGR [1,1,0,0,0,0|1,0,0]=3 2534 B10R1.1 CCCc1ccc(cc1)O 1P003MGY [1,1,0,0,0,0|1,0,0]=3 2535 B10R1.1 CCCc1ccc(cc1)S 1P01BL0R [1,1,0,0,0,0|1,0,0]=3 2536 B10R1.1 CCCc1ccc(nc1)Br 1P021X59 [1,1,0,0,0,0|2,0,0]=4 2537 B10R1.1 CCNc1ccc(cc1)Br 1P006DFE [1,1,0,0,0,0|2,0,0]=4 2538 B10R1.1 CCNc1ccc(cc1)C 1P003THH [1,1,0,0,0,0|2,0,0]=4 2539 B10R1.1 CCNc1ccc(cc1)C 1P028OAS [1,1,0,0,0,0|2,0,0]=4 2540 B10R1.1 CCNc1ccc(cc1)Cl 1P003TGK [1,1,0,0,0,0|2,0,0]=4 2541 B10R1.1 CCNc1ccc(cc1)Cl 1P01C86E [1,1,0,0,0,0|2,0,0]=4 2542 B10R1.1 CCNc1ccc(cc1)F 1P00C75E [1,1,0,0,0,0|2,0,0]=4 2543 B10R1.1 CCNc1ccc(cc1)F 1P00DZVM [1,1,0,0,0,0|2,0,0]=4 2544 B10R1.1 CCNc1ccc(cc1)N 1P00F0BQ [1,1,0,0,0,0|2,0,0]=4 2545 B10R1.1 CCNc1ccc(cc1)O 1P00FTY5 [1,1,0,0,0,0|2,0,0]=4 2546 B10R1.1 CCNc1ccc(cc1)O 1P01BD6C [1,1,0,0,0,0|2,0,0]=4 2547 B10R1.1 CCOc1ccc(cc1)Br 1P003LHI [1,1,0,0,0,0|2,0,0]=4 2548 B10R1.1 CCOc1ccc(cc1)C 1P00EAI5 [1,1,0,0,0,0|2,0,0]=4 2549 B10R1.1 CCOc1ccc(cc1)Cl 1P003LOF [1,1,0,0,0,0|2,0,0]=4 2550 B10R1.1 CCOc1ccc(cc1)F 1P003EQY [1,1,0,0,0,0|2,0,0]=4 2551 B10R1.1 CCOc1ccc(cc1)I 1P003LS2 [1,1,0,0,0,0|2,0,0]=4 2552 B10R1.1 CCOc1ccc(cc1)N 1P001OVT [1,1,0,0,0,0|2,0,0]=4 2553 B10R1.1 CCOc1ccc(cc1)N 1P003UEJ [1,1,0,0,0,0|2,0,0]=4 2554 B10R1.1 CCOc1ccc(cc1)N 1P01EKJG [1,1,0,0,0,0|2,0,0]=4 2555 B10R1.1 CCOc1ccc(cc1)O 1P003LS3 [1,1,0,0,0,0|2,0,0]=4 2556 B10R1.1 CCOc1ccc(cc1)S 1P005TIM [1,1,0,0,0,0|2,0,0]=4 2557 B10R1.1 CCSc1ccc(cc1)Br 1P0030UV [1,1,0,0,0,0|2,0,0]=4 2558 B10R1.1 CCSc1ccc(cc1)C 1P00ELQS [1,1,0,0,0,0|2,0,0]=4 2559 B10R1.1 CCSc1ccc(cc1)F 1P002YAA [1,1,0,0,0,0|2,0,0]=4 2560 B10R1.1 CCSc1ccc(cc1)N 1P00J28R [1,1,0,0,0,0|2,0,0]=4 2561 B10R1.1 CNCc1ccc(cc1)Br 1P003LHF [1,1,0,0,0,0|2,0,0]=4 2562 B10R1.1 CNCc1ccc(cc1)Br 1P003TNF [1,1,0,0,0,0|2,0,0]=4 2563 B10R1.1 CNCc1ccc(cc1)C 1P003TNJ [1,1,0,0,0,0|2,0,0]=4 2564 B10R1.1 CNCc1ccc(cc1)C 1P003TON [1,1,0,0,0,0|2,0,0]=4 2565 B10R1.1 CNCc1ccc(cc1)Cl 1P003DFR [1,1,0,0,0,0|2,0,0]=4 2566 B10R1.1 CNCc1ccc(cc1)Cl 1P003TNG [1,1,0,0,0,0|2,0,0]=4 2567 B10R1.1 CNCc1ccc(cc1)F 1P003LWB [1,1,0,0,0,0|2,0,0]=4 2568 B10R1.1 CNCc1ccc(cc1)F 1P00D9LV [1,1,0,0,0,0|2,0,0]=4 2569 B10R1.1 CNCc1ccc(cc1)I 1P028EDZ [1,1,0,0,0,0|2,0,0]=4 2570 B10R1.1 CNCc1ccc(cc1)N 1P003TNE [1,1,0,0,0,0|2,0,0]=4 2571 B10R1.1 CNCc1ccc(cc1)O 1P003L1D [1,1,0,0,0,0|2,0,0]=4 2572 B10R1.1 CNCc1ccc(cc1)O 1P0092KQ [1,1,0,0,0,0|2,0,0]=4 2573 B10R1.1 CNCc1ccc(cc1)O 1P01EAKR [1,1,0,0,0,0|2,0,0]=4 2574 B10R1.1 COCc1ccc(cc1)Br 1P001NU5 [1,1,0,0,0,0|2,0,0]=4 2575 B10R1.1 COCc1ccc(cc1)Cl 1P000POK [1,1,0,0,0,0|2,0,0]=4 2576 B10R1.1 COCc1ccc(cc1)I 1P00H370 [1,1,0,0,0,0|2,0,0]=4 2577 B10R1.1 COCc1ccc(cc1)N 1P003KPL [1,1,0,0,0,0|2,0,0]=4 2578 B10R1.1 COCc1ccc(cc1)O 1P00DG3W [1,1,0,0,0,0|2,0,0]=4 2579 B10R1.1 COCc1ccc(cc1)S 1P019TSN [1,1,0,0,0,0|2,0,0]=4 2580 B10R1.1 CSCc1ccc(cc1)Br 1P00AS51 [1,1,0,0,0,0|2,0,0]=4 2581 B10R1.1 CSCc1ccc(cc1)Cl 1P00EA6D [1,1,0,0,0,0|2,0,0]=4 2582 B10R1.1 CSCc1ccc(cc1)F 1P00EG4L [1,1,0,0,0,0|2,0,0]=4 2583 B10R1.1 CSCc1ccc(cc1)N 1P01AAGG [1,1,0,0,0,0|2,0,0]=4 2584 B10R1.1 CSCc1ccc(cc1)N 1P028CQ4 [1,1,0,0,0,0|2,0,0]=4 2585 B10R1.1 Cc1ccc(cc1)C[N+]#[C-] 1P00BZ37 [1,1,0,0,0,0|2,0,0]=4 2586 B10R1.1 Cc1cnc(cn1)CCN 1P01C2R8 [1,1,0,0,0,0|2,0,0]=4 2587 B10R1.1 ClCCc1ccc(cc1)C 1P01AJRP [1,1,0,0,0,0|1,0,0]=3 2588 B10R1.1 ClCCc1ccc(cc1)Cl 1P00BZZW [1,1,0,0,0,0|1,0,0]=3 2589 B10R1.1 ClCCc1ccc(cc1)F 1P003BFT [1,1,0,0,0,0|1,0,0]=3 2590 B10R1.1 ClCCc1ccc(nc1)Cl 1P01DVHP [1,1,0,0,0,0|2,0,0]=4 2591 B10R1.1 ClCOc1ccc(cc1)F 1P01BK8P [1,1,0,0,0,0|2,0,0]=4 2592 B10R1.1 ClCSc1ccc(cc1)C 1P003PAW [1,1,0,0,0,0|2,0,0]=4 2593 B10R1.1 Clc1ccc(cc1)C[N+]#[C-] 1P00BZ4O [1,1,0,0,0,0|2,0,0]=4 2594 B10R1.1 FCCc1ccc(cc1)Br 1P028SCH [1,1,0,0,0,0|1,0,0]=3 2595 B10R1.1 FCCc1ccc(cc1)N 1P021OGU [1,1,0,0,0,0|1,0,0]=3 2596 B10R1.1 FCCc1ccc(cc1)O 1P01DHVV [1,1,0,0,0,0|1,0,0]=3 2597 B10R1.1 FCOc1ccc(cc1)Br 1P02843R [1,1,0,0,0,0|2,0,0]=4 2598 B10R1.1 FCOc1ccc(cc1)I 1P0287U6 [1,1,0,0,0,0|2,0,0]=4 2599 B10R1.1 FCOc1ccc(cc1)N 1P0288ZL [1,1,0,0,0,0|2,0,0]=4 2600 B10R1.1 Fc1ccc(cc1)C[N+]#[C-] 1P001LQ3 [1,1,0,0,0,0|2,0,0]=4 2601 B10R1.1 ICCc1ccc(cc1)Br 1P008FXF [1,1,0,0,0,0|1,0,0]=3 2602 B10R1.1 ICCc1ccc(cc1)Cl 1P01JMRL [1,1,0,0,0,0|1,0,0]=3 2603 B10R1.1 N#CCc1ccc(cc1)Br 1P001WJT [1,1,0,0,0,0|0,0,2]=4 2604 B10R1.1 N#CCc1ccc(cc1)C 1P002YYR [1,1,0,0,0,0|0,0,2]=4 2605 B10R1.1 N#CCc1ccc(cc1)Cl 1P001CE6 [1,1,0,0,0,0|0,0,2]=4 2606 B10R1.1 N#CCc1ccc(cc1)F 1P003LWQ [1,1,0,0,0,0|0,0,2]=4 2607 B10R1.1 N#CCc1ccc(cc1)I 1P003M1K [1,1,0,0,0,0|0,0,2]=4 2608 B10R1.1 N#CCc1ccc(cc1)N 1P003L7Q [1,1,0,0,0,0|0,0,2]=4 2609 B10R1.1 N#CCc1ccc(cc1)O 1P001HTW [1,1,0,0,0,0|0,0,2]=4 2610 B10R1.1 N#CCc1ccc(cc1)S 1P027XUJ [1,1,0,0,0,0|0,0,2]=4 2611 B10R1.1 NCCc1ccc(=O)[nH]c1 1P01C526 [1,1,0,0,0,0|1,0,0]=3 2612 B10R1.1 NCCc1ccc(cc1)Br 1P0033BE [1,1,0,0,0,0|0,0,0]=2 2613 B10R1.1 NCCc1ccc(cc1)Br 1P00C08F [1,1,0,0,0,0|0,0,0]=2 2614 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [1,1,0,0,0,0|0,0,0]=2 2615 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [1,1,0,0,0,0|0,0,0]=2 2616 B10R1.1 NCCc1ccc(cc1)Cl 1P001OVU [1,1,0,0,0,0|0,0,0]=2 2617 B10R1.1 NCCc1ccc(cc1)Cl 1P002QCJ [1,1,0,0,0,0|0,0,0]=2 2618 B10R1.1 NCCc1ccc(cc1)F 1P001QL6 [1,1,0,0,0,0|0,0,0]=2 2619 B10R1.1 NCCc1ccc(cc1)F 1P003LWH [1,1,0,0,0,0|0,0,0]=2 2620 B10R1.1 NCCc1ccc(cc1)F 1P01DFUD [1,1,0,0,0,0|0,0,0]=2 2621 B10R1.1 NCCc1ccc(cc1)I 1P005JNU [1,1,0,0,0,0|0,0,0]=2 2622 B10R1.1 NCCc1ccc(cc1)I 1P01B5P8 [1,1,0,0,0,0|0,0,0]=2 2623 B10R1.1 NCCc1ccc(cc1)N 1P003FBD [1,1,0,0,0,0|0,0,0]=2 2624 B10R1.1 NCCc1ccc(cc1)N 1P0070N1 [1,1,0,0,0,0|0,0,0]=2 2625 B10R1.1 NCCc1ccc(cc1)O 1P003FD7 [1,1,0,0,0,0|0,0,0]=2 2626 B10R1.1 NCCc1ccc(cc1)O 1P00IB3O [1,1,0,0,0,0|0,0,0]=2 2627 B10R1.1 NCCc1ccc(cn1)Br 1P01XCAI [1,1,0,0,0,0|1,0,0]=3 2628 B10R1.1 NCCc1ccc(cn1)C 1P00G5VS [1,1,0,0,0,0|1,0,0]=3 2629 B10R1.1 NCCc1ccc(cn1)F 1P01B8QR [1,1,0,0,0,0|1,0,0]=3 2630 B10R1.1 NCCc1ccc(cn1)O 1P01C4CQ [1,1,0,0,0,0|1,0,0]=3 2631 B10R1.1 NCCc1ccc(nc1)C 1P006JIH [1,1,0,0,0,0|1,0,0]=3 2632 B10R1.1 NCCc1ccc(nc1)Cl 1P00DL91 [1,1,0,0,0,0|1,0,0]=3 2633 B10R1.1 NCCc1ccc(nc1)Cl 1P01P153 [1,1,0,0,0,0|1,0,0]=3 2634 B10R1.1 NCCc1ccc(nc1)F 1P027VHR [1,1,0,0,0,0|1,0,0]=3 2635 B10R1.1 NCCc1cnc(nc1)O 1P01BRYZ [1,1,0,0,0,0|2,0,0]=4 2636 B10R1.1 NCCc1ncc(cn1)Br 1P028FZK [1,1,0,0,0,0|2,0,0]=4 2637 B10R1.1 NCCc1ncc(cn1)C 1P00I08Q [1,1,0,0,0,0|2,0,0]=4 2638 B10R1.1 NCCc1ncc(cn1)C 1P01A3HN [1,1,0,0,0,0|2,0,0]=4 2639 B10R1.1 NCCc1ncc(cn1)C 1P027YWY [1,1,0,0,0,0|2,0,0]=4 2640 B10R1.1 NCCc1ncc(cn1)F 1P01FJVA [1,1,0,0,0,0|2,0,0]=4 2641 B10R1.1 NCCn1ccc(=O)cc1 1P028S6B [1,1,0,0,0,0|1,0,0]=3 2642 B10R1.1 NNCc1ccc(cc1)Br 1P00I01Q [1,1,0,0,0,0|1,0,0]=3 2643 B10R1.1 NNCc1ccc(cc1)Br 1P01KLR6 [1,1,0,0,0,0|1,0,0]=3 2644 B10R1.1 NNCc1ccc(cc1)C 1P002SK3 [1,1,0,0,0,0|1,0,0]=3 2645 B10R1.1 NNCc1ccc(cc1)C 1P00912Z [1,1,0,0,0,0|1,0,0]=3 2646 B10R1.1 NNCc1ccc(cc1)C 1P00DAGU [1,1,0,0,0,0|1,0,0]=3 2647 B10R1.1 NNCc1ccc(cc1)Cl 1P00914B [1,1,0,0,0,0|1,0,0]=3 2648 B10R1.1 NNCc1ccc(cc1)Cl 1P00G558 [1,1,0,0,0,0|1,0,0]=3 2649 B10R1.1 NNCc1ccc(cc1)Cl 1P00J1XO [1,1,0,0,0,0|1,0,0]=3 2650 B10R1.1 NNCc1ccc(cc1)F 1P0001BU [1,1,0,0,0,0|1,0,0]=3 2651 B10R1.1 NNCc1ccc(cc1)F 1P008ZIB [1,1,0,0,0,0|1,0,0]=3 2652 B10R1.1 NNCc1ccc(cc1)I 1P01XD1O [1,1,0,0,0,0|1,0,0]=3 2653 B10R1.1 NNCc1ccc(cc1)O 1P028XZA [1,1,0,0,0,0|1,0,0]=3 2654 B10R1.1 NNCc1ccc(nc1)Cl 1P000KW7 [1,1,0,0,0,0|2,0,0]=4 2655 B10R1.1 NNCc1ccc(nc1)Cl 1P008UTN [1,1,0,0,0,0|2,0,0]=4 2656 B10R1.1 NOCc1ccc(cc1)Br 1P00CM64 [1,1,0,0,0,0|1,0,0]=3 2657 B10R1.1 NOCc1ccc(cc1)C 1P00C8PR [1,1,0,0,0,0|1,0,0]=3 2658 B10R1.1 NOCc1ccc(cc1)C 1P00G4ZH [1,1,0,0,0,0|1,0,0]=3 2659 B10R1.1 NOCc1ccc(cc1)Cl 1P00C71C [1,1,0,0,0,0|1,0,0]=3 2660 B10R1.1 NOCc1ccc(cc1)Cl 1P00DDLL [1,1,0,0,0,0|1,0,0]=3 2661 B10R1.1 NOCc1ccc(cc1)F 1P0026AQ [1,1,0,0,0,0|1,0,0]=3 2662 B10R1.1 NOCc1ccc(cc1)F 1P00DEWL [1,1,0,0,0,0|1,0,0]=3 2663 B10R1.1 O=CCc1ccc(cc1)Br 1P00BCHQ [1,1,0,0,0,0|1,0,1]=4 2664 B10R1.1 O=CCc1ccc(cc1)C 1P0085DU [1,1,0,0,0,0|1,0,1]=4 2665 B10R1.1 O=CCc1ccc(cc1)Cl 1P00BXZ5 [1,1,0,0,0,0|1,0,1]=4 2666 B10R1.1 O=CCc1ccc(cc1)F 1P001ZIV [1,1,0,0,0,0|1,0,1]=4 2667 B10R1.1 OCCc1ccc(cc1)Br 1P003U0U [1,1,0,0,0,0|1,0,0]=3 2668 B10R1.1 OCCc1ccc(cc1)C 1P003BJ1 [1,1,0,0,0,0|1,0,0]=3 2669 B10R1.1 OCCc1ccc(cc1)Cl 1P003LOE [1,1,0,0,0,0|1,0,0]=3 2670 B10R1.1 OCCc1ccc(cc1)F 1P003FD0 [1,1,0,0,0,0|1,0,0]=3 2671 B10R1.1 OCCc1ccc(cc1)I 1P00DCHR [1,1,0,0,0,0|1,0,0]=3 2672 B10R1.1 OCCc1ccc(cc1)N 1P0038HA [1,1,0,0,0,0|1,0,0]=3 2673 B10R1.1 OCCc1ccc(cc1)O 1P0034J3 [1,1,0,0,0,0|1,0,0]=3 2674 B10R1.1 OCCc1ccc(cn1)Br 1P007Q4U [1,1,0,0,0,0|2,0,0]=4 2675 B10R1.1 OCCc1ccc(cn1)C 1P01C53A [1,1,0,0,0,0|2,0,0]=4 2676 B10R1.1 OCCc1ccc(cn1)N 1P01BBSL [1,1,0,0,0,0|2,0,0]=4 2677 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [1,1,0,0,0,0|2,0,0]=4 2678 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [1,1,0,0,0,0|2,0,0]=4 2679 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [1,1,0,0,0,0|2,0,0]=4 2680 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [1,1,0,0,0,0|2,0,0]=4 2681 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [1,1,0,0,0,0|2,0,0]=4 2682 B10R1.4 BrCCc1ccccc1Br 1P008S5Q [1,1,0,0,0,0|1,0,0]=3 2683 B10R1.4 BrCCc1ccccc1C 1P001Y5M [1,1,0,0,0,0|1,0,0]=3 2684 B10R1.4 BrCCc1ccccc1Cl 1P001Y5L [1,1,0,0,0,0|1,0,0]=3 2685 B10R1.4 BrCCc1ccccc1F 1P003DA4 [1,1,0,0,0,0|1,0,0]=3 2686 B10R1.4 BrCCc1ccccc1O 1P00ELH4 [1,1,0,0,0,0|1,0,0]=3 2687 B10R1.4 BrCCn1ccccc1=O 1P01A89Y [1,1,0,0,0,0|2,0,0]=4 2688 B10R1.4 C#CCc1ccccc1F 1P01DVP6 [1,1,0,0,0,0|1,0,1]=4 2689 B10R1.4 C#CCc1ccccc1O 1P00CLW6 [1,1,0,0,0,0|1,0,1]=4 2690 B10R1.4 C=CCc1ccccc1Br 1P003EDU [1,1,0,0,0,0|1,0,1]=4 2691 B10R1.4 C=CCc1ccccc1C 1P001R8K [1,1,0,0,0,0|1,0,1]=4 2692 B10R1.4 C=CCc1ccccc1Cl 1P001R8I [1,1,0,0,0,0|1,0,1]=4 2693 B10R1.4 C=CCc1ccccc1O 1P002064 [1,1,0,0,0,0|1,0,1]=4 2694 B10R1.4 CCCc1ccccc1Br 1P01A28R [1,1,0,0,0,0|1,0,0]=3 2695 B10R1.4 CCCc1ccccc1I 1P007DSL [1,1,0,0,0,0|1,0,0]=3 2696 B10R1.4 CCCc1ccccc1N 1P0023UO [1,1,0,0,0,0|1,0,0]=3 2697 B10R1.4 CCCc1ccccc1N 1P028ATX [1,1,0,0,0,0|1,0,0]=3 2698 B10R1.4 CCCn1ccccc1=O 1P00AQ0W [1,1,0,0,0,0|2,0,0]=4 2699 B10R1.4 CCNc1ccccc1Br 1P01JMHB [1,1,0,0,0,0|2,0,0]=4 2700 B10R1.4 CCNc1ccccc1C 1P00IIDL [1,1,0,0,0,0|2,0,0]=4 2701 B10R1.4 CCNc1ccccc1Cl 1P01B8QN [1,1,0,0,0,0|2,0,0]=4 2702 B10R1.4 CCNc1ccccc1F 1P00BEFS [1,1,0,0,0,0|2,0,0]=4 2703 B10R1.4 CCNc1ccccc1I 1P028SHN [1,1,0,0,0,0|2,0,0]=4 2704 B10R1.4 CCNc1ccccc1N 1P00BJJ4 [1,1,0,0,0,0|2,0,0]=4 2705 B10R1.4 CCNc1ccccc1O 1P0037GB [1,1,0,0,0,0|2,0,0]=4 2706 B10R1.4 CCNc1ccccc1O 1P0282E1 [1,1,0,0,0,0|2,0,0]=4 2707 B10R1.4 CCOc1ccccc1Br 1P003EJT [1,1,0,0,0,0|2,0,0]=4 2708 B10R1.4 CCOc1ccccc1C 1P00EDEP [1,1,0,0,0,0|2,0,0]=4 2709 B10R1.4 CCOc1ccccc1F 1P00DC78 [1,1,0,0,0,0|2,0,0]=4 2710 B10R1.4 CCOc1ccccc1I 1P00EOB3 [1,1,0,0,0,0|2,0,0]=4 2711 B10R1.4 CCOc1ccccc1N 1P003HMW [1,1,0,0,0,0|2,0,0]=4 2712 B10R1.4 CCOc1ccccc1N 1P003TY7 [1,1,0,0,0,0|2,0,0]=4 2713 B10R1.4 CCSc1ccccc1Br 1P008E10 [1,1,0,0,0,0|2,0,0]=4 2714 B10R1.4 CCSc1ccccc1Cl 1P00I77K [1,1,0,0,0,0|2,0,0]=4 2715 B10R1.4 CCSc1ccccc1N 1P001AY7 [1,1,0,0,0,0|2,0,0]=4 2716 B10R1.4 CCSc1ccccc1N 1P00J3QB [1,1,0,0,0,0|2,0,0]=4 2717 B10R1.4 CCSc1ccccc1O 1P002Z6A [1,1,0,0,0,0|2,0,0]=4 2718 B10R1.4 CNCc1ccccc1Br 1P003C2Q [1,1,0,0,0,0|2,0,0]=4 2719 B10R1.4 CNCc1ccccc1C 1P004MU6 [1,1,0,0,0,0|2,0,0]=4 2720 B10R1.4 CNCc1ccccc1C 1P00J2B1 [1,1,0,0,0,0|2,0,0]=4 2721 B10R1.4 CNCc1ccccc1Cl 1P005WFN [1,1,0,0,0,0|2,0,0]=4 2722 B10R1.4 CNCc1ccccc1F 1P003C3Y [1,1,0,0,0,0|2,0,0]=4 2723 B10R1.4 CNCc1ccccc1F 1P019WE2 [1,1,0,0,0,0|2,0,0]=4 2724 B10R1.4 CNCc1ccccc1I 1P028D3W [1,1,0,0,0,0|2,0,0]=4 2725 B10R1.4 CNCc1ccccc1N 1P00B4VD [1,1,0,0,0,0|2,0,0]=4 2726 B10R1.4 CNCc1ccccc1O 1P003HWH [1,1,0,0,0,0|2,0,0]=4 2727 B10R1.4 CNCc1ccccc1O 1P00IBRS [1,1,0,0,0,0|2,0,0]=4 2728 B10R1.4 CNCc1ccccc1O 1P019NN0 [1,1,0,0,0,0|2,0,0]=4 2729 B10R1.4 COCc1ccccc1Br 1P00DAT5 [1,1,0,0,0,0|2,0,0]=4 2730 B10R1.4 COCc1ccccc1N 1P019UQK [1,1,0,0,0,0|2,0,0]=4 2731 B10R1.4 COCc1ccccc1O 1P00EIVC [1,1,0,0,0,0|2,0,0]=4 2732 B10R1.4 CSCc1ccccc1Br 1P01AM4A [1,1,0,0,0,0|2,0,0]=4 2733 B10R1.4 CSCc1ccccc1F 1P01DIBG [1,1,0,0,0,0|2,0,0]=4 2734 B10R1.4 CSCc1ccccc1N 1P01AC36 [1,1,0,0,0,0|2,0,0]=4 2735 B10R1.4 Cc1ccncc1CCN 1P01A10B [1,1,0,0,0,0|1,0,0]=3 2736 B10R1.4 Cc1ncccc1CCN 1P00E8BN [1,1,0,0,0,0|1,0,0]=3 2737 B10R1.4 Cc1nccnc1CCN 1P01AN51 [1,1,0,0,0,0|2,0,0]=4 2738 B10R1.4 ClCCc1ccccc1Br 1P01BE7C [1,1,0,0,0,0|1,0,0]=3 2739 B10R1.4 ClCCc1ccccc1C 1P0076GQ [1,1,0,0,0,0|1,0,0]=3 2740 B10R1.4 ClCCc1ccccc1Cl 1P0002MK [1,1,0,0,0,0|1,0,0]=3 2741 B10R1.4 ClCCc1ccccc1F 1P000Q40 [1,1,0,0,0,0|1,0,0]=3 2742 B10R1.4 ClCCc1ccncc1Br 1P028UZ5 [1,1,0,0,0,0|2,0,0]=4 2743 B10R1.4 ClCCn1ccccc1=O 1P021660 [1,1,0,0,0,0|2,0,0]=4 2744 B10R1.4 ClCOc1ccccc1F 1P01BK9I [1,1,0,0,0,0|2,0,0]=4 2745 B10R1.4 ClCSc1ccccc1C 1P01IES8 [1,1,0,0,0,0|2,0,0]=4 2746 B10R1.4 Clc1ncccc1CCCl 1P01EMD0 [1,1,0,0,0,0|2,0,0]=4 2747 B10R1.4 Fc1ncccc1CCCl 1P028QVG [1,1,0,0,0,0|2,0,0]=4 2748 B10R1.4 ICCc1ccccc1F 1P01BEPP [1,1,0,0,0,0|1,0,0]=3 2749 B10R1.4 N#CCc1ccccc1Br 1P0033NG [1,1,0,0,0,0|0,0,2]=4 2750 B10R1.4 N#CCc1ccccc1C 1P003BPV [1,1,0,0,0,0|0,0,2]=4 2751 B10R1.4 N#CCc1ccccc1Cl 1P002W6M [1,1,0,0,0,0|0,0,2]=4 2752 B10R1.4 N#CCc1ccccc1F 1P003HSC [1,1,0,0,0,0|0,0,2]=4 2753 B10R1.4 N#CCc1ccccc1I 1P003HXN [1,1,0,0,0,0|0,0,2]=4 2754 B10R1.4 N#CCc1ccccc1N 1P002ZPN [1,1,0,0,0,0|0,0,2]=4 2755 B10R1.4 N#CCc1ccccc1O 1P001F4B [1,1,0,0,0,0|0,0,2]=4 2756 B10R1.4 NCCc1ccccc1Br 1P0033NE [1,1,0,0,0,0|0,0,0]=2 2757 B10R1.4 NCCc1ccccc1Br 1P009XKK [1,1,0,0,0,0|0,0,0]=2 2758 B10R1.4 NCCc1ccccc1C 1P00IAEQ [1,1,0,0,0,0|0,0,0]=2 2759 B10R1.4 NCCc1ccccc1Cl 1P003F85 [1,1,0,0,0,0|0,0,0]=2 2760 B10R1.4 NCCc1ccccc1F 1P00DERZ [1,1,0,0,0,0|0,0,0]=2 2761 B10R1.4 NCCc1ccccc1I 1P005C61 [1,1,0,0,0,0|0,0,0]=2 2762 B10R1.4 NCCc1ccccc1N 1P000HRK [1,1,0,0,0,0|0,0,0]=2 2763 B10R1.4 NCCc1ccccc1N 1P00DED7 [1,1,0,0,0,0|0,0,0]=2 2764 B10R1.4 NCCc1ccccc1O 1P0029N4 [1,1,0,0,0,0|0,0,0]=2 2765 B10R1.4 NCCc1ccccc1O 1P019VVD [1,1,0,0,0,0|0,0,0]=2 2766 B10R1.4 NCCc1cccnc1Cl 1P028PPO [1,1,0,0,0,0|1,0,0]=3 2767 B10R1.4 NCCc1cccnc1F 1P028R5T [1,1,0,0,0,0|1,0,0]=3 2768 B10R1.4 NCCc1cccnc1O 1P027WOI [1,1,0,0,0,0|1,0,0]=3 2769 B10R1.4 NCCc1cccnc1O 1P028FLD [1,1,0,0,0,0|1,0,0]=3 2770 B10R1.4 NCCc1ccncc1Br 1P01ELK2 [1,1,0,0,0,0|1,0,0]=3 2771 B10R1.4 NCCc1ccncc1C 1P01A31B [1,1,0,0,0,0|1,0,0]=3 2772 B10R1.4 NCCc1ccncc1Cl 1P027XZC [1,1,0,0,0,0|1,0,0]=3 2773 B10R1.4 NCCc1ncccc1Br 1P006RZ7 [1,1,0,0,0,0|1,0,0]=3 2774 B10R1.4 NCCc1ncccc1C 1P004NE2 [1,1,0,0,0,0|1,0,0]=3 2775 B10R1.4 NCCc1ncccc1C 1P01C4WV [1,1,0,0,0,0|1,0,0]=3 2776 B10R1.4 NCCc1ncccc1F 1P00AO5H [1,1,0,0,0,0|1,0,0]=3 2777 B10R1.4 NCCn1ccccc1=O 1P00CAS4 [1,1,0,0,0,0|1,0,0]=3 2778 B10R1.4 NCCn1ccccc1=O 1P019ZY4 [1,1,0,0,0,0|1,0,0]=3 2779 B10R1.4 NCCn1cccnc1=O 1P01FJVP [1,1,0,0,0,0|2,0,0]=4 2780 B10R1.4 NCCn1cnccc1=O 1P01C4PJ [1,1,0,0,0,0|2,0,0]=4 2781 B10R1.4 NCCn1ncccc1=O 1P01AS7H [1,1,0,0,0,0|2,0,0]=4 2782 B10R1.4 NN=Cc1ccccc1O 1P00BLJ2 [1,1,0,0,0,0|1,0,1]=4 2783 B10R1.4 NNCc1ccccc1Br 1P00HUAC [1,1,0,0,0,0|1,0,0]=3 2784 B10R1.4 NNCc1ccccc1C 1P00J1XT [1,1,0,0,0,0|1,0,0]=3 2785 B10R1.4 NNCc1ccccc1Cl 1P00EM60 [1,1,0,0,0,0|1,0,0]=3 2786 B10R1.4 NNCc1ccccc1Cl 1P019D1I [1,1,0,0,0,0|1,0,0]=3 2787 B10R1.4 NNCc1ccccc1F 1P0015VJ [1,1,0,0,0,0|1,0,0]=3 2788 B10R1.4 NNCc1ccccc1F 1P003951 [1,1,0,0,0,0|1,0,0]=3 2789 B10R1.4 NNCc1ccccc1F 1P009GXI [1,1,0,0,0,0|1,0,0]=3 2790 B10R1.4 NNCc1ccccc1O 1P028ZMU [1,1,0,0,0,0|1,0,0]=3 2791 B10R1.4 NOCc1ccccc1C 1P008PH3 [1,1,0,0,0,0|1,0,0]=3 2792 B10R1.4 NOCc1ccccc1Cl 1P00DJ0J [1,1,0,0,0,0|1,0,0]=3 2793 B10R1.4 NOCc1ccccc1F 1P00BHGU [1,1,0,0,0,0|1,0,0]=3 2794 B10R1.4 Nc1ncccc1CCN 1P01EKM6 [1,1,0,0,0,0|1,0,0]=3 2795 B10R1.4 O=CCc1ccccc1Br 1P00IKAJ [1,1,0,0,0,0|1,0,1]=4 2796 B10R1.4 O=CCc1ccccc1Cl 1P00BZYQ [1,1,0,0,0,0|1,0,1]=4 2797 B10R1.4 O=CCc1ccccc1F 1P008QZL [1,1,0,0,0,0|1,0,1]=4 2798 B10R1.4 OCCc1cccc[n+]1C 1P01B5VE [1,1,0,0,0,0|2,0,0]=4 2799 B10R1.4 OCCc1ccccc1Br 1P0033B7 [1,1,0,0,0,0|1,0,0]=3 2800 B10R1.4 OCCc1ccccc1C 1P002BSO [1,1,0,0,0,0|1,0,0]=3 2801 B10R1.4 OCCc1ccccc1Cl 1P002BSP [1,1,0,0,0,0|1,0,0]=3 2802 B10R1.4 OCCc1ccccc1F 1P003HSQ [1,1,0,0,0,0|1,0,0]=3 2803 B10R1.4 OCCc1ccccc1I 1P002S0H [1,1,0,0,0,0|1,0,0]=3 2804 B10R1.4 OCCc1ccccc1N 1P0033L2 [1,1,0,0,0,0|1,0,0]=3 2805 B10R1.4 OCCc1ccccc1N 1P028P0Y [1,1,0,0,0,0|1,0,0]=3 2806 B10R1.4 OCCc1cccnc1Cl 1P01DVQ8 [1,1,0,0,0,0|2,0,0]=4 2807 B10R1.4 OCCc1cccnc1F 1P00B8Q6 [1,1,0,0,0,0|2,0,0]=4 2808 B10R1.4 OCCc1ccncc1Br 1P01DZQ5 [1,1,0,0,0,0|2,0,0]=4 2809 B10R1.4 OCCc1ccncc1C 1P01C3LX [1,1,0,0,0,0|2,0,0]=4 2810 B10R1.4 OCCc1ncccc1Br 1P000LZX [1,1,0,0,0,0|2,0,0]=4 2811 B10R1.4 OCCc1ncccc1C 1P00DDGW [1,1,0,0,0,0|2,0,0]=4 2812 B10R1.4 OCCc1ncccc1F 1P000177 [1,1,0,0,0,0|2,0,0]=4 2813 B10R1.4 OCCn1ccccc1=O 1P019YLA [1,1,0,0,0,0|2,0,0]=4 2814 B10R1.4 ONCc1ccccc1Cl 1P01BIC9 [1,1,0,0,0,0|2,0,0]=4 2815 B10R1.4 SCCc1ccccc1Cl 1P01EJ97 [1,1,0,0,0,0|1,0,0]=3 2816 B10R1.4 SCCc1ccccc1I 1P0025ZP [1,1,0,0,0,0|1,0,0]=3 2817 B10R1.4 [C-]#[N+]Cc1ccccc1Br 1P028XJM [1,1,0,0,0,0|2,0,0]=4 2818 B10R1.4 [NH3+]OCc1ccccc1Br 1P006VPJ [1,1,0,0,0,0|1,0,1]=4 2819 B10R1.10 BrCCc1cccc(c1)Br 1P003JLH [1,1,0,0,0,0|1,0,0]=3 2820 B10R1.10 BrCCc1cccc(c1)C 1P001Y74 [1,1,0,0,0,0|1,0,0]=3 2821 B10R1.10 BrCCc1cccc(c1)Cl 1P003JRP [1,1,0,0,0,0|1,0,0]=3 2822 B10R1.10 BrCCc1cccc(c1)F 1P002QNY [1,1,0,0,0,0|1,0,0]=3 2823 B10R1.10 C#CCc1cccc(c1)Cl 1P023JBT [1,1,0,0,0,0|1,0,1]=4 2824 B10R1.10 C=CCc1cccc(c1)Br 1P0024GG [1,1,0,0,0,0|1,0,1]=4 2825 B10R1.10 C=CCc1cccc(c1)C 1P003EDX [1,1,0,0,0,0|1,0,1]=4 2826 B10R1.10 C=CCc1cccc(c1)F 1P0032AM [1,1,0,0,0,0|1,0,1]=4 2827 B10R1.10 C=CCc1cccc(c1)O 1P001KAF [1,1,0,0,0,0|1,0,1]=4 2828 B10R1.10 CCCc1cc(Br)ccn1 1P00IKJL [1,1,0,0,0,0|2,0,0]=4 2829 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [1,1,0,0,0,0|1,0,0]=3 2830 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [1,1,0,0,0,0|1,0,0]=3 2831 B10R1.10 CCCc1cccc(c1)F 1P002W84 [1,1,0,0,0,0|1,0,0]=3 2832 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [1,1,0,0,0,0|1,0,0]=3 2833 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [1,1,0,0,0,0|1,0,0]=3 2834 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [1,1,0,0,0,0|1,0,0]=3 2835 B10R1.10 CCCc1cccc(n1)N 1P00C7SD [1,1,0,0,0,0|2,0,0]=4 2836 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [1,1,0,0,0,0|2,0,0]=4 2837 B10R1.10 CCNc1cccc(c1)Br 1P00CRQM [1,1,0,0,0,0|2,0,0]=4 2838 B10R1.10 CCNc1cccc(c1)Br 1P019NBM [1,1,0,0,0,0|2,0,0]=4 2839 B10R1.10 CCNc1cccc(c1)C 1P0006PN [1,1,0,0,0,0|2,0,0]=4 2840 B10R1.10 CCNc1cccc(c1)Cl 1P00ABHB [1,1,0,0,0,0|2,0,0]=4 2841 B10R1.10 CCNc1cccc(c1)F 1P00I5LO [1,1,0,0,0,0|2,0,0]=4 2842 B10R1.10 CCNc1cccc(c1)F 1P019WHA [1,1,0,0,0,0|2,0,0]=4 2843 B10R1.10 CCNc1cccc(c1)N 1P006XSQ [1,1,0,0,0,0|2,0,0]=4 2844 B10R1.10 CCNc1cccc(c1)O 1P000XKE [1,1,0,0,0,0|2,0,0]=4 2845 B10R1.10 CCNc1cccc(c1)O 1P00EUNZ [1,1,0,0,0,0|2,0,0]=4 2846 B10R1.10 CCOc1cccc(c1)Br 1P002U57 [1,1,0,0,0,0|2,0,0]=4 2847 B10R1.10 CCOc1cccc(c1)F 1P00I906 [1,1,0,0,0,0|2,0,0]=4 2848 B10R1.10 CCOc1cccc(c1)I 1P00BG0X [1,1,0,0,0,0|2,0,0]=4 2849 B10R1.10 CCOc1cccc(c1)N 1P0037EN [1,1,0,0,0,0|2,0,0]=4 2850 B10R1.10 CCOc1cccc(c1)O 1P003JUL [1,1,0,0,0,0|2,0,0]=4 2851 B10R1.10 CCOc1cccc(c1)S 1P003JUE [1,1,0,0,0,0|2,0,0]=4 2852 B10R1.10 CCSc1cccc(c1)Br 1P0023MI [1,1,0,0,0,0|2,0,0]=4 2853 B10R1.10 CCSc1cccc(c1)C 1P00CURM [1,1,0,0,0,0|2,0,0]=4 2854 B10R1.10 CCSc1cccc(c1)N 1P0026DH [1,1,0,0,0,0|2,0,0]=4 2855 B10R1.10 CNCc1cccc(c1)Br 1P003C82 [1,1,0,0,0,0|2,0,0]=4 2856 B10R1.10 CNCc1cccc(c1)Br 1P003TNA [1,1,0,0,0,0|2,0,0]=4 2857 B10R1.10 CNCc1cccc(c1)C 1P003K89 [1,1,0,0,0,0|2,0,0]=4 2858 B10R1.10 CNCc1cccc(c1)C 1P028EM9 [1,1,0,0,0,0|2,0,0]=4 2859 B10R1.10 CNCc1cccc(c1)Cl 1P003JRN [1,1,0,0,0,0|2,0,0]=4 2860 B10R1.10 CNCc1cccc(c1)Cl 1P006R42 [1,1,0,0,0,0|2,0,0]=4 2861 B10R1.10 CNCc1cccc(c1)F 1P003C90 [1,1,0,0,0,0|2,0,0]=4 2862 B10R1.10 CNCc1cccc(c1)I 1P01RCKU [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.10 CNCc1cccc(c1)N 1P003JE0 [1,1,0,0,0,0|2,0,0]=4 2864 B10R1.10 CNCc1cccc(c1)O 1P000LPH [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.10 COCc1cccc(c1)Br 1P001NU4 [1,1,0,0,0,0|2,0,0]=4 2866 B10R1.10 COCc1cccc(c1)C 1P01H9A5 [1,1,0,0,0,0|2,0,0]=4 2867 B10R1.10 COCc1cccc(c1)N 1P003IPB [1,1,0,0,0,0|2,0,0]=4 2868 B10R1.10 COCc1cccc(c1)O 1P00IANX [1,1,0,0,0,0|2,0,0]=4 2869 B10R1.10 CSCc1cccc(c1)Br 1P00ID71 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.10 CSCc1cccc(c1)F 1P01DIBF [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.10 CSCc1cccc(c1)N 1P01AHLX [1,1,0,0,0,0|2,0,0]=4 2872 B10R1.10 Cc1cccc(n1)CCBr 1P00J2ET [1,1,0,0,0,0|2,0,0]=4 2873 B10R1.10 Cc1cccc(n1)CCN 1P003FF8 [1,1,0,0,0,0|1,0,0]=3 2874 B10R1.10 Cc1cccc(n1)CCO 1P00GRQ8 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.10 ClCCc1cccc(c1)C 1P00CS1D [1,1,0,0,0,0|1,0,0]=3 2876 B10R1.10 ClCCc1cccc(c1)Cl 1P00DRJV [1,1,0,0,0,0|1,0,0]=3 2877 B10R1.10 ClCCc1cccc(c1)F 1P00CRES [1,1,0,0,0,0|1,0,0]=3 2878 B10R1.10 ClCCc1cncc(c1)F 1P01EM8Z [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.10 Clc1cc(CCBr)ncc1 1P0291JG [1,1,0,0,0,0|2,0,0]=4 2880 B10R1.10 FCCc1cccc(c1)N 1P028L7R [1,1,0,0,0,0|1,0,0]=3 2881 B10R1.10 FCOc1cccc(c1)Br 1P0201BO [1,1,0,0,0,0|2,0,0]=4 2882 B10R1.10 FCOc1cccc(c1)I 1P0293OZ [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.10 FCOc1cccc(c1)N 1P027WRY [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.10 N#CCc1cccc(c1)Br 1P003JLJ [1,1,0,0,0,0|0,0,2]=4 2885 B10R1.10 N#CCc1cccc(c1)C 1P002YYS [1,1,0,0,0,0|0,0,2]=4 2886 B10R1.10 N#CCc1cccc(c1)Cl 1P003JRW [1,1,0,0,0,0|0,0,2]=4 2887 B10R1.10 N#CCc1cccc(c1)F 1P003JYA [1,1,0,0,0,0|0,0,2]=4 2888 B10R1.10 N#CCc1cccc(c1)I 1P000VBA [1,1,0,0,0,0|0,0,2]=4 2889 B10R1.10 N#CCc1cccc(c1)N 1P00DA3L [1,1,0,0,0,0|0,0,2]=4 2890 B10R1.10 N#CCc1cccc(c1)O 1P0038M2 [1,1,0,0,0,0|0,0,2]=4 2891 B10R1.10 NCCc1cc(Br)ncn1 1P028S37 [1,1,0,0,0,0|2,0,0]=4 2892 B10R1.10 NCCc1cc(O)ncn1 1P0280WI [1,1,0,0,0,0|2,0,0]=4 2893 B10R1.10 NCCc1cccc(=O)[nH]1 1P00J3AI [1,1,0,0,0,0|1,0,0]=3 2894 B10R1.10 NCCc1cccc(c1)Br 1P0037LP [1,1,0,0,0,0|0,0,0]=2 2895 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [1,1,0,0,0,0|0,0,0]=2 2896 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [1,1,0,0,0,0|0,0,0]=2 2897 B10R1.10 NCCc1cccc(c1)Cl 1P003JRS [1,1,0,0,0,0|0,0,0]=2 2898 B10R1.10 NCCc1cccc(c1)F 1P003JY5 [1,1,0,0,0,0|0,0,0]=2 2899 B10R1.10 NCCc1cccc(c1)I 1P01FXNY [1,1,0,0,0,0|0,0,0]=2 2900 B10R1.10 NCCc1cccc(c1)I 1P027YWC [1,1,0,0,0,0|0,0,0]=2 2901 B10R1.10 NCCc1cccc(c1)N 1P004DKM [1,1,0,0,0,0|0,0,0]=2 2902 B10R1.10 NCCc1cccc(c1)N 1P00G36E [1,1,0,0,0,0|0,0,0]=2 2903 B10R1.10 NCCc1cccc(c1)O 1P003K1G [1,1,0,0,0,0|0,0,0]=2 2904 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [1,1,0,0,0,0|0,0,0]=2 2905 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [1,1,0,0,0,0|0,0,0]=2 2906 B10R1.10 NCCc1cccc(n1)F 1P01A0E1 [1,1,0,0,0,0|1,0,0]=3 2907 B10R1.10 NCCc1ccnc(c1)C 1P00F9NH [1,1,0,0,0,0|1,0,0]=3 2908 B10R1.10 NCCc1ccnc(c1)C 1P01EIKC [1,1,0,0,0,0|1,0,0]=3 2909 B10R1.10 NCCc1ccnc(c1)Cl 1P028Z1X [1,1,0,0,0,0|1,0,0]=3 2910 B10R1.10 NCCc1ccnc(c1)F 1P023ZSI [1,1,0,0,0,0|1,0,0]=3 2911 B10R1.10 NCCc1ccnc(c1)N 1P01B38D [1,1,0,0,0,0|1,0,0]=3 2912 B10R1.10 NCCc1ccnc(c1)O 1P01BY6E [1,1,0,0,0,0|1,0,0]=3 2913 B10R1.10 NCCc1ccnc(n1)C 1P028RYD [1,1,0,0,0,0|2,0,0]=4 2914 B10R1.10 NCCc1ccnc(n1)N 1P027WCC [1,1,0,0,0,0|2,0,0]=4 2915 B10R1.10 NCCc1ccnc(n1)O 1P0289IN [1,1,0,0,0,0|2,0,0]=4 2916 B10R1.10 NCCc1cncc(c1)F 1P0095P2 [1,1,0,0,0,0|1,0,0]=3 2917 B10R1.10 NCCc1cncc(c1)O 1P01B87N [1,1,0,0,0,0|1,0,0]=3 2918 B10R1.10 NCCc1nccc(=O)[nH]1 1P027KCX [1,1,0,0,0,0|2,0,0]=4 2919 B10R1.10 NCCc1nccc(n1)C 1P01DXCF [1,1,0,0,0,0|2,0,0]=4 2920 B10R1.10 NCCc1ncnc(c1)O 1P0289J1 [1,1,0,0,0,0|2,0,0]=4 2921 B10R1.10 NNCc1cccc(c1)Br 1P019ZHS [1,1,0,0,0,0|1,0,0]=3 2922 B10R1.10 NNCc1cccc(c1)Br 1P01DDSX [1,1,0,0,0,0|1,0,0]=3 2923 B10R1.10 NNCc1cccc(c1)C 1P00J1XM [1,1,0,0,0,0|1,0,0]=3 2924 B10R1.10 NNCc1cccc(c1)C 1P028PB6 [1,1,0,0,0,0|1,0,0]=3 2925 B10R1.10 NNCc1cccc(c1)Cl 1P000RQ2 [1,1,0,0,0,0|1,0,0]=3 2926 B10R1.10 NNCc1cccc(c1)Cl 1P002RTJ [1,1,0,0,0,0|1,0,0]=3 2927 B10R1.10 NNCc1cccc(c1)F 1P0001BT [1,1,0,0,0,0|1,0,0]=3 2928 B10R1.10 NNCc1cccc(c1)F 1P01A12G [1,1,0,0,0,0|1,0,0]=3 2929 B10R1.10 NNCc1cccc(c1)O 1P003K10 [1,1,0,0,0,0|1,0,0]=3 2930 B10R1.10 NNCc1cccc(n1)C 1P01B78Y [1,1,0,0,0,0|2,0,0]=4 2931 B10R1.10 NNCc1cncc(c1)F 1P028MND [1,1,0,0,0,0|2,0,0]=4 2932 B10R1.10 NOCc1cccc(c1)Cl 1P002ZCM [1,1,0,0,0,0|1,0,0]=3 2933 B10R1.10 NOCc1cccc(c1)Cl 1P01T5T0 [1,1,0,0,0,0|1,0,0]=3 2934 B10R1.10 NOCc1cccc(c1)F 1P00DCMO [1,1,0,0,0,0|1,0,0]=3 2935 B10R1.10 NOCc1cccc(n1)C 1P01AG90 [1,1,0,0,0,0|2,0,0]=4 2936 B10R1.10 NOCc1cccc(n1)Cl 1P00BB7Z [1,1,0,0,0,0|2,0,0]=4 2937 B10R1.10 Nc1cc(CCO)ncc1 1P009SDJ [1,1,0,0,0,0|2,0,0]=4 2938 B10R1.10 Nc1cccc(n1)CCO 1P009SDH [1,1,0,0,0,0|2,0,0]=4 2939 B10R1.10 O=CCc1cccc(c1)Br 1P008SJJ [1,1,0,0,0,0|1,0,1]=4 2940 B10R1.10 O=CCc1cccc(c1)C 1P005ZAB [1,1,0,0,0,0|1,0,1]=4 2941 B10R1.10 O=CCc1cccc(c1)Cl 1P00BZE9 [1,1,0,0,0,0|1,0,1]=4 2942 B10R1.10 O=CCc1cccc(c1)F 1P00G36B [1,1,0,0,0,0|1,0,1]=4 2943 B10R1.10 OCCc1cc(Br)ccn1 1P005W1Y [1,1,0,0,0,0|2,0,0]=4 2944 B10R1.10 OCCc1cccc(c1)Br 1P00343L [1,1,0,0,0,0|1,0,0]=3 2945 B10R1.10 OCCc1cccc(c1)C 1P0075A6 [1,1,0,0,0,0|1,0,0]=3 2946 B10R1.10 OCCc1cccc(c1)Cl 1P003JRR [1,1,0,0,0,0|1,0,0]=3 2947 B10R1.10 OCCc1cccc(c1)F 1P003JY4 [1,1,0,0,0,0|1,0,0]=3 2948 B10R1.10 OCCc1cccc(c1)N 1P00D8JE [1,1,0,0,0,0|1,0,0]=3 2949 B10R1.10 OCCc1cccc(c1)O 1P0071LP [1,1,0,0,0,0|1,0,0]=3 2950 B10R1.10 OCCc1cccc(n1)Br 1P00376A [1,1,0,0,0,0|2,0,0]=4 2951 B10R1.10 OCCc1ccnc(c1)Br 1P020KUY [1,1,0,0,0,0|2,0,0]=4 2952 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [1,1,0,0,0,0|2,0,0]=4 2953 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [1,1,0,0,0,0|2,0,0]=4 2954 B10R1.10 SCCc1cccc(c1)C 1P01FFL5 [1,1,0,0,0,0|1,0,0]=3 2955 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl 1P007W6T [1,1,0,0,0,0|2,0,0]=4 2956 B10R1.17 BrCC#Cc1ccccc1 1P01FEYM [1,1,0,0,0,0|1,0,1]=4 2957 B10R1.17 BrCCCc1ccccc1 1P003EL3 [1,1,0,0,0,0|1,0,0]=3 2958 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [1,1,0,0,0,0|2,0,0]=4 2959 B10R1.17 BrCCCc1ccncc1 1P01A6KW [1,1,0,0,0,0|2,0,0]=4 2960 B10R1.17 BrCCOc1ccccc1 1P003IB5 [1,1,0,0,0,0|1,0,0]=3 2961 B10R1.17 BrCCOc1cccnc1 1P01AG87 [1,1,0,0,0,0|2,0,0]=4 2962 B10R1.17 BrCCSc1ccccc1 1P003H8K [1,1,0,0,0,0|1,0,0]=3 2963 B10R1.17 BrCOCc1ccccc1 1P0025GN [1,1,0,0,0,0|1,0,0]=3 2964 B10R1.17 BrC\C=C\c1ccccc1 1P003PDK [1,1,0,0,0,0|1,0,1]=4 2965 B10R1.17 C#CCOc1ccccc1 1P003U5X [1,1,0,0,0,0|1,0,1]=4 2966 B10R1.17 C#CCSc1ccccc1 1P003U5Y [1,1,0,0,0,0|1,0,1]=4 2967 B10R1.17 C=CCCc1ccccc1 1P003MFS [1,1,0,0,0,0|1,0,0]=3 2968 B10R1.17 C=CCCc1ccccn1 1P002M25 [1,1,0,0,0,0|2,0,0]=4 2969 B10R1.17 C=CCCc1cccnc1 1P00663U [1,1,0,0,0,0|2,0,0]=4 2970 B10R1.17 C=CCNc1ccccc1 1P003T6A [1,1,0,0,0,0|1,0,1]=4 2971 B10R1.17 C=CCOc1ccccc1 1P00209R [1,1,0,0,0,0|1,0,1]=4 2972 B10R1.17 C=CCSc1ccccc1 1P003O6K [1,1,0,0,0,0|1,0,1]=4 2973 B10R1.17 C=COCc1ccccc1 1P003AEJ [1,1,0,0,0,0|1,0,1]=4 2974 B10R1.17 C=NOCc1ccccc1 1P027KVW [1,1,0,0,0,0|1,0,1]=4 2975 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [1,1,0,0,0,0|1,0,1]=4 2976 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [1,1,0,0,0,0|2,0,0]=4 2977 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [1,1,0,0,0,0|2,0,0]=4 2978 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [1,1,0,0,0,0|2,0,0]=4 2979 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [1,1,0,0,0,0|2,0,0]=4 2980 B10R1.17 CCCC[n+]1ccccc1 1P007726 [1,1,0,0,0,0|2,0,0]=4 2981 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [1,1,0,0,0,0|2,0,0]=4 2982 B10R1.17 CCCCc1ccccc1 1P003P2W [1,1,0,0,0,0|1,0,0]=3 2983 B10R1.17 CCCCc1ccccn1 1P01FFM0 [1,1,0,0,0,0|2,0,0]=4 2984 B10R1.17 CCCCc1cccnc1 1P00343V [1,1,0,0,0,0|2,0,0]=4 2985 B10R1.17 CCCCc1ccncc1 1P00I9ZL [1,1,0,0,0,0|2,0,0]=4 2986 B10R1.17 CCCNc1ccccc1 1P003TSL [1,1,0,0,0,0|1,0,0]=3 2987 B10R1.17 CCCNc1cccnc1 1P019YSP [1,1,0,0,0,0|2,0,0]=4 2988 B10R1.17 CCCOc1ccccc1 1P00E98Z [1,1,0,0,0,0|1,0,0]=3 2989 B10R1.17 CCCSc1ccccn1 1P01EV41 [1,1,0,0,0,0|2,0,0]=4 2990 B10R1.17 CCNCc1ccccc1 1P003TGS [1,1,0,0,0,0|1,0,0]=3 2991 B10R1.17 CCNCc1ccccn1 1P003SQR [1,1,0,0,0,0|2,0,0]=4 2992 B10R1.17 CCNCc1cccnc1 1P003TH6 [1,1,0,0,0,0|2,0,0]=4 2993 B10R1.17 CCNCc1ccncc1 1P003KOX [1,1,0,0,0,0|2,0,0]=4 2994 B10R1.17 CCSCc1ccccn1 1P007ETZ [1,1,0,0,0,0|2,0,0]=4 2995 B10R1.17 CNCCc1ccccc1 1P003TP4 [1,1,0,0,0,0|0,0,0]=2 2996 B10R1.17 CNCCc1ccccc1 1P00CJS7 [1,1,0,0,0,0|0,0,0]=2 2997 B10R1.17 CNCCc1ccccn1 1P003OMV [1,1,0,0,0,0|1,0,0]=3 2998 B10R1.17 CNCCc1ccccn1 1P003TMX [1,1,0,0,0,0|1,0,0]=3 2999 B10R1.17 CNCCc1ccccn1 1P00IAF0 [1,1,0,0,0,0|1,0,0]=3 3000 B10R1.17 CNCCc1cccnc1 1P00025V [1,1,0,0,0,0|1,0,0]=3 3001 B10R1.17 CNCCc1cccnc1 1P0039D0 [1,1,0,0,0,0|1,0,0]=3 3002 B10R1.17 CNCCc1ccncc1 1P0004J6 [1,1,0,0,0,0|1,0,0]=3 3003 B10R1.17 CNCCc1ccncc1 1P00D8ZU [1,1,0,0,0,0|1,0,0]=3 3004 B10R1.17 CNCCc1cnccn1 1P01A4OO [1,1,0,0,0,0|2,0,0]=4 3005 B10R1.17 CNCCc1ncccn1 1P01FKV1 [1,1,0,0,0,0|2,0,0]=4 3006 B10R1.17 CNNCc1ccccc1 1P007YMP [1,1,0,0,0,0|1,0,0]=3 3007 B10R1.17 CNNCc1ccccc1 1P01EKFO [1,1,0,0,0,0|1,0,0]=3 3008 B10R1.17 CNNCc1cccnc1 1P00IGF8 [1,1,0,0,0,0|2,0,0]=4 3009 B10R1.17 CNOCc1ccccc1 1P005PAZ [1,1,0,0,0,0|1,0,0]=3 3010 B10R1.17 CNOCc1ccccc1 1P01A29U [1,1,0,0,0,0|1,0,0]=3 3011 B10R1.17 COCCc1ccccc1 1P003C4E [1,1,0,0,0,0|1,0,0]=3 3012 B10R1.17 COCSc1ccccc1 1P0019FA [1,1,0,0,0,0|2,0,0]=4 3013 B10R1.17 CONCc1ccccc1 1P006Y6C [1,1,0,0,0,0|2,0,0]=4 3014 B10R1.17 CONCc1ccccc1 1P01A5XA [1,1,0,0,0,0|2,0,0]=4 3015 B10R1.17 ClCC#Cc1ccccc1 1P003C8O [1,1,0,0,0,0|1,0,1]=4 3016 B10R1.17 ClCC=Cc1ccccc1 1P00BCUF [1,1,0,0,0,0|1,0,1]=4 3017 B10R1.17 ClCCCc1ccccc1 1P003BI4 [1,1,0,0,0,0|1,0,0]=3 3018 B10R1.17 ClCCCc1ccccn1 1P01A6KY [1,1,0,0,0,0|2,0,0]=4 3019 B10R1.17 ClCCCc1cccnc1 1P002L24 [1,1,0,0,0,0|2,0,0]=4 3020 B10R1.17 ClCCCc1ccncc1 1P00AKXB [1,1,0,0,0,0|2,0,0]=4 3021 B10R1.17 ClCCNc1ccccc1 1P01DXCM [1,1,0,0,0,0|1,0,0]=3 3022 B10R1.17 ClCCNc1ccccc1 1P0280C1 [1,1,0,0,0,0|1,0,0]=3 3023 B10R1.17 ClCCOc1ccccc1 1P00IBGC [1,1,0,0,0,0|1,0,0]=3 3024 B10R1.17 ClCCSc1ccccc1 1P003C3J [1,1,0,0,0,0|1,0,0]=3 3025 B10R1.17 ClCOCc1ccccc1 1P0034YY [1,1,0,0,0,0|1,0,0]=3 3026 B10R1.17 ClCSCc1ccccc1 1P003OKP [1,1,0,0,0,0|1,0,0]=3 3027 B10R1.17 ClC\C=C\c1ccccc1 1P002LHG [1,1,0,0,0,0|1,0,1]=4 3028 B10R1.17 ICCCc1ccccc1 1P003EWA [1,1,0,0,0,0|1,0,0]=3 3029 B10R1.17 ICCOc1ccccc1 1P00C6JI [1,1,0,0,0,0|1,0,0]=3 3030 B10R1.17 N#CCCc1ccccc1 1P003KCJ [1,1,0,0,0,0|0,0,1]=3 3031 B10R1.17 N#CCCc1ccccn1 1P00C65K [1,1,0,0,0,0|1,0,1]=4 3032 B10R1.17 N#CCCc1ccncc1 1P004YZ0 [1,1,0,0,0,0|1,0,1]=4 3033 B10R1.17 N#CCNc1ccccc1 1P00I63F [1,1,0,0,0,0|0,0,2]=4 3034 B10R1.17 N#CCOc1ccccc1 1P003U55 [1,1,0,0,0,0|0,0,2]=4 3035 B10R1.17 N#CCSc1ccccc1 1P003U6Y [1,1,0,0,0,0|0,0,2]=4 3036 B10R1.17 N#CSCc1ccccc1 1P003OLC [1,1,0,0,0,0|0,0,2]=4 3037 B10R1.17 NCC#Cc1ccccc1 1P003KC2 [1,1,0,0,0,0|0,0,1]=3 3038 B10R1.17 NCC#Cc1cccnc1 1P00582X [1,1,0,0,0,0|1,0,1]=4 3039 B10R1.17 NCC#Cc1cccnc1 1P01EN8Z [1,1,0,0,0,0|1,0,1]=4 3040 B10R1.17 NCC=Cc1ccccn1 1P028BLD [1,1,0,0,0,0|1,0,1]=4 3041 B10R1.17 NCC=Cc1cccnc1 1P01BC7Z [1,1,0,0,0,0|1,0,1]=4 3042 B10R1.17 NCCCc1ccccc1 1P0029L7 [1,1,0,0,0,0|0,0,0]=2 3043 B10R1.17 NCCCc1ccccn1 1P001OQL [1,1,0,0,0,0|1,0,0]=3 3044 B10R1.17 NCCCc1ccccn1 1P01DW4S [1,1,0,0,0,0|1,0,0]=3 3045 B10R1.17 NCCCc1cccnc1 1P003IJD [1,1,0,0,0,0|1,0,0]=3 3046 B10R1.17 NCCCc1cccnc1 1P00G3KB [1,1,0,0,0,0|1,0,0]=3 3047 B10R1.17 NCCCc1cccnc1 1P00GW1W [1,1,0,0,0,0|1,0,0]=3 3048 B10R1.17 NCCCc1ccncc1 1P0030W7 [1,1,0,0,0,0|1,0,0]=3 3049 B10R1.17 NCCCc1ccncn1 1P028A28 [1,1,0,0,0,0|2,0,0]=4 3050 B10R1.17 NCCCc1ccnnc1 1P01DZHV [1,1,0,0,0,0|2,0,0]=4 3051 B10R1.17 NCCCc1cnccn1 1P01A20P [1,1,0,0,0,0|2,0,0]=4 3052 B10R1.17 NCCCc1cncnc1 1P0083W7 [1,1,0,0,0,0|2,0,0]=4 3053 B10R1.17 NCCCc1cncnc1 1P01C52M [1,1,0,0,0,0|2,0,0]=4 3054 B10R1.17 NCCCc1nccnc1 1P028JZE [1,1,0,0,0,0|2,0,0]=4 3055 B10R1.17 NCCNc1ccccc1 1P001X6L [1,1,0,0,0,0|0,0,0]=2 3056 B10R1.17 NCCNc1ccccn1 1P005U60 [1,1,0,0,0,0|1,0,0]=3 3057 B10R1.17 NCCNc1cccnc1 1P00EEGU [1,1,0,0,0,0|1,0,0]=3 3058 B10R1.17 NCCNc1cccnn1 1P01AAKT [1,1,0,0,0,0|2,0,0]=4 3059 B10R1.17 NCCNc1cccnn1 1P01EKLI [1,1,0,0,0,0|2,0,0]=4 3060 B10R1.17 NCCNc1ccncc1 1P00ECDE [1,1,0,0,0,0|1,0,0]=3 3061 B10R1.17 NCCNc1cnccn1 1P019MGE [1,1,0,0,0,0|2,0,0]=4 3062 B10R1.17 NCCNc1ncccn1 1P00141N [1,1,0,0,0,0|2,0,0]=4 3063 B10R1.17 NCCNc1ncccn1 1P01B2V0 [1,1,0,0,0,0|2,0,0]=4 3064 B10R1.17 NCCOc1ccccc1 1P0021OC [1,1,0,0,0,0|0,0,0]=2 3065 B10R1.17 NCCOc1ccccc1 1P0027L1 [1,1,0,0,0,0|0,0,0]=2 3066 B10R1.17 NCCOc1ccccn1 1P002YW0 [1,1,0,0,0,0|1,0,0]=3 3067 B10R1.17 NCCOc1ccccn1 1P027ZNS [1,1,0,0,0,0|1,0,0]=3 3068 B10R1.17 NCCOc1cccnc1 1P0032JP [1,1,0,0,0,0|1,0,0]=3 3069 B10R1.17 NCCOc1ccncc1 1P00DK84 [1,1,0,0,0,0|1,0,0]=3 3070 B10R1.17 NCCOc1ncccn1 1P024VFV [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.17 NCCSc1ccccc1 1P002DUS [1,1,0,0,0,0|0,0,0]=2 3072 B10R1.17 NCCSc1ccccc1 1P00J3FE [1,1,0,0,0,0|0,0,0]=2 3073 B10R1.17 NCCSc1ccccn1 1P00J1LL [1,1,0,0,0,0|1,0,0]=3 3074 B10R1.17 NCCSc1ncccn1 1P028BWD [1,1,0,0,0,0|2,0,0]=4 3075 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [1,1,0,0,0,0|0,0,1]=3 3076 B10R1.17 NNCCc1ccccc1 1P001OVR [1,1,0,0,0,0|0,0,0]=2 3077 B10R1.17 NNCCc1ccccc1 1P00B63Y [1,1,0,0,0,0|0,0,0]=2 3078 B10R1.17 NNCCc1ccccc1 1P00DB0J [1,1,0,0,0,0|0,0,0]=2 3079 B10R1.17 NNCCc1ccccc1 1P00I9LM [1,1,0,0,0,0|0,0,0]=2 3080 B10R1.17 NNCCc1ccccn1 1P006VW3 [1,1,0,0,0,0|1,0,0]=3 3081 B10R1.17 NNCCc1ccccn1 1P01A12H [1,1,0,0,0,0|1,0,0]=3 3082 B10R1.17 NNCCc1ccncc1 1P01BA79 [1,1,0,0,0,0|1,0,0]=3 3083 B10R1.17 NOCCc1ccccc1 1P0071ZN [1,1,0,0,0,0|0,0,0]=2 3084 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [1,1,0,0,0,0|1,0,1]=4 3085 B10R1.17 O=CCCc1ccccc1 1P003RFA [1,1,0,0,0,0|1,0,0]=3 3086 B10R1.17 O=CCCc1ccccn1 1P00BGWO [1,1,0,0,0,0|2,0,0]=4 3087 B10R1.17 O=CCCc1cccnc1 1P00228Y [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.17 O=CCCc1ccncc1 1P0075XB [1,1,0,0,0,0|2,0,0]=4 3089 B10R1.17 O=CCOc1ccccc1 1P007P8S [1,1,0,0,0,0|1,0,1]=4 3090 B10R1.17 O=CNCc1ccccc1 1P003T8E [1,1,0,0,0,0|1,0,1]=4 3091 B10R1.17 O=COCc1ccccc1 1P008RMC [1,1,0,0,0,0|1,0,1]=4 3092 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [1,1,0,0,0,0|1,0,1]=4 3093 B10R1.17 OCC#Cc1ccccc1 1P001N1G [1,1,0,0,0,0|1,0,1]=4 3094 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [1,1,0,0,0,0|1,0,1]=4 3095 B10R1.17 OCCCc1ccccc1 1P00170B [1,1,0,0,0,0|1,0,0]=3 3096 B10R1.17 OCCCc1ccccn1 1P002W8D [1,1,0,0,0,0|2,0,0]=4 3097 B10R1.17 OCCCc1ccccn1 1P003II3 [1,1,0,0,0,0|2,0,0]=4 3098 B10R1.17 OCCCc1cccnc1 1P002W8E [1,1,0,0,0,0|2,0,0]=4 3099 B10R1.17 OCCCc1ccncc1 1P002T2T [1,1,0,0,0,0|2,0,0]=4 3100 B10R1.17 OCCNc1ccccc1 1P00170A [1,1,0,0,0,0|1,0,0]=3 3101 B10R1.17 OCCNc1ccccn1 1P00GWAF [1,1,0,0,0,0|2,0,0]=4 3102 B10R1.17 OCCNc1ccccn1 1P01F2SN [1,1,0,0,0,0|2,0,0]=4 3103 B10R1.17 OCCNc1cccnc1 1P028RNR [1,1,0,0,0,0|2,0,0]=4 3104 B10R1.17 OCCNc1ccncc1 1P002G57 [1,1,0,0,0,0|2,0,0]=4 3105 B10R1.17 OCCOc1ccccc1 1P0033W0 [1,1,0,0,0,0|1,0,0]=3 3106 B10R1.17 OCCOc1cccnc1 1P000QDL [1,1,0,0,0,0|2,0,0]=4 3107 B10R1.17 OCCSc1ccccc1 1P003FKS [1,1,0,0,0,0|1,0,0]=3 3108 B10R1.17 OCCSc1ccccn1 1P008PC7 [1,1,0,0,0,0|2,0,0]=4 3109 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [1,1,0,0,0,0|1,0,1]=4 3110 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [1,1,0,0,0,0|1,0,1]=4 3111 B10R1.17 ONCCc1ccccc1 1P00CZ3B [1,1,0,0,0,0|0,0,0]=2 3112 B10R1.17 S=C=NCc1ccccc1 1P0034Z1 [1,1,0,0,0,0|1,0,1]=4 3113 B10R1.17 SCCCc1ccccc1 1P002PQQ [1,1,0,0,0,0|1,0,0]=3 3114 B10R1.17 SCCCc1ccncc1 1P00CEFN [1,1,0,0,0,0|2,0,0]=4 3115 B10R1.17 SCCOc1ccccc1 1P0037FU [1,1,0,0,0,0|1,0,0]=3 3116 B10R1.17 SCCSc1ccccc1 1P00ALQK [1,1,0,0,0,0|1,0,0]=3 3117 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [1,1,0,0,0,0|0,0,1]=3 3118 B10R1.17 [C-]#[N+]CSc1ccccc1 1P0281A6 [1,1,0,0,0,0|1,0,1]=4 3119 B10R1.17 [N-]=[N+]=NCc1ccccc1 1P003OKM [1,1,0,0,0,0|1,0,1]=4 3120 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [1,1,0,0,0,0|1,0,1]=4 3121 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [1,1,0,0,0,0|1,0,1]=4 3122 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [1,1,0,0,0,0|1,0,0]=3 3123 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [1,1,0,0,0,0|1,0,0]=3 3124 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [1,1,0,0,0,0|1,0,0]=3 3125 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [1,1,0,0,0,0|2,0,0]=4 3126 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [1,1,0,0,0,0|1,0,0]=3 3127 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [1,1,0,0,0,0|2,0,0]=4 3128 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [1,1,0,0,0,0|2,0,0]=4 3129 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [1,1,0,0,0,0|1,0,0]=3 3130 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [1,1,0,0,0,0|2,0,0]=4 3131 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [1,1,0,0,0,0|2,0,0]=4 3132 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [1,1,0,0,0,0|1,0,0]=3 3133 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [1,1,0,0,0,0|2,0,0]=4 3134 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [1,1,0,0,0,0|2,0,0]=4 3135 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [1,1,0,0,0,0|2,0,0]=4 3136 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [1,1,0,0,0,0|2,0,0]=4 3137 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [1,1,0,0,0,0|2,0,0]=4 3138 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [1,1,0,0,0,0|2,0,0]=4 3139 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [1,1,0,0,0,0|2,0,0]=4 3140 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [1,1,0,0,0,0|1,0,0]=3 3141 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [1,1,0,0,0,0|1,0,0]=3 3142 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [1,1,0,0,0,0|1,1,0]=4 3143 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [1,1,0,0,0,0|1,0,1]=4 3144 B10R1.18 ClC([SiH2]c1ccccc1)Cl 1P001LSR [1,1,0,0,0,0|1,1,0]=4 3145 B10R1.18 FC(Oc1ccccc1)F 1P0032NU [1,1,0,0,0,0|2,0,0]=4 3146 B10R1.18 FC(Sc1ccccc1)F 1P00B00G [1,1,0,0,0,0|2,0,0]=4 3147 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [1,1,0,0,0,0|0,0,1]=3 3148 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [1,1,0,0,0,0|1,0,1]=4 3149 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [1,1,0,0,0,0|1,0,1]=4 3150 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [1,1,0,0,0,0|1,0,1]=4 3151 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [1,1,0,0,0,0|1,0,1]=4 3152 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [1,1,0,0,0,0|1,0,1]=4 3153 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [1,1,0,0,0,0|1,0,1]=4 3154 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [1,1,0,0,0,0|1,0,1]=4 3155 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [1,1,0,0,0,0|0,0,1]=3 3156 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [1,1,0,0,0,0|1,0,1]=4 3157 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [1,1,0,0,0,0|1,0,1]=4 3158 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [1,1,0,0,0,0|1,0,1]=4 3159 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [1,1,0,0,0,0|1,0,1]=4 3160 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [1,1,0,0,0,0|1,0,1]=4 3161 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [1,1,0,0,0,0|0,0,1]=3 3162 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [1,1,0,0,0,0|1,0,1]=4 3163 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [1,1,0,0,0,0|1,0,1]=4 3164 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [1,1,0,0,0,0|1,0,0]=3 3165 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [1,1,0,0,0,0|1,0,1]=4 3167 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [1,1,0,0,0,0|2,0,0]=4 3168 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [1,1,0,0,0,0|2,0,0]=4 3169 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [1,1,0,0,0,0|2,0,0]=4 3170 B10R1.6 NCC(c1[nH]cnc1)(C)C 1P028PH3 [0,1,0,0,1,0|2,0,0]=4 3171 B10R1.6 NCC(c1ccco1)(O)C 1P019Q7F [0,1,0,0,1,0|1,0,0]=3 3172 B10R1.6 NCC(c1cccs1)(C)C 1P00D58A [0,1,0,0,1,0|1,0,0]=3 3173 B10R1.6 NCC(c1cccs1)(C)C 1P028BJ0 [0,1,0,0,1,0|1,0,0]=3 3174 B10R1.6 NCC(c1cccs1)(O)C 1P0193H9 [0,1,0,0,1,0|1,0,0]=3 3175 B10R1.6 NCC(c1cscc1)(C)C 1P028DNT [0,1,0,0,1,0|1,0,0]=3 3176 B10R1.6 NCC(c1cscc1)(O)C 1P01AKWV [0,1,0,0,1,0|1,0,0]=3 3177 B10R1.6 NCC(n1cccn1)(C)C 1P01B7H5 [0,1,0,0,1,0|2,0,0]=4 3178 B10R1.6 NCC(n1cncc1)(C)C 1P01B701 [0,1,0,0,1,0|2,0,0]=4 3179 B10R1.9 CCC(n1cccn1)CN 1P00HEE6 [0,1,0,0,1,0|2,0,0]=4 3180 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [0,1,0,0,1,0|2,0,0]=4 3181 B10R1.11 CNCC(c1cscc1)O 1P024MCV [0,1,0,0,1,0|2,0,0]=4 3182 B10R1.11 CNCC(c1nccs1)C 1P01A76F [0,1,0,0,1,0|2,0,0]=4 3183 B10R1.11 NCCC(c1c[nH]nc1)C 1P028ZK8 [0,1,0,0,1,0|2,0,0]=4 3184 B10R1.11 NCCC(c1cccs1)O 1P0193H3 [0,1,0,0,1,0|2,0,0]=4 3185 B10R1.11 OCCC(c1cscc1)C 1P01C22R [0,1,0,0,1,0|2,0,0]=4 3186 B10R1.14 CC(c1nc(cs1)C)CN 1P008VMB [0,1,0,0,1,0|2,0,0]=4 3187 B10R1.14 CC(c1ncc(s1)C)CN 1P01A7JW [0,1,0,0,1,0|2,0,0]=4 3188 B10R1.14 CC(n1cc(cn1)C)CN 1P008VWI [0,1,0,0,1,0|2,0,0]=4 3189 B10R1.14 CC(n1cc(cn1)C)CN 1P00J27K [0,1,0,0,1,0|2,0,0]=4 3190 B10R1.14 CC(n1ccc(n1)C)CN 1P00HEDB [0,1,0,0,1,0|2,0,0]=4 3191 B10R1.14 Cc1ccc(o1)C(CN)N 1P01A3GH [0,1,0,0,1,0|2,0,0]=4 3192 B10R1.14 Cc1ccc(o1)C(CN)O 1P01AKYQ [0,1,0,0,1,0|2,0,0]=4 3193 B10R1.14 NCC(c1ccc(s1)Cl)O 1P019T2T [0,1,0,0,1,0|2,0,0]=4 3194 B10R1.14 NCC(c1ccc(s1)Cl)O 1P0285BO [0,1,0,0,1,0|2,0,0]=4 3195 B10R1.14 NCC(c1cnn(c1)C)C 1P0289Q8 [0,1,0,0,1,0|2,0,0]=4 3196 B10R1.23 CC(C(n1cccn1)C)N 1P01ABZR [0,1,0,0,1,0|2,0,0]=4 3197 B10R1.149 NCC(c1cccn1C)O 1P01AL3B [0,1,0,0,1,0|2,0,0]=4 3198 B12R1.32 BrCCN(Cc1ccccc1)C 1P01BERH [0,1,0,0,0,1|2,0,0]=4 3199 B12R1.32 C=CCC(Cc1ccccc1)N 1P00COKP [0,1,0,0,0,1|2,0,0]=4 3200 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [0,1,0,0,0,1|2,0,0]=4 3201 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [0,1,0,0,0,1|1,0,1]=4 3202 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [0,1,0,0,0,1|2,0,0]=4 3203 B12R1.32 CCCC(Nc1ccccc1)C 1P019XTJ [0,1,0,0,0,1|1,0,0]=3 3204 B12R1.32 CN(Cc1ccccc1)CC#C 1P00313U [0,1,0,0,0,1|2,0,0]=4 3205 B12R1.32 CN(Cc1ccccc1)CC#C 1P00DE8W [0,1,0,0,0,1|2,0,0]=4 3206 B12R1.32 CN(Cc1ccccc1)CC#N 1P00HXAU [0,1,0,0,0,1|1,0,1]=4 3207 B12R1.32 CNCC(=Cc1ccccc1)C 1P01BE9U [0,1,0,0,0,1|0,0,1]=3 3208 B12R1.32 CNCC(=O)Nc1ccccc1 1P00EJFP [0,1,0,0,0,1|1,0,1]=4 3209 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [0,1,0,0,0,1|0,0,0]=2 3210 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [0,1,0,0,0,1|1,0,0]=3 3211 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [0,1,0,0,0,1|1,0,0]=3 3212 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [0,1,0,0,0,1|2,0,0]=4 3213 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [0,1,0,0,0,1|2,0,0]=4 3214 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [0,1,0,0,0,1|2,0,0]=4 3215 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [0,1,0,0,0,1|2,0,0]=4 3216 B12R1.32 ClCCN(Cc1ccccc1)C 1P002NY3 [0,1,0,0,0,1|2,0,0]=4 3217 B12R1.32 NC(Cc1ccccc1)CC#C 1P01BAK1 [0,1,0,0,0,1|2,0,0]=4 3218 B12R1.32 NCCC(=O)Nc1ccccc1 1P000G66 [0,1,0,0,0,1|1,0,1]=4 3219 B12R1.32 NCCC(=O)Nc1ccccc1 1P00EENY [0,1,0,0,0,1|1,0,1]=4 3220 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [0,1,0,0,0,1|0,0,0]=2 3221 B12R1.32 NCCN(Cc1ccccc1)C 1P0039QI [0,1,0,0,0,1|1,0,0]=3 3222 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [0,1,0,0,0,1|2,0,0]=4 3223 B12R1.32 NOCC(=O)Nc1ccccc1 1P027UQZ [0,1,0,0,0,1|1,0,1]=4 3224 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [0,1,0,0,0,1|2,0,0]=4 3225 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [0,1,0,0,0,1|2,0,0]=4 3226 B12R1.32 SCCN(Cc1ccccc1)C 1P01BGFN [0,1,0,0,0,1|2,0,0]=4 3227 B12R1.34 CC(C(=O)c1ccccc1)C#N 1P005W96 [0,1,0,0,0,1|0,0,2]=4 3228 B12R1.34 CCC(C(=O)c1ccccc1)Br 1P00GWZY [0,1,0,0,0,1|2,0,0]=4 3229 B12R1.34 CCC(C(=O)c1ccccc1)N 1P01EAC5 [0,1,0,0,0,1|2,0,0]=4 3230 B12R1.34 CCC(C(c1ccccc1)C)N 1P019U5I [0,1,0,0,0,1|2,0,0]=4 3231 B12R1.34 CCC(C(c1ccccc1)N)C 1P00IDOC [0,1,0,0,0,1|1,0,0]=3 3232 B12R1.34 CCC(C(c1ccccc1)O)N 1P00ENQI [0,1,0,0,0,1|2,0,0]=4 3233 B12R1.34 CCC(C(c1ccccc1)O)N 1P01AAPQ [0,1,0,0,0,1|2,0,0]=4 3234 B12R1.34 CNC(C(=C)c1ccccc1)C 1P02898U [0,1,0,0,0,1|2,0,0]=4 3235 B12R1.34 CNC(C(c1ccccc1)C)C 1P01AFP5 [0,1,0,0,0,1|2,0,0]=4 3236 B12R1.34 NCC(=O)N(c1ccccc1)C 1P000TUK [0,1,0,0,0,1|1,0,1]=4 3237 B12R1.34 NCC(=O)N(c1ccccc1)N 1P002XU7 [0,1,0,0,0,1|1,0,1]=4 3238 B12R1.34 NCC(C(c1ccccc1)C)N 1P01B969 [0,1,0,0,0,1|1,0,0]=3 3239 B12R1.34 NCC(C(c1ccccc1)C)O 1P01B7H0 [0,1,0,0,0,1|1,0,0]=3 3240 B12R1.34 NCC(N(c1ccccc1)C)C 1P00J28K [0,1,0,0,0,1|0,0,0]=2 3241 B12R1.34 NCC(N(c1ccccc1)C)C 1P019NVD [0,1,0,0,0,1|0,0,0]=2 3242 B12R1.34 OCC(C(=O)c1ccccc1)C 1P001XS0 [0,1,0,0,0,1|1,0,0]=3 3243 B12R1.34 OCC(C(c1ccccc1)C)N 1P01AHV9 [0,1,0,0,0,1|2,0,0]=4 3244 B12R1.34 OC[C@@H]([C@H](c1ccccc1)O)N 1P003BZA [0,1,0,0,0,1|2,0,0]=4 3245 B12R1.34 OC[C@H]([C@@H](c1ccccc1)O)N 1P003BX5 [0,1,0,0,0,1|2,0,0]=4 3246 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,1,0,0,0,1|1,0,1]=4 3247 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,1,0,0,0,1|1,0,1]=4 3248 B12R1.43 CC(C(=O)Cc1ccccc1)N 1P01A27E [0,1,0,0,0,1|1,0,1]=4 3249 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [0,1,0,0,0,1|1,0,1]=4 3250 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 1P001704 [0,1,0,0,0,1|1,0,1]=4 3251 B12R1.43 CC(C(=O)Nc1ccccc1)N 1P00AUNF [0,1,0,0,0,1|1,0,1]=4 3252 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [0,1,0,0,0,1|1,0,1]=4 3253 B12R1.43 CC(C(=O)O)Oc1ccccc1 1P003IBB [0,1,0,0,0,1|1,0,1]=4 3254 B12R1.43 CC(C(=O)O)Sc1ccccc1 1P002029 [0,1,0,0,0,1|1,0,1]=4 3255 B12R1.43 CC(C(C)C)Nc1ccccc1 1P00016P [0,1,0,0,0,1|1,0,0]=3 3256 B12R1.43 CC(C(N)C)Oc1ccccc1 1P01AKTG [0,1,0,0,0,1|0,0,0]=2 3257 B12R1.43 CN(C(=N)N)Cc1ccccc1 1P00J1YK [0,1,0,0,0,1|1,0,1]=4 3258 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,0,1|1,0,1]=4 3259 B12R1.43 CN(C(=S)N)Cc1ccccc1 1P00DD9B [0,1,0,0,0,1|1,0,1]=4 3260 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)N 1P028VFV [0,1,0,0,0,1|1,0,1]=4 3261 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [0,1,0,0,0,1|1,0,1]=4 3262 B12R1.43 C[C@@H](C(=O)O)Nc1ccccc1 1P001PT8 [0,1,0,0,0,1|1,0,1]=4 3263 B12R1.43 C[C@@H](C(=O)O)Oc1ccccc1 1P002FKF [0,1,0,0,0,1|1,0,1]=4 3264 B12R1.43 C[C@@H](C(=O)Oc1ccccc1)N 1P028S9M [0,1,0,0,0,1|1,0,1]=4 3265 B12R1.43 C[C@H](C(=O)Nc1ccccc1)N 1P028VMB [0,1,0,0,0,1|1,0,1]=4 3266 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [0,1,0,0,0,1|1,0,1]=4 3267 B12R1.43 C[C@H](C(=O)O)Oc1ccccc1 1P0078YZ [0,1,0,0,0,1|1,0,1]=4 3268 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,1,0,0,0,1|1,0,1]=4 3269 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,1,0,0,0,1|1,0,1]=4 3270 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,1,0,0,0,1|1,0,1]=4 3271 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,1,0,0,0,1|1,0,1]=4 3272 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,1,0,0,0,1|1,0,1]=4 3273 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [0,1,0,0,0,1|2,0,0]=4 3274 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,1,0,0,0,1|1,0,1]=4 3275 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [0,1,0,0,0,1|2,0,0]=4 3276 B12R1.43 OC(C(F)F)Cc1ccccc1 1P01DVSF [0,1,0,0,0,1|2,0,0]=4 3277 B12R1.43 OC(C(N)C)Cc1ccccc1 1P01A27Z [0,1,0,0,0,1|1,0,0]=3 3278 B12R1.49 CC(Cc1ccc(cc1)Cl)C#N 1P023PAL [0,1,0,0,0,1|0,0,2]=4 3279 B12R1.49 CCC(Cc1ccc(cc1)Br)N 1P01B75H [0,1,0,0,0,1|2,0,0]=4 3280 B12R1.49 CCC(Cc1ccc(cc1)C)N 1P00B8C1 [0,1,0,0,0,1|2,0,0]=4 3281 B12R1.49 CCC(Cc1ccc(cc1)C)O 1P019SLJ [0,1,0,0,0,1|2,0,0]=4 3282 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 1P00BESL [0,1,0,0,0,1|2,0,0]=4 3283 B12R1.49 CCC(Cc1ccc(cc1)F)N 1P00C4E1 [0,1,0,0,0,1|2,0,0]=4 3284 B12R1.49 CCC(Cc1ccc(cc1)O)N 1P01A7DK [0,1,0,0,0,1|2,0,0]=4 3285 B12R1.49 CCC(Oc1ccc(cc1)Br)C 1P019YC2 [0,1,0,0,0,1|1,0,0]=3 3286 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00EEKR [0,1,0,0,0,1|1,0,0]=3 3287 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00J278 [0,1,0,0,0,1|1,0,0]=3 3288 B12R1.49 CCC(Oc1ccc(cc1)O)C 1P0068LX [0,1,0,0,0,1|1,0,0]=3 3289 B12R1.49 CCN(Cc1ccc(cc1)N)C 1P019YRC [0,1,0,0,0,1|2,0,0]=4 3290 B12R1.49 CNC(Cc1ccc(cc1)F)C 1P01BFBZ [0,1,0,0,0,1|2,0,0]=4 3291 B12R1.49 CNC(Cc1ccc(cc1)O)C 1P01LJEU [0,1,0,0,0,1|2,0,0]=4 3292 B12R1.49 NCC(=O)Cc1ccc(cc1)Br 1P01B8A1 [0,1,0,0,0,1|1,0,1]=4 3293 B12R1.49 NCC(=O)Cc1ccc(cc1)F 1P01BFX6 [0,1,0,0,0,1|1,0,1]=4 3294 B12R1.49 NCC(=O)Nc1ccc(cc1)Br 1P019W0A [0,1,0,0,0,1|1,0,1]=4 3295 B12R1.49 NCC(=O)Nc1ccc(cc1)Cl 1P019X5Y [0,1,0,0,0,1|1,0,1]=4 3296 B12R1.49 NCC(=O)Nc1ccc(cc1)F 1P00HVKO [0,1,0,0,0,1|1,0,1]=4 3297 B12R1.49 NCC(=O)Nc1ccc(cc1)I 1P01BA3Q [0,1,0,0,0,1|1,0,1]=4 3298 B12R1.49 NCC(=O)Nc1ccc(cc1)N 1P01EKIF [0,1,0,0,0,1|1,0,1]=4 3299 B12R1.49 NCC(=O)Nc1ccc(cc1)O 1P01A82U [0,1,0,0,0,1|1,0,1]=4 3300 B12R1.49 NCC(Cc1ccc(cc1)Br)O 1P028620 [0,1,0,0,0,1|1,0,0]=3 3301 B12R1.49 NCC(Cc1ccc(cc1)C)N 1P01EKI5 [0,1,0,0,0,1|1,0,0]=3 3302 B12R1.49 NCC(Cc1ccc(cc1)C)O 1P027U4C [0,1,0,0,0,1|1,0,0]=3 3303 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P01BAQC [0,1,0,0,0,1|1,0,0]=3 3304 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P0290EV [0,1,0,0,0,1|1,0,0]=3 3305 B12R1.49 NCC(Cc1ccc(cc1)F)O 1P01BIVQ [0,1,0,0,0,1|1,0,0]=3 3306 B12R1.49 NCC(Oc1ccc(cc1)Br)C 1P00GSIM [0,1,0,0,0,1|0,0,0]=2 3307 B12R1.49 NCC(Oc1ccc(cc1)C)C 1P00EADF [0,1,0,0,0,1|0,0,0]=2 3308 B12R1.49 NCC(Oc1ccc(cc1)Cl)C 1P019T0M [0,1,0,0,0,1|0,0,0]=2 3309 B12R1.49 NCC(Oc1ccc(cc1)F)C 1P00IFSK [0,1,0,0,0,1|0,0,0]=2 3310 B12R1.49 NCC(Oc1ccc(nc1)C)C 1P01SHPB [0,1,0,0,0,1|1,0,0]=3 3311 B12R1.49 NCC(Sc1ccc(cc1)Br)C 1P01AHJN [0,1,0,0,0,1|0,0,0]=2 3312 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P00CNDM [0,1,0,0,0,1|2,0,0]=4 3313 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P01B1SU [0,1,0,0,0,1|2,0,0]=4 3314 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P00188V [0,1,0,0,0,1|2,0,0]=4 3315 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P003Q9R [0,1,0,0,0,1|2,0,0]=4 3316 B12R1.49 OCC(Cc1ccc(cc1)F)C 1P01ADFP [0,1,0,0,0,1|1,0,0]=3 3317 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01A498 [0,1,0,0,0,1|2,0,0]=4 3318 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01BDZN [0,1,0,0,0,1|2,0,0]=4 3319 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P00I37R [0,1,0,0,0,1|2,0,0]=4 3320 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P01BI09 [0,1,0,0,0,1|2,0,0]=4 3321 B12R1.49 OCC(Cc1ccc(cc1)N)F 1P028X6K [0,1,0,0,0,1|2,0,0]=4 3322 B12R1.49 OCC(Cc1ccc(cc1)O)N 1P01B4HI [0,1,0,0,0,1|2,0,0]=4 3323 B12R1.49 OC[C@@H](Cc1ccc(cc1)Cl)N 1P00BJSP [0,1,0,0,0,1|2,0,0]=4 3324 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P00CND0 [0,1,0,0,0,1|2,0,0]=4 3325 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P01DE71 [0,1,0,0,0,1|2,0,0]=4 3326 B12R1.49 OC[C@@H](Cc1ccc(cc1)O)N 1P003QD1 [0,1,0,0,0,1|2,0,0]=4 3327 B12R1.49 OC[C@@H](Nc1ccc(cn1)Br)C 1P01BCDT [0,1,0,0,0,1|2,0,0]=4 3328 B12R1.49 OC[C@@H](Oc1ccc(cc1)Cl)C 1P004KL8 [0,1,0,0,0,1|1,0,0]=3 3329 B12R1.49 OC[C@H](Cc1ccc(cc1)Br)N 1P01JM4D [0,1,0,0,0,1|2,0,0]=4 3330 B12R1.49 OC[C@H](Cc1ccc(cc1)C)N 1P01JM2C [0,1,0,0,0,1|2,0,0]=4 3331 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P0028CV [0,1,0,0,0,1|2,0,0]=4 3332 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P019GEA [0,1,0,0,0,1|2,0,0]=4 3333 B12R1.49 OC[C@H](Cc1ccc(cc1)F)N 1P002D3T [0,1,0,0,0,1|2,0,0]=4 3334 B12R1.49 OC[C@H](Cc1ccc(cc1)N)N 1P00FI1E [0,1,0,0,0,1|2,0,0]=4 3335 B12R1.49 OC[C@H](Cc1ccc(cc1)O)N 1P0035KS [0,1,0,0,0,1|2,0,0]=4 3336 B12R1.50 CC(Oc1cccc(n1)N)CC 1P01BTYX [0,1,0,0,0,1|2,0,0]=4 3337 B12R1.50 CCC(Oc1cccc(c1)N)C 1P00FA91 [0,1,0,0,0,1|1,0,0]=3 3338 B12R1.50 CCC(Oc1cccc(c1)N)C 1P01AMF2 [0,1,0,0,0,1|1,0,0]=3 3339 B12R1.50 NCC(=O)Cc1cccc(c1)Br 1P01B8AI [0,1,0,0,0,1|1,0,1]=4 3340 B12R1.50 NCC(=O)Nc1cccc(c1)Br 1P01A5IJ [0,1,0,0,0,1|1,0,1]=4 3341 B12R1.50 NCC(=O)Nc1cccc(c1)Cl 1P018Z4J [0,1,0,0,0,1|1,0,1]=4 3342 B12R1.50 NCC(=O)Nc1cccc(c1)F 1P01A8MK [0,1,0,0,0,1|1,0,1]=4 3343 B12R1.50 NCC(Cc1cccc(c1)Br)O 1P0285C3 [0,1,0,0,0,1|1,0,0]=3 3344 B12R1.50 NCC(Cc1cccc(c1)C)O 1P01BK54 [0,1,0,0,0,1|1,0,0]=3 3345 B12R1.50 NCC(Cc1cccc(c1)Cl)O 1P01BAEN [0,1,0,0,0,1|1,0,0]=3 3346 B12R1.50 NCC(Cc1cccc(c1)F)O 1P01AMEE [0,1,0,0,0,1|1,0,0]=3 3347 B12R1.50 NCC(Cc1cccc(c1)O)O 1P028VA8 [0,1,0,0,0,1|1,0,0]=3 3348 B12R1.50 NCC(Oc1cccc(c1)Br)C 1P019SWM [0,1,0,0,0,1|0,0,0]=2 3349 B12R1.50 NCC(Oc1cccc(c1)C)C 1P019SIE [0,1,0,0,0,1|0,0,0]=2 3350 B12R1.50 NCC(Oc1cccc(c1)Cl)C 1P019SLO [0,1,0,0,0,1|0,0,0]=2 3351 B12R1.50 NCC(Oc1cccc(c1)F)C 1P019SMA [0,1,0,0,0,1|0,0,0]=2 3352 B12R1.50 OCC(Cc1cccc(c1)Br)N 1P01JKRR [0,1,0,0,0,1|2,0,0]=4 3353 B12R1.50 OCC(Cc1cccc(c1)C)N 1P00CNDL [0,1,0,0,0,1|2,0,0]=4 3354 B12R1.50 OCC(Cc1cccc(c1)C)N 1P01B1TC [0,1,0,0,0,1|2,0,0]=4 3355 B12R1.50 OCC(Cc1cccc(c1)Cl)N 1P00CM2L [0,1,0,0,0,1|2,0,0]=4 3356 B12R1.50 OCC(Cc1cccc(c1)F)N 1P00CMWB [0,1,0,0,0,1|2,0,0]=4 3357 B12R1.50 OCC(Cc1cccc(c1)N)F 1P0283J3 [0,1,0,0,0,1|2,0,0]=4 3358 B12R1.50 OC[C@@H](Cc1cccc(c1)F)N 1P00GAOU [0,1,0,0,0,1|2,0,0]=4 3359 B12R1.50 OC[C@H](Cc1cccc(c1)F)N 1P01JKYV [0,1,0,0,0,1|2,0,0]=4 3360 B12R1.118 BrCC(Cc1ccccc1)OC 1P000H3A [0,1,0,0,0,1|1,0,0]=3 3361 B12R1.118 CCC(=Cc1ccccc1)CC 1P01AUY6 [0,1,0,0,0,1|1,0,1]=4 3362 B12R1.118 CCC(Cc1ccccc1)NC 1P00G3TS [0,1,0,0,0,1|1,0,0]=3 3363 B12R1.118 CCC(Cc1ccccc1)NC 1P00GPY7 [0,1,0,0,0,1|1,0,0]=3 3364 B12R1.118 CCC(Nc1ccccc1)CO 1P01A9VK [0,1,0,0,0,1|1,0,0]=3 3365 B12R1.118 CCC(Oc1ccccc1)C#N 1P02877L [0,1,0,0,0,1|0,0,2]=4 3366 B12R1.118 CCC(Oc1ccccc1)CN 1P01AI3J [0,1,0,0,0,1|0,0,0]=2 3367 B12R1.118 CCC(Oc1ccccc1)CN 1P028YBU [0,1,0,0,0,1|0,0,0]=2 3368 B12R1.118 CCC(Sc1ccccc1)C#N 1P01EK8N [0,1,0,0,0,1|0,0,2]=4 3369 B12R1.118 CCN(Cc1ccccc1)CC 1P0035RS [0,1,0,0,0,1|2,0,0]=4 3370 B12R1.118 COC(Cc1ccccc1)C#N 1P01ANVY [0,1,0,0,0,1|0,0,2]=4 3371 B12R1.118 COC(Cc1ccccc1)C=O 1P01AV5H [0,1,0,0,0,1|1,0,1]=4 3372 B12R1.118 COC(Cc1ccccc1)OC 1P0003VY [0,1,0,0,0,1|2,0,0]=4 3373 B12R1.118 COC([SiH2]c1ccccc1)OC 1P002ZVS [0,1,0,0,0,1|2,0,0]=4 3374 B12R1.118 NCC(Cc1ccccc1)CO 1P00FICE [0,1,0,0,0,1|0,0,0]=2 3375 B12R1.118 NCC(Cc1ccccc1)CO 1P028WXN [0,1,0,0,0,1|0,0,0]=2 3376 B12R1.118 NCC(Cc1ccccc1)CS 1P028YTH [0,1,0,0,0,1|0,0,0]=2 3377 B12R1.118 NCC(Cc1ccccc1)NC 1P01A6YF [0,1,0,0,0,1|0,0,0]=2 3378 B12R1.118 NCC(Cc1ccccc1)OC 1P00H2E2 [0,1,0,0,0,1|0,0,0]=2 3379 B12R1.118 NCC(Cc1ccccc1)OC 1P028CXK [0,1,0,0,0,1|0,0,0]=2 3380 B12R1.118 NCC(Cc1ccccn1)CO 1P019YSA [0,1,0,0,0,1|1,0,0]=3 3381 B12R1.118 NCC(Cc1cccnc1)CO 1P01BEA8 [0,1,0,0,0,1|1,0,0]=3 3382 B12R1.118 NCC(Cc1cccnc1)CO 1P01BEB7 [0,1,0,0,0,1|1,0,0]=3 3383 B12R1.118 NCC(Cc1ccncc1)CO 1P01BHDV [0,1,0,0,0,1|1,0,0]=3 3384 B12R1.118 NNC(=NC)Nc1ccccc1 1P01A50F [0,1,0,0,0,1|1,0,1]=4 3385 B12R1.118 OCC(Cc1ccccc1)C#N 1P00I5F3 [0,1,0,0,0,1|0,0,2]=4 3386 B12R1.118 OCC(Cc1ccccc1)CO 1P002S8P [0,1,0,0,0,1|1,0,0]=3 3387 B12R1.118 OCC(Cc1ccccc1)NC 1P00GTMT [0,1,0,0,0,1|1,0,0]=3 3388 B12R1.118 OCC(Cc1ccccc1)OC 1P01AUXJ [0,1,0,0,0,1|1,0,0]=3 3389 B12R1.118 OC[C@H](Cc1ccccc1)NC 1P004YA0 [0,1,0,0,0,1|1,0,0]=3 3390 B12R1.194 C#CC(Cc1ccccc1)(O)C 1P01B65V [0,1,0,0,0,1|1,0,1]=4 3391 B12R1.194 CCC(Cc1ccccc1)(O)C 1P003I26 [0,1,0,0,0,1|1,0,0]=3 3392 B12R1.194 N#CC(Cc1ccccc1)(C)C 1P00I7KH [0,1,0,0,0,1|0,0,2]=4 3393 B12R1.194 N#CC(Nc1ccccc1)(C)C 1P007PJS [0,1,0,0,0,1|0,0,2]=4 3394 B12R1.194 NCC(Cc1ccccc1)(C)C 1P01AJMU [0,1,0,0,0,1|0,0,0]=2 3395 B12R1.194 NCC(Oc1ccccc1)(C)C 1P00CHMB [0,1,0,0,0,1|0,0,0]=2 3396 B12R1.194 NCC(Oc1ccccc1)(C)C 1P01AI80 [0,1,0,0,0,1|0,0,0]=2 3397 B12R1.194 NCC(Oc1ccccc1)(F)F 1P028SC5 [0,1,0,0,0,1|1,0,0]=3 3398 B12R1.194 O=CC(Cc1ccccc1)(C)C 1P0003L9 [0,1,0,0,0,1|1,0,1]=4 3399 B12R1.194 O=CC(Oc1ccccc1)(C)C 1P01AV4D [0,1,0,0,0,1|1,0,1]=4 3400 B12R1.194 OCC(Cc1ccccc1)(N)C 1P027X9I [0,1,0,0,0,1|1,0,0]=3 3401 B12R1.194 OCC(Cc1ccccn1)(N)C 1P028CIU [0,1,0,0,0,1|2,0,0]=4 3402 B12R1.194 OCC(Oc1ccccc1)(C)C 1P01IG92 [0,1,0,0,0,1|1,0,0]=3 3403 B12R1.371 CCC(Cc1ccccc1Br)N 1P01A0A9 [0,1,0,0,0,1|2,0,0]=4 3404 B12R1.371 CCC(Oc1ccccc1N)C 1P00DDQ2 [0,1,0,0,0,1|1,0,0]=3 3405 B12R1.371 CNC(Cc1ccccc1C)C 1P01BFBU [0,1,0,0,0,1|2,0,0]=4 3406 B12R1.371 CNC(Cc1ccccc1F)C 1P00AQR6 [0,1,0,0,0,1|2,0,0]=4 3407 B12R1.371 N#CC(Oc1ccccc1N)C 1P01A2IO [0,1,0,0,0,1|0,0,2]=4 3408 B12R1.371 NCC(=O)Nc1ccccc1Br 1P00HAUJ [0,1,0,0,0,1|1,0,1]=4 3409 B12R1.371 NCC(=O)Nc1ccccc1C 1P00J46J [0,1,0,0,0,1|1,0,1]=4 3410 B12R1.371 NCC(=O)Nc1ccccc1F 1P0289BO [0,1,0,0,0,1|1,0,1]=4 3411 B12R1.371 NCC(Cc1ccccc1Br)O 1P027N7B [0,1,0,0,0,1|1,0,0]=3 3412 B12R1.371 NCC(Cc1ccccc1C)O 1P01AM13 [0,1,0,0,0,1|1,0,0]=3 3413 B12R1.371 NCC(Oc1ccccc1Br)C 1P019UHV [0,1,0,0,0,1|0,0,0]=2 3414 B12R1.371 NCC(Oc1ccccc1C)C 1P019SMY [0,1,0,0,0,1|0,0,0]=2 3415 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00GSHM [0,1,0,0,0,1|0,0,0]=2 3416 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00HA82 [0,1,0,0,0,1|0,0,0]=2 3417 B12R1.371 NCC(Oc1ccccc1F)C 1P019SP8 [0,1,0,0,0,1|0,0,0]=2 3418 B12R1.371 OCC(Cc1ccccc1Br)N 1P01JKRL [0,1,0,0,0,1|2,0,0]=4 3419 B12R1.371 OCC(Cc1ccccc1C)N 1P00CNDK [0,1,0,0,0,1|2,0,0]=4 3420 B12R1.371 OCC(Cc1ccccc1Cl)N 1P00CM2K [0,1,0,0,0,1|2,0,0]=4 3421 B12R1.371 OCC(Cc1ccccc1Cl)N 1P028B27 [0,1,0,0,0,1|2,0,0]=4 3422 B12R1.371 OCC(Cc1ccccc1F)N 1P002022 [0,1,0,0,0,1|2,0,0]=4 3423 B12R1.371 OC[C@H](Cc1ccccc1C)N 1P01JM47 [0,1,0,0,0,1|2,0,0]=4 3424 B12R1.371 OC[C@H](Cc1ccccc1Cl)N 1P0096P7 [0,1,0,0,0,1|2,0,0]=4 3425 B12R1.371 OC[C@H](Cc1ccccc1F)N 1P00ASQ3 [0,1,0,0,0,1|2,0,0]=4 3426 B12R1.9 BrCC(c1ccc(cc1)Br)(F)F 1P00DIZC [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.9 BrCC(c1ccc(cc1)F)(F)F 1P01BJIC [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.9 C#CC(c1ccc(cc1)Cl)(C)C 1P024ULH [0,2,0,0,0,0|1,0,1]=4 3429 B12R1.9 C#CC(c1ccc(cc1)O)(C)C 1P028XDX [0,2,0,0,0,0|1,0,1]=4 3430 B12R1.9 CCC(c1ccc(cc1)Br)(F)F 1P00ATR9 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.9 CCC(c1ccc(cc1)Cl)(N)C 1P021LBO [0,2,0,0,0,0|1,0,0]=3 3432 B12R1.9 CCC(c1ccc(cc1)Cl)(O)C 1P01AHFF [0,2,0,0,0,0|1,0,0]=3 3433 B12R1.9 CCC(c1ccc(cc1)F)(N)C 1P01C0RC [0,2,0,0,0,0|1,0,0]=3 3434 B12R1.9 CCC(c1ccc(cc1)N)(C)C 1P002A7M [0,2,0,0,0,0|1,0,0]=3 3435 B12R1.9 CCC(c1ccc(cc1)O)(C)C 1P003MHW [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.9 COC(c1ccc(cc1)Br)(C)C 1P000PK9 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.9 FCC(c1ccc(cc1)Br)(F)F 1P0282RV [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.9 FCC(c1ccc(cc1)N)(F)F 1P01FK61 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.9 N#CC(c1ccc(cc1)Br)(C)C 1P0004CY [0,2,0,0,0,0|0,0,2]=4 3440 B12R1.9 N#CC(c1ccc(cc1)C)(C)C 1P00C6V9 [0,2,0,0,0,0|0,0,2]=4 3441 B12R1.9 N#CC(c1ccc(cc1)Cl)(C)C 1P00310S [0,2,0,0,0,0|0,0,2]=4 3442 B12R1.9 N#CC(c1ccc(cc1)F)(C)C 1P00H2VJ [0,2,0,0,0,0|0,0,2]=4 3443 B12R1.9 N#CC(c1ccc(cc1)N)(C)C 1P000H0H [0,2,0,0,0,0|0,0,2]=4 3444 B12R1.9 N#CC(c1ccc(cc1)N)(C)C 1P01AK7Q [0,2,0,0,0,0|0,0,2]=4 3445 B12R1.9 N#CC(c1ccc(cc1)O)(C)C 1P00DKKN [0,2,0,0,0,0|0,0,2]=4 3446 B12R1.9 NCC(c1ccc(cc1)Br)(C)C 1P019USN [0,2,0,0,0,0|0,0,0]=2 3447 B12R1.9 NCC(c1ccc(cc1)Br)(F)F 1P01B784 [0,2,0,0,0,0|1,0,0]=3 3448 B12R1.9 NCC(c1ccc(cc1)Br)(O)C 1P00KGYI [0,2,0,0,0,0|0,0,0]=2 3449 B12R1.9 NCC(c1ccc(cc1)C)(C)C 1P00GCI9 [0,2,0,0,0,0|0,0,0]=2 3450 B12R1.9 NCC(c1ccc(cc1)Cl)(C)C 1P0094RI [0,2,0,0,0,0|0,0,0]=2 3451 B12R1.9 NCC(c1ccc(cc1)Cl)(C)C 1P00PGWQ [0,2,0,0,0,0|0,0,0]=2 3452 B12R1.9 NCC(c1ccc(cc1)Cl)(F)F 1P01BA5B [0,2,0,0,0,0|1,0,0]=3 3453 B12R1.9 NCC(c1ccc(cc1)Cl)(O)C 1P005CQ3 [0,2,0,0,0,0|0,0,0]=2 3454 B12R1.9 NCC(c1ccc(cc1)Cl)(O)C 1P007ZG0 [0,2,0,0,0,0|0,0,0]=2 3455 B12R1.9 NCC(c1ccc(cc1)F)(C)C 1P00BYZ1 [0,2,0,0,0,0|0,0,0]=2 3456 B12R1.9 NCC(c1ccc(cc1)F)(F)F 1P019S0X [0,2,0,0,0,0|1,0,0]=3 3457 B12R1.9 NCC(c1ccc(cc1)F)(O)C 1P00VT0T [0,2,0,0,0,0|0,0,0]=2 3458 B12R1.9 NCC(c1ccc(cc1)O)(C)C 1P028E3X [0,2,0,0,0,0|0,0,0]=2 3459 B12R1.9 NCC(c1ccc(cn1)Br)(C)C 1P028PIS [0,2,0,0,0,0|1,0,0]=3 3460 B12R1.9 NCC(c1ccc(cn1)C)(C)C 1P00H0M3 [0,2,0,0,0,0|1,0,0]=3 3461 B12R1.9 NCC(c1ccc(cn1)F)(C)C 1P001CN9 [0,2,0,0,0,0|1,0,0]=3 3462 B12R1.9 NCC(c1ccc(cn1)F)(F)F 1P028WIS [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.9 O=CC(c1ccc(cc1)Br)(C)C 1P00C78R [0,2,0,0,0,0|1,0,1]=4 3464 B12R1.9 O=CC(c1ccc(cc1)C)(C)C 1P028HKO [0,2,0,0,0,0|1,0,1]=4 3465 B12R1.9 OCC(c1ccc(cc1)Br)(C)C 1P00C75H [0,2,0,0,0,0|1,0,0]=3 3466 B12R1.9 OCC(c1ccc(cc1)Br)(F)F 1P01KX64 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.9 OCC(c1ccc(cc1)Br)(N)C 1P01BAVN [0,2,0,0,0,0|1,0,0]=3 3468 B12R1.9 OCC(c1ccc(cc1)Br)(O)C 1P01BF1O [0,2,0,0,0,0|1,0,0]=3 3469 B12R1.9 OCC(c1ccc(cc1)C)(C)C 1P01FDAK [0,2,0,0,0,0|1,0,0]=3 3470 B12R1.9 OCC(c1ccc(cc1)Cl)(C)C 1P003FCF [0,2,0,0,0,0|1,0,0]=3 3471 B12R1.9 OCC(c1ccc(cc1)Cl)(F)F 1P01O09E [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.9 OCC(c1ccc(cc1)F)(F)F 1P00GAKL [0,2,0,0,0,0|2,0,0]=4 3473 B12R1.9 OCC(c1ccc(cc1)N)(C)C 1P00AQZE [0,2,0,0,0,0|1,0,0]=3 3474 B12R1.9 OCC(c1ccc(cc1)N)(C)C 1P028AMG [0,2,0,0,0,0|1,0,0]=3 3475 B12R1.9 OCC(c1ccc(cc1)O)(N)C 1P01BC76 [0,2,0,0,0,0|1,0,0]=3 3476 B12R1.9 OCC(c1ccc(nc1)Cl)(C)C 1P01DW9K [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.10 CCC(c1cccc(c1)Cl)(N)C 1P01JMG0 [0,2,0,0,0,0|1,0,0]=3 3478 B12R1.10 CCC(c1cccc(n1)C)(N)C 1P028BJ1 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.10 CCC(c1cccc(n1)C)(O)C 1P028DMS [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.10 CC[N+](c1cccc(c1)O)(C)C 1P000BTG [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.10 CNC(c1cccc(c1)Cl)(C)C 1P028YWT [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.10 CNC(c1cccc(c1)Cl)(C)C 1P028ZYT [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.10 FCC(c1cccc(c1)Br)(C)C 1P02907A [0,2,0,0,0,0|1,0,0]=3 3484 B12R1.10 FCC(c1cccc(c1)N)(F)F 1P01FK7W [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.10 N#CC(c1cccc(c1)Br)(C)C 1P006EG7 [0,2,0,0,0,0|0,0,2]=4 3486 B12R1.10 N#CC(c1cccc(c1)Cl)(C)C 1P01FNL4 [0,2,0,0,0,0|0,0,2]=4 3487 B12R1.10 N#CC(c1cccc(c1)F)(C)C 1P01AKGS [0,2,0,0,0,0|0,0,2]=4 3488 B12R1.10 N#CC(c1cccc(c1)N)(C)C 1P0069NK [0,2,0,0,0,0|0,0,2]=4 3489 B12R1.10 NCC(c1[nH]ccc(=O)c1)(C)C 1P0284MD [0,2,0,0,0,0|1,0,0]=3 3490 B12R1.10 NCC(c1cc[nH]c(=O)c1)(C)C 1P0284P0 [0,2,0,0,0,0|1,0,0]=3 3491 B12R1.10 NCC(c1cccc(=O)[nH]1)(C)C 1P02828G [0,2,0,0,0,0|1,0,0]=3 3492 B12R1.10 NCC(c1cccc(=O)[nH]1)(C)C 1P0286NZ [0,2,0,0,0,0|1,0,0]=3 3493 B12R1.10 NCC(c1cccc(c1)Br)(C)C 1P01A9QP [0,2,0,0,0,0|0,0,0]=2 3494 B12R1.10 NCC(c1cccc(c1)Br)(F)F 1P0283WY [0,2,0,0,0,0|1,0,0]=3 3495 B12R1.10 NCC(c1cccc(c1)C)(C)C 1P01A84U [0,2,0,0,0,0|0,0,0]=2 3496 B12R1.10 NCC(c1cccc(c1)C)(F)F 1P001BAC [0,2,0,0,0,0|1,0,0]=3 3497 B12R1.10 NCC(c1cccc(c1)C)(F)F 1P01BA9Y [0,2,0,0,0,0|1,0,0]=3 3498 B12R1.10 NCC(c1cccc(c1)Cl)(C)C 1P00VSPB [0,2,0,0,0,0|0,0,0]=2 3499 B12R1.10 NCC(c1cccc(c1)Cl)(O)C 1P01ACHH [0,2,0,0,0,0|0,0,0]=2 3500 B12R1.10 NCC(c1cccc(c1)F)(C)C 1P01AJYG [0,2,0,0,0,0|0,0,0]=2 3501 B12R1.10 NCC(c1cccc(c1)F)(F)F 1P01B5HA [0,2,0,0,0,0|1,0,0]=3 3502 B12R1.10 NCC(c1cccc(n1)Cl)(C)C 1P028TW0 [0,2,0,0,0,0|1,0,0]=3 3503 B12R1.10 NCC(c1cccc(n1)F)(C)C 1P028D11 [0,2,0,0,0,0|1,0,0]=3 3504 B12R1.10 NCC(c1cncc(c1)F)(C)C 1P028X0V [0,2,0,0,0,0|1,0,0]=3 3505 B12R1.10 NCC(c1nccc(c1)C)(C)C 1P01FA83 [0,2,0,0,0,0|1,0,0]=3 3506 B12R1.10 OCC(c1cccc(c1)Br)(N)C 1P01EMVY [0,2,0,0,0,0|1,0,0]=3 3507 B12R1.10 OCC(c1cccc(c1)Cl)(N)C 1P023P97 [0,2,0,0,0,0|1,0,0]=3 3508 B12R1.10 OCC(c1cccc(c1)N)(C)C 1P0280WQ [0,2,0,0,0,0|1,0,0]=3 3509 B12R1.10 OCC(c1cccc(c1)O)(N)C 1P01BC5K [0,2,0,0,0,0|1,0,0]=3 3510 B12R1.10 OCC(c1cccc(n1)Cl)(C)C 1P027YVM [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.39 C#CCC(c1ccccn1)(O)C 1P01DFJH [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.39 C#CCC(c1cccnc1)(O)C 1P00IG2O [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.39 C=CCC(c1ccccc1)(O)C 1P003IBR [0,2,0,0,0,0|1,0,0]=3 3514 B12R1.39 CCCC(c1ccccc1)(N)C 1P01BKU1 [0,2,0,0,0,0|1,0,0]=3 3515 B12R1.39 CNCC(c1ccccc1)(C)C 1P00VUKI [0,2,0,0,0,0|0,0,0]=2 3516 B12R1.39 CNCC(c1ccccc1)(F)C 1P028A3P [0,2,0,0,0,0|0,0,0]=2 3517 B12R1.39 CNCC(c1ccccc1)(F)F 1P027WS0 [0,2,0,0,0,0|1,0,0]=3 3518 B12R1.39 CNCC(c1ccccc1)(O)C 1P01C4EI [0,2,0,0,0,0|0,0,0]=2 3519 B12R1.39 COCC(c1ccccc1)(N)C 1P019UHP [0,2,0,0,0,0|1,0,0]=3 3520 B12R1.39 COCC(c1ccccc1)(O)C 1P019UE4 [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.39 N#CCC(c1ccccn1)(C)C 1P028MRW [0,2,0,0,0,0|1,0,1]=4 3522 B12R1.39 NCCC(c1ccccc1)(C)C 1P019XQA [0,2,0,0,0,0|0,0,0]=2 3523 B12R1.39 NCCC(c1ccccc1)(O)C 1P01AGFB [0,2,0,0,0,0|0,0,0]=2 3524 B12R1.39 NCCS(=O)(=N)c1ccccc1 1P0281WY [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.39 NCCS(=O)(=O)c1ccccc1 1P00I85C [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.39 NCCS(=O)(=O)c1ccccc1 1P019V3C [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.39 O=CCC(c1ccccc1)(C)C 1P00EL0L [0,2,0,0,0,0|1,0,0]=3 3528 B12R1.39 OCCC(c1ccccc1)(C)C 1P018SJM [0,2,0,0,0,0|1,0,0]=3 3529 B12R1.195 C#CC(c1ccccc1Br)(O)C 1P01BFB7 [0,2,0,0,0,0|1,0,1]=4 3530 B12R1.195 CCC(c1ccccc1N)(F)F 1P01BSLV [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.195 CCC(c1ccccc1O)(C)C 1P003F5F [0,2,0,0,0,0|1,0,0]=3 3532 B12R1.195 N#CC(c1ccccc1Br)(C)C 1P00EL1R [0,2,0,0,0,0|0,0,2]=4 3533 B12R1.195 N#CC(c1ccccc1Cl)(C)C 1P00FH3R [0,2,0,0,0,0|0,0,2]=4 3534 B12R1.195 N#CC(c1ccccc1N)(C)C 1P000WOZ [0,2,0,0,0,0|0,0,2]=4 3535 B12R1.195 N#CC(c1ccccc1O)(C)C 1P01SJ5K [0,2,0,0,0,0|0,0,2]=4 3536 B12R1.195 NCC(c1ccccc1Br)(C)C 1P01A1ZW [0,2,0,0,0,0|0,0,0]=2 3537 B12R1.195 NCC(c1ccccc1Br)(F)F 1P02842S [0,2,0,0,0,0|1,0,0]=3 3538 B12R1.195 NCC(c1ccccc1Br)(O)C 1P01B8B2 [0,2,0,0,0,0|0,0,0]=2 3539 B12R1.195 NCC(c1ccccc1C)(C)C 1P01A88H [0,2,0,0,0,0|0,0,0]=2 3540 B12R1.195 NCC(c1ccccc1C)(F)F 1P01B5O7 [0,2,0,0,0,0|1,0,0]=3 3541 B12R1.195 NCC(c1ccccc1Cl)(C)C 1P01AASP [0,2,0,0,0,0|0,0,0]=2 3542 B12R1.195 NCC(c1ccccc1Cl)(N)C 1P01ZZHO [0,2,0,0,0,0|0,0,0]=2 3543 B12R1.195 NCC(c1ccccc1Cl)(O)C 1P01ACH8 [0,2,0,0,0,0|0,0,0]=2 3544 B12R1.195 NCC(c1ccccc1F)(C)C 1P00VT1V [0,2,0,0,0,0|0,0,0]=2 3545 B12R1.195 NCC(c1ccccc1F)(F)F 1P028AA4 [0,2,0,0,0,0|1,0,0]=3 3546 B12R1.195 NCC(c1ccncc1F)(C)C 1P0287V7 [0,2,0,0,0,0|1,0,0]=3 3547 B12R1.195 NCC(c1ncccc1C)(C)C 1P01BBG1 [0,2,0,0,0,0|1,0,0]=3 3548 B12R1.195 NCC(c1ncccc1Cl)(C)C 1P028U48 [0,2,0,0,0,0|1,0,0]=3 3549 B12R1.195 NCC(c1ncccc1F)(C)C 1P01FABB [0,2,0,0,0,0|1,0,0]=3 3550 B12R1.195 OCC(c1ccccc1Cl)(C)C 1P0093F6 [0,2,0,0,0,0|1,0,0]=3 3551 B12R1.195 OCC(c1ccccc1Cl)(F)F 1P01SLJ8 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.195 OCC(c1ccccc1Cl)(N)C 1P028VXV [0,2,0,0,0,0|1,0,0]=3 3553 B12R1.195 OCC(c1ccccc1F)(F)F 1P0018AU [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.195 OCC(c1ccccc1F)(N)C 1P01XCRB [0,2,0,0,0,0|1,0,0]=3 3555 B12R1.253 CC(=O)C(c1ccccc1)(C)C 1P0056UC [0,2,0,0,0,0|1,0,1]=4 3556 B12R1.253 CC(=O)C(c1ccccc1)(N)C 1P028J81 [0,2,0,0,0,0|1,0,1]=4 3557 B12R1.253 CC(C(c1ccccc1)(C)C)N 1P00DOAO [0,2,0,0,0,0|0,0,0]=2 3558 B12R1.253 CC(C(c1ccccc1)(F)F)N 1P01C0WR [0,2,0,0,0,0|1,0,0]=3 3559 B12R1.253 C[C@H]([C@](c1ccccc1)(O)C)N 1P01PPQY [0,2,0,0,0,0|0,0,0]=2 3560 B12R1.253 ClC(=O)C(c1ccccc1)(C)C 1P01A966 [0,2,0,0,0,0|1,0,1]=4 3561 B12R1.253 FC(C(c1ccncc1)(O)C)F 1P01BHGZ [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.253 NC(=N)C(c1ccccc1)(O)C 1P01ADJ8 [0,2,0,0,0,0|0,0,1]=3 3563 B12R1.253 NC(=O)C(c1ccccc1)(C)C 1P005CUN [0,2,0,0,0,0|0,0,1]=3 3564 B12R1.253 NC(=O)C(c1ccccc1)(F)F 1P007AJ3 [0,2,0,0,0,0|1,0,1]=4 3565 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A0G7 [0,2,0,0,0,0|0,0,1]=3 3566 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A8W6 [0,2,0,0,0,0|0,0,1]=3 3567 B12R1.253 NC(=S)C(c1ccccc1)(C)C 1P01A4KU [0,2,0,0,0,0|0,0,1]=3 3568 B12R1.253 OC(=O)C(c1ccccc1)(C)C 1P003I2S [0,2,0,0,0,0|1,0,1]=4 3569 B12R1.253 OC(=O)C(c1ccccc1)(F)C 1P0284YH [0,2,0,0,0,0|1,0,1]=4 3570 B12R1.253 OC(=O)C(c1ccccc1)(N)C 1P00ICQ5 [0,2,0,0,0,0|1,0,1]=4 3571 B12R1.253 OC(=O)C(c1ccccc1)(O)C 1P003F8P [0,2,0,0,0,0|1,0,1]=4 3572 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00BLP9 [0,2,0,0,0,0|1,0,1]=4 3573 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00I5JO [0,2,0,0,0,0|1,0,1]=4 3574 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P00HTKU [0,2,0,0,0,0|1,0,1]=4 3575 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P01C1M0 [0,2,0,0,0,0|1,0,1]=4 3576 B12R1.475 BrCC(c1ccccc1)(OC)C 1P01APHJ [0,2,0,0,0,0|1,0,0]=3 3577 B12R1.475 CCC(c1ccccc1)(CC)N 1P007WUR [0,2,0,0,0,0|1,0,0]=3 3578 B12R1.475 CCC(c1ccccc1)(CN)O 1P0193JP [0,2,0,0,0,0|0,0,0]=2 3579 B12R1.475 CCC(c1ccccc1)(CO)N 1P01AGZX [0,2,0,0,0,0|1,0,0]=3 3580 B12R1.475 CCC(c1ccccn1)(CN)C 1P028BCF [0,2,0,0,0,0|1,0,0]=3 3581 B12R1.475 CCC(c1ccncc1)(CN)C 1P028ADL [0,2,0,0,0,0|1,0,0]=3 3582 B12R1.475 CCC(c1cnccn1)(CN)C 1P0284VN [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.475 COC(c1ccccc1)(OC)C 1P003BV9 [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.475 NCC(c1ccccc1)(CO)C 1P01BBIV [0,2,0,0,0,0|0,0,0]=2 3585 B12R1.475 NCC(c1ccccc1)(CO)C 1P028UNW [0,2,0,0,0,0|0,0,0]=2 3586 B12R1.475 NCC(c1ccccc1)(CO)F 1P01FI9Y [0,2,0,0,0,0|0,0,0]=2 3587 B12R1.475 NCC(c1ccccc1)(OC)C 1P01AVCM [0,2,0,0,0,0|0,0,0]=2 3588 B12R1.475 OCC(c1ccccc1)(CO)C 1P002PTX [0,2,0,0,0,0|1,0,0]=3 3589 B12R1.475 OCC(c1ccccc1)(CO)F 1P01C34N [0,2,0,0,0,0|1,0,0]=3 3590 B12R1.475 OCC(c1ccccc1)(NC)C 1P01AVKY [0,2,0,0,0,0|1,0,0]=3 3591 B12R1.3 C=CCC(c1ccccc1)CO 1P01B37G [0,2,0,0,0,0|1,0,0]=3 3592 B12R1.3 CCC(c1ccccc1)NCC 1P019M77 [0,2,0,0,0,0|1,0,0]=3 3593 B12R1.3 CCC(c1ccncc1)NCC 1P01AKOZ [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.3 CCCC(c1ccccc1)C=O 1P01A4J2 [0,2,0,0,0,0|1,0,1]=4 3595 B12R1.3 CCCC(c1ccccn1)NC 1P01ABLS [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.3 CCOC(c1ccccc1)C#N 1P01AFW1 [0,2,0,0,0,0|0,0,2]=4 3597 B12R1.3 CC[C@@H](c1ccccc1)N=C=O 1P001V1Z [0,2,0,0,0,0|1,0,1]=4 3598 B12R1.3 CC[C@H](c1ccccc1)N=C=O 1P001V20 [0,2,0,0,0,0|1,0,1]=4 3599 B12R1.3 CNC(c1ccccc1)CC#C 1P01AAJG [0,2,0,0,0,0|1,0,0]=3 3600 B12R1.3 COCC(c1ccccn1)NC 1P006AOU [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.3 N#CC(c1ccccc1)CC#N 1P001399 [0,2,0,0,0,0|0,0,2]=4 3602 B12R1.3 NCC(c1ccccc1)OCC 1P01BFHK [0,2,0,0,0,0|0,0,0]=2 3603 B12R1.3 NCCN(c1ccccc1)CC 1P01BEMJ [0,2,0,0,0,0|1,0,0]=3 3604 B12R1.3 O=CC(c1ccccc1)CC=C 1P007NYV [0,2,0,0,0,0|1,0,1]=4 3605 B12R1.3 OCC(c1ccccc1)NCC 1P01AYUQ [0,2,0,0,0,0|1,0,0]=3 3606 B12R1.3 OCCC(c1ccccc1)CN 1P0073RE [0,2,0,0,0,0|0,0,0]=2 3607 B12R1.3 OCCC(c1ccccc1)NC 1P00FE1N [0,2,0,0,0,0|1,0,0]=3 3608 B12R1.3 OCCC(c1ccncc1)CN 1P028JTA [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.3 OCCN(c1ccccc1)CC 1P006I7O [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.12 BrCC(c1ccc(cc1)C)CBr 1P028J99 [0,2,0,0,0,0|1,0,0]=3 3611 B12R1.12 BrCC(c1ccc(cc1)Cl)CBr 1P028J35 [0,2,0,0,0,0|1,0,0]=3 3612 B12R1.12 BrCC(c1ccc(cc1)F)OC 1P01BVFQ [0,2,0,0,0,0|1,0,0]=3 3613 B12R1.12 CCC(c1ccc(cc1)Br)C#N 1P00IKOG [0,2,0,0,0,0|0,0,2]=4 3614 B12R1.12 CCC(c1ccc(cc1)Br)NC 1P006PCY [0,2,0,0,0,0|1,0,0]=3 3615 B12R1.12 CCC(c1ccc(cc1)Cl)CN 1P01A1HW [0,2,0,0,0,0|0,0,0]=2 3616 B12R1.12 CCN(c1ccc(cc1)Br)CC 1P002AEM [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.12 CCN(c1ccc(cc1)C)CC 1P003T0P [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.12 CCN(c1ccc(cc1)N)CC 1P003L8A [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.12 CCN(c1ccc(cc1)N)CC 1P003T4C [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.12 CCN(c1ccc(cc1)N)CC 1P00IBIS [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.12 CNC(=NN)c1ccc(cc1)F 1P01AHCX [0,2,0,0,0,0|1,0,1]=4 3622 B12R1.12 CNC(c1ccc(cc1)O)C#N 1P01BS23 [0,2,0,0,0,0|0,0,2]=4 3623 B12R1.12 COC(c1ccc(cc1)Br)C#N 1P01A1NK [0,2,0,0,0,0|0,0,2]=4 3624 B12R1.12 COC(c1ccc(cc1)Br)OC 1P002Q45 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.12 COC(c1ccc(cc1)C)CN 1P028KE9 [0,2,0,0,0,0|0,0,0]=2 3626 B12R1.12 COC(c1ccc(cc1)F)C#N 1P019TLM [0,2,0,0,0,0|0,0,2]=4 3627 B12R1.12 FCC(c1ccc(cc1)Br)NC 1P01FJ0Y [0,2,0,0,0,0|1,0,0]=3 3628 B12R1.12 NCC(c1ccc(cc1)Br)CO 1P028VOD [0,2,0,0,0,0|0,0,0]=2 3629 B12R1.12 NCC(c1ccc(cc1)Cl)CO 1P01B9QN [0,2,0,0,0,0|0,0,0]=2 3630 B12R1.12 NCC(c1ccc(cc1)Cl)CO 1P01BB8P [0,2,0,0,0,0|0,0,0]=2 3631 B12R1.12 NCC(c1ccc(cc1)Cl)OC 1P019Q9O [0,2,0,0,0,0|0,0,0]=2 3632 B12R1.12 NCC(c1ccc(cc1)Cl)OC 1P019SB8 [0,2,0,0,0,0|0,0,0]=2 3633 B12R1.12 NCC(c1ccc(cc1)F)CO 1P01C3DY [0,2,0,0,0,0|0,0,0]=2 3634 B12R1.12 NCC(c1ccc(cc1)F)NC 1P019RBF [0,2,0,0,0,0|0,0,0]=2 3635 B12R1.12 NCC(c1ccc(cc1)F)OC 1P019TL0 [0,2,0,0,0,0|0,0,0]=2 3636 B12R1.12 NCC(c1ccc(cc1)O)OC 1P028CO8 [0,2,0,0,0,0|0,0,0]=2 3637 B12R1.12 OCC(c1ccc(cc1)Br)NC 1P027VWN [0,2,0,0,0,0|1,0,0]=3 3638 B12R1.12 OCC(c1ccc(cc1)Cl)CO 1P00177Y [0,2,0,0,0,0|1,0,0]=3 3639 B12R1.12 OCC(c1ccc(cc1)Cl)NC 1P01APOE [0,2,0,0,0,0|1,0,0]=3 3640 B12R1.12 OCC(c1ccc(cc1)F)CO 1P01DZPS [0,2,0,0,0,0|1,0,0]=3 3641 B12R1.12 OCC(c1ccc(cc1)F)NC 1P027ULV [0,2,0,0,0,0|1,0,0]=3 3642 B12R1.12 OCC(c1ccc(cc1)F)OC 1P01BVFP [0,2,0,0,0,0|1,0,0]=3 3643 B12R1.12 OCC(c1ccc(cc1)O)CO 1P01DWM3 [0,2,0,0,0,0|1,0,0]=3 3644 B12R1.13 CCC(c1cccc(c1)Cl)C#N 1P01E42U [0,2,0,0,0,0|0,0,2]=4 3645 B12R1.13 CCC(c1cccc(c1)Cl)NC 1P02936J [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.13 CCN(c1cccc(c1)Br)CC 1P00DG5Z [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.13 CCN(c1cccc(c1)C)CC 1P003T0H [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.13 CCN(c1cccc(c1)N)CC 1P002TZW [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.13 CCN(c1cccc(c1)O)CC 1P003JTS [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.13 CNC(c1cccc(c1)Br)CO 1P01A46S [0,2,0,0,0,0|1,0,0]=3 3651 B12R1.13 CNC(c1cccc(c1)Cl)CO 1P027VRG [0,2,0,0,0,0|1,0,0]=3 3652 B12R1.13 CNC(c1cccc(c1)F)CO 1P01AAKJ [0,2,0,0,0,0|1,0,0]=3 3653 B12R1.13 CNC(c1cccc(c1)F)CO 1P0280D8 [0,2,0,0,0,0|1,0,0]=3 3654 B12R1.13 COC(c1cccc(c1)Br)OC 1P005RRG [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.13 COC(c1cccc(c1)C)CN 1P028USL [0,2,0,0,0,0|0,0,0]=2 3656 B12R1.13 COC(c1cccc(c1)Cl)C#N 1P019SMD [0,2,0,0,0,0|0,0,2]=4 3657 B12R1.13 COC(c1cccc(c1)Cl)CN 1P019SM1 [0,2,0,0,0,0|0,0,0]=2 3658 B12R1.13 COC(c1cccc(c1)F)CN 1P028TDZ [0,2,0,0,0,0|0,0,0]=2 3659 B12R1.13 NCC(c1cccc(c1)Br)CO 1P01FIA2 [0,2,0,0,0,0|0,0,0]=2 3660 B12R1.13 NCC(c1cccc(c1)C)CO 1P006DN1 [0,2,0,0,0,0|0,0,0]=2 3661 B12R1.13 NCC(c1cccc(c1)Cl)CO 1P01BC6H [0,2,0,0,0,0|0,0,0]=2 3662 B12R1.13 NCC(c1cccc(c1)F)CO 1P01FIA3 [0,2,0,0,0,0|0,0,0]=2 3663 B12R1.13 OCC(c1cccc(c1)Br)CO 1P01JMP2 [0,2,0,0,0,0|1,0,0]=3 3664 B12R1.13 OCC(c1cccc(c1)F)CO 1P01A1K8 [0,2,0,0,0,0|1,0,0]=3 3665 B12R1.243 CCC(c1ccncc1C)CC 1P01EYE5 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.243 CCN(c1ccccc1C)CC 1P003T0L [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.243 CNC(c1ccccc1C)CO 1P01BU7B [0,2,0,0,0,0|1,0,0]=3 3668 B12R1.243 CNC(c1ccccc1F)CO 1P027U5R [0,2,0,0,0,0|1,0,0]=3 3669 B12R1.243 COC(c1ccccc1Br)C#N 1P01C634 [0,2,0,0,0,0|0,0,2]=4 3670 B12R1.243 COC(c1ccccc1Br)OC 1P00C7KH [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.243 COC(c1ccccc1C)C#N 1P00KK1T [0,2,0,0,0,0|0,0,2]=4 3672 B12R1.243 COC(c1ccccc1C)CN 1P028TXL [0,2,0,0,0,0|0,0,0]=2 3673 B12R1.243 COC(c1ccccc1Cl)C#N 1P01A1CZ [0,2,0,0,0,0|0,0,2]=4 3674 B12R1.243 COC(c1ccccc1Cl)CN 1P01A0VY [0,2,0,0,0,0|0,0,0]=2 3675 B12R1.243 COC(c1ccccc1F)CN 1P028SE2 [0,2,0,0,0,0|0,0,0]=2 3676 B12R1.243 NCC(c1ccccc1Cl)CO 1P01BBNN [0,2,0,0,0,0|0,0,0]=2 3677 B12R1.243 OCC(c1ccccc1F)CO 1P01DVMH [0,2,0,0,0,0|1,0,0]=3 3678 B12R1.243 OCC(c1ncccc1C)CO 1P00P75H [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.478 BrCC(c1ccccc1)C(C)C 1P01BM1R [0,2,0,0,0,0|1,0,0]=3 3680 B12R1.478 CC(C(c1ccccc1)C#N)C 1P003HY8 [0,2,0,0,0,0|0,0,2]=4 3681 B12R1.478 CCC(c1ccccc1)C(=O)Cl 1P003IC1 [0,2,0,0,0,0|1,0,1]=4 3682 B12R1.478 CCC(c1ccccc1)C(=O)N 1P0037CE [0,2,0,0,0,0|0,0,1]=3 3683 B12R1.478 CCC(c1ccccc1)C(=O)O 1P003IBY [0,2,0,0,0,0|1,0,1]=4 3684 B12R1.478 CCN(c1ccccc1)C(=O)C 1P00DC3M [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O 1P003CXQ [0,2,0,0,0,0|1,0,1]=4 3686 B12R1.478 CC[C@H](c1ccccc1)C(=O)O 1P003CJN [0,2,0,0,0,0|1,0,1]=4 3687 B12R1.478 CN(C(c1ccccc1)C#C)C 1P028BGJ [0,2,0,0,0,0|1,0,1]=4 3688 B12R1.478 CN(C(c1ccccc1)C#N)C 1P003O7T [0,2,0,0,0,0|0,0,2]=4 3689 B12R1.478 CNC(c1ccccc1)C(=O)O 1P002W4Z [0,2,0,0,0,0|1,0,1]=4 3690 B12R1.478 CNC(c1ccccc1)C(=O)O 1P005WE4 [0,2,0,0,0,0|1,0,1]=4 3691 B12R1.478 CNC(c1ccccc1)C(C)C 1P01AI8F [0,2,0,0,0,0|1,0,0]=3 3692 B12R1.478 CNC(c1ccccc1)C(N)C 1P028JX4 [0,2,0,0,0,0|0,0,0]=2 3693 B12R1.478 CNC(c1cccnc1)C(C)C 1P01AAT2 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.478 CNC(c1cccnc1)C(C)C 1P028B7B [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P002S6K [0,2,0,0,0,0|1,0,1]=4 3696 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P0251NM [0,2,0,0,0,0|1,0,1]=4 3697 B12R1.478 CN[C@H](c1ccccc1)C(=O)O 1P00325K [0,2,0,0,0,0|1,0,1]=4 3698 B12R1.478 COC(c1ccccc1)C(=O)C 1P008OMN [0,2,0,0,0,0|1,0,1]=4 3699 B12R1.478 COC(c1ccccc1)C(=O)O 1P001ARG [0,2,0,0,0,0|1,0,1]=4 3700 B12R1.478 COC(c1ccccc1)C(=O)O 1P00ICHO [0,2,0,0,0,0|1,0,1]=4 3701 B12R1.478 COC(c1ccccc1)C(=O)[O-] 1P00ENH0 [0,2,0,0,0,0|1,0,1]=4 3702 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O 1P003CYC [0,2,0,0,0,0|1,0,1]=4 3703 B12R1.478 CO[C@H](c1ccccc1)C(=O)O 1P003CJZ [0,2,0,0,0,0|1,0,1]=4 3704 B12R1.478 CSC(c1ccccc1)C(=O)O 1P01AKM2 [0,2,0,0,0,0|1,0,1]=4 3705 B12R1.478 N#CC(c1ccccc1)C(=O)N 1P005PSU [0,2,0,0,0,0|0,0,2]=4 3706 B12R1.478 NCC(c1ccccc1)C(=O)O 1P00D8WB [0,2,0,0,0,0|0,0,1]=3 3707 B12R1.478 NCC(c1ccccc1)C(=O)O 1P01BGCY [0,2,0,0,0,0|0,0,1]=3 3708 B12R1.478 NCC(c1ccccc1)C(F)F 1P028ODK [0,2,0,0,0,0|0,0,0]=2 3709 B12R1.478 NCC(c1ccccc1)N(C)C 1P003C24 [0,2,0,0,0,0|0,0,0]=2 3710 B12R1.478 NCC(c1ccccn1)N(C)C 1P00GWCK [0,2,0,0,0,0|1,0,0]=3 3711 B12R1.478 NCC(c1cccnc1)C(C)C 1P019U8F [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.478 NCC(c1cccnc1)N(C)C 1P00ETLM [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.478 NCC(c1cccnc1)N(C)C 1P028280 [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.478 NCC(c1ccncc1)N(C)C 1P00II1J [0,2,0,0,0,0|1,0,0]=3 3715 B12R1.478 NC[C@@H](c1ccccc1)C(=O)O 1P018QKP [0,2,0,0,0,0|0,0,1]=3 3716 B12R1.478 NC[C@@H](c1ccccc1)N(C)C 1P02818H [0,2,0,0,0,0|0,0,0]=2 3717 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P001AZ3 [0,2,0,0,0,0|0,0,1]=3 3718 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P0092K6 [0,2,0,0,0,0|0,0,1]=3 3719 B12R1.478 NC[C@H](c1ccccc1)C(C)C 1P0032XS [0,2,0,0,0,0|0,0,0]=2 3720 B12R1.478 NC[C@H](c1ccccc1)N(C)C 1P020MLH [0,2,0,0,0,0|0,0,0]=2 3721 B12R1.478 O=CC(c1ccccc1)C(C)C 1P007NZ9 [0,2,0,0,0,0|1,0,1]=4 3722 B12R1.478 OCC(c1ccccc1)C(=O)N 1P00EM6X [0,2,0,0,0,0|0,0,1]=3 3723 B12R1.478 OCC(c1ccccc1)C(C)C 1P0288C7 [0,2,0,0,0,0|1,0,0]=3 3724 B12R1.478 OC[C@@H](c1ccccc1)C(=O)O 1P00B6AQ [0,2,0,0,0,0|1,0,1]=4 3725 B12R1.478 OC[C@H](c1ccccc1)C(=O)O 1P00B5QX [0,2,0,0,0,0|1,0,1]=4 3726 B12R1.16 C=CCC(c1ccc(cc1)Br)O 1P01BUXR [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.16 C=CCC(c1ccc(cc1)Cl)O 1P001KZS [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.16 C=CCC(c1ccc(cc1)F)N 1P000HUF [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.16 C=CCC(c1ccc(cc1)F)N 1P0096TF [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.16 C=CC[C@H](c1ccc(cc1)F)N 1P001ATK [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.16 CC(c1ccc(cc1)Br)N=C=O 1P002JV3 [0,2,0,0,0,0|1,0,1]=4 3732 B12R1.16 CC(c1ccc(cc1)Br)N=C=S 1P01C2IH [0,2,0,0,0,0|1,0,1]=4 3733 B12R1.16 CCCC(c1ccc(cc1)Br)O 1P00C2KD [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.16 CCCC(c1ccc(cc1)Cl)N 1P01A0F3 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.16 CCCC(c1ccc(cc1)F)N 1P00AST0 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.16 CCCC(c1ccc(cc1)O)N 1P023J1G [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.16 CCCC(c1ccc(cc1)O)N 1P028OOT [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00A08O [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00I79Y [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.16 CCC[C@@H](c1ccc(cc1)F)N 1P000WWN [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.16 CCC[C@H](c1ccc(cc1)C)N 1P00GAQD [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.16 CCC[C@H](c1ccc(cc1)F)N 1P00A064 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.16 CCNC(c1ccc(cc1)F)C 1P019VOC [0,2,0,0,0,0|1,0,0]=3 3744 B12R1.16 CCNC(c1ccc(cc1)F)C 1P01A7SG [0,2,0,0,0,0|1,0,0]=3 3745 B12R1.16 CCNC(c1ccc(cn1)Cl)C 1P028MVF [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.16 CCN[C@@H](c1ccc(cc1)Br)C 1P0282NA [0,2,0,0,0,0|1,0,0]=3 3747 B12R1.16 CCN[C@H](c1ccc(cc1)Br)C 1P0282TW [0,2,0,0,0,0|1,0,0]=3 3748 B12R1.16 CNCC(=O)c1ccc(cc1)O 1P00BFSJ [0,2,0,0,0,0|1,0,1]=4 3749 B12R1.16 CNCC(c1ccc(cc1)Br)O 1P01C2YN [0,2,0,0,0,0|1,0,0]=3 3750 B12R1.16 CNCC(c1ccc(cc1)Cl)O 1P00VT0L [0,2,0,0,0,0|1,0,0]=3 3751 B12R1.16 CNCC(c1ccc(cc1)F)O 1P00DJHD [0,2,0,0,0,0|1,0,0]=3 3752 B12R1.16 CNCC(c1ccc(cc1)F)O 1P01ABEV [0,2,0,0,0,0|1,0,0]=3 3753 B12R1.16 CNCC(c1ccc(cc1)O)O 1P001WVF [0,2,0,0,0,0|1,0,0]=3 3754 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IB2Z [0,2,0,0,0,0|1,0,0]=3 3755 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IN24 [0,2,0,0,0,0|1,0,0]=3 3756 B12R1.16 COCC(c1ccc(cc1)Cl)N 1P01BFX0 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.16 COCC(c1ccc(cc1)Cl)N 1P01KLI6 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.16 COCC(c1ccc(cc1)F)N 1P019TJL [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.16 COCC(c1ccc(cc1)F)N 1P01AEWK [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.16 COC[C@H](c1ccc(cc1)Br)N 1P024S9F [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.16 COC[C@H](c1ccc(cc1)F)N 1P01KKLH [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O 1P001MAA [0,2,0,0,0,0|1,0,1]=4 3763 B12R1.16 C[C@@H](c1ccc(cc1)C)N=[N+]=[N-] 1P02904D [0,2,0,0,0,0|1,0,1]=4 3764 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=[N+]=[N-] 1P01C3CN [0,2,0,0,0,0|1,0,1]=4 3765 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=O 1P003CL2 [0,2,0,0,0,0|1,0,1]=4 3766 B12R1.16 C[C@H](c1ccc(cc1)C)N=[N+]=[N-] 1P028TL7 [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=[N+]=[N-] 1P01C3CE [0,2,0,0,0,0|1,0,1]=4 3768 B12R1.16 NCCC(c1ccc(cn1)Cl)O 1P028DL7 [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.16 NCCN(c1ccc(cc1)Br)C 1P01DX6F [0,2,0,0,0,0|1,0,0]=3 3770 B12R1.16 NCCN(c1ccc(cc1)Br)C 1P027W44 [0,2,0,0,0,0|1,0,0]=3 3771 B12R1.16 NCCS(=O)c1ccc(cc1)C 1P0288WM [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.16 O=CNC(c1ccc(cc1)Cl)C 1P01DZNB [0,2,0,0,0,0|1,0,1]=4 3773 B12R1.16 OC(c1ccc(cc1)Br)CC#N 1P0288YK [0,2,0,0,0,0|1,0,1]=4 3774 B12R1.16 OC(c1ccc(cc1)F)CC#N 1P024VNV [0,2,0,0,0,0|1,0,1]=4 3775 B12R1.16 OCCC(c1ccc(cc1)Br)N 1P00G3DW [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.16 OCCC(c1ccc(cc1)Br)O 1P01JMSI [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.16 OCCC(c1ccc(cc1)C)N 1P005MC3 [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.16 OCCC(c1ccc(cc1)Cl)N 1P006DN0 [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.16 OCCC(c1ccc(cc1)F)N 1P00EB6W [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.16 OCCC(c1ccc(cc1)N)N 1P00HDMM [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.16 OCCN(c1ccc(cc1)C)C 1P00I5SP [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.16 OCC[C@@H](c1ccc(cc1)Br)N 1P000BLA [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.16 OCC[C@@H](c1ccc(cc1)Br)N 1P01DMCI [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.16 OCC[C@@H](c1ccc(cc1)Cl)N 1P003D2G [0,2,0,0,0,0|2,0,0]=4 3785 B12R1.16 OCC[C@@H](c1ccc(cc1)F)N 1P007PVP [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.16 OCC[C@@H](c1ccc(cc1)F)N 1P01ERGW [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.16 OCC[C@@H](c1ccc(cc1)N)N 1P0013RY [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.16 OCC[C@H](c1ccc(cc1)Br)N 1P009BQE [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.16 OCC[C@H](c1ccc(cc1)C)N 1P008SOF [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.16 OCC[C@H](c1ccc(cc1)Cl)N 1P009BPE [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.17 C=CCC(c1cccc(c1)Cl)N 1P01X006 [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.17 CC(c1cc(Cl)ccn1)NCC 1P028IK3 [0,2,0,0,0,0|2,0,0]=4 3793 B12R1.17 CCCC(c1cccc(c1)F)N 1P00ASSL [0,2,0,0,0,0|2,0,0]=4 3794 B12R1.17 CCNC(c1cccc(c1)O)C 1P019NN1 [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.17 CNCC(c1cccc(c1)Br)O 1P01ALNQ [0,2,0,0,0,0|1,0,0]=3 3796 B12R1.17 CNCC(c1cccc(c1)C)O 1P01BNXW [0,2,0,0,0,0|1,0,0]=3 3797 B12R1.17 CNCC(c1cccc(c1)O)O 1P003QB4 [0,2,0,0,0,0|1,0,0]=3 3798 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P003U6B [0,2,0,0,0,0|1,0,0]=3 3799 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P00IB8X [0,2,0,0,0,0|1,0,0]=3 3800 B12R1.17 COCC(c1cccc(c1)Br)N 1P01BSPB [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.17 COCC(c1cccc(c1)Cl)N 1P01BCBA [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.17 COCC(c1cccc(c1)N)O 1P01A996 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.17 COC[C@H](c1cccc(c1)Cl)N 1P01KLPI [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.17 COC[C@H](c1cccc(c1)F)N 1P01KKYG [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.17 N#CCC(c1cccc(c1)Cl)O 1P0287Z9 [0,2,0,0,0,0|1,0,1]=4 3806 B12R1.17 NCCN(c1cccc(c1)C)C 1P01BF1G [0,2,0,0,0,0|1,0,0]=3 3807 B12R1.17 OCCC(c1cccc(c1)Br)N 1P00G3DR [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.17 OCCC(c1cccc(c1)Br)N 1P01DMCH [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.17 OCCC(c1cccc(c1)Cl)N 1P005Z1V [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.17 OCCC(c1cccc(c1)Cl)O 1P0037LE [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.17 OCCC(c1cccc(c1)F)N 1P00FBEB [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.17 OCC[C@@H](c1cccc(c1)Br)N 1P00AAFA [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.17 OCC[C@@H](c1cccc(c1)C)N 1P00HGJ8 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.17 OCC[C@@H](c1cccc(c1)Cl)N 1P009ZWB [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.17 OCC[C@@H](c1cccc(c1)Cl)O 1P00ELIZ [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.17 OCC[C@@H](c1cccc(c1)O)N 1P00HGJ6 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.17 OCC[C@H](c1cccc(c1)Br)N 1P009ZW2 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.17 OCC[C@H](c1cccc(c1)C)N 1P00HGKA [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.17 OCC[C@H](c1cccc(c1)Cl)N 1P009BQF [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.17 OCC[C@H](c1cccc(c1)F)N 1P00HRX7 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.17 [N-]=[N+]=N[C@H](c1cccc(c1)F)C 1P01ELG5 [0,2,0,0,0,0|1,0,1]=4 3822 B12R1.30 BrCCCN(c1ccccc1)C 1P01C4YC [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.30 C=CCCC(c1ccccc1)N 1P01A1ZO [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.30 C=CCNC(c1ccccc1)C 1P01AX3I [0,2,0,0,0,0|1,0,0]=3 3825 B12R1.30 CC(c1ccccc1)NCC#C 1P00IALV [0,2,0,0,0,0|1,0,0]=3 3826 B12R1.30 CCCCC(c1ccccc1)O 1P003R1N [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.30 CCCC[C@@H](c1ccccc1)N 1P01A60F [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.30 CCCC[C@@H](c1ccccc1)O 1P00CM66 [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.30 CCCC[C@H](c1ccccc1)N 1P01A60H [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.30 CCCNC(c1ccccc1)C 1P00BBYH [0,2,0,0,0,0|1,0,0]=3 3831 B12R1.30 CCNCC(c1ccccc1)N 1P01A2CQ [0,2,0,0,0,0|1,0,0]=3 3832 B12R1.30 CCOCC(c1ccccc1)N 1P01WZT9 [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.30 CN(c1ccccc1)CCC#C 1P0013HQ [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.30 CN(c1ccccc1)CCC#N 1P003SPW [0,2,0,0,0,0|1,0,1]=4 3835 B12R1.30 CNCCC(=O)c1ccccc1 1P00I5B3 [0,2,0,0,0,0|1,0,1]=4 3836 B12R1.30 CNCCC(c1ccccc1)O 1P00346T [0,2,0,0,0,0|1,0,0]=3 3837 B12R1.30 CNCCN(c1ccccc1)C 1P01AH3S [0,2,0,0,0,0|1,0,0]=3 3838 B12R1.30 CNCCN(c1ccccc1)C 1P028RXS [0,2,0,0,0,0|1,0,0]=3 3839 B12R1.30 CNCC[C@@H](c1ccccc1)O 1P000B3I [0,2,0,0,0,0|1,0,0]=3 3840 B12R1.30 CNCC[C@H](c1ccccc1)O 1P000H17 [0,2,0,0,0,0|1,0,0]=3 3841 B12R1.30 COCCC(c1ccccc1)Cl 1P00DQG1 [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.30 COCCC(c1ccccc1)O 1P01A2S9 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.30 COCC[C@H](c1ccccc1)N 1P028QNB [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.30 NC(c1ccccc1)CCC#C 1P01DWCL [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.30 NC(c1ccccc1)CCC#N 1P01A295 [0,2,0,0,0,0|1,0,1]=4 3846 B12R1.30 NCCCC(c1ccccc1)C 1P024SFP [0,2,0,0,0,0|0,0,0]=2 3847 B12R1.30 NCCCC(c1ccccc1)N 1P027XAJ [0,2,0,0,0,0|1,0,0]=3 3848 B12R1.30 NCCCN(c1ccccc1)C 1P003SRA [0,2,0,0,0,0|1,0,0]=3 3849 B12R1.30 NCCCN(c1ccccn1)C 1P019NRU [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.30 NCCCN(c1ccccn1)C 1P01BU7A [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.30 NCCNC(=O)c1ccccc1 1P00ASHH [0,2,0,0,0,0|1,0,1]=4 3852 B12R1.30 O=CNCC(=O)c1ccccc1 1P00FGWF [0,2,0,0,0,0|1,0,1]=4 3853 B12R1.30 OC(c1ccccc1)CCC#C 1P01DZO5 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.30 OC(c1ccccc1)CN=[N+]=[N-] 1P01B9LH [0,2,0,0,0,0|1,0,1]=4 3855 B12R1.30 OCCCC(c1ccccc1)N 1P00CNE3 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.30 OCCCC(c1ccccc1)O 1P01I7XA [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.30 OCCCN(c1ccccc1)C 1P00BYVQ [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.30 OCCC[C@@H](c1ccccc1)N 1P002326 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.30 OCCN[C@@H](c1ccccc1)C 1P0059K4 [0,2,0,0,0,0|1,0,0]=3 3860 B12R1.30 OCCN[C@H](c1ccccc1)C 1P00IC3Y [0,2,0,0,0,0|1,0,0]=3 3861 B12R1.107 CC(CC(=O)c1ccccc1)N 1P01A02K [0,2,0,0,0,0|1,0,1]=4 3862 B12R1.107 CC(CC(c1ccccn1)C)C 1P01EY0Y [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.107 CC(CN(c1ccccc1)C)N 1P019XOL [0,2,0,0,0,0|1,0,0]=3 3864 B12R1.107 CC(CN(c1ccccc1)C)N 1P01A7V7 [0,2,0,0,0,0|1,0,0]=3 3865 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [0,2,0,0,0,0|1,0,0]=3 3866 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,2,0,0,0,0|1,0,1]=4 3867 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,2,0,0,0,0|0,0,1]=3 3868 B12R1.107 CC(c1ccccc1)NC(=S)N 1P00FCYI [0,2,0,0,0,0|0,0,1]=3 3869 B12R1.107 CC(c1ccccc1)NC(C)C 1P0073Y4 [0,2,0,0,0,0|1,0,0]=3 3870 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,2,0,0,0,0|1,0,1]=4 3871 B12R1.107 CC(c1ccncc1)CC(=O)O 1P00DE5H [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.107 CC(c1ccncc1)CC(=O)O 1P01BVVQ [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.107 CN(CC(=O)c1ccccc1)C 1P00CNM0 [0,2,0,0,0,0|1,0,1]=4 3874 B12R1.107 CN(CC(c1cccnc1)N)C 1P028X9N [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.107 CN(c1ccccc1)CC(=O)O 1P003A5H [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.107 CN(c1ccccc1)CC(=O)O 1P0076QI [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [0,2,0,0,0,0|1,0,0]=3 3878 B12R1.107 C[C@@H](c1ccccc1)NC(C)C 1P000CM5 [0,2,0,0,0,0|1,0,0]=3 3879 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [0,2,0,0,0,0|1,0,0]=3 3880 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,2,0,0,0,0|1,0,1]=4 3881 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,2,0,0,0,0|0,0,1]=3 3882 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,2,0,0,0,0|1,0,0]=3 3884 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [0,2,0,0,0,0|2,0,0]=4 3885 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.107 NC(c1ccccc1)CC(C)C 1P00C0WB [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.107 NC(c1ccccc1)CC(C)C 1P019LPB [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.107 NC(c1ccccc1)CC(F)F 1P01C40K [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.107 NC(c1ccccc1)CN(C)C 1P00BZGW [0,2,0,0,0,0|1,0,0]=3 3890 B12R1.107 NC(c1ccccc1)CN(C)C 1P01ADDB [0,2,0,0,0,0|1,0,0]=3 3891 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P000T0X [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P008YO7 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P003722 [0,2,0,0,0,0|1,0,0]=3 3897 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P01BD0I [0,2,0,0,0,0|1,0,0]=3 3898 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P000WWO [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P008YO9 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.107 N[C@H](c1ccccc1)CN(C)C 1P00BASK [0,2,0,0,0,0|1,0,0]=3 3903 B12R1.107 OC(=O)CC(c1ccccn1)C 1P00H5G0 [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.107 OC(=O)CC(c1cccnc1)C 1P01AJ2C [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.107 OC(c1ccccc1)CC(F)F 1P01EN0Y [0,2,0,0,0,0|2,0,0]=4 3907 B12R1.107 OC(c1ccccc1)CC(N)C 1P01A046 [0,2,0,0,0,0|1,0,0]=3 3908 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.107 O[C@@H](c1ccccc1)CN(C)C 1P028DPC [0,2,0,0,0,0|1,0,0]=3 3910 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.308 CCCC(c1ccccc1C)N 1P01AT9E [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.308 CCCC(c1ccccc1Cl)O 1P01IGTQ [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.308 CCCN(c1ccccc1N)C 1P01BY8N [0,2,0,0,0,0|2,0,0]=4 3914 B12R1.308 CCC[C@H](c1ccccc1C)N 1P001TCR [0,2,0,0,0,0|2,0,0]=4 3915 B12R1.308 CCC[C@H](c1ccccc1C)N 1P00FAMU [0,2,0,0,0,0|2,0,0]=4 3916 B12R1.308 CNCC(=O)c1ccccc1Cl 1P01BILJ [0,2,0,0,0,0|1,0,1]=4 3917 B12R1.308 CNCC(c1ccccc1Br)O 1P01ALNO [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.308 COCC(c1ccccc1Cl)N 1P028NCU [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.308 COCC(c1ccccc1Cl)O 1P028J5E [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.308 CONC(c1ccccc1C)C 1P01BCYZ [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.308 CSCC(c1ccccc1Cl)N 1P028MEP [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.308 N#CCC(c1ccccc1Cl)O 1P028XMV [0,2,0,0,0,0|1,0,1]=4 3923 B12R1.308 NCCC(=O)c1ccccc1N 1P0030GO [0,2,0,0,0,0|1,0,1]=4 3924 B12R1.308 NCCC(=O)c1ccccc1N 1P01BAEY [0,2,0,0,0,0|1,0,1]=4 3925 B12R1.308 NCCS(=O)c1ccccc1F 1P01AIJF [0,2,0,0,0,0|2,0,0]=4 3926 B12R1.308 O=C=NC(c1ccccc1C)C 1P01B3IS [0,2,0,0,0,0|1,0,1]=4 3927 B12R1.308 OCCC(c1ccccc1Br)N 1P00ASQL [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.308 OCCC(c1ccccc1C)N 1P00C3JR [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.308 OCCC(c1ccccc1Cl)N 1P00BDV7 [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.308 OCCC(c1ccccc1F)N 1P00EDSS [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.308 OCCC(c1ccccc1F)N 1P00HVO6 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.308 OCCC(c1ccccc1N)N 1P00GT47 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.308 OCCN(c1ccccc1N)C 1P0098J0 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.308 OCC[C@@H](c1ccccc1Cl)N 1P01ERGU [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.308 [N-]=[N+]=NC(c1ccccc1F)C 1P01BY30 [0,2,0,0,0,0|1,0,1]=4 3936 B12R1.308 [N-]=[N+]=N[C@@H](c1ccccc1Br)C 1P01B432 [0,2,0,0,0,0|1,0,1]=4 3937 B12R1.308 [N-]=[N+]=N[C@@H](c1ccccc1Cl)C 1P01ANLG [0,2,0,0,0,0|1,0,1]=4 3938 B12R1.308 [N-]=[N+]=N[C@H](c1ccccc1Br)C 1P01B7WO [0,2,0,0,0,0|1,0,1]=4 3939 B12R1.308 [N-]=[N+]=N[C@H](c1ccccc1Cl)C 1P01ANLH [0,2,0,0,0,0|1,0,1]=4 3940 B12R1.5 BrCC(c1ccc(cc1)C#N)O 1P01AVK1 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.5 BrCC(c1ccc(cc1)OC)C 1P01C5Y6 [0,2,0,0,0,0|1,0,0]=3 3942 B12R1.5 CCC(c1ccc(cc1)C=O)C 1P027BNL [0,2,0,0,0,0|1,0,0]=3 3943 B12R1.5 CCC(c1ccc(cc1)CBr)C 1P028MY5 [0,2,0,0,0,0|1,0,0]=3 3944 B12R1.5 CCC(c1ccc(cc1)CN)C 1P028LPW [0,2,0,0,0,0|1,0,0]=3 3945 B12R1.5 CCC(c1ccc(cc1)CO)C 1P01A5DD [0,2,0,0,0,0|1,0,0]=3 3946 B12R1.5 CCC(c1ccc(cc1)OC)N 1P00539D [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.5 CCC(c1ccc(cc1)OC)N 1P00BHGB [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.5 CCC(c1ccc(cc1)OC)O 1P003UKR [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.5 CCN(c1ccc(cc1)C=O)C 1P00EEEA [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.5 CCN(c1ccc(cc1)CCl)C 1P019S88 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.5 CC[C@@H](c1ccc(cc1)OC)N 1P0039RO [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.5 CC[C@H](c1ccc(cc1)OC)N 1P003ATJ [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.5 CCc1ccc(cc1)C(C=O)C 1P02882O [0,2,0,0,0,0|1,0,1]=4 3954 B12R1.5 CCc1ccc(cc1)C(CC)N 1P00ASSX [0,2,0,0,0,0|2,0,0]=4 3955 B12R1.5 CCc1ccc(cc1)[C@@H](CC)N 1P0096T8 [0,2,0,0,0,0|2,0,0]=4 3956 B12R1.5 CCc1ccc(cc1)[C@H](CC)N 1P00A08I [0,2,0,0,0,0|2,0,0]=4 3957 B12R1.5 CNC(c1ccc(cc1)OC)C 1P0071VR [0,2,0,0,0,0|2,0,0]=4 3958 B12R1.5 CNC(c1ccc(cc1)OC)C 1P0096TC [0,2,0,0,0,0|2,0,0]=4 3959 B12R1.5 COc1ccc(cc1)C(C#N)C 1P0288FD [0,2,0,0,0,0|0,0,2]=4 3960 B12R1.5 CSc1ccc(cc1)C(C=O)C 1P0292JL [0,2,0,0,0,0|1,0,1]=4 3961 B12R1.5 FCC(c1ccc(cc1)C#N)N 1P01FJX4 [0,2,0,0,0,0|2,0,0]=4 3962 B12R1.5 FCC(c1ccc(cc1)C#N)O 1P01DXQK [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.5 FCC(c1ccc(cc1)OC)N 1P01BVFZ [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.5 NCC(=O)c1ccc(cc1)C#N 1P00DM0I [0,2,0,0,0,0|1,0,1]=4 3965 B12R1.5 NCC(=O)c1ccc(cc1)CC 1P027UOA [0,2,0,0,0,0|1,0,1]=4 3966 B12R1.5 NCC(=O)c1ccc(cc1)OC 1P003GSN [0,2,0,0,0,0|1,0,1]=4 3967 B12R1.5 NCC(=O)c1ccc(cc1)SC 1P00JT3J [0,2,0,0,0,0|1,0,1]=4 3968 B12R1.5 NCC(c1ccc(cc1)CC)O 1P00A30I [0,2,0,0,0,0|1,0,0]=3 3969 B12R1.5 NCC(c1ccc(cc1)CO)N 1P02877C [0,2,0,0,0,0|1,0,0]=3 3970 B12R1.5 NCC(c1ccc(cc1)OC)O 1P00DFVM [0,2,0,0,0,0|1,0,0]=3 3971 B12R1.5 NCC(c1ccc(cc1)OC)O 1P00IAKY [0,2,0,0,0,0|1,0,0]=3 3972 B12R1.5 NC[C@@H](c1ccc(cc1)OC)C 1P027W4K [0,2,0,0,0,0|0,0,0]=2 3973 B12R1.5 NC[C@@H](c1ccc(cc1)OC)O 1P01EMWQ [0,2,0,0,0,0|1,0,0]=3 3974 B12R1.5 NC[C@H](c1ccc(cc1)OC)O 1P028HUT [0,2,0,0,0,0|1,0,0]=3 3975 B12R1.5 NNC(c1ccc(cc1)OC)C 1P01C1KJ [0,2,0,0,0,0|1,0,0]=3 3976 B12R1.5 OCC(c1ccc(cc1)CC)N 1P01A2YP [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.5 OCC(c1ccc(cc1)OC)C 1P01A4H4 [0,2,0,0,0,0|1,0,0]=3 3978 B12R1.5 OCC(c1ccc(cc1)OC)N 1P0019JC [0,2,0,0,0,0|2,0,0]=4 3979 B12R1.5 OCC(c1ccc(cc1)OC)N 1P009I3X [0,2,0,0,0,0|2,0,0]=4 3980 B12R1.5 OCC(c1ccc(cc1)SC)N 1P00IGW9 [0,2,0,0,0,0|2,0,0]=4 3981 B12R1.5 OC[C@@H](c1ccc(cc1)OC)N 1P00BGMC [0,2,0,0,0,0|2,0,0]=4 3982 B12R1.5 OC[C@H](c1ccc(cc1)C#N)N 1P024943 [0,2,0,0,0,0|2,0,0]=4 3983 B12R1.5 OC[C@H](c1ccc(cc1)OC)N 1P002FIO [0,2,0,0,0,0|2,0,0]=4 3984 B12R1.5 OC[C@H](c1ccc(cc1)OC)N 1P00I4TP [0,2,0,0,0,0|2,0,0]=4 3985 B12R1.5 ONC(c1ccc(cc1)OC)C 1P01C0NU [0,2,0,0,0,0|2,0,0]=4 3986 B12R1.20 BrC(c1ccc(cc1)F)C(=O)N 1P019Q4F [0,2,0,0,0,0|1,0,1]=4 3987 B12R1.20 CC(C(=O)c1ccc(cc1)Br)N 1P01DX7V [0,2,0,0,0,0|1,0,1]=4 3988 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P00ASTB [0,2,0,0,0,0|2,0,0]=4 3989 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P01AU0J [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJJ [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJK [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.20 CC([C@@H](c1ccc(cc1)C)N)C 1P00A099 [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.20 CC(c1ccc(cc1)Br)C(=O)N 1P01ENFZ [0,2,0,0,0,0|0,0,1]=3 3994 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O 1P00DC2L [0,2,0,0,0,0|1,0,1]=4 3995 B12R1.20 CC(c1ccc(cc1)Br)C(F)F 1P01B2L7 [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O 1P003FCJ [0,2,0,0,0,0|1,0,1]=4 3997 B12R1.20 CC(c1ccc(cc1)F)C(=O)O 1P003FD3 [0,2,0,0,0,0|1,0,1]=4 3998 B12R1.20 CC(c1ccc(cc1)I)C(=O)O 1P00CKVO [0,2,0,0,0,0|1,0,1]=4 3999 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P00EEDL [0,2,0,0,0,0|1,0,1]=4 4000 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P01EM3O [0,2,0,0,0,0|1,0,1]=4 4001 B12R1.20 CN(c1ccc(cc1)O)C(=O)N 1P01AAUZ [0,2,0,0,0,0|1,0,1]=4 4002 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)C(O)=O 1P01KXOO [0,2,0,0,0,0|1,0,1]=4 4003 B12R1.20 C[C@@H](c1ccc(cc1)F)C(=O)O 1P01EKOW [0,2,0,0,0,0|1,0,1]=4 4004 B12R1.20 C[C@@H](c1ccc(cc1)N)C(=O)O 1P023Q4E [0,2,0,0,0,0|1,0,1]=4 4005 B12R1.20 C[C@H](c1ccc(cc1)Br)C(=O)O 1P01KAL6 [0,2,0,0,0,0|1,0,1]=4 4006 B12R1.20 C[C@H](c1ccc(cc1)C)C(=O)O 1P003FDU [0,2,0,0,0,0|1,0,1]=4 4007 B12R1.20 C[C@H](c1ccc(cc1)F)C(=O)O 1P01EKMV [0,2,0,0,0,0|1,0,1]=4 4008 B12R1.20 C[C@H](c1ccc(cc1)N)C(=O)O 1P00KNLZ [0,2,0,0,0,0|1,0,1]=4 4009 B12R1.20 ClC(c1ccc(cc1)Br)C(=O)N 1P01ABIW [0,2,0,0,0,0|1,0,1]=4 4010 B12R1.20 ClC(c1ccc(cc1)F)C(=O)N 1P01AAHM [0,2,0,0,0,0|1,0,1]=4 4011 B12R1.20 FC(C(c1ccc(cc1)F)N)F 1P028P3H [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.20 FC(C(c1ccc(cc1)N)F)F 1P027Y48 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.20 FC([C@@H](c1ccc(cc1)F)N)F 1P028SEY [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.20 FC([C@H](c1ccc(cc1)F)N)F 1P028KBO [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.20 FC(c1ccc(cc1)Br)C(F)F 1P027X2X [0,2,0,0,0,0|2,0,0]=4 4016 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P01A8BO [0,2,0,0,0,0|1,0,1]=4 4017 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P027W1O [0,2,0,0,0,0|1,0,1]=4 4018 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P00BJU0 [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P01E1MR [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P019KLN [0,2,0,0,0,0|1,0,1]=4 4021 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P01AKZ7 [0,2,0,0,0,0|1,0,1]=4 4022 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P003B6F [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P00G4L4 [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.20 NC(c1ccc(cc1)F)C(=O)N 1P00ACGK [0,2,0,0,0,0|1,0,1]=4 4025 B12R1.20 NC(c1ccc(cc1)F)C(C)C 1P00ASSZ [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(C)C 1P00A05V [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(F)F 1P01FJ4M [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.20 N[C@@H](c1ccc(cc1)F)C(C)C 1P009IV0 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.20 N[C@H](c1ccc(cc1)Br)C(C)C 1P00A087 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.20 N[C@H](c1ccc(cc1)Br)C(F)F 1P01FJ4L [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.20 N[C@H](c1ccc(cc1)F)C(C)C 1P009IV2 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.20 N[C@H](c1ccc(cc1)F)[C@@H](O)C 1P024HSB [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.20 OC(=O)C(c1ccc(cc1)O)C 1P003FD8 [0,2,0,0,0,0|1,0,1]=4 4034 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)C 1P01ENKQ [0,2,0,0,0,0|1,0,1]=4 4035 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)C 1P01EQYU [0,2,0,0,0,0|1,0,1]=4 4036 B12R1.20 OC(c1ccc(cc1)Br)C(F)F 1P019EDV [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.20 OC(c1ccc(cc1)Br)C(N)C 1P01A85M [0,2,0,0,0,0|1,0,0]=3 4038 B12R1.20 OC(c1ccc(cc1)Cl)C(C)C 1P01A2GR [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P00BDVF [0,2,0,0,0,0|1,0,0]=3 4040 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P019TKY [0,2,0,0,0,0|1,0,0]=3 4041 B12R1.20 OC(c1ccc(cc1)F)C(N)C 1P01AHY8 [0,2,0,0,0,0|1,0,0]=3 4042 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(F)F 1P0292AE [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.20 O[C@H](c1ccc(cc1)Br)C(F)F 1P028FML [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.367 CCC(c1ccc(c(c1)C)C)N 1P00A09Y [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.367 CCC(c1ccc(c(c1)Cl)Cl)N 1P00CND7 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.367 CCC(c1ccc(c(c1)Cl)Cl)N 1P00GAQH [0,2,0,0,0,0|2,0,0]=4 4047 B12R1.367 CCC(c1ccc(c(c1)F)Br)N 1P0289AZ [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.367 CC[C@@H](c1ccc(c(c1)C)F)O 1P01A4AJ [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.367 CC[C@@H](c1ccc(c(c1)F)C)N 1P00ASS0 [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.367 CC[C@@H](c1ccc(c(c1)F)C)O 1P01A485 [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.367 CC[C@H](c1ccc(c(c1)C)C)N 1P00GA7B [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.367 CC[C@H](c1ccc(c(c1)C)F)O 1P01A46J [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.367 CC[C@H](c1ccc(c(c1)Cl)Cl)O 1P01A28S [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.367 CC[C@H](c1ccc(c(c1)F)C)N 1P00A05Q [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.367 CC[C@H](c1ccc(c(c1)F)C)O 1P01A480 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.367 CNC(c1ccc(c(c1)Cl)Cl)C 1P019M6D [0,2,0,0,0,0|2,0,0]=4 4057 B12R1.367 CNC(c1ccc(c(c1)F)F)C 1P019KZS [0,2,0,0,0,0|2,0,0]=4 4058 B12R1.367 ClCC(c1ccc(c(c1)Cl)Cl)O 1P00I9XS [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.367 ClCC(c1ccc(c(c1)F)F)O 1P00E29M [0,2,0,0,0,0|2,0,0]=4 4060 B12R1.367 ClC[C@@H](c1ccc(c(c1)Cl)Cl)O 1P00C1S4 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.367 ClC[C@@H](c1ccc(c(c1)F)F)O 1P00AAF5 [0,2,0,0,0,0|2,0,0]=4 4062 B12R1.367 ClC[C@H](c1ccc(c(c1)F)F)O 1P0002ZR [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.367 N#CC(c1ccc(c(c1)F)Br)C 1P023PD6 [0,2,0,0,0,0|0,0,2]=4 4064 B12R1.367 N#CC(c1ccc(c(c1)F)F)C 1P01EK8A [0,2,0,0,0,0|0,0,2]=4 4065 B12R1.367 NCC(=O)c1ccc(c(c1)Br)C 1P028KCM [0,2,0,0,0,0|1,0,1]=4 4066 B12R1.367 NCC(=O)c1ccc(c(c1)Br)F 1P028AEK [0,2,0,0,0,0|1,0,1]=4 4067 B12R1.367 NCC(=O)c1ccc(c(c1)Cl)Cl 1P0074J3 [0,2,0,0,0,0|1,0,1]=4 4068 B12R1.367 NCC(=O)c1ccc(c(c1)Cl)F 1P028AID [0,2,0,0,0,0|1,0,1]=4 4069 B12R1.367 NCC(=O)c1ccc(c(c1)F)Br 1P000RJ2 [0,2,0,0,0,0|1,0,1]=4 4070 B12R1.367 NCC(=O)c1ccc(c(c1)F)F 1P00HGB2 [0,2,0,0,0,0|1,0,1]=4 4071 B12R1.367 NCC(c1ccc(c(c1)C)C)F 1P01EIOU [0,2,0,0,0,0|1,0,0]=3 4072 B12R1.367 NCC(c1ccc(c(c1)C)C)O 1P00G3JW [0,2,0,0,0,0|1,0,0]=3 4073 B12R1.367 NCC(c1ccc(c(c1)C)F)O 1P028ZHF [0,2,0,0,0,0|1,0,0]=3 4074 B12R1.367 NCC(c1ccc(c(c1)Cl)Cl)C 1P0283YK [0,2,0,0,0,0|0,0,0]=2 4075 B12R1.367 NCC(c1ccc(c(c1)Cl)Cl)N 1P0251I9 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.367 NCC(c1ccc(c(c1)Cl)Cl)O 1P00CLHF [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.367 NCC(c1ccc(c(c1)Cl)F)C 1P0284NT [0,2,0,0,0,0|0,0,0]=2 4078 B12R1.367 NCC(c1ccc(c(c1)F)C)O 1P017KUQ [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.367 NCC(c1ccc(c(c1)F)Cl)O 1P01A3WP [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.367 NCC(c1ccc(c(c1)F)F)C 1P019TBI [0,2,0,0,0,0|0,0,0]=2 4081 B12R1.367 NCC(c1ccc(c(c1)F)F)O 1P0004Z7 [0,2,0,0,0,0|1,0,0]=3 4082 B12R1.367 NCC(c1ccc(c(c1)F)F)O 1P01B6VK [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.367 NCC(c1ccc(c(c1)O)O)O 1P00189K [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.367 NCC(c1ccc(c(c1)O)O)O 1P003QB2 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.367 NCC(c1ccc(c(c1)O)O)O 1P01DQI9 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.367 NC[C@@H](c1ccc(c(c1)Br)F)O 1P028NMZ [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.367 NC[C@@H](c1ccc(c(c1)O)O)O 1P00C15O [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.367 NC[C@@H](c1ccc(c(c1)O)O)O 1P00IKXZ [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.367 NC[C@@H](c1ccc(c(c1)O)O)O 1P01BIAW [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.367 NC[C@H](c1ccc(c(c1)Br)F)O 1P028Q4Y [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.367 NC[C@H](c1ccc(c(c1)O)O)O 1P003CYP [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.367 O=CC(c1ccc(c(c1)Cl)Br)C 1P028XNF [0,2,0,0,0,0|1,0,1]=4 4093 B12R1.367 OCC(c1ccc(c(c1)C)Br)N 1P027WYT [0,2,0,0,0,0|2,0,0]=4 4094 B12R1.367 OCC(c1ccc(c(c1)C)C)N 1P00GSDH [0,2,0,0,0,0|2,0,0]=4 4095 B12R1.367 OCC(c1ccc(c(c1)Cl)Br)N 1P028Z2O [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.367 OCC(c1ccc(c(c1)Cl)Cl)C 1P01A55C [0,2,0,0,0,0|1,0,0]=3 4097 B12R1.367 OCC(c1ccc(c(c1)Cl)Cl)Cl 1P008AZD [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.367 OCC(c1ccc(c(c1)Cl)Cl)N 1P00AQUE [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.367 OCC(c1ccc(c(c1)Cl)F)N 1P028Q9I [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.367 OCC(c1ccc(c(c1)F)Br)N 1P01ALUS [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.367 OCC(c1ccc(c(c1)F)Cl)N 1P000NFZ [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.367 OCC(c1ccc(c(c1)F)Cl)N 1P01A4Q4 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.367 OCC(c1ccc(c(c1)F)Cl)O 1P01B8L2 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.367 OCC(c1ccc(c(c1)O)O)O 1P002X3Q [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.367 OC[C@@H](c1ccc(c(c1)Br)Cl)N 1P01XCT5 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.367 OC[C@@H](c1ccc(c(c1)Br)F)N 1P028O6I [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.367 OC[C@@H](c1ccc(c(c1)F)Cl)O 1P00AC62 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.367 OC[C@H](c1ccc(c(c1)Br)Cl)N 1P01KL2L [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.367 OC[C@H](c1ccc(c(c1)Br)F)N 1P028VYQ [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.367 OC[C@H](c1ccc(c(c1)Cl)Cl)N 1P001TLA [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.367 OC[C@H](c1ccc(c(c1)Cl)Cl)N 1P01DEBH [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.367 OC[C@H](c1ccc(c(c1)Cl)F)N 1P00DLYZ [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.367 OC[C@H](c1ccc(c(c1)Cl)F)N 1P00HS32 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.367 OC[C@H](c1ccc(c(c1)F)F)N 1P009ZQE [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.1703 CCC(c1ccc(cc1C)C)N 1P00A09W [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.1703 CCC(c1ccc(cc1Cl)Cl)Br 1P01AN4A [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.1703 CCC(c1ccc(cc1F)Cl)O 1P01A49D [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.1703 CCC(c1ccc(cc1F)F)Br 1P01A7HL [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.1703 CCC(c1ccc(cc1F)F)Cl 1P01AKCZ [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.1703 CCC(c1ccc(cc1F)F)N 1P00EM0D [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.1703 CCC(c1ccc(cc1F)F)O 1P01AKB1 [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.1703 CC[C@@H](c1ccc(cc1C)C)N 1P0039RS [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.1703 CC[C@H](c1ccc(cc1F)F)N 1P000O26 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.1703 CNC(c1ccc(cc1C)C)C 1P019MEG [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.1703 CNC(c1ccc(cc1Cl)Cl)C 1P019LY2 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.1703 ClCC(c1ccc(cc1Cl)Cl)O 1P0070QB [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.1703 ClC[C@@H](c1ccc(cc1Cl)Cl)O 1P000EVC [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.1703 ClC[C@H](c1ccc(cc1Cl)Cl)O 1P000TCJ [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.1703 FCC(c1ccc(cc1F)F)N 1P028PKC [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.1703 FCC(c1ccc(cc1F)F)O 1P01FI6I [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.1703 N#CC(c1ccc(cc1F)F)C 1P01EK9L [0,2,0,0,0,0|0,0,2]=4 4132 B12R1.1703 NCC(=C)c1ccc(cc1F)F 1P028BF6 [0,2,0,0,0,0|0,0,2]=4 4133 B12R1.1703 NCC(=O)c1ccc(cc1Br)F 1P028AEW [0,2,0,0,0,0|1,0,1]=4 4134 B12R1.1703 NCC(=O)c1ccc(cc1Cl)Cl 1P00EG06 [0,2,0,0,0,0|1,0,1]=4 4135 B12R1.1703 NCC(=O)c1ccc(cc1Cl)F 1P01BY0G [0,2,0,0,0,0|1,0,1]=4 4136 B12R1.1703 NCC(=O)c1ccc(cc1F)Br 1P023R3T [0,2,0,0,0,0|1,0,1]=4 4137 B12R1.1703 NCC(=O)c1ccc(cc1F)Cl 1P01BXWE [0,2,0,0,0,0|1,0,1]=4 4138 B12R1.1703 NCC(=O)c1ccc(cc1F)F 1P005988 [0,2,0,0,0,0|1,0,1]=4 4139 B12R1.1703 NCC(C1=CC=C(Cl)C=C1Cl)F 1P01KF47 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.1703 NCC(c1ccc(cc1C)C)F 1P028UHJ [0,2,0,0,0,0|1,0,0]=3 4141 B12R1.1703 NCC(c1ccc(cc1Cl)Cl)O 1P01AHRC [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.1703 NCC(c1ccc(cc1F)Br)C 1P027XNF [0,2,0,0,0,0|0,0,0]=2 4143 B12R1.1703 NCC(c1ccc(cc1F)F)C 1P019TBJ [0,2,0,0,0,0|0,0,0]=2 4144 B12R1.1703 NCC(c1ccc(cc1F)F)O 1P006XQJ [0,2,0,0,0,0|1,0,0]=3 4145 B12R1.1703 NCC(c1ccc(cc1F)F)O 1P01AC0C [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.1703 NC[C@@H](c1ccc(cc1F)F)O 1P028K8O [0,2,0,0,0,0|1,0,0]=3 4147 B12R1.1703 NN[C@@H](c1ccc(cc1Cl)Cl)C 1P01LIRW [0,2,0,0,0,0|1,0,0]=3 4148 B12R1.1703 O=CC(c1ccc(cc1F)F)C 1P0290VC [0,2,0,0,0,0|1,0,1]=4 4149 B12R1.1703 OCC(c1ccc(cc1C)C)N 1P00IGW7 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.1703 OCC(c1ccc(cc1Cl)Cl)N 1P01DN1Z [0,2,0,0,0,0|2,0,0]=4 4151 B12R1.1703 OCC(c1ccc(cc1Cl)Cl)N 1P01DUPO [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.1703 OCC(c1ccc(cc1F)Br)N 1P027U78 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.1703 OCC(c1ccc(cc1F)Cl)N 1P0288AU [0,2,0,0,0,0|2,0,0]=4 4154 B12R1.1703 OCC(c1ccc(cc1F)F)N 1P01B7DD [0,2,0,0,0,0|2,0,0]=4 4155 B12R1.1703 OCC(c1ccc(cc1F)F)N 1P01B7DE [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.1703 OC[C@@H](c1ccc(cc1Br)Cl)N 1P028GIJ [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.1703 OC[C@@H](c1ccc(cc1C)Br)N 1P01XDGW [0,2,0,0,0,0|2,0,0]=4 4158 B12R1.1703 OC[C@@H](c1ccc(cc1C)Cl)N 1P0287VV [0,2,0,0,0,0|2,0,0]=4 4159 B12R1.1703 OC[C@@H](c1ccc(cc1Cl)Br)N 1P01KKTN [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.1703 OC[C@@H](c1ccc(cc1O)F)N 1P01DUOY [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.1703 OC[C@H](c1ccc(cc1Br)Cl)N 1P028HR6 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.1703 OC[C@H](c1ccc(cc1C)Br)N 1P01KL9B [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.1703 OC[C@H](c1ccc(cc1C)F)N 1P01DUPN [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.1703 OC[C@H](c1ccc(cc1Cl)Br)N 1P01KLDG [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.1703 OC[C@H](c1ccc(cc1Cl)Br)N 1P01XCAM [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.1703 OC[C@H](c1ccc(cc1Cl)Cl)N 1P001AVO [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.1703 OC[C@H](c1ccc(cc1Cl)F)N 1P01KLCS [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.1703 OC[C@H](c1ccc(cc1Cl)F)N 1P01XCV9 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.1703 OC[C@H](c1ccc(cc1F)F)N 1P01JV4Z [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.24 CCC(c1cccc(c1F)Cl)O 1P01B1YN [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.24 Cc1c(C(CO)N)cccc1F 1P01DUP5 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.24 Cc1c([C@@H](CO)N)cccc1F 1P00I3KX [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.24 Cc1c([C@H](CO)N)cccc1Br 1P028TPI [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.24 Cc1c([C@H](CO)N)cccc1F 1P00I40M [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.24 Cc1cccc(c1Cl)C(CO)N 1P028U10 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.24 NC(c1cccc(c1Cl)Cl)CO 1P01B767 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.24 NC(c1cccc(c1F)Cl)CO 1P01B86U [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.24 NC(c1cccc(c1F)F)CO 1P0284WV [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.24 NC(c1cccc(c1O)Br)CO 1P024HFJ [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.24 NCC(=O)c1cccc(c1Cl)Cl 1P009O33 [0,2,0,0,0,0|1,0,1]=4 4181 B12R1.24 NCC(=O)c1cccc(c1Cl)F 1P01BXWH [0,2,0,0,0,0|1,0,1]=4 4182 B12R1.24 NCC(=O)c1cccc(c1F)F 1P01C0Q6 [0,2,0,0,0,0|1,0,1]=4 4183 B12R1.24 NCC(c1cccc(c1Br)F)O 1P028WCQ [0,2,0,0,0,0|1,0,0]=3 4184 B12R1.24 NCC(c1cccc(c1Cl)Cl)O 1P00A30U [0,2,0,0,0,0|1,0,0]=3 4185 B12R1.24 N[C@@H](c1cccc(c1F)Cl)CO 1P00HVUJ [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.24 OC(c1cccc(c1Cl)Cl)CO 1P01BW3Y [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.225 CC(C(c1cccc(c1)Cl)O)N 1P01BB2A [0,2,0,0,0,0|1,0,0]=3 4188 B12R1.225 CC(C(c1cccc(c1)F)O)N 1P019UH2 [0,2,0,0,0,0|1,0,0]=3 4189 B12R1.225 CC([C@@H](c1cccc(c1)Br)N)C 1P01JV63 [0,2,0,0,0,0|2,0,0]=4 4190 B12R1.225 CC([C@H](c1cccc(c1)Br)N)C 1P01DUNA [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.225 CC([C@H](c1cccc(c1)Cl)N)C 1P009GUD [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.225 CC([C@H](c1cccc(c1)Cl)N)C 1P00A09L [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.225 CN(C(c1cccc(c1)O)C)C 1P00HB4N [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.225 CN([C@@H](c1cccc(c1)O)C)C 1P004RUZ [0,2,0,0,0,0|2,0,0]=4 4195 B12R1.225 CN([C@H](c1cccc(c1)O)C)C 1P001B70 [0,2,0,0,0,0|2,0,0]=4 4196 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N 1P01CCPX [0,2,0,0,0,0|1,0,0]=3 4197 B12R1.225 Clc1cccc(c1)C(=O)C(N)C 1P01XF2C [0,2,0,0,0,0|1,0,1]=4 4198 B12R1.225 FC(C(c1cccc(c1)Br)C)F 1P01B4FC [0,2,0,0,0,0|1,0,0]=3 4199 B12R1.225 FC(C(c1cccc(c1)Br)O)F 1P028WH1 [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.225 FC(C(c1cccc(c1)Cl)N)F 1P01BIE6 [0,2,0,0,0,0|2,0,0]=4 4201 B12R1.225 FC([C@@H](c1cccc(c1)F)O)F 1P028KAL [0,2,0,0,0,0|2,0,0]=4 4202 B12R1.225 FC([C@H](c1cccc(c1)Cl)O)F 1P028L5P [0,2,0,0,0,0|2,0,0]=4 4203 B12R1.225 FC([C@H](c1cccc(c1)F)O)F 1P028LCA [0,2,0,0,0,0|2,0,0]=4 4204 B12R1.225 NC(=O)C(c1cccc(c1)Br)Cl 1P01A3ZO [0,2,0,0,0,0|1,0,1]=4 4205 B12R1.225 NC(=O)C(c1cccc(c1)Br)N 1P01A8CC [0,2,0,0,0,0|1,0,1]=4 4206 B12R1.225 NC(=O)C(c1cccc(c1)F)N 1P01KKY3 [0,2,0,0,0,0|1,0,1]=4 4207 B12R1.225 Nc1cccc(c1)N(C(=O)N)C 1P01BG21 [0,2,0,0,0,0|1,0,1]=4 4208 B12R1.225 Nc1cccc(c1)N(C(C)C)C 1P01AHL3 [0,2,0,0,0,0|2,0,0]=4 4209 B12R1.225 OC(=O)C(c1cccc(c1)Br)C 1P00I9XV [0,2,0,0,0,0|1,0,1]=4 4210 B12R1.225 OC(=O)C(c1cccc(c1)C)C 1P00ICWE [0,2,0,0,0,0|1,0,1]=4 4211 B12R1.225 OC(=O)C(c1cccc(c1)Cl)C 1P009BXZ [0,2,0,0,0,0|1,0,1]=4 4212 B12R1.225 OC(=O)C(c1cccc(c1)F)C 1P00IBYO [0,2,0,0,0,0|1,0,1]=4 4213 B12R1.225 OC(=O)C(c1cccc(c1)N)C 1P01C65S [0,2,0,0,0,0|1,0,1]=4 4214 B12R1.225 OC(=O)[C@@H](c1cccc(c1)C)C 1P00BI8D [0,2,0,0,0,0|1,0,1]=4 4215 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)C 1P01DWG0 [0,2,0,0,0,0|1,0,1]=4 4216 B12R1.225 OC(=O)[C@H](c1cccc(c1)C)C 1P00EKI5 [0,2,0,0,0,0|1,0,1]=4 4217 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)C 1P01DZBP [0,2,0,0,0,0|1,0,1]=4 4218 B12R1.225 [O-][N+](=O)C(c1cccc(c1)F)C 1P028BFZ [0,2,0,0,0,0|2,0,0]=4 4219 B12R1.354 CC(c1cc(F)ccc1F)NC 1P019MEI [0,2,0,0,0,0|2,0,0]=4 4220 B12R1.354 CC(c1cc(N)ccc1O)CC 1P01FIA5 [0,2,0,0,0,0|1,0,0]=3 4221 B12R1.354 CCC(c1cc(C)ccc1C)N 1P01BXX4 [0,2,0,0,0,0|2,0,0]=4 4222 B12R1.354 CCC(c1cc(Cl)ccc1Cl)N 1P00J1AK [0,2,0,0,0,0|2,0,0]=4 4223 B12R1.354 CCC(c1cc(F)ccc1F)N 1P00A0A0 [0,2,0,0,0,0|2,0,0]=4 4224 B12R1.354 CC[C@@H](c1cc(F)ccc1F)N 1P001AUD [0,2,0,0,0,0|2,0,0]=4 4225 B12R1.354 CNC(c1cc(C)ccc1C)C 1P01AKAM [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.354 Cc1cc(C(CN)O)c(cc1)F 1P028XB2 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.354 Cc1cc(C(CO)N)c(cc1)F 1P028VUX [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.354 Cc1cc([C@H](CO)N)c(cc1)F 1P01XDER [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.354 Cc1ccc(cc1C(CC)O)Cl 1P019FBQ [0,2,0,0,0,0|2,0,0]=4 4230 B12R1.354 FC[C@@H](c1cc(F)ccc1F)O 1P02885I [0,2,0,0,0,0|2,0,0]=4 4231 B12R1.354 FC[C@H](c1cc(F)ccc1F)O 1P028IHA [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.354 NC(c1cc(Br)ccc1F)CO 1P01X074 [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.354 NC(c1cc(Cl)ccc1Cl)CO 1P01JV7A [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.354 NC(c1cc(Cl)ccc1Cl)CO 1P01KKKH [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.354 NC(c1cc(Cl)ccc1F)CO 1P027TNT [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.354 NC(c1cc(F)ccc1F)CO 1P019X0E [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.354 NCC(=O)c1cc(Cl)ccc1F 1P01C0NA [0,2,0,0,0,0|1,0,1]=4 4238 B12R1.354 N[C@@H](c1cc(Cl)ccc1Cl)CO 1P01JV57 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.354 N[C@@H](c1cc(Cl)ccc1Cl)CO 1P01JV7C [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.354 N[C@@H](c1cc(F)ccc1Cl)CO 1P01JV4O [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.354 N[C@@H](c1cc(F)ccc1Cl)CO 1P01KKET [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.354 N[C@@H](c1cc(F)ccc1F)CO 1P00232C [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.354 N[C@H](c1cc(Cl)ccc1Cl)CO 1P01JV56 [0,2,0,0,0,0|2,0,0]=4 4244 B12R1.354 N[C@H](c1cc(F)ccc1F)CO 1P00I40J [0,2,0,0,0,0|2,0,0]=4 4245 B12R1.358 CC(c1cc(C)cc(c1)C)C#N 1P0288W5 [0,2,0,0,0,0|0,0,2]=4 4246 B12R1.358 CC(c1cc(F)cc(c1)F)C#N 1P01EK8P [0,2,0,0,0,0|0,0,2]=4 4247 B12R1.358 CCC(c1cc(C)cc(c1)C)N 1P01FJQO [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.358 CCC(c1cc(Cl)cc(c1)Cl)O 1P01DZ51 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.358 CCC(c1cc(F)cc(c1)Br)N 1P01AG19 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.358 CC[C@@H](c1cc(F)cc(c1)F)N 1P009IUO [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.358 CC[C@@H](c1cc(F)cc(c1)F)N 1P01KL5Q [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.358 CC[C@H](c1cc(Cl)cc(c1)Cl)N 1P024G1J [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.358 FC1=CC(Cl)=CC([C@H](N)CO)=C1 1P01K42K [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.358 NCC(=C)c1cc(F)cc(c1)F 1P028BDM [0,2,0,0,0,0|0,0,2]=4 4255 B12R1.358 NCC(=O)c1cc(Cl)cc(c1)Br 1P01ELO9 [0,2,0,0,0,0|1,0,1]=4 4256 B12R1.358 NCC(=O)c1cc(F)cc(c1)F 1P0092VG [0,2,0,0,0,0|1,0,1]=4 4257 B12R1.358 NCC(c1cc(C)cc(c1)C)C 1P0281HD [0,2,0,0,0,0|0,0,0]=2 4258 B12R1.358 NCC(c1cc(C)cc(c1)C)O 1P01B9HU [0,2,0,0,0,0|1,0,0]=3 4259 B12R1.358 NCC(c1cc(Cl)cc(c1)Cl)O 1P00G4I7 [0,2,0,0,0,0|1,0,0]=3 4260 B12R1.358 NCC(c1cc(F)cc(c1)Cl)O 1P01BG2Z [0,2,0,0,0,0|1,0,0]=3 4261 B12R1.358 NCC(c1cc(F)cc(c1)F)C 1P01EIMY [0,2,0,0,0,0|0,0,0]=2 4262 B12R1.358 NCC(c1cc(F)cc(c1)F)O 1P00A2S5 [0,2,0,0,0,0|1,0,0]=3 4263 B12R1.358 NCC(c1cc(F)cc(c1)F)O 1P027YMW [0,2,0,0,0,0|1,0,0]=3 4264 B12R1.358 NC[C@@H](c1cc(Cl)cc(c1)Br)O 1P0287Q5 [0,2,0,0,0,0|1,0,0]=3 4265 B12R1.358 NC[C@H](c1cc(Cl)cc(c1)Br)O 1P0281BR [0,2,0,0,0,0|1,0,0]=3 4266 B12R1.358 OCC(c1cc(C)cc(c1)C)N 1P01FIAC [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.358 OCC(c1cc(C)cc(c1)C)N 1P01JV7D [0,2,0,0,0,0|2,0,0]=4 4268 B12R1.358 OCC(c1cc(C)cc(c1)C)O 1P01BMEQ [0,2,0,0,0,0|2,0,0]=4 4269 B12R1.358 OCC(c1cc(Cl)cc(c1)Cl)N 1P003GT4 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.358 OCC(c1cc(Cl)cc(c1)Cl)N 1P01DUMR [0,2,0,0,0,0|2,0,0]=4 4271 B12R1.358 OCC(c1cc(Cl)cc(c1)Cl)O 1P028WNR [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.358 OCC(c1cc(F)cc(c1)F)N 1P01DE8F [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.358 OCC(c1cc(F)cc(c1)F)O 1P028MLH [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.358 OC[C@@H](c1cc(Br)cc(c1)Br)N 1P01XD1P [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.358 OC[C@@H](c1cc(Br)cc(c1)Br)N 1P01XDIR [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.358 OC[C@@H](c1cc(C)cc(c1)Br)N 1P028SGE [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.358 OC[C@@H](c1cc(C)cc(c1)C)N 1P01KL0L [0,2,0,0,0,0|2,0,0]=4 4278 B12R1.358 OC[C@@H](c1cc(Cl)cc(c1)Br)N 1P028UWV [0,2,0,0,0,0|2,0,0]=4 4279 B12R1.358 OC[C@@H](c1cc(F)cc(c1)Cl)N 1P01XD2E [0,2,0,0,0,0|2,0,0]=4 4280 B12R1.358 OC[C@@H](c1cc(F)cc(c1)Cl)N 1P020LW5 [0,2,0,0,0,0|2,0,0]=4 4281 B12R1.358 OC[C@@H](c1cc(F)cc(c1)F)N 1P00I408 [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.358 OC[C@@H](c1cc(F)cc(c1)F)N 1P00IJUY [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.358 OC[C@H](c1cc(Br)cc(c1)Br)N 1P01XCKQ [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.358 OC[C@H](c1cc(Br)cc(c1)Br)N 1P01XCM5 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.358 OC[C@H](c1cc(C)cc(c1)Br)N 1P028TNA [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.358 OC[C@H](c1cc(C)cc(c1)C)N 1P01JV7E [0,2,0,0,0,0|2,0,0]=4 4287 B12R1.358 OC[C@H](c1cc(Cl)cc(c1)Br)N 1P024FZH [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.358 OC[C@H](c1cc(F)cc(c1)Br)N 1P01DUPW [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.358 OC[C@H](c1cc(F)cc(c1)Cl)N 1P009W1D [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.358 OC[C@H](c1cc(F)cc(c1)F)N 1P009ZQF [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.435 BrCC(c1cccc(c1)OC)F 1P01DZF5 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.435 CCC(c1cccc(c1)OC)Br 1P02855K [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.435 CCC(c1cccc(c1)OC)N 1P01ASWT [0,2,0,0,0,0|2,0,0]=4 4294 B12R1.435 CCC(c1cccc(c1)OC)O 1P00DC25 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.435 CC[C@@H](C1=CC=CC(OC)=C1)N 1P01JYYC [0,2,0,0,0,0|2,0,0]=4 4296 B12R1.435 CC[C@@H](c1cccc(c1)C#N)N 1P01KKU9 [0,2,0,0,0,0|2,0,0]=4 4297 B12R1.435 CC[C@H](c1cccc(c1)C#N)N 1P000O27 [0,2,0,0,0,0|2,0,0]=4 4298 B12R1.435 CC[C@H](c1cccc(c1)OC)N 1P00E9ML [0,2,0,0,0,0|2,0,0]=4 4299 B12R1.435 CC[C@H](c1cccc(c1)OC)N 1P00IE70 [0,2,0,0,0,0|2,0,0]=4 4300 B12R1.435 CNC(c1cccc(c1)C#N)C 1P01C4JD [0,2,0,0,0,0|2,0,0]=4 4301 B12R1.435 CNC(c1cccc(c1)OC)C 1P0073DA [0,2,0,0,0,0|2,0,0]=4 4302 B12R1.435 CN[C@@H](c1cccc(c1)C#N)C 1P024HMP [0,2,0,0,0,0|2,0,0]=4 4303 B12R1.435 FCC(c1cccc(c1)C#N)N 1P01FJX2 [0,2,0,0,0,0|2,0,0]=4 4304 B12R1.435 FCC(c1cccc(c1)C#N)O 1P01FI6K [0,2,0,0,0,0|2,0,0]=4 4305 B12R1.435 FCC(c1cccc(c1)OC)N 1P01BWZR [0,2,0,0,0,0|2,0,0]=4 4306 B12R1.435 FCC(c1cccc(c1)OC)O 1P01EAR7 [0,2,0,0,0,0|2,0,0]=4 4307 B12R1.435 N#CC(c1cccc(c1)OC)C 1P019X8Q [0,2,0,0,0,0|0,0,2]=4 4308 B12R1.435 NCC(=O)c1cccc(c1)C#N 1P00DLSP [0,2,0,0,0,0|1,0,1]=4 4309 B12R1.435 NCC(c1cccc(c1)C#N)O 1P01B4YU [0,2,0,0,0,0|1,0,0]=3 4310 B12R1.435 NCC(c1cccc(c1)OC)O 1P00BGPI [0,2,0,0,0,0|1,0,0]=3 4311 B12R1.435 NCC(c1cccc(c1)OC)O 1P01AIO7 [0,2,0,0,0,0|1,0,0]=3 4312 B12R1.435 NC[C@@H](c1cccc(c1)C#N)O 1P01B8S4 [0,2,0,0,0,0|1,0,0]=3 4313 B12R1.435 NC[C@@H](c1cccc(c1)C#N)O 1P01B8S5 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.435 NC[C@H](c1cccc(c1)C#N)O 1P027TSZ [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.435 O=CC(c1cccc(c1)OC)C 1P020M0V [0,2,0,0,0,0|1,0,1]=4 4316 B12R1.435 OCC(c1cccc(c1)C#N)N 1P01X7LF [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.435 OCC(c1cccc(c1)OC)N 1P0092VI [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.435 OCC(c1cccc(c1)OC)N 1P00CIU6 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.435 OCC(c1cccc(c1)OC)O 1P01BWAF [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.435 OC[C@@H](c1cccc(c1)C#N)N 1P00HI5I [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.435 OC[C@@H](c1cccc(c1)OC)N 1P00GAON [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.435 OC[C@@H](c1cccc(c1)OC)N 1P01B69A [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.435 OC[C@@H](c1cccc(c1)SC)N 1P01KLAJ [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.435 OC[C@H](c1cccc(c1)OC)N 1P009ZQG [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.435 OC[C@H](c1cccc(c1)SC)N 1P01ENIX [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.124 CC(C(c1ccccc1C)N)C 1P00H3U4 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.124 CC(C(c1ccccc1C)O)C 1P01AVHH [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.124 CC(C(c1ccccc1Cl)C)N 1P01EINU [0,2,0,0,0,0|0,0,0]=2 4329 B12R1.124 CC(C(c1ccccc1Cl)N)C 1P01AIZL [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.124 CC(C(c1ccccc1F)N)O 1P01C4Q9 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.124 CC(C(c1ccccc1F)O)N 1P019TD7 [0,2,0,0,0,0|1,0,0]=3 4332 B12R1.124 CC(C(c1ccccc1N)N)C 1P01A3I1 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.124 CC(C(c1ccccc1N)O)C 1P01A3G6 [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.124 CC(N(c1ccccc1N)C)C 1P01BHXK [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.124 CN([C@H](c1ccccc1[S-])C)C 1P028J2E [0,2,0,0,0,0|2,0,0]=4 4336 B12R1.124 FC([C@@H](c1ccccc1F)O)F 1P0286PK [0,2,0,0,0,0|2,0,0]=4 4337 B12R1.124 FC([C@H](c1ccccc1F)O)F 1P028GCH [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AE8U [0,2,0,0,0,0|1,0,1]=4 4339 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AJXQ [0,2,0,0,0,0|1,0,1]=4 4340 B12R1.124 OC(=O)C(c1ccccc1Br)C 1P00AOE4 [0,2,0,0,0,0|1,0,1]=4 4341 B12R1.124 OC(=O)C(c1ccccc1C)C 1P01A6R5 [0,2,0,0,0,0|1,0,1]=4 4342 B12R1.124 OC(=O)C(c1ccccc1Cl)C 1P007PJ7 [0,2,0,0,0,0|1,0,1]=4 4343 B12R1.124 OC(=O)C(c1ccccc1F)C 1P00FH6T [0,2,0,0,0,0|1,0,1]=4 4344 B12R1.564 BrC(C(C)(C)C)c1ccccc1 1P01EM8R [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.564 BrC(C(F)(F)F)c1ccccc1 1P00DM1K [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.564 CC(C(C)(C)C)c1ccccc1 1P002GLK [0,2,0,0,0,0|1,0,0]=3 4347 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P00DIQQ [0,2,0,0,0,0|0,0,0]=2 4348 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P01DWYN [0,2,0,0,0,0|0,0,0]=2 4349 B12R1.564 CC(C(O)(C)C)c1ccccc1 1P00CZW7 [0,2,0,0,0,0|1,0,0]=3 4350 B12R1.564 CC(S(=O)(=O)F)c1ccccc1 1P01AJCH [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.564 CC(S(=O)(=O)N)c1ccccc1 1P01AK23 [0,2,0,0,0,0|1,0,0]=3 4352 B12R1.564 CC(S(=O)(=O)N)c1ccccn1 1P01B26F [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.564 CN(S(=O)(=O)N)c1ccccc1 1P000XZZ [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.564 C[C@@H](S(=O)(=O)N)c1ccccc1 1P0289IF [0,2,0,0,0,0|1,0,0]=3 4355 B12R1.564 C[C@H](S(=O)(=O)N)c1ccccc1 1P0289EE [0,2,0,0,0,0|1,0,0]=3 4356 B12R1.564 C[CH-]([B+3]([F-])([F-])[F-])c1ccccc1 1P01RATF [0,2,0,0,0,0|2,0,0]=4 4357 B12R1.564 ClC(C(C)(C)C)c1ccccc1 1P001YRW [0,2,0,0,0,0|2,0,0]=4 4358 B12R1.564 ClC(C(F)(F)C)c1ccccc1 1P028DKC [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.564 FC(C(N)(C)C)c1ccccc1 1P01EINX [0,2,0,0,0,0|1,0,0]=3 4360 B12R1.564 NC(C(C)(C)C)c1ccccc1 1P003FS0 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.564 NC(C(C)(C)C)c1ccccc1 1P01KKWU [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.564 NC(C(F)(F)C)c1ccccc1 1P028HVC [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.564 NC(C(F)(F)F)c1ccccc1 1P0012F9 [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.564 NC(C(F)(F)F)c1ccccc1 1P003FNM [0,2,0,0,0,0|2,0,0]=4 4365 B12R1.564 NC(C(O)(C)C)c1ccccc1 1P028IVZ [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.564 N[C@@H](C(C)(C)C)c1ccccc1 1P0095XW [0,2,0,0,0,0|2,0,0]=4 4367 B12R1.564 N[C@@H](C(F)(F)F)c1ccccc1 1P002IT9 [0,2,0,0,0,0|2,0,0]=4 4368 B12R1.564 N[C@@H](C(F)(F)F)c1ccccc1 1P00BDAW [0,2,0,0,0,0|2,0,0]=4 4369 B12R1.564 N[C@@H](C(O)(C)C)c1ccccc1 1P01SH24 [0,2,0,0,0,0|2,0,0]=4 4370 B12R1.564 N[C@H](C(C)(C)C)c1ccccc1 1P002F75 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.564 N[C@H](C(F)(F)F)c1ccccc1 1P000YIL [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.564 N[C@H](C(F)(F)F)c1ccccc1 1P00EAFD [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.564 N[C@H](C(O)(C)C)c1ccccc1 1P001YGJ [0,2,0,0,0,0|2,0,0]=4 4374 B12R1.564 O=C(C(N)(C)C)c1ccccc1 1P00ICEO [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.564 OC(C(Cl)(Cl)Cl)c1ccccc1 1P002CYU [0,2,0,0,0,0|2,0,0]=4 4376 B12R1.564 OC(C(F)(F)C)c1ccccc1 1P027U3H [0,2,0,0,0,0|2,0,0]=4 4377 B12R1.564 OC(C(F)(F)F)c1ccccc1 1P003F2M [0,2,0,0,0,0|2,0,0]=4 4378 B12R1.564 OC(C(N)(C)C)c1ccccc1 1P00COTA [0,2,0,0,0,0|1,0,0]=3 4379 B12R1.564 O[C@@H](C(F)(F)F)c1ccccc1 1P003CJY [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.564 O[C@H](C(F)(F)F)c1ccccc1 1P003CYA [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.77 CCC(c1ccccc1CCl)C 1P029021 [0,2,0,0,0,0|1,0,0]=3 4382 B12R1.77 CCC(c1ccccc1CO)C 1P027X03 [0,2,0,0,0,0|1,0,0]=3 4383 B12R1.77 CCC(c1ccccc1OC)N 1P0004MG [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.77 CCC(c1ccccc1OC)N 1P024UPL [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.77 CCN(c1ccccc1CN)C 1P01ABY1 [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.77 CC[C@H](c1ccccc1OC)N 1P00E9MK [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.77 CNC(c1ccccc1OC)C 1P00A0AO [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.77 FCC(c1ccccc1OC)N 1P01BWZW [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.77 NCC(=O)c1ccccc1CC 1P0280NB [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.77 NCC(=O)c1ccccc1OC 1P00CNEI [0,2,0,0,0,0|1,0,1]=4 4391 B12R1.77 NCC(c1ccccc1OC)C 1P00ADJL [0,2,0,0,0,0|0,0,0]=2 4392 B12R1.77 NCC(c1ccccc1OC)C 1P0283IZ [0,2,0,0,0,0|0,0,0]=2 4393 B12R1.77 NCC(c1ccccc1OC)N 1P01AI94 [0,2,0,0,0,0|1,0,0]=3 4394 B12R1.77 NCC(c1ccccc1OC)N 1P028R6S [0,2,0,0,0,0|1,0,0]=3 4395 B12R1.77 NCC(c1ccccc1OC)O 1P004QTR [0,2,0,0,0,0|1,0,0]=3 4396 B12R1.77 NCC(c1ccccc1OC)O 1P00DNJ8 [0,2,0,0,0,0|1,0,0]=3 4397 B12R1.77 NCC(c1ncccc1OC)O 1P028FFF [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.77 NC[C@@H](c1ccccc1OC)O 1P01B70K [0,2,0,0,0,0|1,0,0]=3 4399 B12R1.77 NC[C@@H](c1ncccc1OC)O 1P028N8B [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.77 NC[C@H](c1ccccc1OC)O 1P01B7KW [0,2,0,0,0,0|1,0,0]=3 4401 B12R1.77 O=CC(c1ccccc1OC)C 1P028WDY [0,2,0,0,0,0|1,0,1]=4 4402 B12R1.77 OCC(c1ccccc1OC)N 1P0096NE [0,2,0,0,0,0|2,0,0]=4 4403 B12R1.77 OCC(c1ccccc1OC)N 1P01AJG7 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.77 OC[C@@H](c1ccccc1SC)N 1P01JV4B [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.77 OC[C@@H](c1ccccc1SC)N 1P024G2W [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.77 OC[C@H](c1ccccc1OC)N 1P00I6MP [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.3441 CCC(c1c(Cl)cccc1Cl)O 1P00G9BC [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.3441 CCC(c1c(F)cccc1Cl)N 1P01DE4O [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.3441 CCC(c1c(F)cccc1Cl)O 1P01A0YS [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.3441 CCC(c1c(F)cccc1F)O 1P01XCJ7 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.3441 CC[C@@H](c1c(Cl)cccc1Cl)N 1P01DEAG [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.3441 CC[C@@H](c1c(F)cccc1Cl)N 1P01DTWS [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.3441 CC[C@@H](c1c(F)cccc1F)N 1P00164N [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.3441 CC[C@H](c1c(Cl)cccc1Cl)N 1P01DTXE [0,2,0,0,0,0|2,0,0]=4 4415 B12R1.3441 CC[C@H](c1c(F)cccc1F)N 1P000WGB [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.3441 CNC(c1c(F)cccc1F)C 1P019MEC [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.3441 NCC(=O)c1c(Cl)cccc1Cl 1P01B346 [0,2,0,0,0,0|1,0,1]=4 4418 B12R1.3441 NCC(=O)c1c(F)cccc1Cl 1P01C4FJ [0,2,0,0,0,0|1,0,1]=4 4419 B12R1.3441 NCC(=O)c1c(F)cccc1F 1P00JT3M [0,2,0,0,0,0|1,0,1]=4 4420 B12R1.3441 NCC(c1c(Cl)cccc1Cl)C 1P01A9TY [0,2,0,0,0,0|0,0,0]=2 4421 B12R1.3441 NCC(c1c(Cl)cccc1Cl)O 1P00AUOM [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.3441 NCC(c1c(Cl)cccc1Cl)O 1P01AKWA [0,2,0,0,0,0|1,0,0]=3 4423 B12R1.3441 NCC(c1c(F)cccc1Cl)O 1P01AKV4 [0,2,0,0,0,0|1,0,0]=3 4424 B12R1.3441 NCC(c1c(F)cccc1F)N 1P01BY64 [0,2,0,0,0,0|1,0,0]=3 4425 B12R1.3441 NCC(c1c(F)cccc1F)O 1P00A30V [0,2,0,0,0,0|1,0,0]=3 4426 B12R1.3441 NCC(c1c(F)cccc1F)O 1P01AKV7 [0,2,0,0,0,0|1,0,0]=3 4427 B12R1.3441 OCC(c1c(Cl)cccc1Cl)N 1P01BHPG [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.3441 OCC(c1c(Cl)cccc1Cl)N 1P01XCN2 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.3441 OCC(c1c(F)cccc1F)N 1P01AEAA [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.3441 OCC(c1c(F)cccc1F)N 1P01AJ2R [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.3441 OC[C@H](c1c(C)cccc1C)N 1P01KL4M [0,2,0,0,0,0|2,0,0]=4 4432 B10R1.27 NCC(Cc1cccs1)C 1P019Q9M [0,0,1,1,0,0|1,0,1]=4 4433 B10R2.6 C1CC1c2ccccc2 1P008EMK [1,0,0,1,0,0|0,0,0]=2 4434 B10R2.6 C1CC1c2ccncc2 1P01EKJC [1,0,0,1,0,0|1,0,0]=3 4435 B10R2.6 N1CC1c2ccccc2 1P001MKW [1,0,0,1,0,0|0,0,0]=2 4436 B10R2.6 O1CC1c2ccccc2 1P003632 [1,0,0,1,0,0|1,0,0]=3 4437 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [1,0,0,1,0,0|1,0,0]=3 4438 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [1,0,0,1,0,0|1,0,0]=3 4439 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [1,0,0,1,0,0|1,0,0]=3 4440 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [1,0,0,1,0,0|2,0,0]=4 4441 B10R2.6 c1ccc(nc1)C2CO2 1P018SFL [1,0,0,1,0,0|2,0,0]=4 4442 B10R2.320 BrC1Cc2c1cccc2 1P002LO8 [1,0,0,1,0,0|1,0,0]=3 4443 B10R2.320 NC1Cc2c1cccc2 1P002M98 [1,0,0,1,0,0|0,0,0]=2 4444 B10R2.320 O=C1Cc2c1cccc2 1P00C72G [1,0,0,1,0,0|1,0,1]=4 4445 B10R2.320 OC1Cc2c1cccc2 1P00CLUH [1,0,0,1,0,0|1,0,0]=3 4446 B10R2.7 C1Cc2c(C1)cccc2 1P0037N7 [1,0,0,1,0,0|1,0,0]=3 4447 B10R2.7 C1Cc2c(N1)ccnc2 1P002OA9 [1,0,0,1,0,0|1,0,0]=3 4448 B10R2.7 C1Cc2c(N1)ccnc2 1P00EKG2 [1,0,0,1,0,0|1,0,0]=3 4449 B10R2.7 C1Cc2c(N1)cncc2 1P00338T [1,0,0,1,0,0|1,0,0]=3 4450 B10R2.7 C1Cc2c(N1)cncc2 1P009I2T [1,0,0,1,0,0|1,0,0]=3 4451 B10R2.7 C1Cc2c(N1)cncc2 1P00HZ3J [1,0,0,1,0,0|1,0,0]=3 4452 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [1,0,0,1,0,0|1,0,0]=3 4453 B10R2.7 C1Cc2c(N1)ncnc2 1P01BY0P [1,0,0,1,0,0|2,0,0]=4 4454 B10R2.7 C1Cc2c(N1)nncc2 1P027VME [1,0,0,1,0,0|2,0,0]=4 4455 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [1,0,0,1,0,0|1,0,0]=3 4456 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [1,0,0,1,0,0|1,0,0]=3 4457 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5F [1,0,0,1,0,0|2,0,0]=4 4458 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5G [1,0,0,1,0,0|2,0,0]=4 4459 B10R2.7 C1Oc2c(O1)cccc2 1P00I5NN [1,0,0,1,0,0|2,0,0]=4 4460 B10R2.7 C1Sc2c(S1)cccc2 1P00C5DW [1,0,0,1,0,0|2,0,0]=4 4461 B10R2.7 N1Cc2c(C1)cccc2 1P00399N [1,0,0,1,0,0|2,0,0]=4 4462 B10R2.7 N1Cc2c(C1)cccc2 1P003RKJ [1,0,0,1,0,0|2,0,0]=4 4463 B10R2.7 O1Cc2c(C1)cccc2 1P003E0J [1,0,0,1,0,0|2,0,0]=4 4464 B10R2.7 S1Cc2c(C1)cccc2 1P002PM4 [1,0,0,1,0,0|2,0,0]=4 4465 B10R2.7 c1ccc2c(c1)C=CC2 1P0035HF [1,0,0,1,0,0|1,0,1]=4 4466 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [1,0,0,1,0,0|1,0,0]=3 4467 B10R2.7 c1ccc2c(c1)[nH]cc2 1P000QID [1,0,0,1,0,0|0,0,2]=4 4468 B10R2.7 c1ccc2c(c1)[nH]cn2 1P0034YF [1,0,0,1,0,0|1,0,1]=4 4469 B10R2.7 c1ccc2c(c1)[nH]cn2 1P01PO48 [1,0,0,1,0,0|1,0,1]=4 4470 B10R2.7 c1ccc2c(c1)[nH]nc2 1P003RGJ [1,0,0,1,0,0|1,0,1]=4 4471 B10R2.7 c1ccc2c(c1)[nH]nn2 1P00338C [1,0,0,1,0,0|2,0,0]=4 4472 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [1,0,0,1,0,0|2,0,0]=4 4473 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [1,0,0,1,0,0|2,0,0]=4 4474 B10R2.7 c1ncc2c(c1)CCC2 1P00DL6X [1,0,0,1,0,0|2,0,0]=4 4475 B10R2.5 CC1CC1c2ccco2 1P019PA5 [0,0,0,1,1,0|2,0,0]=4 4476 B10R2.5 N[C@@H]1C[C@H]1c2ccco2 1P0280KE [0,0,0,1,1,0|1,0,0]=3 4477 B10R2.5 N[C@@H]1C[C@H]1c2ncsc2 1P027WSS [0,0,0,1,1,0|2,0,0]=4 4478 B10R2.5 N[C@@H]1C[C@H]1c2scnc2 1P02805I [0,0,0,1,1,0|2,0,0]=4 4479 B10R2.136 C1CC(C1)c2cccs2 1P028TM9 [0,0,0,1,1,0|2,0,0]=4 4480 B10R2.136 N1CC(C1)c2[nH]cnc2 1P027Z51 [0,0,0,1,1,0|2,0,0]=4 4481 B10R2.136 N1CC(C1)c2[nH]cnc2 1P028LKX [0,0,0,1,1,0|2,0,0]=4 4482 B10R2.136 N1CC(C1)c2c[nH]nc2 1P028V33 [0,0,0,1,1,0|2,0,0]=4 4483 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCD [0,0,0,1,1,0|2,0,0]=4 4484 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCF [0,0,0,1,1,0|2,0,0]=4 4485 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCG [0,0,0,1,1,0|2,0,0]=4 4486 B10R2.136 N1CC(C1)c2ccon2 1P01BHMM [0,0,0,1,1,0|2,0,0]=4 4487 B10R2.136 N1CC(C1)c2ncc[nH]2 1P01FKVP [0,0,0,1,1,0|2,0,0]=4 4488 B10R2.136 N1CC(C1)c2ncco2 1P027Z5D [0,0,0,1,1,0|2,0,0]=4 4489 B10R2.136 N1CC(C1)c2nccs2 1P024OXW [0,0,0,1,1,0|2,0,0]=4 4490 B10R2.136 N1CC(C1)c2ncsc2 1P027XVE [0,0,0,1,1,0|2,0,0]=4 4491 B10R2.136 N1CC(C1)c2ocnc2 1P027YH1 [0,0,0,1,1,0|2,0,0]=4 4492 B10R2.136 N1CC(C1)n2cccc2 1P01AMJ9 [0,0,0,1,1,0|1,0,0]=3 4493 B10R2.136 N1CC(C1)n2cccn2 1P0017BX [0,0,0,1,1,0|2,0,0]=4 4494 B10R2.136 N1CC(C1)n2cccn2 1P008VSM [0,0,0,1,1,0|2,0,0]=4 4495 B10R2.136 N1CC(C1)n2cncc2 1P007YCG [0,0,0,1,1,0|2,0,0]=4 4496 B12R2.11 CC1CC1Nc2ccccc2 1P01AM8S [0,0,0,1,0,1|1,0,0]=3 4497 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [0,0,0,1,0,1|0,0,0]=2 4498 B12R2.11 N[C@@H]1C[C@H]1Sc2ccccc2 1P028VGI [0,0,0,1,0,1|0,0,0]=2 4499 B12R2.18 CC1C(C)Nc2c1cccc2 1P007Q06 [0,0,0,1,0,1|1,0,0]=3 4500 B12R2.18 CC1C(O)Cc2c1cccc2 1P019Z25 [0,0,0,1,0,1|2,0,0]=4 4501 B12R2.18 Cc1[nH]c2c(c1N)cccc2 1P01C5TU [0,0,0,1,0,1|0,0,2]=4 4502 B12R2.18 Cn1nc2c(c1N)cccc2 1P006AUX [0,0,0,1,0,1|1,0,1]=4 4503 B12R2.18 Cn1nc2c(c1N)cccc2 1P0285BB [0,0,0,1,0,1|1,0,1]=4 4504 B12R2.18 NC1C(C)Cc2c1cccc2 1P00CXTW [0,0,0,1,0,1|0,0,0]=2 4505 B12R2.18 NC1C(C)Cc2c1cccc2 1P01AI1J [0,0,0,1,0,1|0,0,0]=2 4506 B12R2.18 NC1C(C)Oc2c1cccc2 1P01BBXP [0,0,0,1,0,1|0,0,0]=2 4507 B12R2.18 NN1C(C)Cc2c1cccc2 1P0038JS [0,0,0,1,0,1|1,0,0]=3 4508 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P001U4O [0,0,0,1,0,1|1,0,0]=3 4509 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P01B2C3 [0,0,0,1,0,1|1,0,0]=3 4510 B12R2.18 N[C@@H]1[C@H](N)Cc2c1cccc2 1P028CYJ [0,0,0,1,0,1|1,0,0]=3 4511 B12R2.18 N[C@@H]1[C@H](O)Cc2c1cccc2 1P00737G [0,0,0,1,0,1|1,0,0]=3 4512 B12R2.18 N[C@H]1[C@H](C)Cc2c1cccc2 1P028AK2 [0,0,0,1,0,1|0,0,0]=2 4513 B12R2.18 N[C@H]1[C@H](O)Cc2c1cccc2 1P028096 [0,0,0,1,0,1|1,0,0]=3 4514 B12R2.18 Nn1c(C)nc2c1cccc2 1P00F40I [0,0,0,1,0,1|1,0,1]=4 4515 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [0,0,0,1,0,1|1,0,1]=4 4516 B12R2.18 O=C1Cc2c(C1N)cccc2 1P0286XU [0,0,0,1,0,1|1,0,1]=4 4517 B12R2.18 O=C1Nc2c(C1N)cccc2 1P00J1R7 [0,0,0,1,0,1|1,0,1]=4 4518 B12R2.18 OC1C(Br)Cc2c1cccc2 1P0033LI [0,0,0,1,0,1|2,0,0]=4 4519 B12R2.18 OC1C(F)Cc2c1cccc2 1P01C4KF [0,0,0,1,0,1|2,0,0]=4 4520 B12R2.18 O[C@@H]1[C@@H](Br)Cc2c1cccc2 1P01ALKM [0,0,0,1,0,1|2,0,0]=4 4521 B12R2.18 O[C@@H]1[C@H](Br)Cc2c1cccc2 1P0022PB [0,0,0,1,0,1|2,0,0]=4 4522 B12R2.18 O[C@H]1Cc2c([C@H]1[NH3+])cccc2 1P00HUWA [0,0,0,1,0,1|1,0,1]=4 4523 B12R2.18 O[C@H]1[C@@H](N)Cc2c1cccc2 1P00BDOK [0,0,0,1,0,1|2,0,0]=4 4524 B12R2.18 O[C@H]1[C@H](Br)Cc2c1cccc2 1P003VCM [0,0,0,1,0,1|2,0,0]=4 4525 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009E8J [0,0,0,1,0,1|2,0,0]=4 4526 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009WJE [0,0,0,1,0,1|2,0,0]=4 4527 B12R2.23 CC1CNC1c2ccccc2 1P019T2Z [0,0,0,1,0,1|0,0,0]=2 4528 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [0,0,0,1,0,1|2,0,0]=4 4529 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [0,0,0,1,0,1|2,0,0]=4 4530 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [0,0,0,1,0,1|2,0,0]=4 4531 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [0,0,0,1,0,1|2,0,0]=4 4532 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [0,0,0,1,0,1|2,0,0]=4 4533 B12R2.24 BrC1CCc2c(C1)cccc2 1P01AA0L [0,0,0,1,0,1|2,0,0]=4 4534 B12R2.24 CC1CCc2c(C1)cccn2 1P024XID [0,0,0,1,0,1|2,0,0]=4 4535 B12R2.24 CC1CCc2c(C1)nccc2 1P00PGYR [0,0,0,1,0,1|2,0,0]=4 4536 B12R2.24 CC1CCc2c(N1)cccc2 1P00266P [0,0,0,1,0,1|1,0,0]=3 4537 B12R2.24 CC1CCc2c(N1)cccn2 1P028E84 [0,0,0,1,0,1|2,0,0]=4 4538 B12R2.24 CC1CNc2c(C1)cccc2 1P002J2Y [0,0,0,1,0,1|0,0,0]=2 4539 B12R2.24 CC1CNc2c(N1)cccc2 1P00FUJJ [0,0,0,1,0,1|0,0,0]=2 4540 B12R2.24 CC1CNc2c(N1)nccc2 1P018RZJ [0,0,0,1,0,1|1,0,0]=3 4541 B12R2.24 CC1CNc2c(O1)cccc2 1P00EJLD [0,0,0,1,0,1|0,0,0]=2 4542 B12R2.24 CC1CNc2c(O1)cccc2 1P01APH8 [0,0,0,1,0,1|0,0,0]=2 4543 B12R2.24 CC1CNc2c(O1)cccn2 1P00BHUK [0,0,0,1,0,1|1,0,0]=3 4544 B12R2.24 CC1CNc2c(O1)ccnc2 1P028YE9 [0,0,0,1,0,1|1,0,0]=3 4545 B12R2.24 CC1CNc2c(S1)cccc2 1P00EJLC [0,0,0,1,0,1|0,0,0]=2 4546 B12R2.24 CC1COc2c(N1)cccc2 1P00C0UG [0,0,0,1,0,1|1,0,0]=3 4547 B12R2.24 CC1CSc2c(N1)cccc2 1P00IES3 [0,0,0,1,0,1|1,0,0]=3 4548 B12R2.24 CC1Cc2cccnc2NC1 1P0286CY [0,0,0,1,0,1|1,0,0]=3 4549 B12R2.24 CN1CCc2c(C1)cccc2 1P001SPY [0,0,0,1,0,1|2,0,0]=4 4550 B12R2.24 CN1CCc2c(C1)cccc2 1P00DJHF [0,0,0,1,0,1|2,0,0]=4 4551 B12R2.24 CN1COc2c(C1)cccc2 1P01FX7S [0,0,0,1,0,1|2,0,0]=4 4552 B12R2.24 C[C@@H]1CNc2c(N1)ncnc2 1P0290BB [0,0,0,1,0,1|2,0,0]=4 4553 B12R2.24 C[C@@H]1CNc2c(O1)cccc2 1P0281EX [0,0,0,1,0,1|0,0,0]=2 4554 B12R2.24 C[C@@H]1COc2c(N1)nccc2 1P02814W [0,0,0,1,0,1|2,0,0]=4 4555 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P01JVJO [0,0,0,1,0,1|2,0,0]=4 4556 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P02857A [0,0,0,1,0,1|2,0,0]=4 4557 B12R2.24 C[C@H]1CNc2c(N1)ncnc2 1P028YHM [0,0,0,1,0,1|2,0,0]=4 4558 B12R2.24 C[C@H]1CNc2c(O1)cccc2 1P0280IJ [0,0,0,1,0,1|0,0,0]=2 4559 B12R2.24 C[C@H]1CNc2c(O1)nccc2 1P028F0J [0,0,0,1,0,1|1,0,0]=3 4560 B12R2.24 C[C@H]1COc2c(N1)nccc2 1P0281JS [0,0,0,1,0,1|2,0,0]=4 4561 B12R2.24 NC1CCc2c(C1)cccc2 1P00201L [0,0,0,1,0,1|2,0,0]=4 4562 B12R2.24 NC1CCc2c(C1)cccc2 1P002Z65 [0,0,0,1,0,1|2,0,0]=4 4563 B12R2.24 NC1CNc2c(C1)cccc2 1P00C7ZK [0,0,0,1,0,1|1,0,0]=3 4564 B12R2.24 NC1COc2c(C1)cccc2 1P00383B [0,0,0,1,0,1|2,0,0]=4 4565 B12R2.24 NC1COc2c(C1)cccc2 1P00EFVT [0,0,0,1,0,1|2,0,0]=4 4566 B12R2.24 N[C@@H]1CCc2c(C1)cccc2 1P00389M [0,0,0,1,0,1|2,0,0]=4 4567 B12R2.24 N[C@@H]1COc2c(C1)cccc2 1P003D2J [0,0,0,1,0,1|2,0,0]=4 4568 B12R2.24 N[C@H]1CCc2c(C1)cccc2 1P00I4PM [0,0,0,1,0,1|2,0,0]=4 4569 B12R2.24 O=C1CNc2c(N1)cccc2 1P00EBBL [0,0,0,1,0,1|1,0,1]=4 4570 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [0,0,0,1,0,1|2,0,0]=4 4571 B12R2.24 OC1CNc2c(C1)cccc2 1P00C6U7 [0,0,0,1,0,1|1,0,0]=3 4572 B12R2.24 OC1CNc2c(C1)cccc2 1P01BGH0 [0,0,0,1,0,1|1,0,0]=3 4573 B12R2.24 O[C@@H]1CNc2c(C1)cccc2 1P00ILOH [0,0,0,1,0,1|1,0,0]=3 4574 B12R2.24 O[C@H]1CNc2c(C1)cccc2 1P00HCNT [0,0,0,1,0,1|1,0,0]=3 4575 B12R2.24 SC1CCc2c(C1)cccc2 1P01AAN9 [0,0,0,1,0,1|2,0,0]=4 4576 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 1P023T5T [0,0,0,1,0,1|1,0,0]=3 4577 B12R2.27 C#C[C@@H]1C[C@H]1c2ccccc2 1P01K0VJ [0,0,0,1,0,1|1,0,1]=4 4578 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [0,0,0,1,0,1|2,0,0]=4 4579 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [0,0,0,1,0,1|2,0,0]=4 4580 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [0,0,0,1,0,1|2,0,0]=4 4581 B12R2.27 N#CC1CC1c2ccccc2 1P00I91M [0,0,0,1,0,1|0,0,2]=4 4582 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P00DLCK [0,0,0,1,0,1|0,0,2]=4 4583 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P024KON [0,0,0,1,0,1|0,0,2]=4 4584 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 1P01C5EC [0,0,0,1,0,1|0,0,0]=2 4585 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 1P01C5FJ [0,0,0,1,0,1|0,0,0]=2 4586 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [0,0,0,1,0,1|1,0,1]=4 4587 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [0,0,0,1,0,1|1,0,0]=3 4588 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [0,0,0,1,0,1|2,0,0]=4 4589 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [0,0,0,1,0,1|1,0,0]=3 4590 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [0,0,0,1,0,1|1,0,0]=3 4591 B12R2.32 BrCC1Cc2c(C1)cccc2 1P00C715 [0,0,0,1,0,1|1,0,0]=3 4592 B12R2.32 BrCC1Cc2c(O1)cccc2 1P002CXU [0,0,0,1,0,1|1,0,0]=3 4593 B12R2.32 C#CC1Cc2c(C1)cccc2 1P00ABX8 [0,0,0,1,0,1|1,0,1]=4 4594 B12R2.32 CNC1Cc2c(C1)cccc2 1P008T9L [0,0,0,1,0,1|2,0,0]=4 4595 B12R2.32 ClCC1Cc2c(O1)cccc2 1P00DLTJ [0,0,0,1,0,1|1,0,0]=3 4596 B12R2.32 ICC1Cc2c(O1)cccc2 1P00EFUD [0,0,0,1,0,1|1,0,0]=3 4597 B12R2.32 N#CC1Cc2c(C1)cccc2 1P002TQR [0,0,0,1,0,1|0,0,2]=4 4598 B12R2.32 N#CC1Cc2c(O1)cccc2 1P01PW8C [0,0,0,1,0,1|0,0,2]=4 4599 B12R2.32 NCC1Cc2c(C1)cccc2 1P0026Z3 [0,0,0,1,0,1|0,0,0]=2 4600 B12R2.32 NCC1Cc2c(C1)ccnc2 1P028DZX [0,0,0,1,0,1|1,0,0]=3 4601 B12R2.32 NCC1Cc2c(N1)cccc2 1P027XO3 [0,0,0,1,0,1|0,0,0]=2 4602 B12R2.32 NCC1Cc2c(O1)cccc2 1P00BI7W [0,0,0,1,0,1|0,0,0]=2 4603 B12R2.32 NCC1Oc2c(O1)cccc2 1P003FFI [0,0,0,1,0,1|1,0,0]=3 4604 B12R2.32 NCc1cc2c([nH]1)cccc2 1P000HOV [0,0,0,1,0,1|0,0,2]=4 4605 B12R2.32 NCc1cc2c([nH]1)cccc2 1P002LMD [0,0,0,1,0,1|0,0,2]=4 4606 B12R2.32 NCc1cc2c([nH]1)cccc2 1P0098M9 [0,0,0,1,0,1|0,0,2]=4 4607 B12R2.32 NCc1cc2c([nH]1)cccc2 1P00J3F7 [0,0,0,1,0,1|0,0,2]=4 4608 B12R2.32 NCc1cc2c(o1)cccc2 1P00C9A2 [0,0,0,1,0,1|0,0,2]=4 4609 B12R2.32 NCc1cc2c(o1)cccc2 1P00GCLW [0,0,0,1,0,1|0,0,2]=4 4610 B12R2.32 NCc1cc2c(s1)cccc2 1P002PSI [0,0,0,1,0,1|0,0,2]=4 4611 B12R2.32 NCc1cc2c(s1)cccc2 1P00EBI9 [0,0,0,1,0,1|0,0,2]=4 4612 B12R2.32 NCc1nc2c([nH]1)cccc2 1P000GMX [0,0,0,1,0,1|1,0,1]=4 4613 B12R2.32 NCc1nc2c([nH]1)cccc2 1P0059FZ [0,0,0,1,0,1|1,0,1]=4 4614 B12R2.32 NCc1nc2c([nH]1)cccc2 1P00E9WH [0,0,0,1,0,1|1,0,1]=4 4615 B12R2.32 NCc1nc2c([nH]1)cccc2 1P00EAFQ [0,0,0,1,0,1|1,0,1]=4 4616 B12R2.32 NCc1nc2c(o1)cccc2 1P008ULJ [0,0,0,1,0,1|1,0,1]=4 4617 B12R2.32 NCc1nc2c(s1)cccc2 1P00C9GU [0,0,0,1,0,1|1,0,1]=4 4618 B12R2.32 O=CC1Cc2c(C1)cccc2 1P00C7D0 [0,0,0,1,0,1|1,0,1]=4 4619 B12R2.32 OCC1Cc2c(C1)cccc2 1P00DBQM [0,0,0,1,0,1|1,0,0]=3 4620 B12R2.32 OCC1Cc2c(N1)cccc2 1P001AEN [0,0,0,1,0,1|1,0,0]=3 4621 B12R2.32 OCC1Cc2c(O1)cccc2 1P00FBQ0 [0,0,0,1,0,1|1,0,0]=3 4622 B12R2.32 OC[C@@H]1Cc2c(N1)cccc2 1P002US1 [0,0,0,1,0,1|1,0,0]=3 4623 B12R2.32 OC[C@H]1Cc2c(N1)cccc2 1P00ID99 [0,0,0,1,0,1|1,0,0]=3 4624 B12R2.37 CC1C(C1N)c2ccccc2 1P028KFB [0,0,0,1,0,1|0,0,0]=2 4625 B12R2.94 NC1(CC1)Cc2ccccc2 1P01ADMZ [0,0,0,1,0,1|2,0,0]=4 4626 B12R2.94 OC1(CC1)Cc2ccccc2 1P01AJWD [0,0,0,1,0,1|2,0,0]=4 4627 B12R2.2051 NCC1(C)Cc2c1cccc2 1P0292PX [0,0,0,1,0,1|0,0,0]=2 4628 B12R2.2058 C1CC(C1)Nc2ccccc2 1P019F77 [0,0,0,1,0,1|1,0,0]=3 4629 B12R2.2058 C1CC(C1)Nc2ccccn2 1P028VS6 [0,0,0,1,0,1|2,0,0]=4 4630 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [0,0,0,1,0,1|2,0,0]=4 4631 B12R2.2058 N1CC(=Cc2ccccc2)C1 1P027YZ9 [0,0,0,1,0,1|0,0,1]=3 4632 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [0,0,0,1,0,1|0,0,0]=2 4633 B12R2.2058 N1CC(C1)Cc2ccccn2 1P01ASP2 [0,0,0,1,0,1|1,0,0]=3 4634 B12R2.2058 N1CC(C1)Cc2cccnc2 1P01ASP1 [0,0,0,1,0,1|1,0,0]=3 4635 B12R2.2058 N1CC(C1)Cc2ccncc2 1P01ASP7 [0,0,0,1,0,1|1,0,0]=3 4636 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01BKLV [0,0,0,1,0,1|0,0,0]=2 4637 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01EKI0 [0,0,0,1,0,1|0,0,0]=2 4638 B12R2.2058 N1CC(C1)Nc2ccncn2 1P01KJJF [0,0,0,1,0,1|2,0,0]=4 4639 B12R2.2058 N1CC(C1)Nc2ncccn2 1P01F9HW [0,0,0,1,0,1|2,0,0]=4 4640 B12R2.2058 N1CC(C1)Oc2ccccc2 1P0038WI [0,0,0,1,0,1|0,0,0]=2 4641 B12R2.2058 N1CC(C1)Oc2ccccc2 1P00C2MF [0,0,0,1,0,1|0,0,0]=2 4642 B12R2.2058 N1CC(C1)Oc2ccccn2 1P01JM6Z [0,0,0,1,0,1|1,0,0]=3 4643 B12R2.2058 N1CC(C1)Oc2ccccn2 1P028M5C [0,0,0,1,0,1|1,0,0]=3 4644 B12R2.2058 N1CC(C1)Oc2cccnc2 1P00CGUT [0,0,0,1,0,1|1,0,0]=3 4645 B12R2.2058 N1CC(C1)Oc2cccnc2 1P01KJPG [0,0,0,1,0,1|1,0,0]=3 4646 B12R2.2058 N1CC(C1)Oc2ccncc2 1P00HILZ [0,0,0,1,0,1|1,0,0]=3 4647 B12R2.2058 N1CC(C1)Oc2ncccn2 1P028OC7 [0,0,0,1,0,1|2,0,0]=4 4648 B12R2.2058 N1CC(C1)Oc2nccnc2 1P0283F2 [0,0,0,1,0,1|2,0,0]=4 4649 B12R2.2058 N1CC(C1)Sc2ccccc2 1P01ATIC [0,0,0,1,0,1|0,0,0]=2 4650 B12R2.2058 O1CC(C1)Nc2ccccc2 1P01C1VA [0,0,0,1,0,1|1,0,0]=3 4651 B12R2.48 BrCC1(CC1)c2ccccc2 1P00K3RE [0,1,0,1,0,0|1,0,0]=3 4652 B12R2.48 C#CC1(CC1)c2ccccc2 1P001BWJ [0,1,0,1,0,0|1,0,1]=4 4653 B12R2.48 CNC1(CC1)c2ccccc2 1P028CH7 [0,1,0,1,0,0|1,0,0]=3 4654 B12R2.48 CNC1(CC1)c2cccnc2 1P028IT3 [0,1,0,1,0,0|2,0,0]=4 4655 B12R2.48 N#CC1(CC1)c2ccccc2 1P003F33 [0,1,0,1,0,0|0,0,2]=4 4656 B12R2.48 NCC1(CC1)c2ccccc2 1P003BWB [0,1,0,1,0,0|0,0,0]=2 4657 B12R2.48 NCC1(CC1)c2ccccc2 1P006FMR [0,1,0,1,0,0|0,0,0]=2 4658 B12R2.48 NCC1(CC1)c2ccccn2 1P01A7AJ [0,1,0,1,0,0|1,0,0]=3 4659 B12R2.48 NCC1(CC1)c2cccnc2 1P0099H2 [0,1,0,1,0,0|1,0,0]=3 4660 B12R2.48 NCC1(CC1)c2ccncc2 1P01A3YK [0,1,0,1,0,0|1,0,0]=3 4661 B12R2.48 NNC1(CC1)c2ccccc2 1P028LKL [0,1,0,1,0,0|1,0,0]=3 4662 B12R2.48 O=CC1(CC1)c2ccccc2 1P00BGKU [0,1,0,1,0,0|1,0,1]=4 4663 B12R2.48 OCC1(CC1)c2ccccc2 1P007J5D [0,1,0,1,0,0|1,0,0]=3 4664 B12R2.116 CC1(CCN1)c2ccccc2 1P028II4 [0,1,0,1,0,0|0,0,0]=2 4665 B12R2.116 CC1(CNC1)c2ccccc2 1P00VV9A [0,1,0,1,0,0|0,0,0]=2 4666 B12R2.116 FC1(CNC1)c2ccccc2 1P01ACHT [0,1,0,1,0,0|0,0,0]=2 4667 B12R2.116 FC1(CNC1)c2ccccn2 1P028U5Z [0,1,0,1,0,0|1,0,0]=3 4668 B12R2.116 FC1(CNC1)c2cccnc2 1P02824S [0,1,0,1,0,0|1,0,0]=3 4669 B12R2.116 FC1(CNC1)c2cccnc2 1P0286WK [0,1,0,1,0,0|1,0,0]=3 4670 B12R2.116 FC1(CNC1)c2ccncc2 1P028O57 [0,1,0,1,0,0|1,0,0]=3 4671 B12R2.116 NC1(CCC1)c2ccccc2 1P001ZOI [0,1,0,1,0,0|1,0,0]=3 4672 B12R2.116 NC1(CCC1)c2ccccc2 1P003F30 [0,1,0,1,0,0|1,0,0]=3 4673 B12R2.116 NC1(CCC1)c2cccnc2 1P028KLF [0,1,0,1,0,0|2,0,0]=4 4674 B12R2.116 NC1(CCC1)c2ccncc2 1P01B6MC [0,1,0,1,0,0|2,0,0]=4 4675 B12R2.116 NC1(CCC1)c2ccncc2 1P021KSH [0,1,0,1,0,0|2,0,0]=4 4676 B12R2.116 NC1(COC1)c2ccccc2 1P003AM6 [0,1,0,1,0,0|1,0,0]=3 4677 B12R2.116 NC1(COC1)c2ccccc2 1P009ZA5 [0,1,0,1,0,0|1,0,0]=3 4678 B12R2.116 NC1(COC1)c2ccccn2 1P019GWF [0,1,0,1,0,0|2,0,0]=4 4679 B12R2.116 NC1(COC1)c2cccnc2 1P002DGK [0,1,0,1,0,0|2,0,0]=4 4680 B12R2.116 O=P1(CCC1)c2ccccc2 1P028MQ7 [0,1,0,1,0,0|2,0,0]=4 4681 B12R2.116 OC1(CCC1)c2ccccc2 1P01A1WT [0,1,0,1,0,0|1,0,0]=3 4682 B12R2.116 OC1(CCC1)c2ccccn2 1P028ANI [0,1,0,1,0,0|2,0,0]=4 4683 B12R2.116 OC1(CCC1)c2cccnc2 1P01B38Z [0,1,0,1,0,0|2,0,0]=4 4684 B12R2.116 OC1(CNC1)c2ccccc2 1P00BIFC [0,1,0,1,0,0|0,0,0]=2 4685 B12R2.116 OC1(CNC1)c2ccccc2 1P00DKZ2 [0,1,0,1,0,0|0,0,0]=2 4686 B12R2.116 OC1(CNC1)c2ccccc2 1P01B23K [0,1,0,1,0,0|0,0,0]=2 4687 B12R2.116 OC1(CNC1)c2cccnc2 1P028NFA [0,1,0,1,0,0|1,0,0]=3 4688 B12R2.116 OC1(CNC1)c2ccncn2 1P028V3F [0,1,0,1,0,0|2,0,0]=4 4689 B12R2.116 OC1(COC1)c2ccccc2 1P005H3J [0,1,0,1,0,0|1,0,0]=3 4690 B12R2.116 OC1(COC1)c2ccccn2 1P0284WK [0,1,0,1,0,0|2,0,0]=4 4691 B12R2.116 OC1(COC1)c2cccnc2 1P01B71X [0,1,0,1,0,0|2,0,0]=4 4692 B12R2.235 NC1CC1(C)c2ccccc2 1P01ALHJ [0,1,0,1,0,0|0,0,0]=2 4693 B12R2.235 NC1CC1(F)c2ccccc2 1P01C4GI [0,1,0,1,0,0|0,0,0]=2 4694 B12R2.2403 CC1(C)CNc2c1cccc2 1P002FNX [0,1,0,1,0,0|0,0,0]=2 4695 B12R2.2403 CC1(C)CNc2c1cccc2 1P019ZZH [0,1,0,1,0,0|0,0,0]=2 4696 B12R2.2403 CC1(C)CNc2c1cccn2 1P001RLK [0,1,0,1,0,0|1,0,0]=3 4697 B12R2.2403 CC1(C)CNc2c1cncc2 1P01DL4S [0,1,0,1,0,0|1,0,0]=3 4698 B12R2.2403 CC1(C)CNc2c1nccc2 1P028FIQ [0,1,0,1,0,0|1,0,0]=3 4699 B12R2.2403 CC1(C)COc2c1cccc2 1P009JR8 [0,1,0,1,0,0|1,0,0]=3 4700 B12R2.2403 CC1(C)NCc2c1cccc2 1P00FYER [0,1,0,1,0,0|2,0,0]=4 4701 B12R2.2403 CC1(C)SCc2c1cccc2 1P01WK9L [0,1,0,1,0,0|2,0,0]=4 4702 B12R2.2403 CC1(N)CCc2c1cccc2 1P01C4XI [0,1,0,1,0,0|1,0,0]=3 4703 B12R2.2403 CC1(N)COc2c1cccc2 1P0282TC [0,1,0,1,0,0|1,0,0]=3 4704 B12R2.2403 CC1(O)CCc2c1cccc2 1P00EMDX [0,1,0,1,0,0|1,0,0]=3 4705 B12R2.1 BrCC1CCc2c1cccc2 1P00BK9T [0,1,0,1,0,0|1,0,0]=3 4706 B12R2.1 BrCC1COc2c1cccc2 1P01C3GI [0,1,0,1,0,0|1,0,0]=3 4707 B12R2.1 CCC1CNc2c1cccc2 1P01AM9I [0,1,0,1,0,0|0,0,0]=2 4708 B12R2.1 CCC1NCc2c1cccc2 1P01ACJL [0,1,0,1,0,0|1,0,0]=3 4709 B12R2.1 CCC1NCc2c1cccc2 1P01EJL0 [0,1,0,1,0,0|1,0,0]=3 4710 B12R2.1 CCc1c[nH]c2c1cccc2 1P001LCJ [0,1,0,1,0,0|0,0,2]=4 4711 B12R2.1 CNC1CCc2c1cccc2 1P002K5A [0,1,0,1,0,0|1,0,0]=3 4712 B12R2.1 CN[C@@H]1CCc2c1cccc2 1P027URY [0,1,0,1,0,0|1,0,0]=3 4713 B12R2.1 CNc1c[nH]c2c1cccc2 1P028RYV [0,1,0,1,0,0|0,0,2]=4 4714 B12R2.1 COC1OCc2c1cccc2 1P003E0F [0,1,0,1,0,0|2,0,0]=4 4715 B12R2.1 COc1c[nH]c2c1cccc2 1P001XM3 [0,1,0,1,0,0|0,0,2]=4 4716 B12R2.1 CSc1c[nH]c2c1cccc2 1P0076I5 [0,1,0,1,0,0|0,0,2]=4 4717 B12R2.1 ClCc1n[nH]c2c1cccc2 1P028NEC [0,1,0,1,0,0|1,0,1]=4 4718 B12R2.1 N#CC1CCc2c1cccc2 1P002TQT [0,1,0,1,0,0|0,0,2]=4 4719 B12R2.1 N#CC1CSc2c1cccc2 1P01AMQS [0,1,0,1,0,0|0,0,2]=4 4720 B12R2.1 NCC1CCc2c1cccc2 1P009331 [0,1,0,1,0,0|0,0,0]=2 4721 B12R2.1 NCC1CCc2c1cccc2 1P00D8W6 [0,1,0,1,0,0|0,0,0]=2 4722 B12R2.1 NCC1CCc2c1nccc2 1P01B386 [0,1,0,1,0,0|1,0,0]=3 4723 B12R2.1 NCC1COc2c1cccc2 1P01A1L7 [0,1,0,1,0,0|0,0,0]=2 4724 B12R2.1 NCC1COc2c1cccc2 1P01A1LW [0,1,0,1,0,0|0,0,0]=2 4725 B12R2.1 NCC1CSc2c1cccc2 1P01ANJB [0,1,0,1,0,0|0,0,0]=2 4726 B12R2.1 NCC1OCc2c1cccc2 1P002CXT [0,1,0,1,0,0|0,0,0]=2 4727 B12R2.1 NCc1c[nH]c2c1cccc2 1P000TJE [0,1,0,1,0,0|0,0,2]=4 4728 B12R2.1 NCc1c[nH]c2c1cccc2 1P00I4UE [0,1,0,1,0,0|0,0,2]=4 4729 B12R2.1 NCc1coc2c1cccc2 1P003IMY [0,1,0,1,0,0|0,0,2]=4 4730 B12R2.1 NCc1csc2c1cccc2 1P003IMX [0,1,0,1,0,0|0,0,2]=4 4731 B12R2.1 NCc1csc2c1cccc2 1P00D8OF [0,1,0,1,0,0|0,0,2]=4 4732 B12R2.1 NCc1n[nH]c2c1cccc2 1P003IMR [0,1,0,1,0,0|1,0,1]=4 4733 B12R2.1 NCc1n[nH]c2c1cccc2 1P01FSNI [0,1,0,1,0,0|1,0,1]=4 4734 B12R2.1 NCc1noc2c1cccc2 1P001O71 [0,1,0,1,0,0|1,0,1]=4 4735 B12R2.1 NCc1noc2c1cccc2 1P01BG8N [0,1,0,1,0,0|1,0,1]=4 4736 B12R2.1 NCc1nsc2c1cccc2 1P01C6XB [0,1,0,1,0,0|1,0,1]=4 4737 B12R2.1 NN=C1CCc2c1cccc2 1P028OMI [0,1,0,1,0,0|1,0,1]=4 4738 B12R2.1 NNC1CCc2c1cccc2 1P028PDT [0,1,0,1,0,0|1,0,0]=3 4739 B12R2.1 O=CC1CCc2c1cccc2 1P01AH7Z [0,1,0,1,0,0|1,0,1]=4 4740 B12R2.1 OCC1CCc2c1cccc2 1P000PPG [0,1,0,1,0,0|1,0,0]=3 4741 B12R2.1 OCC1CCc2c1nccc2 1P01BI2K [0,1,0,1,0,0|2,0,0]=4 4742 B12R2.1 OCC1CNc2c1cccc2 1P00II7A [0,1,0,1,0,0|0,0,0]=2 4743 B12R2.1 OCC1CNc2c1cccc2 1P01AMHG [0,1,0,1,0,0|0,0,0]=2 4744 B12R2.1 OCC1CSc2c1cccc2 1P01ANGJ [0,1,0,1,0,0|1,0,0]=3 4745 B12R2.1 OCC1NCc2c1cccc2 1P01DN79 [0,1,0,1,0,0|1,0,0]=3 4746 B12R2.1 OCc1c[nH]c2c1cccc2 1P003RGV [0,1,0,1,0,0|0,0,2]=4 4747 B12R2.1 OCc1n[nH]c2c1cccc2 1P00EDBK [0,1,0,1,0,0|1,0,1]=4 4748 B12R2.2 C1CCC(C1)c2cccnc2 1P0053X8 [0,1,0,1,0,0|2,0,0]=4 4749 B12R2.2 C1CCN(C1)c2ccccc2 1P00BXVT [0,1,0,1,0,0|2,0,0]=4 4750 B12R2.2 C1CNC(C1)c2ccccc2 1P0002WI [0,1,0,1,0,0|1,0,0]=3 4751 B12R2.2 C1CNC(C1)c2ccccn2 1P00373R [0,1,0,1,0,0|2,0,0]=4 4752 B12R2.2 C1CNC(C1)c2cccnc2 1P00IAPC [0,1,0,1,0,0|2,0,0]=4 4753 B12R2.2 C1CNC(C1)c2ccncc2 1P000YNE [0,1,0,1,0,0|2,0,0]=4 4754 B12R2.2 C1CNC(C1)c2ccncc2 1P028R7Z [0,1,0,1,0,0|2,0,0]=4 4755 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P0037LI [0,1,0,1,0,0|1,0,0]=3 4756 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P00EIWN [0,1,0,1,0,0|1,0,0]=3 4757 B12R2.2 C1CN[C@@H](C1)c2ccccn2 1P00BI8S [0,1,0,1,0,0|2,0,0]=4 4758 B12R2.2 C1CN[C@@H](C1)c2ccccn2 1P01DE4D [0,1,0,1,0,0|2,0,0]=4 4759 B12R2.2 C1CN[C@@H](C1)c2cccnc2 1P00DC6C [0,1,0,1,0,0|2,0,0]=4 4760 B12R2.2 C1CN[C@@H](C1)c2cccnc2 1P00IN4F [0,1,0,1,0,0|2,0,0]=4 4761 B12R2.2 C1CN[C@@H](C1)c2ccncc2 1P020LS1 [0,1,0,1,0,0|2,0,0]=4 4762 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P0037IN [0,1,0,1,0,0|1,0,0]=3 4763 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P00EKMJ [0,1,0,1,0,0|1,0,0]=3 4764 B12R2.2 C1CN[C@H](C1)c2ccccn2 1P00IN42 [0,1,0,1,0,0|2,0,0]=4 4765 B12R2.2 C1CN[C@H](C1)c2cccnc2 1P00FHQ3 [0,1,0,1,0,0|2,0,0]=4 4766 B12R2.2 C1CN[C@H](C1)c2cccnc2 1P00I5U9 [0,1,0,1,0,0|2,0,0]=4 4767 B12R2.2 C1CN[C@H](C1)c2ccncc2 1P003UIU [0,1,0,1,0,0|2,0,0]=4 4768 B12R2.2 C1COC(C1)c2ccccc2 1P001STW [0,1,0,1,0,0|1,0,0]=3 4769 B12R2.2 C1COC(O1)c2ccccc2 1P003IBH [0,1,0,1,0,0|2,0,0]=4 4770 B12R2.2 C1CSC(C1)c2cccnc2 1P004XKW [0,1,0,1,0,0|2,0,0]=4 4771 B12R2.2 C1CSC(N1)c2ccccc2 1P006ZA0 [0,1,0,1,0,0|2,0,0]=4 4772 B12R2.2 C1NCC(C1)c2ccccc2 1P003A3E [0,1,0,1,0,0|0,0,0]=2 4773 B12R2.2 C1NCC(C1)c2ccccc2 1P00GSPY [0,1,0,1,0,0|0,0,0]=2 4774 B12R2.2 C1NCC(C1)c2ccccn2 1P001MXE [0,1,0,1,0,0|1,0,0]=3 4775 B12R2.2 C1NCC(C1)c2ccccn2 1P009A8H [0,1,0,1,0,0|1,0,0]=3 4776 B12R2.2 C1NCC(C1)c2ccccn2 1P01EJJF [0,1,0,1,0,0|1,0,0]=3 4777 B12R2.2 C1NCC(C1)c2cccnc2 1P001MXD [0,1,0,1,0,0|1,0,0]=3 4778 B12R2.2 C1NCC(C1)c2cccnc2 1P00EKGP [0,1,0,1,0,0|1,0,0]=3 4779 B12R2.2 C1NCC(C1)c2cccnn2 1P02808G [0,1,0,1,0,0|2,0,0]=4 4780 B12R2.2 C1NCC(C1)c2ccncc2 1P001MXC [0,1,0,1,0,0|1,0,0]=3 4781 B12R2.2 C1NCC(C1)c2cnccn2 1P01EJJI [0,1,0,1,0,0|2,0,0]=4 4782 B12R2.2 C1NCC(C1)c2cncnc2 1P01P6ET [0,1,0,1,0,0|2,0,0]=4 4783 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P008SNV [0,1,0,1,0,0|0,0,0]=2 4784 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P00F5WR [0,1,0,1,0,0|0,0,0]=2 4785 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00F5E7 [0,1,0,1,0,0|0,0,0]=2 4786 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00G3DZ [0,1,0,1,0,0|0,0,0]=2 4787 B12R2.2 N1=CCC(N1)c2ccccc2 1P01BNKM [0,1,0,1,0,0|1,0,1]=4 4788 B12R2.2 N1CC=C(C1)c2ccccc2 1P01A4QJ [0,1,0,1,0,0|0,0,1]=3 4789 B12R2.2 O1CC[C@H](N1)c2ccccc2 1P01KZLY [0,1,0,1,0,0|2,0,0]=4 4790 B12R2.2 c1ccc(cc1)C2=CCCC2 1P008JAV [0,1,0,1,0,0|1,0,1]=4 4791 B12R2.2 c1ccc(cc1)C2=NCCC2 1P005M0Z [0,1,0,1,0,0|1,0,1]=4 4792 B12R2.2 c1ccc(nc1)C2=CCNC2 1P01DXBX [0,1,0,1,0,0|1,0,1]=4 4793 B12R2.22 BrC1CC(C1)c2ccccc2 1P0291Y1 [0,1,0,1,0,0|1,0,0]=3 4794 B12R2.22 BrC1CN(C1)c2ccccc2 1P028UAG [0,1,0,1,0,0|2,0,0]=4 4795 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,1,0,1,0,0|1,0,0]=3 4796 B12R2.22 NC1CC(=C1)c2ccccc2 1P028P5I [0,1,0,1,0,0|0,0,1]=3 4797 B12R2.22 NC1CC(C1)c2ccccc2 1P00IGS9 [0,1,0,1,0,0|0,0,0]=2 4798 B12R2.22 NC1CC(C1)c2ccccc2 1P01AAW6 [0,1,0,1,0,0|0,0,0]=2 4799 B12R2.22 NC1CC(C1)c2cccnc2 1P019FV1 [0,1,0,1,0,0|1,0,0]=3 4800 B12R2.22 NC1CC(C1)c2ncccn2 1P02935M [0,1,0,1,0,0|2,0,0]=4 4801 B12R2.22 NC1CN(C1)c2ccccc2 1P002AOP [0,1,0,1,0,0|1,0,0]=3 4802 B12R2.22 NC1CN(C1)c2ccccc2 1P01DYH8 [0,1,0,1,0,0|1,0,0]=3 4803 B12R2.22 NC1CN(C1)c2ccccn2 1P01EILN [0,1,0,1,0,0|2,0,0]=4 4804 B12R2.22 NC1CN(C1)c2ccncc2 1P024MYS [0,1,0,1,0,0|2,0,0]=4 4805 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P00CIY6 [0,1,0,1,0,0|0,0,0]=2 4806 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCEE [0,1,0,1,0,0|0,0,0]=2 4807 B12R2.22 N[C@@H]1C[C@@H](C1)c2ncccn2 1P027WGG [0,1,0,1,0,0|2,0,0]=4 4808 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P001PMC [0,1,0,1,0,0|0,0,0]=2 4809 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P01B816 [0,1,0,1,0,0|0,0,0]=2 4810 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,1,0,1,0,0|1,0,0]=3 4811 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [0,1,0,1,0,0|2,0,0]=4 4812 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,1,0,1,0,0|1,0,1]=4 4813 B12R2.22 OC1CC(C1)c2ccccc2 1P01A0RI [0,1,0,1,0,0|1,0,0]=3 4814 B12R2.22 OC1CN(C1)c2ccccc2 1P00G9PC [0,1,0,1,0,0|2,0,0]=4 4815 B12R2.22 O[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCCJ [0,1,0,1,0,0|1,0,0]=3 4816 B12R2.22 O[C@@H]1C[C@H](C1)c2ccccc2 1P01BFP2 [0,1,0,1,0,0|1,0,0]=3 4817 B12R2.1081 CC1=NCCc2c1cccc2 1P002SQB [0,1,0,1,0,0|1,0,1]=4 4818 B12R2.1081 CC1=NCCc2c1cccc2 1P00BJJ1 [0,1,0,1,0,0|1,0,1]=4 4819 B12R2.1081 CC1CCNc2c1cccc2 1P0034K9 [0,1,0,1,0,0|0,0,0]=2 4820 B12R2.1081 CC1CCNc2c1cccc2 1P00FXDA [0,1,0,1,0,0|0,0,0]=2 4821 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZO [0,1,0,1,0,0|0,0,0]=2 4822 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZP [0,1,0,1,0,0|0,0,0]=2 4823 B12R2.1081 CC1NCCc2c1cccc2 1P003EXJ [0,1,0,1,0,0|1,0,0]=3 4824 B12R2.1081 CC1NCCc2c1cccc2 1P008ZIA [0,1,0,1,0,0|1,0,0]=3 4825 B12R2.1081 CC1NCCc2c1cccn2 1P024ZMQ [0,1,0,1,0,0|2,0,0]=4 4826 B12R2.1081 CC1NCCc2c1cncc2 1P01EIG8 [0,1,0,1,0,0|2,0,0]=4 4827 B12R2.1081 CN1CCCc2c1cccc2 1P00I9AM [0,1,0,1,0,0|2,0,0]=4 4828 B12R2.1081 CN1CCNc2c1cccc2 1P000R40 [0,1,0,1,0,0|1,0,0]=3 4829 B12R2.1081 CN1CCNc2c1cccc2 1P00CJBM [0,1,0,1,0,0|1,0,0]=3 4830 B12R2.1081 CN1CCNc2c1cccn2 1P01KLMH [0,1,0,1,0,0|2,0,0]=4 4831 B12R2.1081 CN1CCNc2c1ccnc2 1P019ZEG [0,1,0,1,0,0|2,0,0]=4 4832 B12R2.1081 CN1CCNc2c1nccc2 1P00GTX6 [0,1,0,1,0,0|2,0,0]=4 4833 B12R2.1081 CN1CCOc2c1cccc2 1P0057CM [0,1,0,1,0,0|2,0,0]=4 4834 B12R2.1081 C[C@@H]1CNCc2c1cccc2 1P01DIHO [0,1,0,1,0,0|0,0,0]=2 4835 B12R2.1081 C[C@@H]1NCCc2c1cccc2 1P00EKIC [0,1,0,1,0,0|1,0,0]=3 4836 B12R2.1081 C[C@H]1CNCc2c1cccc2 1P00I7EK [0,1,0,1,0,0|0,0,0]=2 4837 B12R2.1081 C[C@H]1NCCc2c1cccc2 1P00G8PU [0,1,0,1,0,0|1,0,0]=3 4838 B12R2.1081 ClC1CCCc2c1cccc2 1P003ENQ [0,1,0,1,0,0|2,0,0]=4 4839 B12R2.1081 ClC1CCOc2c1cccc2 1P01AGGD [0,1,0,1,0,0|2,0,0]=4 4840 B12R2.1081 NC1CCCc2c1cccc2 1P003DQN [0,1,0,1,0,0|2,0,0]=4 4841 B12R2.1081 NC1CCCc2c1cccc2 1P00D00F [0,1,0,1,0,0|2,0,0]=4 4842 B12R2.1081 NC1CCNc2c1cccc2 1P00G36C [0,1,0,1,0,0|1,0,0]=3 4843 B12R2.1081 NC1CCNc2c1cccc2 1P00G8MZ [0,1,0,1,0,0|1,0,0]=3 4844 B12R2.1081 NC1CCOc2c1cccc2 1P0037S6 [0,1,0,1,0,0|2,0,0]=4 4845 B12R2.1081 NC1CCOc2c1cccc2 1P003L7W [0,1,0,1,0,0|2,0,0]=4 4846 B12R2.1081 NC1CCSc2c1cccc2 1P00AMT3 [0,1,0,1,0,0|2,0,0]=4 4847 B12R2.1081 NC1COCc2c1cccc2 1P000HO8 [0,1,0,1,0,0|2,0,0]=4 4848 B12R2.1081 NC1COCc2c1cccc2 1P007KJZ [0,1,0,1,0,0|2,0,0]=4 4849 B12R2.1081 NC1CSCc2c1cccc2 1P019Y83 [0,1,0,1,0,0|2,0,0]=4 4850 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P003CIU [0,1,0,1,0,0|2,0,0]=4 4851 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P00C7GV [0,1,0,1,0,0|2,0,0]=4 4852 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P002L9X [0,1,0,1,0,0|2,0,0]=4 4853 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P003CRS [0,1,0,1,0,0|2,0,0]=4 4854 B12R2.1081 N[C@@H]1COCc2c1cccc2 1P0289U3 [0,1,0,1,0,0|2,0,0]=4 4855 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P003CWB [0,1,0,1,0,0|2,0,0]=4 4856 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P00C09F [0,1,0,1,0,0|2,0,0]=4 4857 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P002H7Y [0,1,0,1,0,0|2,0,0]=4 4858 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P003D30 [0,1,0,1,0,0|2,0,0]=4 4859 B12R2.1081 N[C@H]1COCc2c1cccc2 1P028YF6 [0,1,0,1,0,0|2,0,0]=4 4860 B12R2.1081 O=C1CCNc2c1cccc2 1P0033EM [0,1,0,1,0,0|1,0,1]=4 4861 B12R2.1081 O=C1CCNc2c1cccc2 1P00BXYO [0,1,0,1,0,0|1,0,1]=4 4862 B12R2.1081 O=C1CNNc2c1cccc2 1P0013DI [0,1,0,1,0,0|1,0,1]=4 4863 B12R2.1081 O=S1CCNc2c1cccc2 1P019KNE [0,1,0,1,0,0|2,0,0]=4 4864 B12R2.1081 OC1CCCc2c1cccc2 1P003DQM [0,1,0,1,0,0|2,0,0]=4 4865 B12R2.1081 OC1CCNc2c1cccc2 1P00BHJL [0,1,0,1,0,0|1,0,0]=3 4866 B12R2.1081 OC1CCNc2c1cccn2 1P01EMV0 [0,1,0,1,0,0|2,0,0]=4 4867 B12R2.1081 OC1CCOc2c1cccc2 1P001FWV [0,1,0,1,0,0|2,0,0]=4 4868 B12R2.1081 OC1CCSc2c1cccc2 1P00BYVU [0,1,0,1,0,0|2,0,0]=4 4869 B12R2.1081 OC1CNCc2c1cccc2 1P009KHD [0,1,0,1,0,0|1,0,0]=3 4870 B12R2.1081 OC1COCc2c1cccc2 1P002KKW [0,1,0,1,0,0|2,0,0]=4 4871 B12R2.1081 OC1CSCc2c1cccc2 1P01A8OU [0,1,0,1,0,0|2,0,0]=4 4872 B12R2.1081 O[C@@H]1CCCc2c1cccc2 1P002NEW [0,1,0,1,0,0|2,0,0]=4 4873 B12R2.1081 O[C@@H]1CCOc2c1cccc2 1P009980 [0,1,0,1,0,0|2,0,0]=4 4874 B12R2.1081 O[C@@H]1CCSc2c1cccc2 1P019ROC [0,1,0,1,0,0|2,0,0]=4 4875 B12R2.1081 O[C@H]1CCCc2c1cccc2 1P003CWA [0,1,0,1,0,0|2,0,0]=4 4876 B12R2.1081 O[C@H]1CCOc2c1cccc2 1P0011AH [0,1,0,1,0,0|2,0,0]=4 4877 B12R2.1081 O[C@H]1CCSc2c1cccc2 1P007O09 [0,1,0,1,0,0|2,0,0]=4 4878 B12R2.1081 SC1CCCc2c1cccc2 1P0086BH [0,1,0,1,0,0|2,0,0]=4 4879 B12R2.1081 SC1CCOc2c1cccc2 1P019Y5B [0,1,0,1,0,0|2,0,0]=4 4880 B12R2.2028 CC1OB(c2c1cccc2)O 1P01BX4T [0,1,0,1,0,0|2,0,0]=4 4881 B12R2.2028 CN1CN(c2c1cccc2)C 1P005Q4I [0,1,0,1,0,0|1,0,0]=3 4882 B12R2.2028 C[C@@H]1N[C@H](c2c1cccc2)C 1P028L6R [0,1,0,1,0,0|1,0,0]=3 4883 B12R2.2028 C[C@@H]1N[C@H](c2c1cccc2)C 1P028M4T [0,1,0,1,0,0|1,0,0]=3 4884 B12R2.2028 C[C@@H]1OB(c2c1cccc2)O 1P027XQO [0,1,0,1,0,0|2,0,0]=4 4885 B12R2.2028 C[C@H]1OB(c2c1cccc2)O 1P0292LN [0,1,0,1,0,0|2,0,0]=4 4886 B12R2.2028 C[n+]1cn(c2c1cccc2)C 1P01EWVX [0,1,0,1,0,0|1,0,1]=4 4887 B12R2.2028 Cn1cc(c2c1cccc2)C 1P00H2MC [0,1,0,1,0,0|0,0,2]=4 4888 B12R2.2028 Cn1cc(c2c1cccc2)N 1P028PO1 [0,1,0,1,0,0|1,0,1]=4 4889 B12R2.2028 Cn1nc(c2c1cccc2)N 1P00EEJS [0,1,0,1,0,0|1,0,1]=4 4890 B12R2.2028 FC1CC(c2c1cccc2)N 1P01A5R8 [0,1,0,1,0,0|1,0,0]=3 4891 B12R2.2028 NC1CC(c2c1cccc2)C 1P00CLF0 [0,1,0,1,0,0|0,0,0]=2 4892 B12R2.2028 NC1CC(c2c1cccc2)C 1P01AAMP [0,1,0,1,0,0|0,0,0]=2 4893 B12R2.2028 N[C@H]1C[C@@H](c2c1cccc2)C 1P027YUY [0,1,0,1,0,0|0,0,0]=2 4894 B12R2.2028 N[C@H]1C[C@H](c2c1cccc2)C 1P027YBT [0,1,0,1,0,0|0,0,0]=2 4895 B12R2.2028 O=C1CC(c2c1cccc2)Br 1P003JG9 [0,1,0,1,0,0|2,0,0]=4 4896 B12R2.2028 O=C1CC(c2c1cccc2)C 1P003K5N [0,1,0,1,0,0|1,0,0]=3 4897 B12R2.2028 O=C1CC(c2c1cccc2)N 1P00ADCH [0,1,0,1,0,0|1,0,1]=4 4898 B12R2.2028 O=C1C[C@@H](c2c1cccc2)C 1P01EKBH [0,1,0,1,0,0|1,0,0]=3 4899 B12R2.2028 O=C1C[C@H](c2c1cccc2)C 1P005GL2 [0,1,0,1,0,0|1,0,0]=3 4900 B12R2.2028 O=C1NC(c2c1cccc2)C 1P01DYOU [0,1,0,1,0,0|1,0,1]=4 4901 B12R2.2028 O=C1NC(c2c1cccc2)N 1P00II77 [0,1,0,1,0,0|1,0,1]=4 4902 B12R2.2028 O=C1N[C@@H](c2c1cccc2)C 1P000ZYL [0,1,0,1,0,0|1,0,1]=4 4903 B12R2.2028 O=C1OC(c2c1cccc2)C 1P003B0H [0,1,0,1,0,0|1,0,1]=4 4904 B12R2.2028 OC1CC(c2c1cccc2)N 1P00CXUG [0,1,0,1,0,0|1,0,0]=3 4905 B12R2.2028 O[C@H]1C[C@@H](c2c1cccc2)O 1P0289PZ [0,1,0,1,0,0|2,0,0]=4 4906 B12R2.2028 O[C@H]1C[C@H](c2c1cccc2)N 1P028VH9 [0,1,0,1,0,0|1,0,0]=3 4907 B12R2.2075 CC(c1ccccc1)C2OC2 1P01AMGS [0,1,0,1,0,0|1,0,0]=3 4908 B12R2.2075 NC(c1ccccc1)C2CC2 1P002NRQ [0,1,0,1,0,0|2,0,0]=4 4909 B12R2.2075 NC(c1ccccc1)C2CC2 1P003EQ4 [0,1,0,1,0,0|2,0,0]=4 4910 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P001HA8 [0,1,0,1,0,0|2,0,0]=4 4911 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P0074DQ [0,1,0,1,0,0|2,0,0]=4 4912 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00CLDI [0,1,0,1,0,0|2,0,0]=4 4913 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00G2TE [0,1,0,1,0,0|2,0,0]=4 4914 B12R2.2075 OC(c1ccccc1)C2CC2 1P00034H [0,1,0,1,0,0|2,0,0]=4 4915 B12R2.2075 O[C@@H](c1ccccc1)C2CC2 1P0286ZD [0,1,0,1,0,0|2,0,0]=4 4916 B12R2.2075 O[C@H](c1ccccc1)C2CC2 1P028URA [0,1,0,1,0,0|2,0,0]=4 4917 B12R2.2075 SC(c1ccccc1)C2CC2 1P01DVXH [0,1,0,1,0,0|2,0,0]=4 4918 B12R2.79 C[C@@H]1O[C@H]1c2ccc(cc2)Cl 1P0240RJ [0,1,0,1,0,0|2,0,0]=4 4919 B12R2.79 NC1CC1c2ccc(cc2)Br 1P009KIN [0,1,0,1,0,0|0,0,0]=2 4920 B12R2.79 NC1CC1c2ccc(cc2)F 1P00GXJG [0,1,0,1,0,0|0,0,0]=2 4921 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Br 1P01B80U [0,1,0,1,0,0|0,0,0]=2 4922 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)C 1P01C58S [0,1,0,1,0,0|0,0,0]=2 4923 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01B802 [0,1,0,1,0,0|0,0,0]=2 4924 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)F 1P00HSX8 [0,1,0,1,0,0|0,0,0]=2 4925 B12R2.79 N[C@@H]1C[C@H]1c2ccc(nc2)F 1P028L2E [0,1,0,1,0,0|1,0,0]=3 4926 B12R2.79 N[C@@H]1C[C@H]1c2ccc(nc2)F 1P028L4D [0,1,0,1,0,0|1,0,0]=3 4927 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)F 1P002CCH [0,1,0,1,0,0|0,0,0]=2 4928 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)O 1P009QWY [0,1,0,1,0,0|0,0,0]=2 4929 B12R2.79 N[C@H]1C[C@@H]1c2ccc(nc2)Br 1P00ILI8 [0,1,0,1,0,0|1,0,0]=3 4930 B12R2.290 CC1(CC1)c2ccc(cc2)Br 1P01C9PZ [0,1,0,1,0,0|1,0,0]=3 4931 B12R2.290 CC1(CC1)c2ccc(cc2)N 1P01FJS9 [0,1,0,1,0,0|1,0,0]=3 4932 B12R2.290 Cc1ccc(cc1)C2(C)CO2 1P01ABC9 [0,1,0,1,0,0|1,0,0]=3 4933 B12R2.290 FC1(CC1)c2ccc(cc2)Br 1P01DZEA [0,1,0,1,0,0|2,0,0]=4 4934 B12R2.290 NC1(CC1)c2ccc(cc2)Br 1P003DF8 [0,1,0,1,0,0|2,0,0]=4 4935 B12R2.290 NC1(CC1)c2ccc(cc2)Br 1P00IJC2 [0,1,0,1,0,0|2,0,0]=4 4936 B12R2.290 NC1(CC1)c2ccc(cc2)C 1P00096K [0,1,0,1,0,0|2,0,0]=4 4937 B12R2.290 NC1(CC1)c2ccc(cc2)C 1P00DHTC [0,1,0,1,0,0|2,0,0]=4 4938 B12R2.290 NC1(CC1)c2ccc(cc2)Cl 1P0003MF [0,1,0,1,0,0|2,0,0]=4 4939 B12R2.290 NC1(CC1)c2ccc(cc2)Cl 1P005Z9V [0,1,0,1,0,0|2,0,0]=4 4940 B12R2.290 NC1(CC1)c2ccc(cc2)F 1P00093V [0,1,0,1,0,0|2,0,0]=4 4941 B12R2.290 NC1(CC1)c2ccc(cc2)F 1P00I94A [0,1,0,1,0,0|2,0,0]=4 4942 B12R2.290 NC1(CC1)c2ccc(cc2)I 1P00ES98 [0,1,0,1,0,0|2,0,0]=4 4943 B12R2.290 NC1(CC1)c2ccc(cc2)I 1P028BS2 [0,1,0,1,0,0|2,0,0]=4 4944 B12R2.290 OC1(CC1)c2ccc(cc2)Br 1P003AGC [0,1,0,1,0,0|2,0,0]=4 4945 B12R2.290 OC1(CC1)c2ccc(cc2)Cl 1P001SAR [0,1,0,1,0,0|2,0,0]=4 4946 B12R2.290 OC1(CC1)c2ccc(cc2)F 1P01AKVM [0,1,0,1,0,0|2,0,0]=4 4947 B12R2.290 Oc1ccc(cc1)C2(O)CC2 1P01XHNK [0,1,0,1,0,0|2,0,0]=4 4948 B12R2.612 Brc1ccc2c(c1)CCC2N 1P0096R8 [0,1,0,1,0,0|2,0,0]=4 4949 B12R2.612 Brc1ccc2c(c1)CCC2N 1P00APQS [0,1,0,1,0,0|2,0,0]=4 4950 B12R2.612 Brc1ccc2c(c1)CCC2O 1P00CMM6 [0,1,0,1,0,0|2,0,0]=4 4951 B12R2.612 Brc1ccc2c(c1)CCN2C 1P00IKT4 [0,1,0,1,0,0|2,0,0]=4 4952 B12R2.612 Brc1ccc2c(c1)CC[C@@H]2N 1P006FV6 [0,1,0,1,0,0|2,0,0]=4 4953 B12R2.612 Brc1ccc2c(c1)CC[C@@H]2N 1P00H3MA [0,1,0,1,0,0|2,0,0]=4 4954 B12R2.612 Brc1ccc2c(c1)CC[C@@H]2O 1P000X1K [0,1,0,1,0,0|2,0,0]=4 4955 B12R2.612 Brc1ccc2c(c1)CC[C@H]2N 1P000K2Z [0,1,0,1,0,0|2,0,0]=4 4956 B12R2.612 Brc1ccc2c(c1)CC[C@H]2N 1P001JS3 [0,1,0,1,0,0|2,0,0]=4 4957 B12R2.612 Brc1ccc2c(c1)CC[C@H]2O 1P00HAOH [0,1,0,1,0,0|2,0,0]=4 4958 B12R2.612 Brc1ccc2c(c1)NCC2C 1P01DY0A [0,1,0,1,0,0|0,0,0]=2 4959 B12R2.612 Brc1ccc2c(c1)OCC2N 1P0015PI [0,1,0,1,0,0|2,0,0]=4 4960 B12R2.612 Brc1ccc2c(c1)OCC2N 1P006ASH [0,1,0,1,0,0|2,0,0]=4 4961 B12R2.612 Brc1ccc2c(c1)OCC2O 1P00HVXP [0,1,0,1,0,0|2,0,0]=4 4962 B12R2.612 Brc1ccc2c(c1)OC[C@@H]2N 1P01XDNB [0,1,0,1,0,0|2,0,0]=4 4963 B12R2.612 Brc1ccc2c(c1)OC[C@H]2N 1P009ZVI [0,1,0,1,0,0|2,0,0]=4 4964 B12R2.612 Brc1ccc2c(c1)OC[C@H]2N 1P01DUOP [0,1,0,1,0,0|2,0,0]=4 4965 B12R2.612 Brc1ccc2c(c1)SCC2N 1P028ARD [0,1,0,1,0,0|2,0,0]=4 4966 B12R2.612 Brc1ccc2c(c1)SCC2O 1P0283EP [0,1,0,1,0,0|2,0,0]=4 4967 B12R2.612 Brc1ccc2c(c1)[nH]cc2C 1P0016XI [0,1,0,1,0,0|0,0,2]=4 4968 B12R2.612 Brc1ccc2c(c1)[nH]nc2C 1P0053UC [0,1,0,1,0,0|1,0,1]=4 4969 B12R2.612 Cc1ccc2c(c1)CCC2N 1P001YU7 [0,1,0,1,0,0|2,0,0]=4 4970 B12R2.612 Cc1ccc2c(c1)CCC2N 1P00ASPN [0,1,0,1,0,0|2,0,0]=4 4971 B12R2.612 Cc1ccc2c(c1)CCC2O 1P00CVDB [0,1,0,1,0,0|2,0,0]=4 4972 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N 1P024FZB [0,1,0,1,0,0|2,0,0]=4 4973 B12R2.612 Cc1ccc2c(c1)OC[C@@H]2N 1P01DUOQ [0,1,0,1,0,0|2,0,0]=4 4974 B12R2.612 Cc1ccc2c(c1)[nH]cc2C 1P01DX5B [0,1,0,1,0,0|0,0,2]=4 4975 B12R2.612 Clc1ccc2c(c1)CCC2Br 1P002GP8 [0,1,0,1,0,0|2,0,0]=4 4976 B12R2.612 Clc1ccc2c(c1)CCC2Cl 1P01B9H1 [0,1,0,1,0,0|2,0,0]=4 4977 B12R2.612 Clc1ccc2c(c1)CCC2N 1P000Q2R [0,1,0,1,0,0|2,0,0]=4 4978 B12R2.612 Clc1ccc2c(c1)CCC2N 1P006LX5 [0,1,0,1,0,0|2,0,0]=4 4979 B12R2.612 Clc1ccc2c(c1)CCC2O 1P00CJ8N [0,1,0,1,0,0|2,0,0]=4 4980 B12R2.612 Clc1ccc2c(c1)CC[C@@H]2N 1P00HVJ1 [0,1,0,1,0,0|2,0,0]=4 4981 B12R2.612 Clc1ccc2c(c1)CC[C@@H]2N 1P00IIU1 [0,1,0,1,0,0|2,0,0]=4 4982 B12R2.612 Clc1ccc2c(c1)CC[C@@H]2O 1P019RPY [0,1,0,1,0,0|2,0,0]=4 4983 B12R2.612 Clc1ccc2c(c1)CC[C@H]2N 1P00HZCR [0,1,0,1,0,0|2,0,0]=4 4984 B12R2.612 Clc1ccc2c(c1)CC[C@H]2N 1P00IDN2 [0,1,0,1,0,0|2,0,0]=4 4985 B12R2.612 Clc1ccc2c(c1)CC[C@H]2O 1P019RPX [0,1,0,1,0,0|2,0,0]=4 4986 B12R2.612 Clc1ccc2c(c1)OCC2O 1P01BFA9 [0,1,0,1,0,0|2,0,0]=4 4987 B12R2.612 Clc1ccc2c(c1)OC[C@@H]2N 1P01DEC9 [0,1,0,1,0,0|2,0,0]=4 4988 B12R2.612 Clc1ccc2c(c1)OC[C@H]2N 1P01KL81 [0,1,0,1,0,0|2,0,0]=4 4989 B12R2.612 Clc1ccc2c(c1)[nH]cc2C 1P00HYZ2 [0,1,0,1,0,0|0,0,2]=4 4990 B12R2.612 Fc1ccc2c(c1)CCC2N 1P001LRB [0,1,0,1,0,0|2,0,0]=4 4991 B12R2.612 Fc1ccc2c(c1)CCC2N 1P019X57 [0,1,0,1,0,0|2,0,0]=4 4992 B12R2.612 Fc1ccc2c(c1)CCC2O 1P00DLYE [0,1,0,1,0,0|2,0,0]=4 4993 B12R2.612 Fc1ccc2c(c1)CC[C@@H]2O 1P019RPZ [0,1,0,1,0,0|2,0,0]=4 4994 B12R2.612 Fc1ccc2c(c1)CC[C@H]2N 1P0018LU [0,1,0,1,0,0|2,0,0]=4 4995 B12R2.612 Fc1ccc2c(c1)CC[C@H]2N 1P009BF1 [0,1,0,1,0,0|2,0,0]=4 4996 B12R2.612 Fc1ccc2c(c1)CC[C@H]2O 1P019RQ1 [0,1,0,1,0,0|2,0,0]=4 4997 B12R2.612 Fc1ccc2c(c1)OCC2N 1P01EILU [0,1,0,1,0,0|2,0,0]=4 4998 B12R2.612 Fc1ccc2c(c1)OCC2N 1P01JV43 [0,1,0,1,0,0|2,0,0]=4 4999 B12R2.612 Fc1ccc2c(c1)OC[C@@H]2N 1P01DE3P [0,1,0,1,0,0|2,0,0]=4 5000 B12R2.612 Fc1ccc2c(c1)OC[C@H]2N 1P009ZVJ [0,1,0,1,0,0|2,0,0]=4 5001 B12R2.612 Fc1ccc2c(c1)OC[C@H]2N 1P01KL80 [0,1,0,1,0,0|2,0,0]=4 5002 B12R2.612 Fc1ccc2c(c1)[nH]cc2C 1P01DDFJ [0,1,0,1,0,0|0,0,2]=4 5003 B12R2.612 Fc1ccc2c(c1)[nH]nc2C 1P001R2I [0,1,0,1,0,0|1,0,1]=4 5004 B12R2.612 Ic1ccc2c(c1)[nH]nc2C 1P0099PS [0,1,0,1,0,0|1,0,1]=4 5005 B12R2.612 Nc1ccc2c(c1)CCC2N 1P01A96H [0,1,0,1,0,0|2,0,0]=4 5006 B12R2.612 Nc1ccc2c(c1)CCC2N 1P01B6WZ [0,1,0,1,0,0|2,0,0]=4 5007 B12R2.612 Nc1ccc2c(c1)CCN2C 1P000LXA [0,1,0,1,0,0|2,0,0]=4 5008 B12R2.612 Nc1ccc2c(c1)[nH]cc2C 1P00GA7R [0,1,0,1,0,0|0,0,2]=4 5009 B12R2.612 Nc1ccc2c(c1)[nH]nc2C 1P0053NQ [0,1,0,1,0,0|1,0,1]=4 5010 B12R2.612 Oc1ccc2c(c1)CCC2N 1P0282WB [0,1,0,1,0,0|2,0,0]=4 5011 B12R2.612 Oc1ccc2c(c1)CCN2C 1P01BGLY [0,1,0,1,0,0|2,0,0]=4 5012 B12R2.612 Oc1ccc2c(c1)CC[C@@H]2N 1P01XD6I [0,1,0,1,0,0|2,0,0]=4 5013 B12R2.612 Oc1ccc2c(c1)OCC2O 1P019UKE [0,1,0,1,0,0|2,0,0]=4 5014 B12R2.612 Oc1ccc2c(c1)[nH]cc2C 1P00925L [0,1,0,1,0,0|0,0,2]=4 5015 B12R2.612 Oc1ccc2c(c1)[nH]nc2C 1P002DRG [0,1,0,1,0,0|1,0,1]=4 5016 B12R2.2302 Brc1ccc(cc1)C2CCC2 1P00CNTI [0,1,0,1,0,0|1,0,0]=3 5017 B12R2.2302 Brc1ccc(cc1)C2CCN2 1P009W5L [0,1,0,1,0,0|2,0,0]=4 5018 B12R2.2302 Brc1ccc(cc1)C2CCN2 1P02013E [0,1,0,1,0,0|2,0,0]=4 5019 B12R2.2302 Brc1ccc(cc1)C2CCO2 1P01BACK [0,1,0,1,0,0|2,0,0]=4 5020 B12R2.2302 Brc1ccc(cc1)C2CNC2 1P00IGNV [0,1,0,1,0,0|0,0,0]=2 5021 B12R2.2302 Brc1ccc(cc1)C2COC2 1P00A0FW [0,1,0,1,0,0|1,0,0]=3 5022 B12R2.2302 Brc1ccc(cc1)N2CCC2 1P01XBZ2 [0,1,0,1,0,0|2,0,0]=4 5023 B12R2.2302 Brc1ccc(cn1)C2CCC2 1P01BRI7 [0,1,0,1,0,0|2,0,0]=4 5024 B12R2.2302 Brc1ccc(cn1)C2CNC2 1P028GJC [0,1,0,1,0,0|1,0,0]=3 5025 B12R2.2302 Brc1ccc(nc1)C2CCC2 1P009MDM [0,1,0,1,0,0|2,0,0]=4 5026 B12R2.2302 Brc1ccc(nc1)C2CNC2 1P01B8I2 [0,1,0,1,0,0|1,0,0]=3 5027 B12R2.2302 Brc1ccc(nc1)C2CNC2 1P028YX0 [0,1,0,1,0,0|1,0,0]=3 5028 B12R2.2302 Brc1ccc(nc1)C2COC2 1P021Z9L [0,1,0,1,0,0|2,0,0]=4 5029 B12R2.2302 Brc1cnc(nc1)C2CNC2 1P01BSIL [0,1,0,1,0,0|2,0,0]=4 5030 B12R2.2302 Cc1ccc(cc1)C2CCN2 1P0290MN [0,1,0,1,0,0|2,0,0]=4 5031 B12R2.2302 Cc1ccc(cc1)C2CNC2 1P028VQ1 [0,1,0,1,0,0|0,0,0]=2 5032 B12R2.2302 Clc1ccc(cc1)C2CCN2 1P019SM6 [0,1,0,1,0,0|2,0,0]=4 5033 B12R2.2302 Clc1ccc(cc1)C2CCN2 1P01AECY [0,1,0,1,0,0|2,0,0]=4 5034 B12R2.2302 Clc1ccc(cc1)C2CNC2 1P00ID5T [0,1,0,1,0,0|0,0,0]=2 5035 B12R2.2302 Clc1ccc(cc1)C2CNC2 1P01C1VP [0,1,0,1,0,0|0,0,0]=2 5036 B12R2.2302 Clc1ccc(nc1)C2CNC2 1P01FKT9 [0,1,0,1,0,0|1,0,0]=3 5037 B12R2.2302 Fc1ccc(cc1)C2CCN2 1P005WY4 [0,1,0,1,0,0|2,0,0]=4 5038 B12R2.2302 Fc1ccc(cc1)C2CNC2 1P00HFW3 [0,1,0,1,0,0|0,0,0]=2 5039 B12R2.2302 Fc1ccc(cn1)C2CNC2 1P028N07 [0,1,0,1,0,0|1,0,0]=3 5040 B12R2.2302 Ic1ccc(cc1)C2CCC2 1P022LHT [0,1,0,1,0,0|1,0,0]=3 5041 B12R2.2302 Nc1ccc(cc1)C2CCC2 1P01ADBG [0,1,0,1,0,0|1,0,0]=3 5042 B12R2.2302 Nc1ccc(cc1)C2CCC2 1P01L0AD [0,1,0,1,0,0|1,0,0]=3 5043 B12R2.2302 Nc1ccc(cc1)C2COC2 1P0017D3 [0,1,0,1,0,0|1,0,0]=3 5044 B12R2.2302 Nc1ccc(cc1)N2CCC2 1P00BYG4 [0,1,0,1,0,0|2,0,0]=4 5045 B12R2.2302 Nc1ccc(cn1)C2CCC2 1P01AMU3 [0,1,0,1,0,0|2,0,0]=4 5046 B12R2.2302 Nc1ccc(cn1)C2COC2 1P0201BI [0,1,0,1,0,0|2,0,0]=4 5047 B12R2.2302 Oc1ccc(cc1)C2CCC2 1P01AD1O [0,1,0,1,0,0|1,0,0]=3 5048 B12R2.2302 Oc1ccc(cc1)C2CNC2 1P01QIOX [0,1,0,1,0,0|0,0,0]=2 5049 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)Cl 1P028EXQ [0,1,0,1,0,0|1,0,0]=3 5050 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)F 1P01BG41 [0,1,0,1,0,0|1,0,0]=3 5051 B12R2.80 F[C@@H]1C[C@H]1c2cccc(c2)O 1P028WNO [0,1,0,1,0,0|1,0,0]=3 5052 B12R2.80 F[C@H]1C[C@H]1c2cccc(c2)O 1P027Z92 [0,1,0,1,0,0|1,0,0]=3 5053 B12R2.80 NC1CC1c2cccc(c2)Br 1P01AH3C [0,1,0,1,0,0|0,0,0]=2 5054 B12R2.80 NC1CC1c2cccc(c2)Cl 1P003ANK [0,1,0,1,0,0|0,0,0]=2 5055 B12R2.80 NC1CC1c2cccc(c2)Cl 1P019EF0 [0,1,0,1,0,0|0,0,0]=2 5056 B12R2.80 NC1CC1c2cccc(c2)F 1P000PC4 [0,1,0,1,0,0|0,0,0]=2 5057 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)Br 1P009YVM [0,1,0,1,0,0|0,0,0]=2 5058 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)F 1P01BGH8 [0,1,0,1,0,0|0,0,0]=2 5059 B12R2.132 Brc1ccc2c(c1)C(Br)CC2 1P00GPRV [0,1,0,1,0,0|2,0,0]=4 5060 B12R2.132 Brc1ccc2c(c1)C(C)CO2 1P0284FO [0,1,0,1,0,0|1,0,0]=3 5061 B12R2.132 Brc1ccc2c(c1)C(N)CC2 1P00H3KK [0,1,0,1,0,0|2,0,0]=4 5062 B12R2.132 Brc1ccc2c(c1)C(N)CO2 1P01DNRQ [0,1,0,1,0,0|2,0,0]=4 5063 B12R2.132 Brc1ccc2c(c1)C(N)CS2 1P01BFO3 [0,1,0,1,0,0|2,0,0]=4 5064 B12R2.132 Brc1ccc2c(c1)C(O)CC2 1P00GAOJ [0,1,0,1,0,0|2,0,0]=4 5065 B12R2.132 Brc1ccc2c(c1)C(O)CO2 1P01A3HB [0,1,0,1,0,0|2,0,0]=4 5066 B12R2.132 Brc1ccc2c(c1)N(C)CC2 1P021TLR [0,1,0,1,0,0|2,0,0]=4 5067 B12R2.132 Brc1ccc2c(c1)[C@@H](N)CC2 1P009KGP [0,1,0,1,0,0|2,0,0]=4 5068 B12R2.132 Brc1ccc2c(c1)[C@@H](N)CO2 1P009KFS [0,1,0,1,0,0|2,0,0]=4 5069 B12R2.132 Brc1ccc2c(c1)[C@@H](N)CO2 1P009KFT [0,1,0,1,0,0|2,0,0]=4 5070 B12R2.132 Brc1ccc2c(c1)[C@@H](O)CC2 1P028HHU [0,1,0,1,0,0|2,0,0]=4 5071 B12R2.132 Brc1ccc2c(c1)[C@H](N)CC2 1P00ARDM [0,1,0,1,0,0|2,0,0]=4 5072 B12R2.132 Brc1ccc2c(c1)[C@H](N)CO2 1P009KGN [0,1,0,1,0,0|2,0,0]=4 5073 B12R2.132 Brc1ccc2c(c1)[C@H](N)CO2 1P01DNBY [0,1,0,1,0,0|2,0,0]=4 5074 B12R2.132 Brc1ccc2c(c1)[C@H](O)CC2 1P024GX8 [0,1,0,1,0,0|2,0,0]=4 5075 B12R2.132 Brc1ccc2c(c1)c(C)c[nH]2 1P000396 [0,1,0,1,0,0|0,0,2]=4 5076 B12R2.132 Brc1ccc2c(c1)c(C)n[nH]2 1P00D8HF [0,1,0,1,0,0|1,0,1]=4 5077 B12R2.132 Cc1ccc2c(c1)C(N)CC2 1P007BTU [0,1,0,1,0,0|2,0,0]=4 5078 B12R2.132 Cc1ccc2c(c1)C(N)CC2 1P01ABPU [0,1,0,1,0,0|2,0,0]=4 5079 B12R2.132 Cc1ccc2c(c1)C(N)CO2 1P01A0P3 [0,1,0,1,0,0|2,0,0]=4 5080 B12R2.132 Cc1ccc2c(c1)C(O)CC2 1P002D7P [0,1,0,1,0,0|2,0,0]=4 5081 B12R2.132 Cc1ccc2c(c1)[C@H](N)CC2 1P01XDCZ [0,1,0,1,0,0|2,0,0]=4 5082 B12R2.132 Clc1ccc2c(c1)C(Br)CC2 1P01A71D [0,1,0,1,0,0|2,0,0]=4 5083 B12R2.132 Clc1ccc2c(c1)C(N)CC2 1P000IRK [0,1,0,1,0,0|2,0,0]=4 5084 B12R2.132 Clc1ccc2c(c1)C(N)CC2 1P00FGUH [0,1,0,1,0,0|2,0,0]=4 5085 B12R2.132 Clc1ccc2c(c1)C(N)CO2 1P005GKV [0,1,0,1,0,0|2,0,0]=4 5086 B12R2.132 Clc1ccc2c(c1)C(N)CO2 1P006NUL [0,1,0,1,0,0|2,0,0]=4 5087 B12R2.132 Clc1ccc2c(c1)C(O)CC2 1P00DLYF [0,1,0,1,0,0|2,0,0]=4 5088 B12R2.132 Clc1ccc2c(c1)c(C)c[nH]2 1P00FBVN [0,1,0,1,0,0|0,0,2]=4 5089 B12R2.132 Clc1ccc2c(c1)c(C)n[nH]2 1P006AHD [0,1,0,1,0,0|1,0,1]=4 5090 B12R2.132 Fc1ccc2c(c1)C(Br)CC2 1P019UAL [0,1,0,1,0,0|2,0,0]=4 5091 B12R2.132 Fc1ccc2c(c1)C(N)CC2 1P000IRJ [0,1,0,1,0,0|2,0,0]=4 5092 B12R2.132 Fc1ccc2c(c1)C(N)CC2 1P001YU9 [0,1,0,1,0,0|2,0,0]=4 5093 B12R2.132 Fc1ccc2c(c1)C(N)CO2 1P00466W [0,1,0,1,0,0|2,0,0]=4 5094 B12R2.132 Fc1ccc2c(c1)C(O)CC2 1P00DLC6 [0,1,0,1,0,0|2,0,0]=4 5095 B12R2.132 Fc1ccc2c(c1)[C@@H](N)CC2 1P001ATN [0,1,0,1,0,0|2,0,0]=4 5096 B12R2.132 Fc1ccc2c(c1)[C@@H](N)CO2 1P01DUON [0,1,0,1,0,0|2,0,0]=4 5097 B12R2.132 Fc1ccc2c(c1)[C@@H](O)CC2 1P028Z3Q [0,1,0,1,0,0|2,0,0]=4 5098 B12R2.132 Fc1ccc2c(c1)[C@H](N)CC2 1P00FI1K [0,1,0,1,0,0|2,0,0]=4 5099 B12R2.132 Fc1ccc2c(c1)[C@H](N)CO2 1P01KL1X [0,1,0,1,0,0|2,0,0]=4 5100 B12R2.132 Fc1ccc2c(c1)[C@H](O)CC2 1P02883A [0,1,0,1,0,0|2,0,0]=4 5101 B12R2.132 Fc1ccc2c(c1)c(C)c[nH]2 1P00I877 [0,1,0,1,0,0|0,0,2]=4 5102 B12R2.132 Fc1ccc2c(c1)c(C)n[nH]2 1P006AHE [0,1,0,1,0,0|1,0,1]=4 5103 B12R2.132 Ic1ccc2c(c1)c(C)n[nH]2 1P01ED1R [0,1,0,1,0,0|1,0,1]=4 5104 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 1P01FX3K [0,1,0,1,0,0|2,0,0]=4 5105 B12R2.132 Nc1ccc2c(c1)N(C)CC2 1P0092UI [0,1,0,1,0,0|2,0,0]=4 5106 B12R2.132 Nc1ccc2c(c1)c(C)c[nH]2 1P009Q8J [0,1,0,1,0,0|0,0,2]=4 5107 B12R2.132 Nc1ccc2c(c1)c(C)n[nH]2 1P00GS3H [0,1,0,1,0,0|1,0,1]=4 5108 B12R2.132 Oc1ccc2c(c1)C(N)CC2 1P001YUA [0,1,0,1,0,0|2,0,0]=4 5109 B12R2.132 Oc1ccc2c(c1)[C@@H](N)CC2 1P01DYKI [0,1,0,1,0,0|2,0,0]=4 5110 B12R2.132 Oc1ccc2c(c1)[C@H](N)CC2 1P001YXE [0,1,0,1,0,0|2,0,0]=4 5111 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 1P007B2P [0,1,0,1,0,0|0,0,2]=4 5112 B12R2.132 Oc1ccc2c(c1)c(C)n[nH]2 1P00GYUA [0,1,0,1,0,0|1,0,1]=4 5113 B12R2.196 BrC1CCc2c1cccc2F 1P019TYG [0,1,0,1,0,0|2,0,0]=4 5114 B12R2.196 Brc1cccc2c1[nH]nc2C 1P000HMV [0,1,0,1,0,0|1,0,1]=4 5115 B12R2.196 CC1CNc2c1cccc2N 1P01BPPJ [0,1,0,1,0,0|0,0,0]=2 5116 B12R2.196 CN1CCc2c1cccc2N 1P0289OJ [0,1,0,1,0,0|2,0,0]=4 5117 B12R2.196 Cc1c[nH]c2c1cccc2Br 1P004IM8 [0,1,0,1,0,0|0,0,2]=4 5118 B12R2.196 Cc1c[nH]c2c1cccc2C 1P019ZE4 [0,1,0,1,0,0|0,0,2]=4 5119 B12R2.196 Cc1c[nH]c2c1cccc2N 1P0097BS [0,1,0,1,0,0|0,0,2]=4 5120 B12R2.196 ClC1CCc2c1cccc2Br 1P01A2HJ [0,1,0,1,0,0|2,0,0]=4 5121 B12R2.196 ClC1CCc2c1cccc2Cl 1P01A2KQ [0,1,0,1,0,0|2,0,0]=4 5122 B12R2.196 ClC1CCc2c1cccc2F 1P01A2HQ [0,1,0,1,0,0|2,0,0]=4 5123 B12R2.196 Clc1cccc2c1[nH]nc2C 1P01K21H [0,1,0,1,0,0|1,0,1]=4 5124 B12R2.196 Fc1cccc2c1[nH]nc2C 1P0005WC [0,1,0,1,0,0|1,0,1]=4 5125 B12R2.196 NC1CCc2c1cccc2Br 1P00A01W [0,1,0,1,0,0|2,0,0]=4 5126 B12R2.196 NC1CCc2c1cccc2Br 1P00GYUK [0,1,0,1,0,0|2,0,0]=4 5127 B12R2.196 NC1CCc2c1cccc2C 1P007BTT [0,1,0,1,0,0|2,0,0]=4 5128 B12R2.196 NC1CCc2c1cccc2C 1P01ABHL [0,1,0,1,0,0|2,0,0]=4 5129 B12R2.196 NC1CCc2c1cccc2Cl 1P00FHH9 [0,1,0,1,0,0|2,0,0]=4 5130 B12R2.196 NC1CCc2c1cccc2Cl 1P00FI0I [0,1,0,1,0,0|2,0,0]=4 5131 B12R2.196 NC1CCc2c1cccc2F 1P001LRA [0,1,0,1,0,0|2,0,0]=4 5132 B12R2.196 NC1CCc2c1cccc2F 1P00II64 [0,1,0,1,0,0|2,0,0]=4 5133 B12R2.196 NC1CCc2c1cccc2N 1P0280VE [0,1,0,1,0,0|2,0,0]=4 5134 B12R2.196 NC1CCc2c1cccc2O 1P009KHM [0,1,0,1,0,0|2,0,0]=4 5135 B12R2.196 NC1CCc2c1cccc2O 1P00DK7V [0,1,0,1,0,0|2,0,0]=4 5136 B12R2.196 NC1COc2c1cccc2Br 1P00HIZ3 [0,1,0,1,0,0|2,0,0]=4 5137 B12R2.196 NC1COc2c1cccc2Cl 1P01A007 [0,1,0,1,0,0|2,0,0]=4 5138 B12R2.196 NC1COc2c1cccc2Cl 1P01AEPE [0,1,0,1,0,0|2,0,0]=4 5139 B12R2.196 NC1COc2c1cccc2F 1P01KLBT [0,1,0,1,0,0|2,0,0]=4 5140 B12R2.196 NC1COc2c1cccc2F 1P02928O [0,1,0,1,0,0|2,0,0]=4 5141 B12R2.196 N[C@@H]1CCc2c1cccc2Br 1P000K31 [0,1,0,1,0,0|2,0,0]=4 5142 B12R2.196 N[C@@H]1CCc2c1cccc2Br 1P000VB9 [0,1,0,1,0,0|2,0,0]=4 5143 B12R2.196 N[C@@H]1CCc2c1cccc2C 1P01XCV4 [0,1,0,1,0,0|2,0,0]=4 5144 B12R2.196 N[C@@H]1CCc2c1cccc2Cl 1P01EILH [0,1,0,1,0,0|2,0,0]=4 5145 B12R2.196 N[C@@H]1CCc2c1cccc2F 1P001UTO [0,1,0,1,0,0|2,0,0]=4 5146 B12R2.196 N[C@@H]1CCc2c1cccc2O 1P01K4FR [0,1,0,1,0,0|2,0,0]=4 5147 B12R2.196 N[C@@H]1COc2c1cccc2Br 1P009ZVL [0,1,0,1,0,0|2,0,0]=4 5148 B12R2.196 N[C@@H]1COc2c1cccc2Cl 1P00I4EC [0,1,0,1,0,0|2,0,0]=4 5149 B12R2.196 N[C@@H]1COc2c1cccc2F 1P009ZVN [0,1,0,1,0,0|2,0,0]=4 5150 B12R2.196 N[C@@H]1COc2c1cccc2F 1P01KLBH [0,1,0,1,0,0|2,0,0]=4 5151 B12R2.196 N[C@H]1CCc2c1cccc2Br 1P000K2U [0,1,0,1,0,0|2,0,0]=4 5152 B12R2.196 N[C@H]1CCc2c1cccc2Br 1P000VEL [0,1,0,1,0,0|2,0,0]=4 5153 B12R2.196 N[C@H]1CCc2c1cccc2C 1P01DECP [0,1,0,1,0,0|2,0,0]=4 5154 B12R2.196 N[C@H]1CCc2c1cccc2Cl 1P01DUMY [0,1,0,1,0,0|2,0,0]=4 5155 B12R2.196 N[C@H]1CCc2c1cccc2F 1P000YQS [0,1,0,1,0,0|2,0,0]=4 5156 B12R2.196 N[C@H]1CCc2c1cccc2F 1P00IIUN [0,1,0,1,0,0|2,0,0]=4 5157 B12R2.196 N[C@H]1CCc2c1cccc2O 1P01K4FJ [0,1,0,1,0,0|2,0,0]=4 5158 B12R2.196 N[C@H]1COc2c1cccc2Br 1P009ZUD [0,1,0,1,0,0|2,0,0]=4 5159 B12R2.196 N[C@H]1COc2c1cccc2Br 1P01XD9Q [0,1,0,1,0,0|2,0,0]=4 5160 B12R2.196 N[C@H]1COc2c1cccc2Cl 1P01DE92 [0,1,0,1,0,0|2,0,0]=4 5161 B12R2.196 N[C@H]1COc2c1cccc2F 1P01DE6F [0,1,0,1,0,0|2,0,0]=4 5162 B12R2.196 OC1CCc2c1cccc2Br 1P001XAB [0,1,0,1,0,0|2,0,0]=4 5163 B12R2.196 OC1CCc2c1cccc2C 1P00FHKP [0,1,0,1,0,0|2,0,0]=4 5164 B12R2.196 OC1CCc2c1cccc2Cl 1P00CNC5 [0,1,0,1,0,0|2,0,0]=4 5165 B12R2.196 OC1CCc2c1cccc2F 1P00DV2H [0,1,0,1,0,0|2,0,0]=4 5166 B12R2.196 OC1COc2c1cccc2Br 1P001CV8 [0,1,0,1,0,0|2,0,0]=4 5167 B12R2.196 OC1COc2c1cccc2Cl 1P00OVNQ [0,1,0,1,0,0|2,0,0]=4 5168 B12R2.196 O[C@@H]1CCc2c1cccc2Br 1P028TEM [0,1,0,1,0,0|2,0,0]=4 5169 B12R2.196 O[C@@H]1CCc2c1cccc2Cl 1P019RPU [0,1,0,1,0,0|2,0,0]=4 5170 B12R2.196 O[C@@H]1CCc2c1cccc2F 1P01BIVG [0,1,0,1,0,0|2,0,0]=4 5171 B12R2.196 O[C@H]1CCc2c1cccc2Br 1P00GB2E [0,1,0,1,0,0|2,0,0]=4 5172 B12R2.196 O[C@H]1CCc2c1cccc2Cl 1P019RPT [0,1,0,1,0,0|2,0,0]=4 5173 B12R2.196 O[C@H]1CCc2c1cccc2F 1P01BIVE [0,1,0,1,0,0|2,0,0]=4 5174 B12R2.196 O[C@H]1CCc2c1cccc2O 1P028ELO [0,1,0,1,0,0|2,0,0]=4 5175 B12R2.1282 Brc1cccc(c1)C2(C)CC2 1P01DEGC [0,1,0,1,0,0|1,0,0]=3 5176 B12R2.1282 Brc1cccc(c1)C2(F)CC2 1P01ELMC [0,1,0,1,0,0|2,0,0]=4 5177 B12R2.1282 Brc1cccc(c1)C2(N)CC2 1P003DD4 [0,1,0,1,0,0|2,0,0]=4 5178 B12R2.1282 Brc1cccc(c1)C2(N)CC2 1P00EL15 [0,1,0,1,0,0|2,0,0]=4 5179 B12R2.1282 Brc1cccc(c1)C2(O)CC2 1P01ENCE [0,1,0,1,0,0|2,0,0]=4 5180 B12R2.1282 Cc1cccc(c1)C2(N)CC2 1P00095A [0,1,0,1,0,0|2,0,0]=4 5181 B12R2.1282 Cc1cccc(c1)C2(N)CC2 1P00DDAK [0,1,0,1,0,0|2,0,0]=4 5182 B12R2.1282 Clc1cccc(c1)C2(N)CC2 1P00162N [0,1,0,1,0,0|2,0,0]=4 5183 B12R2.1282 Clc1cccc(c1)C2(N)CC2 1P00D8UB [0,1,0,1,0,0|2,0,0]=4 5184 B12R2.1282 Clc1cccc(n1)C2(C)CO2 1P028ZQR [0,1,0,1,0,0|2,0,0]=4 5185 B12R2.1282 Fc1cccc(c1)C2(N)CC2 1P005YCN [0,1,0,1,0,0|2,0,0]=4 5186 B12R2.1282 Fc1cccc(c1)C2(N)CC2 1P00FE9P [0,1,0,1,0,0|2,0,0]=4 5187 B12R2.1282 Ic1cccc(c1)C2(N)CC2 1P00GOHU [0,1,0,1,0,0|2,0,0]=4 5188 B12R2.1282 Nc1cccc(c1)C2(C)CC2 1P01FJSA [0,1,0,1,0,0|1,0,0]=3 5189 B12R2.1282 Nc1cccc(c1)C2(N)CC2 1P027XLI [0,1,0,1,0,0|2,0,0]=4 5190 B12R2.1282 Nc1cccc(c1)C2(N)CC2 1P0281HV [0,1,0,1,0,0|2,0,0]=4 5191 B12R2.1282 Oc1cccc(c1)C2(N)CC2 1P0285Y2 [0,1,0,1,0,0|2,0,0]=4 5192 B12R2.1282 Oc1cccc(c1)C2(O)CC2 1P028WWW [0,1,0,1,0,0|2,0,0]=4 5193 B12R2.1728 NCC1Cc2c1cc(cc2)Br 1P027UW6 [0,1,0,1,0,0|0,0,0]=2 5194 B12R2.2313 Brc1cccc(c1)C2CCC2 1P00ATK6 [0,1,0,1,0,0|1,0,0]=3 5195 B12R2.2313 Brc1cccc(c1)C2CCN2 1P01A6ZP [0,1,0,1,0,0|2,0,0]=4 5196 B12R2.2313 Brc1cccc(c1)C2CCN2 1P01AFD5 [0,1,0,1,0,0|2,0,0]=4 5197 B12R2.2313 Brc1cccc(c1)C2CCO2 1P023OU4 [0,1,0,1,0,0|2,0,0]=4 5198 B12R2.2313 Brc1cccc(c1)C2CNC2 1P00HFWD [0,1,0,1,0,0|0,0,0]=2 5199 B12R2.2313 Brc1cccc(c1)C2COC2 1P0099KC [0,1,0,1,0,0|1,0,0]=3 5200 B12R2.2313 Brc1ccnc(c1)C2CCC2 1P003BAZ [0,1,0,1,0,0|2,0,0]=4 5201 B12R2.2313 Cc1cccc(c1)C2CNC2 1P028C60 [0,1,0,1,0,0|0,0,0]=2 5202 B12R2.2313 Cc1ncnc(c1)C2CNC2 1P0280QK [0,1,0,1,0,0|2,0,0]=4 5203 B12R2.2313 Clc1cccc(c1)C2CCN2 1P028IKW [0,1,0,1,0,0|2,0,0]=4 5204 B12R2.2313 Clc1cccc(c1)C2CNC2 1P01C1VO [0,1,0,1,0,0|0,0,0]=2 5205 B12R2.2313 Clc1nccc(c1)C2CCC2 1P028AXQ [0,1,0,1,0,0|2,0,0]=4 5206 B12R2.2313 Fc1cccc(c1)C2CCN2 1P019SU6 [0,1,0,1,0,0|2,0,0]=4 5207 B12R2.2313 Fc1cccc(c1)C2CNC2 1P008S68 [0,1,0,1,0,0|0,0,0]=2 5208 B12R2.2313 Fc1cccc(c1)C2CNC2 1P008WJ5 [0,1,0,1,0,0|0,0,0]=2 5209 B12R2.2313 Fc1cccc(n1)C2CNC2 1P028VDY [0,1,0,1,0,0|1,0,0]=3 5210 B12R2.2313 Fc1cncc(c1)C2CNC2 1P028F2Q [0,1,0,1,0,0|1,0,0]=3 5211 B12R2.2313 Ic1ccnc(c1)C2CCC2 1P02863V [0,1,0,1,0,0|2,0,0]=4 5212 B12R2.2313 Nc1cccc(c1)C2CCC2 1P01BD4P [0,1,0,1,0,0|1,0,0]=3 5213 B12R2.2313 Nc1cccc(c1)C2COC2 1P01M6DW [0,1,0,1,0,0|1,0,0]=3 5214 B12R2.2313 Nc1nccc(c1)C2COC2 1P003B7G [0,1,0,1,0,0|2,0,0]=4 5215 B12R2.2313 Nc1nccc(n1)C2CNC2 1P01FJ8H [0,1,0,1,0,0|2,0,0]=4 5216 B12R2.2313 Oc1cccc(c1)C2CCC2 1P01S41U [0,1,0,1,0,0|1,0,0]=3 5217 B12R2.2313 Oc1cccc(c1)C2CNC2 1P028LLT [0,1,0,1,0,0|0,0,0]=2 5218 B12R2.2313 Oc1cccc(c1)C2COC2 1P028Z9Y [0,1,0,1,0,0|1,0,0]=3 5219 B12R2.2313 Oc1ccnc(n1)C2CNC2 1P01FKD3 [0,1,0,1,0,0|2,0,0]=4 5220 B12R2.92 CC1(C)NC1c2ccccc2 1P00I4Z8 [0,1,0,1,0,0|2,0,0]=4 5221 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [0,1,0,1,0,0|2,0,0]=4 5222 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 1P01AMOG [0,1,0,1,0,0|0,0,0]=2 5223 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [0,1,0,1,0,0|1,0,0]=3 5224 B12R2.92 C[C@]1(N)C[C@@H]1c2ccccc2 1P028V4E [0,1,0,1,0,0|0,0,0]=2 5225 B12R2.92 ClC1(Cl)CC1c2ccccc2 1P003C12 [0,1,0,1,0,0|1,0,0]=3 5226 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,1,0,1,0,0|1,0,1]=4 5227 B12R2.3190 CC(C1Cc2c1cccc2)N 1P01A5WI [0,1,0,1,0,0|0,0,0]=2 5228 B12R2.3190 ClC(=O)C1Cc2c1cccc2 1P001F99 [0,1,0,1,0,0|1,0,1]=4 5229 B12R2.3190 NC(=N)C1Cc2c1cccc2 1P01A5IY [0,1,0,1,0,0|0,0,1]=3 5230 B12R2.3190 OC(=O)C1Cc2c1cccc2 1P001IVS [0,1,0,1,0,0|1,0,1]=4 5231 B12R2.88 Brc1ccccc1C2(C)CC2 1P00A0G2 [0,1,0,1,0,0|1,0,0]=3 5232 B12R2.88 Brc1ccccc1C2(N)CC2 1P009Y01 [0,1,0,1,0,0|2,0,0]=4 5233 B12R2.88 Brc1ccccc1C2(N)CC2 1P00IB67 [0,1,0,1,0,0|2,0,0]=4 5234 B12R2.88 Brc1ccccc1C2(O)CC2 1P01A1NC [0,1,0,1,0,0|2,0,0]=4 5235 B12R2.88 Cc1ccccc1C2(N)CC2 1P000957 [0,1,0,1,0,0|2,0,0]=4 5236 B12R2.88 Cc1ccccc1C2(N)CC2 1P006V5O [0,1,0,1,0,0|2,0,0]=4 5237 B12R2.88 Clc1ccccc1C2(N)CC2 1P000958 [0,1,0,1,0,0|2,0,0]=4 5238 B12R2.88 Clc1ccccc1C2(N)CC2 1P004JTV [0,1,0,1,0,0|2,0,0]=4 5239 B12R2.88 Clc1ccccc1C2(O)CC2 1P0290V1 [0,1,0,1,0,0|2,0,0]=4 5240 B12R2.88 Fc1ccccc1C2(N)CC2 1P004AI1 [0,1,0,1,0,0|2,0,0]=4 5241 B12R2.88 Fc1ccccc1C2(N)CC2 1P00HGQO [0,1,0,1,0,0|2,0,0]=4 5242 B12R2.88 Fc1ccccc1C2(O)CC2 1P028WXZ [0,1,0,1,0,0|2,0,0]=4 5243 B12R2.88 Ic1ccccc1C2(N)CC2 1P028BQW [0,1,0,1,0,0|2,0,0]=4 5244 B12R2.88 Nc1ccccc1C2(C)CC2 1P01FJSF [0,1,0,1,0,0|1,0,0]=3 5245 B12R2.88 Oc1ccccc1C2(O)CC2 1P0288NF [0,1,0,1,0,0|2,0,0]=4 5246 B12R2.115 BrC1CC1c2ccccc2F 1P0292LD [0,1,0,1,0,0|1,0,0]=3 5247 B12R2.115 NC1CC1c2ccccc2Br 1P01ABGY [0,1,0,1,0,0|0,0,0]=2 5248 B12R2.115 NC1CC1c2ccccc2F 1P01AH4Q [0,1,0,1,0,0|0,0,0]=2 5249 B12R2.115 N[C@@H]1C[C@@H]1c2ccccc2F 1P024KHM [0,1,0,1,0,0|0,0,0]=2 5250 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2C 1P01B80J [0,1,0,1,0,0|0,0,0]=2 5251 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Cl 1P01B818 [0,1,0,1,0,0|0,0,0]=2 5252 B12R2.203 BrC1CCc2c1c(Cl)ccc2 1P01JP5U [0,1,0,1,0,0|2,0,0]=4 5253 B12R2.203 BrC1CCc2c1c(F)ccc2 1P028756 [0,1,0,1,0,0|2,0,0]=4 5254 B12R2.203 Brc1cccc2c1c(C)n[nH]2 1P000HMX [0,1,0,1,0,0|1,0,1]=4 5255 B12R2.203 Cc1c[nH]c2c1c(Br)ccc2 1P003LF4 [0,1,0,1,0,0|0,0,2]=4 5256 B12R2.203 Cc1c[nH]c2c1c(F)ccc2 1P00927Q [0,1,0,1,0,0|0,0,2]=4 5257 B12R2.203 Cc1c[nH]c2c1c(O)ccc2 1P009RGD [0,1,0,1,0,0|0,0,2]=4 5258 B12R2.203 Clc1cccc2c1c(C)n[nH]2 1P001X6B [0,1,0,1,0,0|1,0,1]=4 5259 B12R2.203 NC1CCc2c1c(Br)ccc2 1P0096PJ [0,1,0,1,0,0|2,0,0]=4 5260 B12R2.203 NC1CCc2c1c(Br)ccc2 1P01DE72 [0,1,0,1,0,0|2,0,0]=4 5261 B12R2.203 NC1CCc2c1c(C)ccc2 1P01JV53 [0,1,0,1,0,0|2,0,0]=4 5262 B12R2.203 NC1CCc2c1c(Cl)ccc2 1P024G12 [0,1,0,1,0,0|2,0,0]=4 5263 B12R2.203 NC1CCc2c1c(F)ccc2 1P0220NY [0,1,0,1,0,0|2,0,0]=4 5264 B12R2.203 NC1COc2c1c(Br)ccc2 1P01K51V [0,1,0,1,0,0|2,0,0]=4 5265 B12R2.203 NC1COc2c1c(Cl)ccc2 1P01BC3N [0,1,0,1,0,0|2,0,0]=4 5266 B12R2.203 NC1COc2c1c(F)ccc2 1P01A6PI [0,1,0,1,0,0|2,0,0]=4 5267 B12R2.203 N[C@@H]1COc2c1c(Br)ccc2 1P01KKUF [0,1,0,1,0,0|2,0,0]=4 5268 B12R2.203 N[C@@H]1COc2c1c(F)ccc2 1P009ZV7 [0,1,0,1,0,0|2,0,0]=4 5269 B12R2.203 N[C@@H]1COc2c1c(F)ccc2 1P01KL4P [0,1,0,1,0,0|2,0,0]=4 5270 B12R2.203 N[C@H]1CCc2c1c(F)ccc2 1P01ENIW [0,1,0,1,0,0|2,0,0]=4 5271 B12R2.203 N[C@H]1COc2c1c(Cl)ccc2 1P01DUOO [0,1,0,1,0,0|2,0,0]=4 5272 B12R2.203 N[C@H]1COc2c1c(F)ccc2 1P01DE6R [0,1,0,1,0,0|2,0,0]=4 5273 B12R2.203 OC1CCc2c1c(Br)ccc2 1P01JKQH [0,1,0,1,0,0|2,0,0]=4 5274 B12R2.203 OC1CCc2c1c(C)ccc2 1P00ICZB [0,1,0,1,0,0|2,0,0]=4 5275 B12R2.203 OC1CSc2c1c(Br)ccc2 1P01W8OH [0,1,0,1,0,0|2,0,0]=4 5276 B12R2.203 Oc1cccc2c1c(C)n[nH]2 1P001LU1 [0,1,0,1,0,0|1,0,1]=4 5277 B12R2.517 Brc1ccccc1C2CCC2 1P01AGGT [0,1,0,1,0,0|1,0,0]=3 5278 B12R2.517 Brc1ccccc1C2CCO2 1P01DQSV [0,1,0,1,0,0|2,0,0]=4 5279 B12R2.517 Brc1ccccc1C2COC2 1P020JK3 [0,1,0,1,0,0|1,0,0]=3 5280 B12R2.517 Brc1cccnc1C2CCC2 1P028QH8 [0,1,0,1,0,0|2,0,0]=4 5281 B12R2.517 Brc1ncccc1C2CNC2 1P028S7A [0,1,0,1,0,0|1,0,0]=3 5282 B12R2.517 Cc1ccccc1C2CNC2 1P0287WD [0,1,0,1,0,0|0,0,0]=2 5283 B12R2.517 Clc1cnccc1C2CCC2 1P028UST [0,1,0,1,0,0|2,0,0]=4 5284 B12R2.517 Fc1ccccc1C2CCN2 1P019SDM [0,1,0,1,0,0|2,0,0]=4 5285 B12R2.517 Fc1ccccc1C2CCN2 1P019THD [0,1,0,1,0,0|2,0,0]=4 5286 B12R2.517 Fc1ccccc1C2CNC2 1P00HFWM [0,1,0,1,0,0|0,0,0]=2 5287 B12R2.517 Fc1ccccc1C2CNC2 1P01ALMH [0,1,0,1,0,0|0,0,0]=2 5288 B12R2.517 Fc1cccnc1C2CNC2 1P028XAX [0,1,0,1,0,0|1,0,0]=3 5289 B12R2.517 Ic1ccccc1C2COC2 1P00I13N [0,1,0,1,0,0|1,0,0]=3 5290 B12R2.517 Nc1ccccc1C2CCC2 1P01FJSB [0,1,0,1,0,0|1,0,0]=3 5291 B12R2.1783 N#CC1Cc2c1c(Br)ccc2 1P01DWQ2 [0,1,0,1,0,0|0,0,2]=4 5292 B12R2.1783 N#CC1Cc2c1c(F)ccc2 1P01BG5C [0,1,0,1,0,0|0,0,2]=4 5293 B12R3.12 c1ccc2c(c1)C3OC3C2 1P005ULA [0,0,0,2,0,0|2,0,0]=4 5294 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [1,0,0,0,1,0|1,0,1]=4 5295 B8R1.7 CC(C1=[C-]CC=C1)C 1P003VP2 [1,0,0,0,1,0|0,0,2]=4 5296 B8R1.7 CC([C-]1C=CC=C1)O 1P000XSK [1,0,0,0,1,0|1,0,1]=4 5297 B8R1.7 CC(c1[nH]cnc1)N 1P01K4D3 [1,0,0,0,1,0|2,0,0]=4 5298 B8R1.7 CC(c1c[nH]cc1)N 1P01A4UJ [1,0,0,0,1,0|1,0,0]=3 5299 B8R1.7 CC(c1c[nH]nc1)C 1P0013YN [1,0,0,0,1,0|2,0,0]=4 5300 B8R1.7 CC(c1c[nH]nc1)C 1P00J2T0 [1,0,0,0,1,0|2,0,0]=4 5301 B8R1.7 CC(c1c[nH]nc1)N 1P01A3A5 [1,0,0,0,1,0|2,0,0]=4 5302 B8R1.7 CC(c1c[nH]nc1)N 1P01AF15 [1,0,0,0,1,0|2,0,0]=4 5303 B8R1.7 CC(c1c[nH]nc1)N 1P028UUT [1,0,0,0,1,0|2,0,0]=4 5304 B8R1.7 CC(c1cc[nH]n1)C 1P003K2S [1,0,0,0,1,0|2,0,0]=4 5305 B8R1.7 CC(c1cc[nH]n1)N 1P0092LE [1,0,0,0,1,0|2,0,0]=4 5306 B8R1.7 CC(c1cc[nH]n1)N 1P00AO49 [1,0,0,0,1,0|2,0,0]=4 5307 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [1,0,0,0,1,0|1,0,0]=3 5308 B8R1.7 CC(c1ccco1)C 1P003HYG [1,0,0,0,1,0|1,0,0]=3 5309 B8R1.7 CC(c1ccco1)N 1P00BDMZ [1,0,0,0,1,0|1,0,0]=3 5310 B8R1.7 CC(c1ccco1)N 1P019N05 [1,0,0,0,1,0|1,0,0]=3 5311 B8R1.7 CC(c1ccco1)O 1P00I8MZ [1,0,0,0,1,0|2,0,0]=4 5312 B8R1.7 CC(c1ccco1)S 1P01A8IC [1,0,0,0,1,0|2,0,0]=4 5313 B8R1.7 CC(c1cccs1)N 1P0032QU [1,0,0,0,1,0|1,0,0]=3 5314 B8R1.7 CC(c1cccs1)N 1P00ATK3 [1,0,0,0,1,0|1,0,0]=3 5315 B8R1.7 CC(c1cccs1)O 1P002MMU [1,0,0,0,1,0|2,0,0]=4 5316 B8R1.7 CC(c1cccs1)S 1P01AKH2 [1,0,0,0,1,0|2,0,0]=4 5317 B8R1.7 CC(c1ccns1)N 1P01BY3O [1,0,0,0,1,0|2,0,0]=4 5318 B8R1.7 CC(c1ccns1)N 1P01BY4V [1,0,0,0,1,0|2,0,0]=4 5319 B8R1.7 CC(c1ccon1)N 1P01A3YI [1,0,0,0,1,0|2,0,0]=4 5320 B8R1.7 CC(c1ccon1)N 1P01AF6D [1,0,0,0,1,0|2,0,0]=4 5321 B8R1.7 CC(c1cncs1)N 1P0099H5 [1,0,0,0,1,0|2,0,0]=4 5322 B8R1.7 CC(c1cncs1)N 1P01EII7 [1,0,0,0,1,0|2,0,0]=4 5323 B8R1.7 CC(c1cocc1)N 1P00BDB1 [1,0,0,0,1,0|1,0,0]=3 5324 B8R1.7 CC(c1cocc1)N 1P01A1FQ [1,0,0,0,1,0|1,0,0]=3 5325 B8R1.7 CC(c1cocc1)S 1P0291JO [1,0,0,0,1,0|2,0,0]=4 5326 B8R1.7 CC(c1cocn1)N 1P0286V2 [1,0,0,0,1,0|2,0,0]=4 5327 B8R1.7 CC(c1cscc1)N 1P008U4D [1,0,0,0,1,0|1,0,0]=3 5328 B8R1.7 CC(c1cscc1)O 1P00AT04 [1,0,0,0,1,0|2,0,0]=4 5329 B8R1.7 CC(c1cscn1)N 1P0089QY [1,0,0,0,1,0|2,0,0]=4 5330 B8R1.7 CC(c1csnc1)N 1P027Z0S [1,0,0,0,1,0|2,0,0]=4 5331 B8R1.7 CC(c1nc[nH]c1)C 1P003M28 [1,0,0,0,1,0|2,0,0]=4 5332 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [1,0,0,0,1,0|2,0,0]=4 5333 B8R1.7 CC(c1ncc[nH]1)C 1P003BPB [1,0,0,0,1,0|2,0,0]=4 5334 B8R1.7 CC(c1ncc[nH]1)N 1P00J2U6 [1,0,0,0,1,0|2,0,0]=4 5335 B8R1.7 CC(c1ncco1)N 1P00HBMP [1,0,0,0,1,0|2,0,0]=4 5336 B8R1.7 CC(c1ncco1)N 1P01BDX7 [1,0,0,0,1,0|2,0,0]=4 5337 B8R1.7 CC(c1nccs1)N 1P003DCD [1,0,0,0,1,0|2,0,0]=4 5338 B8R1.7 CC(c1nccs1)N 1P003DCE [1,0,0,0,1,0|2,0,0]=4 5339 B8R1.7 CC(c1ocnc1)C 1P01E7KI [1,0,0,0,1,0|2,0,0]=4 5340 B8R1.7 CC(c1ocnc1)N 1P01EIHC [1,0,0,0,1,0|2,0,0]=4 5341 B8R1.7 CC(c1scnc1)C 1P001WUZ [1,0,0,0,1,0|2,0,0]=4 5342 B8R1.7 CC(c1scnc1)N 1P024UN9 [1,0,0,0,1,0|2,0,0]=4 5343 B8R1.7 CC(n1cccn1)C 1P002E7T [1,0,0,0,1,0|2,0,0]=4 5344 B8R1.7 CC(n1cncc1)C 1P003397 [1,0,0,0,1,0|2,0,0]=4 5345 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [1,0,0,0,1,0|2,0,0]=4 5346 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [1,0,0,0,1,0|1,0,0]=3 5347 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [1,0,0,0,1,0|1,0,0]=3 5348 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [1,0,0,0,1,0|2,0,0]=4 5349 B8R1.7 C[C@@H](c1cocc1)N 1P01KKHI [1,0,0,0,1,0|1,0,0]=3 5350 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [1,0,0,0,1,0|2,0,0]=4 5351 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [1,0,0,0,1,0|1,0,0]=3 5352 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [1,0,0,0,1,0|1,0,0]=3 5353 B8R1.7 C[C@@H](c1ncc[nH]1)N 1P01ALS4 [1,0,0,0,1,0|2,0,0]=4 5354 B8R1.7 C[C@@H](c1nccs1)N 1P01KKJR [1,0,0,0,1,0|2,0,0]=4 5355 B8R1.7 C[C@@H](c1ncsc1)N 1P01K4C3 [1,0,0,0,1,0|2,0,0]=4 5356 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [1,0,0,0,1,0|2,0,0]=4 5357 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [1,0,0,0,1,0|1,0,0]=3 5358 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [1,0,0,0,1,0|2,0,0]=4 5359 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [1,0,0,0,1,0|1,0,0]=3 5360 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [1,0,0,0,1,0|1,0,0]=3 5361 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [1,0,0,0,1,0|2,0,0]=4 5362 B8R1.7 C[C@H](c1cocc1)N 1P028M77 [1,0,0,0,1,0|1,0,0]=3 5363 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [1,0,0,0,1,0|2,0,0]=4 5364 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [1,0,0,0,1,0|1,0,0]=3 5365 B8R1.7 C[C@H](c1ncc[nH]1)N 1P01AM7T [1,0,0,0,1,0|2,0,0]=4 5366 B8R1.7 C[C@H](c1nccs1)N 1P00IN44 [1,0,0,0,1,0|2,0,0]=4 5367 B8R1.7 C[C@H](c1ncsc1)N 1P01K4RV [1,0,0,0,1,0|2,0,0]=4 5368 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [1,0,0,0,1,0|2,0,0]=4 5369 B8R1.8 BrCCc1cccs1 1P002TU6 [1,0,0,0,1,0|2,0,0]=4 5370 B8R1.8 BrCCc1cscc1 1P00EEU2 [1,0,0,0,1,0|2,0,0]=4 5371 B8R1.8 BrCCn1cccc1 1P003DA3 [1,0,0,0,1,0|2,0,0]=4 5372 B8R1.8 CCCc1ccc[nH]1 1P007FSL [1,0,0,0,1,0|2,0,0]=4 5373 B8R1.8 CCCc1cccs1 1P003IDK [1,0,0,0,1,0|2,0,0]=4 5374 B8R1.8 CCCc1cscc1 1P003KB0 [1,0,0,0,1,0|2,0,0]=4 5375 B8R1.8 ClCCc1cccs1 1P002CY4 [1,0,0,0,1,0|2,0,0]=4 5376 B8R1.8 ClCCn1cccc1 1P003DAD [1,0,0,0,1,0|2,0,0]=4 5377 B8R1.8 NCCc1[nH]cnc1 1P002N9R [1,0,0,0,1,0|2,0,0]=4 5378 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [1,0,0,0,1,0|1,0,0]=3 5379 B8R1.8 NCCc1c[nH]cn1 1P0037UP [1,0,0,0,1,0|2,0,0]=4 5380 B8R1.8 NCCc1c[nH]nc1 1P00742Z [1,0,0,0,1,0|2,0,0]=4 5381 B8R1.8 NCCc1c[nH]nc1 1P01BCHB [1,0,0,0,1,0|2,0,0]=4 5382 B8R1.8 NCCc1cc[nH]n1 1P0085RD [1,0,0,0,1,0|2,0,0]=4 5383 B8R1.8 NCCc1cc[nH]n1 1P009FIS [1,0,0,0,1,0|2,0,0]=4 5384 B8R1.8 NCCc1ccc[nH]1 1P003F9F [1,0,0,0,1,0|1,0,0]=3 5385 B8R1.8 NCCc1ccco1 1P003HT8 [1,0,0,0,1,0|1,0,0]=3 5386 B8R1.8 NCCc1ccco1 1P00J3S8 [1,0,0,0,1,0|1,0,0]=3 5387 B8R1.8 NCCc1cccs1 1P0030KO [1,0,0,0,1,0|1,0,0]=3 5388 B8R1.8 NCCc1ccno1 1P01BRWE [1,0,0,0,1,0|2,0,0]=4 5389 B8R1.8 NCCc1ccno1 1P0286ZF [1,0,0,0,1,0|2,0,0]=4 5390 B8R1.8 NCCc1ccon1 1P01A2VX [1,0,0,0,1,0|2,0,0]=4 5391 B8R1.8 NCCc1cocc1 1P01ADC8 [1,0,0,0,1,0|1,0,0]=3 5392 B8R1.8 NCCc1cocc1 1P01B713 [1,0,0,0,1,0|1,0,0]=3 5393 B8R1.8 NCCc1conc1 1P00HF7E [1,0,0,0,1,0|2,0,0]=4 5394 B8R1.8 NCCc1cscc1 1P0038IN [1,0,0,0,1,0|1,0,0]=3 5395 B8R1.8 NCCc1cscc1 1P00EA5P [1,0,0,0,1,0|1,0,0]=3 5396 B8R1.8 NCCc1cscn1 1P008NUY [1,0,0,0,1,0|2,0,0]=4 5397 B8R1.8 NCCc1nc[nH]c1 1P0035GO [1,0,0,0,1,0|2,0,0]=4 5398 B8R1.8 NCCc1nc[nH]c1 1P003REF [1,0,0,0,1,0|2,0,0]=4 5399 B8R1.8 NCCc1ncc[nH]1 1P00I025 [1,0,0,0,1,0|2,0,0]=4 5400 B8R1.8 NCCc1ncco1 1P0284E7 [1,0,0,0,1,0|2,0,0]=4 5401 B8R1.8 NCCc1nccs1 1P003AOM [1,0,0,0,1,0|2,0,0]=4 5402 B8R1.8 NCCc1nccs1 1P0075VS [1,0,0,0,1,0|2,0,0]=4 5403 B8R1.8 NCCc1ncoc1 1P024XO7 [1,0,0,0,1,0|2,0,0]=4 5404 B8R1.8 NCCc1ncoc1 1P028SJK [1,0,0,0,1,0|2,0,0]=4 5405 B8R1.8 NCCc1ncsc1 1P00G8VN [1,0,0,0,1,0|2,0,0]=4 5406 B8R1.8 NCCc1ocnc1 1P028E9Y [1,0,0,0,1,0|2,0,0]=4 5407 B8R1.8 NCCc1scnc1 1P00G9Z1 [1,0,0,0,1,0|2,0,0]=4 5408 B8R1.8 NCCn1cccc1 1P002ZMK [1,0,0,0,1,0|1,0,0]=3 5409 B8R1.8 NCCn1cccn1 1P0004UZ [1,0,0,0,1,0|2,0,0]=4 5410 B8R1.8 NCCn1cccn1 1P00J1AE [1,0,0,0,1,0|2,0,0]=4 5411 B8R1.8 NCCn1cncc1 1P003F64 [1,0,0,0,1,0|2,0,0]=4 5412 B8R1.8 NCCn1cncc1 1P00APN2 [1,0,0,0,1,0|2,0,0]=4 5413 B8R1.8 NCCn1cncc1 1P00J9QA [1,0,0,0,1,0|2,0,0]=4 5414 B8R1.8 NNCc1cccs1 1P00J317 [1,0,0,0,1,0|2,0,0]=4 5415 B8R1.8 NNCc1cscc1 1P01BDCM [1,0,0,0,1,0|2,0,0]=4 5416 B8R1.8 NNCc1cscc1 1P01BDDR [1,0,0,0,1,0|2,0,0]=4 5417 B8R1.8 NOCc1cccs1 1P01P0SG [1,0,0,0,1,0|2,0,0]=4 5418 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [1,0,0,0,1,0|2,0,0]=4 5419 B8R1.8 OCCc1ccco1 1P00BZB3 [1,0,0,0,1,0|2,0,0]=4 5420 B8R1.8 OCCc1cccs1 1P0033WO [1,0,0,0,1,0|2,0,0]=4 5421 B8R1.8 OCCc1cocc1 1P0037R8 [1,0,0,0,1,0|2,0,0]=4 5422 B8R1.8 OCCc1cscc1 1P0014C9 [1,0,0,0,1,0|2,0,0]=4 5423 B8R1.8 OCCn1cccc1 1P003DBI [1,0,0,0,1,0|2,0,0]=4 5424 B8R1.8 SCCc1ccco1 1P01HNHQ [1,0,0,0,1,0|2,0,0]=4 5425 B8R1.8 SCCc1cccs1 1P01HCS8 [1,0,0,0,1,0|2,0,0]=4 5426 B8R1.8 SCCc1cscc1 1P028DTF [1,0,0,0,1,0|2,0,0]=4 5427 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [0,0,0,0,0,2|1,0,0]=3 5428 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [0,0,0,0,0,2|2,0,0]=4 5429 B12R1.27 CCC(CNc1ccccc1)N 1P01APH0 [0,0,0,0,0,2|2,0,0]=4 5430 B12R1.27 CCC(CNc1ccccc1)O 1P01A8V7 [0,0,0,0,0,2|2,0,0]=4 5431 B12R1.27 CCC(COc1ccccc1)N 1P00BOHB [0,0,0,0,0,2|2,0,0]=4 5432 B12R1.27 CCC(NCc1ccccc1)C 1P019OAH [0,0,0,0,0,2|1,0,0]=3 5433 B12R1.27 CCC(NCc1ccccn1)C 1P00J4EV [0,0,0,0,0,2|2,0,0]=4 5434 B12R1.27 CCC(NCc1cccnc1)C 1P00J4IE [0,0,0,0,0,2|2,0,0]=4 5435 B12R1.27 CCC(NCc1ccncc1)C 1P00J4G6 [0,0,0,0,0,2|2,0,0]=4 5436 B12R1.27 CNC(CSc1ccccc1)C 1P01C3CH [0,0,0,0,0,2|2,0,0]=4 5437 B12R1.27 CNC(CSc1ccccc1)C 1P01C5OD [0,0,0,0,0,2|2,0,0]=4 5438 B12R1.27 FCC(COc1ccccc1)O 1P005I7E [0,0,0,0,0,2|2,0,0]=4 5439 B12R1.27 NCC(=O)CCc1ccccc1 1P028L4B [0,0,0,0,0,2|1,0,1]=4 5440 B12R1.27 NCC(=O)NCc1ccccc1 1P0029W4 [0,0,0,0,0,2|1,0,1]=4 5441 B12R1.27 NCC(=O)NCc1ccccc1 1P00CM9R [0,0,0,0,0,2|1,0,1]=4 5442 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNQ [0,0,0,0,0,2|1,0,1]=4 5443 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNT [0,0,0,0,0,2|1,0,1]=4 5444 B12R1.27 NCC(=O)OCc1ccccc1 1P002P9Z [0,0,0,0,0,2|1,0,1]=4 5445 B12R1.27 NCC(=O)SCc1ccccc1 1P021MDH [0,0,0,0,0,2|1,0,1]=4 5446 B12R1.27 NCC(COc1ccccc1)C 1P027UPS [0,0,0,0,0,2|0,0,0]=2 5447 B12R1.27 NCC(COc1ccccc1)O 1P0071Q2 [0,0,0,0,0,2|1,0,0]=3 5448 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [0,0,0,0,0,2|0,0,0]=2 5449 B12R1.27 NCC(SCc1ccccc1)C 1P01EILD [0,0,0,0,0,2|0,0,0]=2 5450 B12R1.27 NC[C@@H](NCc1ccccc1)C 1P01BE91 [0,0,0,0,0,2|0,0,0]=2 5451 B12R1.27 NNC(COc1ccccc1)C 1P01BCUE [0,0,0,0,0,2|1,0,0]=3 5452 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [0,0,0,0,0,2|1,0,1]=4 5453 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [0,0,0,0,0,2|1,0,1]=4 5454 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [0,0,0,0,0,2|1,0,0]=3 5455 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [0,0,0,0,0,2|1,0,0]=3 5456 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [0,0,0,0,0,2|2,0,0]=4 5457 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [0,0,0,0,0,2|2,0,0]=4 5458 B12R1.27 OCC(NCc1ccccn1)C 1P01AZ6S [0,0,0,0,0,2|2,0,0]=4 5459 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [0,0,0,0,0,2|1,0,0]=3 5460 B12R1.27 OC[C@@H](CCc1ccccc1)N 1P01BJI2 [0,0,0,0,0,2|2,0,0]=4 5461 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [0,0,0,0,0,2|2,0,0]=4 5462 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [0,0,0,0,0,2|1,0,0]=3 5463 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [0,0,0,0,0,2|1,0,0]=3 5464 B12R1.27 OC[C@H](CCc1ccccc1)N 1P01BJI0 [0,0,0,0,0,2|2,0,0]=4 5465 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [0,0,0,0,0,2|1,0,0]=3 5466 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [0,0,0,0,0,2|1,0,0]=3