0 B9R1.35 Brc1occ(c1)C(=O)N 1P01A0DU [0,0,0,0,0,0|2,1,0]=3 1 B9R1.35 Brc1occ(c1)C(=O)O 1P003MYZ [0,0,0,0,0,0|1,1,0]=2 2 B9R1.35 Brc1scc(c1)C(=O)C 1P00ECZK [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 Brc1scc(c1)C(=O)N 1P002IQX [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 Brc1scc(c1)C(=O)O 1P0002PY [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 Brc1scc(c1)C(F)F 1P00HWZR [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 Brc1scc(c1)[C@@H](N)C 1P028ZUX [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 Brc1scc(c1)[C@H](N)C 1P024VJN [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 Brc1snc(n1)C(=O)[O-] 1P028ND7 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC(=O)c1c[nH]c(c1)C 1P00EM9F [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC(=O)c1cc(c[nH]1)Br 1P00DMFW [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC(=O)c1cc(cs1)Br 1P0032ZE [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(=O)c1cc(cs1)Cl 1P00I7C4 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)c1cc(no1)Br 1P005JRJ [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC(=O)c1cc(on1)N 1P01KKTV [0,0,0,0,0,0|3,1,0]=4 15 B9R1.35 CC(=O)c1ccc([nH]1)Br 1P01JZU5 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC(=O)c1ccc(o1)Br 1P00C003 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC(=O)c1ccc(s1)Br 1P00DEDU [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 CC(=O)c1ccc(s1)Cl 1P003GRO [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 CC(=O)c1ccc(s1)F 1P019DIZ [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(=O)c1ccc(s1)I 1P00327T [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CC(=O)c1cnc([nH]1)N 1P01EKAT [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 CC(=O)c1cnc(o1)N 1P004KRE [0,0,0,0,0,0|4,0,0]=4 23 B9R1.35 CC(=O)c1cnc(s1)Br 1P000CA2 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CC(=O)c1cnc(s1)Cl 1P00IFL7 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 CC(=O)c1cnc(s1)N 1P00DNW1 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 CC(=O)c1cnc(s1)N 1P01AJO9 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 CC(=O)c1cnc(s1)N 1P01DX8S [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 CC(=O)c1csc(n1)Cl 1P028CI9 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 CC(=O)c1csc(n1)N 1P0004JU [0,0,0,0,0,0|3,0,0]=3 30 B9R1.35 CC(=O)c1n[nH]c(c1)C 1P001ZIA [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 CC(c1n[nH]c(c1)C)O 1P01C22H [0,0,0,0,0,0|3,0,1]=4 32 B9R1.35 CC1=CC(SC1)C(=O)O 1P027XXJ [0,0,0,0,0,0|2,0,1]=3 33 B9R1.35 CC1=NC(CC1)C(=O)O 1P00J6P6 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.35 CC1=NO[C@@H](C1)C(=O)O 1P00DD84 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.35 CC1=N[C@@H](CC1)C(=O)O 1P0286OA [0,0,0,0,0,0|2,0,2]=4 36 B9R1.35 CC1CC(=NO1)C(=O)O 1P028KSF [0,0,0,0,0,0|1,1,2]=4 37 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,0,0,0,0,0|1,0,2]=3 38 B9R1.35 CC1NC(CS1)C(=O)O 1P00CA8C [0,0,0,0,0,0|1,0,3]=4 39 B9R1.35 CN1CC(=CC1)C(=O)O 1P028S9Q [0,0,0,0,0,0|2,0,1]=3 40 B9R1.35 Cc1[nH]nc(c1)N(=O)=O 1P008ZHY [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 Cc1c[nH]c(n1)C(=O)C 1P006X4X [0,0,0,0,0,0|4,0,0]=4 42 B9R1.35 Cc1c[nH]c(n1)C(=O)O 1P00674D [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 Cc1c[nH]c(n1)C(=O)O 1P01C2ZS [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 Cc1cc([nH]c1)C(=O)O 1P003842 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.35 Cc1cc([nH]n1)C(=O)O 1P00BZ4U [0,0,0,0,0,0|2,0,0]=2 46 B9R1.35 Cc1cc(n[nH]1)C(=O)O 1P00378B [0,0,0,0,0,0|2,0,0]=2 47 B9R1.35 Cc1cc(n[nH]1)C(=S)N 1P01DXQF [0,0,0,0,0,0|3,1,0]=4 48 B9R1.35 Cc1cc(no1)C(=O)Cl 1P00BZYJ [0,0,0,0,0,0|2,1,0]=3 49 B9R1.35 Cc1cc(no1)C(=O)N 1P00399F [0,0,0,0,0,0|2,1,0]=3 50 B9R1.35 Cc1cc(no1)C(=O)O 1P003NCY [0,0,0,0,0,0|1,1,0]=2 51 B9R1.35 Cc1cc(ns1)C(=O)O 1P007V5O [0,0,0,0,0,0|1,0,0]=1 52 B9R1.35 Cc1cc(on1)C(=O)Cl 1P00DDCX [0,0,0,0,0,0|3,0,0]=3 53 B9R1.35 Cc1cc(on1)C(=O)O 1P006X6G [0,0,0,0,0,0|2,0,0]=2 54 B9R1.35 Cc1cc(sc1)C(=O)N 1P0053HU [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 Cc1cc(sc1)C(=O)O 1P006XY7 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.35 Cc1cc(sn1)C(=O)O 1P00FD3U [0,0,0,0,0,0|2,0,0]=2 57 B9R1.35 Cc1ccc([nH]1)C(=O)O 1P00380V [0,0,0,0,0,0|2,0,0]=2 58 B9R1.35 Cc1ccc(o1)C(=N)N 1P00G545 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.35 Cc1ccc(o1)C(=N)N 1P00J2XA [0,0,0,0,0,0|4,0,0]=4 60 B9R1.35 Cc1ccc(o1)C(=O)C 1P000J0G [0,0,0,0,0,0|3,0,0]=3 61 B9R1.35 Cc1ccc(o1)C(=O)Cl 1P001CFN [0,0,0,0,0,0|3,0,0]=3 62 B9R1.35 Cc1ccc(o1)C(=O)N 1P003WAO [0,0,0,0,0,0|3,0,0]=3 63 B9R1.35 Cc1ccc(o1)C(=O)O 1P002FW0 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.35 Cc1ccc(o1)C(=S)N 1P01AJ0O [0,0,0,0,0,0|3,1,0]=4 65 B9R1.35 Cc1ccc(o1)[C@@H](O)C 1P019RPC [0,0,0,0,0,0|3,0,1]=4 66 B9R1.35 Cc1ccc(s1)C(=O)C 1P0012U7 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.35 Cc1ccc(s1)C(=O)Cl 1P00C8N4 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.35 Cc1ccc(s1)C(=O)N 1P00F1EP [0,0,0,0,0,0|3,0,0]=3 69 B9R1.35 Cc1ccc(s1)C(=O)O 1P002FXV [0,0,0,0,0,0|2,0,0]=2 70 B9R1.35 Cc1ccc(s1)C(O)C 1P01DWTR [0,0,0,0,0,0|3,0,1]=4 71 B9R1.35 Cc1cnc(s1)C(=O)C 1P00EL9S [0,0,0,0,0,0|4,0,0]=4 72 B9R1.35 Cc1cnc(s1)C(=O)O 1P00EAXU [0,0,0,0,0,0|3,0,0]=3 73 B9R1.35 Cc1coc(n1)C(=O)C 1P006H5R [0,0,0,0,0,0|4,0,0]=4 74 B9R1.35 Cc1csc(c1)C(=O)C 1P0012U8 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.35 Cc1csc(n1)C(=O)C 1P00G607 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.35 Cc1csc(n1)C(=O)O 1P001DHN [0,0,0,0,0,0|3,0,0]=3 77 B9R1.35 Cc1n[nH]c(n1)C(=O)C 1P028I01 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.35 Cc1nc([nH]n1)C(=O)N 1P0032L3 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.35 Cc1nc(c[nH]1)C(=O)N 1P004I55 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.35 Cc1nc(c[nH]1)C(=O)O 1P00J21I [0,0,0,0,0,0|2,0,0]=2 81 B9R1.35 Cc1nc(co1)C(=N)N 1P027YO6 [0,0,0,0,0,0|3,1,0]=4 82 B9R1.35 Cc1nc(co1)C(=O)N 1P0003SF [0,0,0,0,0,0|2,1,0]=3 83 B9R1.35 Cc1nc(co1)C(=O)O 1P002MBJ [0,0,0,0,0,0|1,1,0]=2 84 B9R1.35 Cc1nc(co1)C(=S)N 1P00GVD7 [0,0,0,0,0,0|2,2,0]=4 85 B9R1.35 Cc1nc(cs1)C(=O)Cl 1P00D9EV [0,0,0,0,0,0|2,0,0]=2 86 B9R1.35 Cc1nc(cs1)C(=O)N 1P00C6Q7 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.35 Cc1nc(cs1)C(=O)O 1P00BYXQ [0,0,0,0,0,0|1,0,0]=1 88 B9R1.35 Cc1nc(cs1)C(=O)O 1P01BF4Y [0,0,0,0,0,0|1,0,0]=1 89 B9R1.35 Cc1nc(cs1)C(=S)N 1P001ZZP [0,0,0,0,0,0|2,1,0]=3 90 B9R1.35 Cc1nc(sn1)C(=O)O 1P01JVP5 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.35 Cc1ncc([nH]1)C(=O)O 1P001DSK [0,0,0,0,0,0|2,0,0]=2 92 B9R1.35 Cc1ncc(o1)C(=O)O 1P0015U6 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.35 Cc1ncc(s1)C(=O)C 1P00DJQ9 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.35 Cc1ncc(s1)C(=O)N 1P01A9BL [0,0,0,0,0,0|3,0,0]=3 95 B9R1.35 Cc1ncc(s1)C(=O)O 1P0033UI [0,0,0,0,0,0|2,0,0]=2 96 B9R1.35 Cc1nnc(s1)C(=O)O 1P00DL30 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.35 Cc1noc(c1)C(O)C 1P00670P [0,0,0,0,0,0|3,0,1]=4 98 B9R1.35 Cc1nsc(c1)C(=O)C 1P01DXAF [0,0,0,0,0,0|3,0,0]=3 99 B9R1.35 Cc1occ(c1)C(=O)O 1P00BGK8 [0,0,0,0,0,0|0,1,0]=1 100 B9R1.35 Cc1occ(n1)C(=O)C 1P00G984 [0,0,0,0,0,0|2,1,0]=3 101 B9R1.35 Cc1occ(n1)C(O)C 1P01B9QO [0,0,0,0,0,0|2,1,1]=4 102 B9R1.35 Cc1onc(c1)C(=O)C 1P00C1JB [0,0,0,0,0,0|2,1,0]=3 103 B9R1.35 Cc1onc(c1)C(O)C 1P01BGYH [0,0,0,0,0,0|2,1,1]=4 104 B9R1.35 Cc1onc(c1)[C@@H](O)C 1P009R93 [0,0,0,0,0,0|2,1,1]=4 105 B9R1.35 Cc1onc(c1)[C@H](O)C 1P01BHCQ [0,0,0,0,0,0|2,1,1]=4 106 B9R1.35 Cc1onc(n1)C(=O)C 1P00H3GW [0,0,0,0,0,0|3,1,0]=4 107 B9R1.35 Cc1onc(n1)C(=O)O 1P0039CZ [0,0,0,0,0,0|2,1,0]=3 108 B9R1.35 Cc1onc(n1)C(=O)[O-] 1P002B17 [0,0,0,0,0,0|2,1,1]=4 109 B9R1.35 Cc1onc(n1)C(=O)[O-] 1P01BD1C [0,0,0,0,0,0|2,1,1]=4 110 B9R1.35 Cc1onc(n1)C(=O)[O-] 1P01BITX [0,0,0,0,0,0|2,1,1]=4 111 B9R1.35 Cc1scc(c1)B(O)O 1P00IHXA [0,0,0,0,0,0|1,0,1]=2 112 B9R1.35 Cc1scc(c1)C(=O)C 1P00FGLX [0,0,0,0,0,0|1,0,0]=1 113 B9R1.35 Cc1scc(c1)C(=O)O 1P002FSF [0,0,0,0,0,0|0,0,0]=0 114 B9R1.35 Cc1scc(c1)C(N)C 1P01B2ZM [0,0,0,0,0,0|2,0,1]=3 115 B9R1.35 Cc1scc(n1)C(=O)C 1P002MB4 [0,0,0,0,0,0|2,0,0]=2 116 B9R1.35 Cc1scc(n1)C(C)C 1P00CZGP [0,0,0,0,0,0|3,0,1]=4 117 B9R1.35 Cc1scc(n1)C(N)C 1P0097KR [0,0,0,0,0,0|3,0,1]=4 118 B9R1.35 Cc1scc(n1)C(N)C 1P00BZE7 [0,0,0,0,0,0|3,0,1]=4 119 B9R1.35 Cc1scc(n1)[C@@H](N)C 1P01A3LH [0,0,0,0,0,0|3,0,1]=4 120 B9R1.35 Cc1scc(n1)[C@@H](O)C 1P01A28L [0,0,0,0,0,0|2,0,1]=3 121 B9R1.35 Cc1scc(n1)[C@H](O)C 1P01A2WQ [0,0,0,0,0,0|2,0,1]=3 122 B9R1.35 ClC(=O)c1cc(cs1)Br 1P00EBGR [0,0,0,0,0,0|4,0,0]=4 123 B9R1.35 ClC(=O)c1ccc(o1)Br 1P00BG2D [0,0,0,0,0,0|4,0,0]=4 124 B9R1.35 ClC(=O)c1ccc(s1)Br 1P00CB85 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.35 Clc1ccc(o1)C(=O)Cl 1P006XVP [0,0,0,0,0,0|4,0,0]=4 126 B9R1.35 Clc1ccc(s1)C(=O)Cl 1P0072CX [0,0,0,0,0,0|4,0,0]=4 127 B9R1.35 Clc1occ(c1)C(=O)O 1P028N0I [0,0,0,0,0,0|1,1,0]=2 128 B9R1.35 Clc1scc(c1)B(O)O 1P002CQM [0,0,0,0,0,0|2,0,1]=3 129 B9R1.35 Clc1scc(c1)C(=O)C 1P00IAT3 [0,0,0,0,0,0|2,0,0]=2 130 B9R1.35 Clc1scc(c1)C(=O)O 1P00C006 [0,0,0,0,0,0|1,0,0]=1 131 B9R1.35 Clc1scc(c1)C(O)C 1P00127A [0,0,0,0,0,0|2,0,1]=3 132 B9R1.35 Clc1scc(n1)C(=O)Cl 1P001W1C [0,0,0,0,0,0|3,0,0]=3 133 B9R1.35 Cn1cc(nc1)C(=O)N 1P000UB5 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.35 Cn1cc(nc1)C(=O)O 1P003EZB [0,0,0,0,0,0|3,0,0]=3 135 B9R1.35 Cn1cc(nn1)C(=O)N 1P00CLHB [0,0,0,0,0,0|4,0,0]=4 136 B9R1.35 Cn1cc(nn1)C(=O)O 1P007WZ8 [0,0,0,0,0,0|3,0,0]=3 137 B9R1.35 Cn1ccc(c1)C(=O)C 1P003J9N [0,0,0,0,0,0|3,0,0]=3 138 B9R1.35 Cn1ccc(c1)C(=O)O 1P00CJ7K [0,0,0,0,0,0|2,0,0]=2 139 B9R1.35 Cn1ccc(n1)C(=O)C 1P0014IN [0,0,0,0,0,0|4,0,0]=4 140 B9R1.35 Cn1ccc(n1)C(=O)Cl 1P0054CU [0,0,0,0,0,0|4,0,0]=4 141 B9R1.35 Cn1ccc(n1)C(=O)N 1P003WQD [0,0,0,0,0,0|4,0,0]=4 142 B9R1.35 Cn1ccc(n1)C(=O)O 1P002QO3 [0,0,0,0,0,0|3,0,0]=3 143 B9R1.35 Cn1cnc(c1)C(=O)C 1P000Z8X [0,0,0,0,0,0|4,0,0]=4 144 B9R1.35 Cn1cnc(n1)C(=O)O 1P00G9YP [0,0,0,0,0,0|4,0,0]=4 145 B9R1.35 Cn1nc(cn1)C(=O)N 1P028VR6 [0,0,0,0,0,0|4,0,0]=4 146 B9R1.35 Cn1nc(cn1)C(=O)O 1P01A8Z4 [0,0,0,0,0,0|3,0,0]=3 147 B9R1.35 Cn1ncc(c1)B(O)O 1P0008K1 [0,0,0,0,0,0|3,0,1]=4 148 B9R1.35 Cn1ncc(c1)B(O)O 1P00339E [0,0,0,0,0,0|3,0,1]=4 149 B9R1.35 Cn1ncc(c1)C(=C)C 1P01XD75 [0,0,0,0,0,0|4,0,0]=4 150 B9R1.35 Cn1ncc(c1)C(=N)N 1P019U0U [0,0,0,0,0,0|4,0,0]=4 151 B9R1.35 Cn1ncc(c1)C(=N)N 1P028JO1 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.35 Cn1ncc(c1)C(=O)C 1P0038EA [0,0,0,0,0,0|3,0,0]=3 153 B9R1.35 Cn1ncc(c1)C(=O)Cl 1P008MCZ [0,0,0,0,0,0|3,0,0]=3 154 B9R1.35 Cn1ncc(c1)C(=O)N 1P00H2BD [0,0,0,0,0,0|3,0,0]=3 155 B9R1.35 Cn1ncc(c1)C(=O)O 1P003EXY [0,0,0,0,0,0|2,0,0]=2 156 B9R1.35 Cn1ncc(c1)C(=S)N 1P019VNR [0,0,0,0,0,0|3,1,0]=4 157 B9R1.35 Cn1ncc(c1)C(O)C 1P00BYYM [0,0,0,0,0,0|3,0,1]=4 158 B9R1.35 Cn1ncc(c1)S(=O)C 1P028K79 [0,0,0,0,0,0|4,0,0]=4 159 B9R1.35 Cn1ncc(c1)S(=O)[O-] 1P01ALL9 [0,0,0,0,0,0|3,0,1]=4 160 B9R1.35 Cn1ncc(c1)[C@@H](O)C 1P01AIUW [0,0,0,0,0,0|3,0,1]=4 161 B9R1.35 Cn1ncc(c1)[C@H](O)C 1P01AIUX [0,0,0,0,0,0|3,0,1]=4 162 B9R1.35 Cn1ncc(c1)[N+](=O)[O-] 1P003EYT [0,0,0,0,0,0|3,0,1]=4 163 B9R1.35 Cn1nnc(c1)C(=O)C 1P000Z6U [0,0,0,0,0,0|4,0,0]=4 164 B9R1.35 Cn1nnc(n1)C(=O)O 1P00105U [0,0,0,0,0,0|4,0,0]=4 165 B9R1.35 Ic1scc(c1)C(=O)O 1P01AH3W [0,0,0,0,0,0|1,0,0]=1 166 B9R1.35 NC(=O)c1c[nH]c(=O)[nH]1 1P028HL5 [0,0,0,0,0,0|4,0,0]=4 167 B9R1.35 NC(=O)c1c[nH]c(c1)Br 1P01DWKA [0,0,0,0,0,0|3,0,0]=3 168 B9R1.35 NC(=O)c1cc([nH]n1)Br 1P028URT [0,0,0,0,0,0|4,0,0]=4 169 B9R1.35 NC(=O)c1cc(c[nH]1)Br 1P007RME [0,0,0,0,0,0|4,0,0]=4 170 B9R1.35 NC(=O)c1cc(co1)Br 1P00IJVW [0,0,0,0,0,0|4,0,0]=4 171 B9R1.35 NC(=O)c1cc(cs1)Br 1P004RML [0,0,0,0,0,0|4,0,0]=4 172 B9R1.35 NC(=O)c1cc(no1)Br 1P000M39 [0,0,0,0,0,0|4,0,0]=4 173 B9R1.35 NC(=O)c1cc(no1)Cl 1P00BVEZ [0,0,0,0,0,0|4,0,0]=4 174 B9R1.35 NC(=O)c1cc(no1)O 1P0080DZ [0,0,0,0,0,0|4,0,0]=4 175 B9R1.35 NC(=O)c1cc(sn1)Br 1P0281MO [0,0,0,0,0,0|3,0,0]=3 176 B9R1.35 NC(=O)c1ccc([nH]1)Br 1P0021FZ [0,0,0,0,0,0|4,0,0]=4 177 B9R1.35 NC(=O)c1ccc(o1)Br 1P00EEFR [0,0,0,0,0,0|4,0,0]=4 178 B9R1.35 NC(=O)c1ccc(s1)Br 1P003N1U [0,0,0,0,0,0|4,0,0]=4 179 B9R1.35 NC(=O)c1ccc(s1)Cl 1P006Z72 [0,0,0,0,0,0|4,0,0]=4 180 B9R1.35 NC(=O)c1cnc(s1)Br 1P004R9N [0,0,0,0,0,0|4,0,0]=4 181 B9R1.35 NC(=O)c1coc(n1)Br 1P019GFY [0,0,0,0,0,0|3,1,0]=4 182 B9R1.35 NC(=O)c1coc(n1)Cl 1P00085C [0,0,0,0,0,0|3,1,0]=4 183 B9R1.35 NC(=O)c1csc(n1)Br 1P004R9M [0,0,0,0,0,0|3,0,0]=3 184 B9R1.35 NC(=O)c1n[nH]c(c1)N 1P0016YH [0,0,0,0,0,0|4,0,0]=4 185 B9R1.35 NC(=O)c1n[nH]c(c1)N 1P00J2OO [0,0,0,0,0,0|4,0,0]=4 186 B9R1.35 NC1=NC(CS1)C(=O)O 1P00I4MP [0,0,0,0,0,0|2,0,2]=4 187 B9R1.35 NC1CC(=CC1)C(=O)O 1P01B7AU [0,0,0,0,0,0|2,0,2]=4 188 B9R1.35 Nc1c[nH]c(c1)C(=O)N 1P019M0B [0,0,0,0,0,0|4,0,0]=4 189 B9R1.35 Nc1cc([nH]c1)C(=O)O 1P001OPN [0,0,0,0,0,0|3,0,0]=3 190 B9R1.35 Nc1cc([nH]n1)C(=O)O 1P01F2QC [0,0,0,0,0,0|3,0,0]=3 191 B9R1.35 Nc1cc(n[nH]1)C(=O)O 1P000LUD [0,0,0,0,0,0|3,0,0]=3 192 B9R1.35 Nc1cnc([nH]1)C(=O)O 1P001OPO [0,0,0,0,0,0|4,0,0]=4 193 B9R1.35 Nc1csc(c1)C(=O)N 1P00GJ2G [0,0,0,0,0,0|4,0,0]=4 194 B9R1.35 Nc1csc(n1)C(=O)O 1P020LR2 [0,0,0,0,0,0|4,0,0]=4 195 B9R1.35 Nc1nc(co1)C(=O)O 1P00H6TL [0,0,0,0,0,0|2,1,0]=3 196 B9R1.35 Nc1nc(cs1)C(=O)O 1P007TGE [0,0,0,0,0,0|2,0,0]=2 197 B9R1.35 Nc1nc(cs1)C(=O)O 1P00BYGM [0,0,0,0,0,0|2,0,0]=2 198 B9R1.35 Nc1ncc([nH]1)C(=O)O 1P004QJA [0,0,0,0,0,0|3,0,0]=3 199 B9R1.35 Nc1ncc(o1)C(=O)N 1P01K243 [0,0,0,0,0,0|4,0,0]=4 200 B9R1.35 Nc1ncc(o1)C(=O)O 1P004DTR [0,0,0,0,0,0|3,0,0]=3 201 B9R1.35 Nc1ncc(s1)C(=O)N 1P00DK22 [0,0,0,0,0,0|4,0,0]=4 202 B9R1.35 Nc1ncc(s1)C(=O)O 1P003H0W [0,0,0,0,0,0|3,0,0]=3 203 B9R1.35 Nc1nnc([nH]1)C(=O)O 1P00I7OI [0,0,0,0,0,0|4,0,0]=4 204 B9R1.35 Nc1occ(n1)C(=O)N 1P01A35Q [0,0,0,0,0,0|3,1,0]=4 205 B9R1.35 Nc1onc(c1)C(=O)N 1P01DTN4 [0,0,0,0,0,0|3,1,0]=4 206 B9R1.35 Nc1scc(c1)C(=O)O 1P00428K [0,0,0,0,0,0|1,0,0]=1 207 B9R1.35 Nc1scc(n1)C(=O)N 1P0076TK [0,0,0,0,0,0|3,0,0]=3 208 B9R1.35 O=C(C1=CC(Br)=NN1)O 1P01K3J6 [0,0,0,0,0,0|3,0,0]=3 209 B9R1.35 O=C1CCC(=C1)C(=O)O 1P007D5E [0,0,0,0,0,0|2,0,1]=3 210 B9R1.35 O=C1NN=C(C1)C(=O)O 1P00FPE0 [0,0,0,0,0,0|3,0,1]=4 211 B9R1.35 O=C1SCC(C1)C(=O)O 1P002W3L [0,0,0,0,0,0|1,0,3]=4 212 B9R1.35 O=C1SC[C@H](N1)C(=O)O 1P002BG2 [0,0,0,0,0,0|2,0,2]=4 213 B9R1.35 OB(c1cc([nH]n1)C)O 1P000CNX [0,0,0,0,0,0|3,0,1]=4 214 B9R1.35 OB(c1ccc(o1)C)O 1P003CEX [0,0,0,0,0,0|3,0,1]=4 215 B9R1.35 OB(c1ccc(s1)C)O 1P0034RM [0,0,0,0,0,0|3,0,1]=4 216 B9R1.35 OB(c1scc(c1)C)O 1P001TPT [0,0,0,0,0,0|3,0,1]=4 217 B9R1.35 OC(=O)[C@@H]1CSC(=S)N1 1P003CDF [0,0,0,0,0,0|2,0,2]=4 218 B9R1.35 OC(=O)c1[nH][nH]c(=O)c1 1P00C9GT [0,0,0,0,0,0|3,0,0]=3 219 B9R1.35 OC(=O)c1c[nH]c(=O)[nH]1 1P0077K4 [0,0,0,0,0,0|3,0,0]=3 220 B9R1.35 OC(=O)c1c[nH]c(=O)s1 1P004OXP [0,0,0,0,0,0|3,0,0]=3 221 B9R1.35 OC(=O)c1c[nH]c(c1)Br 1P01AIY4 [0,0,0,0,0,0|2,0,0]=2 222 B9R1.35 OC(=O)c1c[nH]c(c1)C 1P000145 [0,0,0,0,0,0|1,0,0]=1 223 B9R1.35 OC(=O)c1c[nH]c(c1)Cl 1P00IDIT [0,0,0,0,0,0|2,0,0]=2 224 B9R1.35 OC(=O)c1cc([nH]n1)Br 1P0011SC [0,0,0,0,0,0|3,0,0]=3 225 B9R1.35 OC(=O)c1cc([nH]n1)Cl 1P0034PW [0,0,0,0,0,0|3,0,0]=3 226 B9R1.35 OC(=O)c1cc(c[nH]1)Br 1P002V40 [0,0,0,0,0,0|3,0,0]=3 227 B9R1.35 OC(=O)c1cc(c[nH]1)Cl 1P002V3Z [0,0,0,0,0,0|3,0,0]=3 228 B9R1.35 OC(=O)c1cc(c[nH]1)F 1P00I94R [0,0,0,0,0,0|3,0,0]=3 229 B9R1.35 OC(=O)c1cc(c[nH]1)I 1P00BHHI [0,0,0,0,0,0|3,0,0]=3 230 B9R1.35 OC(=O)c1cc(co1)Br 1P00CJ7O [0,0,0,0,0,0|3,0,0]=3 231 B9R1.35 OC(=O)c1cc(cs1)Br 1P001XH5 [0,0,0,0,0,0|3,0,0]=3 232 B9R1.35 OC(=O)c1cc(cs1)Cl 1P0037GW [0,0,0,0,0,0|3,0,0]=3 233 B9R1.35 OC(=O)c1cc(cs1)F 1P00CNOT [0,0,0,0,0,0|3,0,0]=3 234 B9R1.35 OC(=O)c1cc(cs1)I 1P02832Q [0,0,0,0,0,0|3,0,0]=3 235 B9R1.35 OC(=O)c1cc(n[nH]1)F 1P01AF6J [0,0,0,0,0,0|3,0,0]=3 236 B9R1.35 OC(=O)c1cc(no1)Br 1P00FAJ4 [0,0,0,0,0,0|3,0,0]=3 237 B9R1.35 OC(=O)c1cc(no1)Cl 1P002JDV [0,0,0,0,0,0|3,0,0]=3 238 B9R1.35 OC(=O)c1cc(ns1)Cl 1P01AGRG [0,0,0,0,0,0|3,0,0]=3 239 B9R1.35 OC(=O)c1cc(on1)Cl 1P01AEJ7 [0,0,0,0,0,0|2,1,0]=3 240 B9R1.35 OC(=O)c1cc(on1)I 1P01C1O1 [0,0,0,0,0,0|2,1,0]=3 241 B9R1.35 OC(=O)c1cc(sn1)I 1P028I3X [0,0,0,0,0,0|2,0,0]=2 242 B9R1.35 OC(=O)c1ccc([nH]1)Br 1P00BIR8 [0,0,0,0,0,0|3,0,0]=3 243 B9R1.35 OC(=O)c1ccc([nH]1)Cl 1P01AEQB [0,0,0,0,0,0|3,0,0]=3 244 B9R1.35 OC(=O)c1ccc(o1)Br 1P003N0Q [0,0,0,0,0,0|3,0,0]=3 245 B9R1.35 OC(=O)c1ccc(o1)Cl 1P00EC71 [0,0,0,0,0,0|3,0,0]=3 246 B9R1.35 OC(=O)c1ccc(o1)F 1P01A4YN [0,0,0,0,0,0|3,0,0]=3 247 B9R1.35 OC(=O)c1ccc(o1)I 1P0076RJ [0,0,0,0,0,0|3,0,0]=3 248 B9R1.35 OC(=O)c1ccc(s1)Br 1P003N1V [0,0,0,0,0,0|3,0,0]=3 249 B9R1.35 OC(=O)c1ccc(s1)Cl 1P0034Q1 [0,0,0,0,0,0|3,0,0]=3 250 B9R1.35 OC(=O)c1ccc(s1)F 1P0037P2 [0,0,0,0,0,0|3,0,0]=3 251 B9R1.35 OC(=O)c1ccc(s1)I 1P00EKUJ [0,0,0,0,0,0|3,0,0]=3 252 B9R1.35 OC(=O)c1cnc([nH]1)Br 1P027VDL [0,0,0,0,0,0|3,0,0]=3 253 B9R1.35 OC(=O)c1cnc([nH]1)Cl 1P01EKL4 [0,0,0,0,0,0|3,0,0]=3 254 B9R1.35 OC(=O)c1cnc([nH]1)S 1P00BF9O [0,0,0,0,0,0|3,0,0]=3 255 B9R1.35 OC(=O)c1cnc(o1)Br 1P0013LO [0,0,0,0,0,0|3,0,0]=3 256 B9R1.35 OC(=O)c1cnc(o1)Cl 1P001OGC [0,0,0,0,0,0|3,0,0]=3 257 B9R1.35 OC(=O)c1cnc(s1)Br 1P00IA41 [0,0,0,0,0,0|3,0,0]=3 258 B9R1.35 OC(=O)c1cnc(s1)Cl 1P000408 [0,0,0,0,0,0|3,0,0]=3 259 B9R1.35 OC(=O)c1cnc(s1)F 1P000DLG [0,0,0,0,0,0|3,0,0]=3 260 B9R1.35 OC(=O)c1coc(n1)Br 1P000DIM [0,0,0,0,0,0|2,1,0]=3 261 B9R1.35 OC(=O)c1coc(n1)Cl 1P005TBB [0,0,0,0,0,0|2,1,0]=3 262 B9R1.35 OC(=O)c1csc(=O)[nH]1 1P01A76X [0,0,0,0,0,0|2,0,0]=2 263 B9R1.35 OC(=O)c1csc(n1)Br 1P003H5O [0,0,0,0,0,0|2,0,0]=2 264 B9R1.35 OC(=O)c1csc(n1)C 1P00J3X4 [0,0,0,0,0,0|1,0,0]=1 265 B9R1.35 OC(=O)c1csc(n1)Cl 1P0033QF [0,0,0,0,0,0|2,0,0]=2 266 B9R1.35 OC(=O)c1csc(n1)I 1P00IIM5 [0,0,0,0,0,0|2,0,0]=2 267 B9R1.35 OC(=O)c1csc(n1)S 1P00H4SC [0,0,0,0,0,0|2,0,0]=2 268 B9R1.35 OC(=O)c1n[nH]c(=O)[nH]1 1P00D9SS [0,0,0,0,0,0|4,0,0]=4 269 B9R1.35 OC(=O)c1n[nH]c(=O)[nH]1 1P00J1AH [0,0,0,0,0,0|4,0,0]=4 270 B9R1.35 OC(=O)c1n[nH]c(c1)O 1P007690 [0,0,0,0,0,0|3,0,0]=3 271 B9R1.35 OC(=O)c1n[nH]c(n1)Cl 1P00J1V1 [0,0,0,0,0,0|4,0,0]=4 272 B9R1.35 OC(=O)c1n[nH]c(n1)N 1P0030OA [0,0,0,0,0,0|4,0,0]=4 273 B9R1.35 OC(=O)c1nc(cs1)Br 1P00460R [0,0,0,0,0,0|4,0,0]=4 274 B9R1.35 OC(=O)c1nc(cs1)Cl 1P01BGBZ [0,0,0,0,0,0|4,0,0]=4 275 B9R1.35 OC(=O)c1ncc([nH]1)Br 1P000RKE [0,0,0,0,0,0|4,0,0]=4 276 B9R1.35 OC(=O)c1ncc([nH]1)Br 1P024XO6 [0,0,0,0,0,0|4,0,0]=4 277 B9R1.35 OC(=O)c1ncc([nH]1)Cl 1P0024BI [0,0,0,0,0,0|4,0,0]=4 278 B9R1.35 OC(=O)c1ncc([nH]1)I 1P0024C2 [0,0,0,0,0,0|4,0,0]=4 279 B9R1.35 OC(=O)c1ncc(s1)Br 1P00IJVZ [0,0,0,0,0,0|4,0,0]=4 280 B9R1.35 OC(=O)c1ncc(s1)Cl 1P000407 [0,0,0,0,0,0|4,0,0]=4 281 B9R1.35 OC(=O)c1nnc([nH]1)Br 1P0038YL [0,0,0,0,0,0|4,0,0]=4 282 B9R1.35 OC(=O)c1nnc([nH]1)Cl 1P0038AI [0,0,0,0,0,0|4,0,0]=4 283 B9R1.35 OC(=O)c1nnc(s1)Br 1P01KLE3 [0,0,0,0,0,0|4,0,0]=4 284 B9R1.35 Oc1csc(c1)C(=O)O 1P0075UV [0,0,0,0,0,0|3,0,0]=3 285 B9R1.35 Oc1ncc(o1)C(=O)O 1P00HWCT [0,0,0,0,0,0|3,0,0]=3 286 B9R1.35 Oc1noc(c1)C(=O)O 1P0038LK [0,0,0,0,0,0|3,0,0]=3 287 B9R1.35 [O-]C(=O)C1CSC(=N1)C 1P00AP3Q [0,0,0,0,0,0|1,0,3]=4 288 B9R1.35 [O-]C(=O)c1n[nH]c(n1)C 1P01C23U [0,0,0,0,0,0|3,0,1]=4 289 B9R1.35 [O-]C(=O)c1nc(co1)C 1P01CAOG [0,0,0,0,0,0|3,0,1]=4 290 B9R1.35 [O-]C(=O)c1nc(no1)C 1P000LYV [0,0,0,0,0,0|3,0,1]=4 291 B9R1.35 [O-]C(=O)c1nc(no1)C 1P019LKL [0,0,0,0,0,0|3,0,1]=4 292 B9R1.35 [O-]C(=O)c1nc(ns1)C 1P0288QY [0,0,0,0,0,0|3,0,1]=4 293 B9R1.35 [O-]C(=O)c1ncc(o1)C 1P00231P [0,0,0,0,0,0|3,0,1]=4 294 B9R1.35 [O-]C(=O)c1ncc(o1)C 1P01BD53 [0,0,0,0,0,0|3,0,1]=4 295 B9R1.35 [O-]C(=O)c1nnc(o1)C 1P0034RA [0,0,0,0,0,0|3,0,1]=4 296 B9R1.35 [O-]C(=O)c1nnc(s1)C 1P00230S [0,0,0,0,0,0|3,0,1]=4 297 B9R1.35 [O-]C(=O)c1nnc(s1)C 1P01AVBZ [0,0,0,0,0,0|3,0,1]=4 298 B9R1.35 [O-]S(=O)c1csc(n1)C 1P01FLA6 [0,0,0,0,0,0|2,0,1]=3 299 B9R1.35 [O-][N+](=O)c1c[nH]c(n1)C 1P006A5B [0,0,0,0,0,0|3,0,1]=4 300 B9R1.35 [O-][N+](=O)c1cc([nH]n1)C 1P0034RF [0,0,0,0,0,0|3,0,1]=4 301 B9R1.35 [O-][N+](=O)c1ccc(s1)C 1P0073HF [0,0,0,0,0,0|3,0,1]=4 302 B9R1.35 [O-][N+](=O)c1cnc([nH]1)C 1P00IKVS [0,0,0,0,0,0|3,0,1]=4 303 B8R1.1 BrCc1csc(c1)Br 1P019NB4 [1,0,0,0,0,0|2,0,1]=4 304 B8R1.1 BrCc1csc(c1)Cl 1P01ANP6 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.1 Brc1cc([nH]c1)C=O 1P00GWFG [1,0,0,0,0,0|3,0,0]=4 306 B8R1.1 Brc1cc(oc1)C=O 1P0038MF [1,0,0,0,0,0|3,0,0]=4 307 B8R1.1 Brc1cc(on1)C=O 1P00BI11 [1,0,0,0,0,0|3,0,0]=4 308 B8R1.1 Brc1cc(sc1)C=O 1P002H1J [1,0,0,0,0,0|3,0,0]=4 309 B8R1.1 Brc1ccc([nH]1)C=O 1P006635 [1,0,0,0,0,0|3,0,0]=4 310 B8R1.1 Brc1ccc(o1)C=O 1P002EKQ [1,0,0,0,0,0|3,0,0]=4 311 B8R1.1 Brc1ccc(s1)C=O 1P0038BE [1,0,0,0,0,0|3,0,0]=4 312 B8R1.1 Brc1nc(co1)C=O 1P0095BP [1,0,0,0,0,0|2,1,0]=4 313 B8R1.1 Brc1nc(cs1)C=O 1P00D8GV [1,0,0,0,0,0|2,0,0]=3 314 B8R1.1 Brc1ncc(s1)C=O 1P00DEFR [1,0,0,0,0,0|3,0,0]=4 315 B8R1.1 C#Cc1csc(c1)Br 1P028UJD [1,0,0,0,0,0|2,0,1]=4 316 B8R1.1 C=Cc1cnn(c1)C 1P01A0UW [1,0,0,0,0,0|3,0,0]=4 317 B8R1.1 CCc1csc(c1)C 1P0012TP [1,0,0,0,0,0|1,0,1]=3 318 B8R1.1 Cc1cc([nH]c1)C=O 1P006Y3A [1,0,0,0,0,0|2,0,0]=3 319 B8R1.1 Cc1cc([nH]n1)CO 1P00AMG5 [1,0,0,0,0,0|2,0,1]=4 320 B8R1.1 Cc1cc(n[nH]1)C=O 1P0034RC [1,0,0,0,0,0|2,0,0]=3 321 B8R1.1 Cc1cc(n[nH]1)CO 1P0021VE [1,0,0,0,0,0|2,0,1]=4 322 B8R1.1 Cc1cc(no1)C=O 1P00391V [1,0,0,0,0,0|1,1,0]=3 323 B8R1.1 Cc1cc(no1)CO 1P003K19 [1,0,0,0,0,0|1,1,1]=4 324 B8R1.1 Cc1cc(ns1)CCl 1P0280TX [1,0,0,0,0,0|2,0,1]=4 325 B8R1.1 Cc1cc(ns1)CO 1P00AO1D [1,0,0,0,0,0|1,0,1]=3 326 B8R1.1 Cc1cc(oc1)C=O 1P00I6ZP [1,0,0,0,0,0|2,0,0]=3 327 B8R1.1 Cc1cc(oc1)CO 1P01BUE0 [1,0,0,0,0,0|2,0,1]=4 328 B8R1.1 Cc1cc(on1)C=O 1P005H3Y [1,0,0,0,0,0|2,0,0]=3 329 B8R1.1 Cc1cc(on1)CO 1P001F53 [1,0,0,0,0,0|2,0,1]=4 330 B8R1.1 Cc1cc(sc1)C=O 1P003M9N [1,0,0,0,0,0|2,0,0]=3 331 B8R1.1 Cc1cc(sc1)CO 1P005M4K [1,0,0,0,0,0|2,0,1]=4 332 B8R1.1 Cc1cc(sn1)C=O 1P00IFL4 [1,0,0,0,0,0|2,0,0]=3 333 B8R1.1 Cc1cc(sn1)CO 1P01BEOL [1,0,0,0,0,0|2,0,1]=4 334 B8R1.1 Cc1ccc([nH]1)C=O 1P000ISW [1,0,0,0,0,0|2,0,0]=3 335 B8R1.1 Cc1ccc(o1)C=C 1P007GDE [1,0,0,0,0,0|3,0,0]=4 336 B8R1.1 Cc1ccc(o1)C=O 1P003NCN [1,0,0,0,0,0|2,0,0]=3 337 B8R1.1 Cc1ccc(o1)CO 1P003NBO [1,0,0,0,0,0|2,0,1]=4 338 B8R1.1 Cc1ccc(s1)C=O 1P0012UA [1,0,0,0,0,0|2,0,0]=3 339 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [1,0,0,0,0,0|2,0,1]=4 340 B8R1.1 Cc1cnc([nH]1)C=O 1P000AAF [1,0,0,0,0,0|3,0,0]=4 341 B8R1.1 Cc1cnc(o1)C=O 1P00VVHM [1,0,0,0,0,0|3,0,0]=4 342 B8R1.1 Cc1cnc(s1)C=O 1P00196D [1,0,0,0,0,0|3,0,0]=4 343 B8R1.1 Cc1coc(n1)C=O 1P001QVU [1,0,0,0,0,0|3,0,0]=4 344 B8R1.1 Cc1csc(n1)C=O 1P0013UG [1,0,0,0,0,0|3,0,0]=4 345 B8R1.1 Cc1nc(c[nH]1)CO 1P00DD57 [1,0,0,0,0,0|2,0,1]=4 346 B8R1.1 Cc1nc(co1)C=O 1P0009XK [1,0,0,0,0,0|1,1,0]=3 347 B8R1.1 Cc1nc(co1)CO 1P007ZR0 [1,0,0,0,0,0|1,1,1]=4 348 B8R1.1 Cc1nc(cs1)C#C 1P008UQD [1,0,0,0,0,0|2,0,1]=4 349 B8R1.1 Cc1nc(cs1)C#N 1P006Z27 [1,0,0,0,0,0|2,0,1]=4 350 B8R1.1 Cc1nc(cs1)C=C 1P01A3RX [1,0,0,0,0,0|2,0,0]=3 351 B8R1.1 Cc1nc(cs1)C=C 1P01ANVE [1,0,0,0,0,0|2,0,0]=3 352 B8R1.1 Cc1nc(cs1)C=O 1P002KQ5 [1,0,0,0,0,0|1,0,0]=2 353 B8R1.1 Cc1nc(cs1)CBr 1P00FFU6 [1,0,0,0,0,0|2,0,1]=4 354 B8R1.1 Cc1nc(cs1)CCl 1P0053U4 [1,0,0,0,0,0|2,0,1]=4 355 B8R1.1 Cc1nc(cs1)CCl 1P00BZ6A [1,0,0,0,0,0|2,0,1]=4 356 B8R1.1 Cc1nc(cs1)CN 1P007GCS [1,0,0,0,0,0|2,0,1]=4 357 B8R1.1 Cc1nc(cs1)CN 1P00932L [1,0,0,0,0,0|2,0,1]=4 358 B8R1.1 Cc1nc(cs1)CO 1P008QA9 [1,0,0,0,0,0|1,0,1]=3 359 B8R1.1 Cc1nc(sn1)C=O 1P028WPG [1,0,0,0,0,0|3,0,0]=4 360 B8R1.1 Cc1ncc([nH]1)C=O 1P007GWA [1,0,0,0,0,0|2,0,0]=3 361 B8R1.1 Cc1ncc(o1)CO 1P0092QJ [1,0,0,0,0,0|2,0,1]=4 362 B8R1.1 Cc1ncc(s1)C=O 1P0001Z0 [1,0,0,0,0,0|2,0,0]=3 363 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [1,0,0,0,0,0|2,0,1]=4 364 B8R1.1 Cc1nnc([nH]1)C=O 1P00F102 [1,0,0,0,0,0|3,0,0]=4 365 B8R1.1 Cc1nnc(o1)C=O 1P001V27 [1,0,0,0,0,0|3,0,0]=4 366 B8R1.1 Cc1nnc(s1)C=O 1P00EKHB [1,0,0,0,0,0|3,0,0]=4 367 B8R1.1 ClCc1csc(c1)Br 1P019VXY [1,0,0,0,0,0|2,0,1]=4 368 B8R1.1 ClCc1csc(c1)Cl 1P005JNT [1,0,0,0,0,0|2,0,1]=4 369 B8R1.1 Clc1cc(oc1)C=O 1P00IAPN [1,0,0,0,0,0|3,0,0]=4 370 B8R1.1 Clc1cc(sc1)C=O 1P00EDRL [1,0,0,0,0,0|3,0,0]=4 371 B8R1.1 Clc1ccc([nH]1)C=O 1P0021LN [1,0,0,0,0,0|3,0,0]=4 372 B8R1.1 Clc1ccc(o1)C=O 1P003N3F [1,0,0,0,0,0|3,0,0]=4 373 B8R1.1 Clc1ccc(s1)C=O 1P0034Q0 [1,0,0,0,0,0|3,0,0]=4 374 B8R1.1 Clc1nc(cs1)C=O 1P00D8GO [1,0,0,0,0,0|2,0,0]=3 375 B8R1.1 Clc1ncc(s1)C=O 1P0033QG [1,0,0,0,0,0|3,0,0]=4 376 B8R1.1 Cn1cc(nc1)C=O 1P00AP1Y [1,0,0,0,0,0|3,0,0]=4 377 B8R1.1 Cn1cc(nn1)C=O 1P00B5Z3 [1,0,0,0,0,0|3,0,0]=4 378 B8R1.1 Cn1ccc(n1)C=O 1P0039B0 [1,0,0,0,0,0|3,0,0]=4 379 B8R1.1 Cn1nc(cn1)C=O 1P01AMEI [1,0,0,0,0,0|3,0,0]=4 380 B8R1.1 Fc1ccc(s1)C=O 1P002ZHS [1,0,0,0,0,0|3,0,0]=4 381 B8R1.1 Ic1cc([nH]c1)C=O 1P00C71D [1,0,0,0,0,0|3,0,0]=4 382 B8R1.1 Ic1cc(sc1)C=O 1P002H72 [1,0,0,0,0,0|3,0,0]=4 383 B8R1.1 Ic1ccc(o1)C=O 1P003N9Z [1,0,0,0,0,0|3,0,0]=4 384 B8R1.1 N#Cc1csc(c1)Br 1P002H1D [1,0,0,0,0,0|2,0,1]=4 385 B8R1.1 N#Cc1csc(c1)Cl 1P00956C [1,0,0,0,0,0|2,0,1]=4 386 B8R1.1 NCc1coc(c1)C 1P01E7IU [1,0,0,0,0,0|1,1,1]=4 387 B8R1.1 NCc1csc(c1)Br 1P0091TL [1,0,0,0,0,0|2,0,1]=4 388 B8R1.1 NCc1csc(c1)Br 1P01A838 [1,0,0,0,0,0|2,0,1]=4 389 B8R1.1 NCc1csc(c1)C 1P01APJ1 [1,0,0,0,0,0|1,0,1]=3 390 B8R1.1 NCc1csc(c1)Cl 1P0099TB [1,0,0,0,0,0|2,0,1]=4 391 B8R1.1 NCc1csc(n1)C 1P00932M [1,0,0,0,0,0|2,0,1]=4 392 B8R1.1 Nc1nc(cs1)C=C 1P01AM31 [1,0,0,0,0,0|3,0,0]=4 393 B8R1.1 Nc1nc(cs1)C=O 1P005X7P [1,0,0,0,0,0|2,0,0]=3 394 B8R1.1 Nc1nc(cs1)CO 1P00DEM1 [1,0,0,0,0,0|2,0,1]=4 395 B8R1.1 Nc1nc(cs1)CO 1P01BBKH [1,0,0,0,0,0|2,0,1]=4 396 B8R1.1 Nc1ncc(o1)C=O 1P028XIS [1,0,0,0,0,0|3,0,0]=4 397 B8R1.1 Nc1ncc(s1)C=O 1P0001YZ [1,0,0,0,0,0|3,0,0]=4 398 B8R1.1 Nc1ncc(s1)C=O 1P006F62 [1,0,0,0,0,0|3,0,0]=4 399 B8R1.1 O=CC1=CN=C(Br)N1 1P01K7YO [1,0,0,0,0,0|3,0,0]=4 400 B8R1.1 O=CC1=CN=C(Cl)N1 1P01FX29 [1,0,0,0,0,0|3,0,0]=4 401 B8R1.1 O=CC1=COC(Br)=C1 1P01K6BU [1,0,0,0,0,0|1,1,0]=3 402 B8R1.1 O=Cc1c[nH]c(c1)Br 1P0039ZR [1,0,0,0,0,0|2,0,0]=3 403 B8R1.1 O=Cc1ccn(c1)C 1P00CMF0 [1,0,0,0,0,0|2,0,0]=3 404 B8R1.1 O=Cc1cnn(c1)C 1P002QO8 [1,0,0,0,0,0|2,0,0]=3 405 B8R1.1 O=Cc1csc(c1)Br 1P002H1H [1,0,0,0,0,0|1,0,0]=2 406 B8R1.1 O=Cc1csc(c1)C 1P002YT8 [1,0,0,0,0,0|0,0,0]=1 407 B8R1.1 O=Cc1csc(c1)Cl 1P00CLCR [1,0,0,0,0,0|1,0,0]=2 408 B8R1.1 OCc1ccn(c1)C 1P00FHGX [1,0,0,0,0,0|2,0,1]=4 409 B8R1.1 OCc1cnn(c1)C 1P008UP9 [1,0,0,0,0,0|2,0,1]=4 410 B8R1.1 OCc1coc(c1)C 1P01ACSN [1,0,0,0,0,0|0,1,1]=3 411 B8R1.1 OCc1csc(c1)Br 1P00ICX6 [1,0,0,0,0,0|1,0,1]=3 412 B8R1.1 OCc1csc(c1)C 1P00CG87 [1,0,0,0,0,0|0,0,1]=2 413 B8R1.1 OCc1csc(c1)Cl 1P005B17 [1,0,0,0,0,0|1,0,1]=3 414 B8R1.1 OCc1csc(n1)Br 1P00DEFQ [1,0,0,0,0,0|2,0,1]=4 415 B8R1.1 OCc1csc(n1)Br 1P00J2FF [1,0,0,0,0,0|2,0,1]=4 416 B8R1.1 OCc1csc(n1)Cl 1P00DJHX [1,0,0,0,0,0|2,0,1]=4 417 B8R1.1 OCc1csc(n1)F 1P00B931 [1,0,0,0,0,0|2,0,1]=4 418 B8R1.1 Oc1ncc(s1)C=O 1P01BF4T [1,0,0,0,0,0|3,0,0]=4 419 B8R1.1 SCc1csc(c1)C 1P0291R6 [1,0,0,0,0,0|0,1,1]=3 420 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [1,0,0,0,0,0|2,0,0]=3 421 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000X4S [1,0,0,0,0,0|2,0,1]=4 422 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000XD8 [1,0,0,0,0,0|2,0,1]=4 423 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [1,0,0,0,0,0|2,0,0]=3 424 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [1,0,0,0,0,0|3,0,0]=4 425 B8R1.7 CC(=O)c1c[nH]nc1 1P002QO6 [1,0,0,0,0,0|3,0,0]=4 426 B8R1.7 CC(=O)c1c[nH]nc1 1P01BHYR [1,0,0,0,0,0|3,0,0]=4 427 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [1,0,0,0,0,0|3,0,0]=4 428 B8R1.7 CC(=O)c1ccco1 1P000IT2 [1,0,0,0,0,0|3,0,0]=4 429 B8R1.7 CC(=O)c1cccs1 1P0035MZ [1,0,0,0,0,0|3,0,0]=4 430 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [1,0,0,0,0,0|3,0,0]=4 431 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [1,0,0,0,0,0|3,0,0]=4 432 B8R1.7 CC(=O)c1ccno1 1P0049B3 [1,0,0,0,0,0|3,0,0]=4 433 B8R1.7 CC(=O)c1ccns1 1P00C067 [1,0,0,0,0,0|3,0,0]=4 434 B8R1.7 CC(=O)c1ccon1 1P00490X [1,0,0,0,0,0|2,1,0]=4 435 B8R1.7 CC(=O)c1ccsn1 1P00H14V [1,0,0,0,0,0|2,0,0]=3 436 B8R1.7 CC(=O)c1cnco1 1P009KIG [1,0,0,0,0,0|3,0,0]=4 437 B8R1.7 CC(=O)c1cncs1 1P00GT31 [1,0,0,0,0,0|3,0,0]=4 438 B8R1.7 CC(=O)c1cocc1 1P009E7F [1,0,0,0,0,0|1,1,0]=3 439 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [1,0,0,0,0,0|2,1,0]=4 440 B8R1.7 CC(=O)c1cscc1 1P001ETA [1,0,0,0,0,0|1,0,0]=2 441 B8R1.7 CC(=O)c1cscn1 1P007BLA [1,0,0,0,0,0|2,0,0]=3 442 B8R1.7 CC(=O)n1cncc1 1P002PG2 [1,0,0,0,0,0|3,0,0]=4 443 B8R1.7 CC(c1cscc1)N 1P008U4D [1,0,0,0,0,0|2,0,1]=4 444 B8R1.7 CC(c1cscc1)O 1P00AT04 [1,0,0,0,0,0|1,0,1]=3 445 B8R1.7 CC(c1cscn1)O 1P01A4T6 [1,0,0,0,0,0|2,0,1]=4 446 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [1,0,0,0,0,0|1,1,1]=4 447 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [1,0,0,0,0,0|2,0,1]=4 448 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [1,0,0,0,0,0|2,0,1]=4 449 B8R1.7 C[C@@H](c1cscn1)O 1P0283B6 [1,0,0,0,0,0|2,0,1]=4 450 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [1,0,0,0,0,0|1,1,1]=4 451 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [1,0,0,0,0,0|2,0,1]=4 452 B8R1.7 C[C@H](c1cscn1)O 1P0282TD [1,0,0,0,0,0|2,0,1]=4 453 B8R1.7 ClC(=O)c1ccc[nH]1 1P01I097 [1,0,0,0,0,0|3,0,0]=4 454 B8R1.7 ClC(=O)c1cccs1 1P003BQI [1,0,0,0,0,0|3,0,0]=4 455 B8R1.7 ClC(=O)c1ccno1 1P003RMJ [1,0,0,0,0,0|3,0,0]=4 456 B8R1.7 ClC(=O)c1ccns1 1P0078D4 [1,0,0,0,0,0|3,0,0]=4 457 B8R1.7 ClC(=O)c1ccon1 1P01IAXG [1,0,0,0,0,0|2,1,0]=4 458 B8R1.7 ClC(=O)c1cncs1 1P01BDDL [1,0,0,0,0,0|3,0,0]=4 459 B8R1.7 ClC(=O)c1cocc1 1P002SR8 [1,0,0,0,0,0|1,1,0]=3 460 B8R1.7 ClC(=O)c1cscc1 1P00IL11 [1,0,0,0,0,0|1,0,0]=2 461 B8R1.7 ClC(=O)c1cscn1 1P00I7TT [1,0,0,0,0,0|2,0,0]=3 462 B8R1.7 NC(=N)c1cocc1 1P00DA52 [1,0,0,0,0,0|2,1,0]=4 463 B8R1.7 NC(=N)c1cscc1 1P00DIZW [1,0,0,0,0,0|2,0,0]=3 464 B8R1.7 NC(=N)c1cscn1 1P01AFYD [1,0,0,0,0,0|3,0,0]=4 465 B8R1.7 NC(=O)c1c[nH]cn1 1P00BDOS [1,0,0,0,0,0|3,0,0]=4 466 B8R1.7 NC(=O)c1c[nH]nc1 1P003MH2 [1,0,0,0,0,0|3,0,0]=4 467 B8R1.7 NC(=O)c1cc[nH]n1 1P00C7JX [1,0,0,0,0,0|3,0,0]=4 468 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [1,0,0,0,0,0|3,0,0]=4 469 B8R1.7 NC(=O)c1ccco1 1P003HT3 [1,0,0,0,0,0|3,0,0]=4 470 B8R1.7 NC(=O)c1ccno1 1P0043TN [1,0,0,0,0,0|3,0,0]=4 471 B8R1.7 NC(=O)c1ccon1 1P002XP4 [1,0,0,0,0,0|2,1,0]=4 472 B8R1.7 NC(=O)c1ccsn1 1P00BVCR [1,0,0,0,0,0|2,0,0]=3 473 B8R1.7 NC(=O)c1cnco1 1P001QI7 [1,0,0,0,0,0|3,0,0]=4 474 B8R1.7 NC(=O)c1cncs1 1P008QNN [1,0,0,0,0,0|3,0,0]=4 475 B8R1.7 NC(=O)c1cocc1 1P00EFS9 [1,0,0,0,0,0|1,1,0]=3 476 B8R1.7 NC(=O)c1cocn1 1P002MBL [1,0,0,0,0,0|2,1,0]=4 477 B8R1.7 NC(=O)c1cscc1 1P003V9E [1,0,0,0,0,0|1,0,0]=2 478 B8R1.7 NC(=O)c1cscn1 1P00C1EW [1,0,0,0,0,0|2,0,0]=3 479 B8R1.7 NC(=O)c1csnn1 1P00C0TL [1,0,0,0,0,0|3,0,0]=4 480 B8R1.7 NC(=S)c1c[nH]cc1 1P01DXAQ [1,0,0,0,0,0|2,1,0]=4 481 B8R1.7 NC(=S)c1ccsn1 1P01FL5D [1,0,0,0,0,0|2,1,0]=4 482 B8R1.7 NC(=S)c1cocc1 1P00EBIY [1,0,0,0,0,0|1,2,0]=4 483 B8R1.7 NC(=S)c1cscc1 1P00BEIE [1,0,0,0,0,0|1,1,0]=3 484 B8R1.7 NC(=S)c1cscn1 1P00G4NZ [1,0,0,0,0,0|2,1,0]=4 485 B8R1.7 O=C(C1=CCOC1)O 1P01JXNN [1,0,0,0,0,0|0,1,2]=4 486 B8R1.7 OB(c1cocc1)O 1P00346G [1,0,0,0,0,0|1,1,1]=4 487 B8R1.7 OB(c1cscc1)O 1P003928 [1,0,0,0,0,0|1,0,1]=3 488 B8R1.7 OB(c1ncsc1)O 1P0005KJ [1,0,0,0,0,0|2,0,1]=4 489 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [1,0,0,0,0,0|1,0,2]=4 490 B8R1.7 OC(=O)C1=CCCO1 1P018SRH [1,0,0,0,0,0|2,0,1]=4 491 B8R1.7 OC(=O)C1=CCCS1 1P01AJ4A [1,0,0,0,0,0|2,0,1]=4 492 B8R1.7 OC(=O)C1=CCNC1 1P028OIS [1,0,0,0,0,0|1,0,2]=4 493 B8R1.7 OC(=O)C1=COCC1 1P00IKH9 [1,0,0,0,0,0|0,1,2]=4 494 B8R1.7 OC(=O)C1CCC=C1 1P002NU7 [1,0,0,0,0,0|1,0,2]=4 495 B8R1.7 OC(=O)C1NCC=C1 1P003IW1 [1,0,0,0,0,0|2,0,1]=4 496 B8R1.7 OC(=O)C1NCC=C1 1P01EMGG [1,0,0,0,0,0|2,0,1]=4 497 B8R1.7 OC(=O)C1OCC=C1 1P00BDV6 [1,0,0,0,0,0|2,0,1]=4 498 B8R1.7 OC(=O)C1SCC=C1 1P01GC5N [1,0,0,0,0,0|2,0,1]=4 499 B8R1.7 OC(=O)[C-]1C=CC=C1 1P000X4X [1,0,0,0,0,0|1,0,1]=3 500 B8R1.7 OC(=O)[C-]1C=CC=C1 1P000ZJ9 [1,0,0,0,0,0|1,0,1]=3 501 B8R1.7 OC(=O)[C@@H]1NCC=C1 1P00E9QJ [1,0,0,0,0,0|2,0,1]=4 502 B8R1.7 OC(=O)[C@H]1NCC=C1 1P002DVL [1,0,0,0,0,0|2,0,1]=4 503 B8R1.7 OC(=O)[C@H]1NCC=C1 1P003IW2 [1,0,0,0,0,0|2,0,1]=4 504 B8R1.7 OC(=O)c1c[nH]cc1 1P003UJU [1,0,0,0,0,0|1,0,0]=2 505 B8R1.7 OC(=O)c1c[nH]cn1 1P00338I [1,0,0,0,0,0|2,0,0]=3 506 B8R1.7 OC(=O)c1c[nH]nc1 1P0034LR [1,0,0,0,0,0|2,0,0]=3 507 B8R1.7 OC(=O)c1c[nH]nn1 1P003JZ0 [1,0,0,0,0,0|3,0,0]=4 508 B8R1.7 OC(=O)c1cc[nH]n1 1P001T7R [1,0,0,0,0,0|2,0,0]=3 509 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [1,0,0,0,0,0|2,0,0]=3 510 B8R1.7 OC(=O)c1cccs1 1P003IEW [1,0,0,0,0,0|2,0,0]=3 511 B8R1.7 OC(=O)c1ccn[nH]1 1P008M23 [1,0,0,0,0,0|2,0,0]=3 512 B8R1.7 OC(=O)c1ccno1 1P003RMK [1,0,0,0,0,0|2,0,0]=3 513 B8R1.7 OC(=O)c1ccns1 1P0008NL [1,0,0,0,0,0|2,0,0]=3 514 B8R1.7 OC(=O)c1ccon1 1P0038IR [1,0,0,0,0,0|1,1,0]=3 515 B8R1.7 OC(=O)c1ccsn1 1P006Z9D [1,0,0,0,0,0|1,0,0]=2 516 B8R1.7 OC(=O)c1cnco1 1P0038RZ [1,0,0,0,0,0|2,0,0]=3 517 B8R1.7 OC(=O)c1cncs1 1P001L77 [1,0,0,0,0,0|2,0,0]=3 518 B8R1.7 OC(=O)c1cnn[nH]1 1P00EIWD [1,0,0,0,0,0|3,0,0]=4 519 B8R1.7 OC(=O)c1cnn[nH]1 1P01JRD6 [1,0,0,0,0,0|3,0,0]=4 520 B8R1.7 OC(=O)c1cnns1 1P00DIE1 [1,0,0,0,0,0|3,0,0]=4 521 B8R1.7 OC(=O)c1cnon1 1P004BG6 [1,0,0,0,0,0|2,1,0]=4 522 B8R1.7 OC(=O)c1cnsn1 1P0038LO [1,0,0,0,0,0|2,0,0]=3 523 B8R1.7 OC(=O)c1cocc1 1P00346H [1,0,0,0,0,0|0,1,0]=2 524 B8R1.7 OC(=O)c1cocn1 1P002MBN [1,0,0,0,0,0|1,1,0]=3 525 B8R1.7 OC(=O)c1conc1 1P00EAGN [1,0,0,0,0,0|1,1,0]=3 526 B8R1.7 OC(=O)c1cscc1 1P00348Y [1,0,0,0,0,0|0,0,0]=1 527 B8R1.7 OC(=O)c1cscn1 1P003MJ5 [1,0,0,0,0,0|1,0,0]=2 528 B8R1.7 OC(=O)c1csnc1 1P0050GK [1,0,0,0,0,0|1,0,0]=2 529 B8R1.7 OC(=O)c1csnn1 1P003DRD [1,0,0,0,0,0|2,0,0]=3 530 B8R1.7 OC(=O)c1n[nH]cn1 1P0036FG [1,0,0,0,0,0|3,0,0]=4 531 B8R1.7 OC(=O)c1ncc[nH]1 1P00338H [1,0,0,0,0,0|3,0,0]=4 532 B8R1.7 OC(=O)c1ncco1 1P0035WL [1,0,0,0,0,0|3,0,0]=4 533 B8R1.7 OC(=O)c1ncco1 1P028A5I [1,0,0,0,0,0|3,0,0]=4 534 B8R1.7 OC(=O)c1nccs1 1P001HT7 [1,0,0,0,0,0|3,0,0]=4 535 B8R1.7 OC(=O)c1ncns1 1P00IMRS [1,0,0,0,0,0|3,0,0]=4 536 B8R1.7 OC(=O)c1nocn1 1P00330S [1,0,0,0,0,0|2,1,0]=4 537 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [1,0,0,0,0,0|2,0,1]=4 538 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [1,0,0,0,0,0|2,0,1]=4 539 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [1,0,0,0,0,0|2,0,1]=4 540 B8R1.7 [O-]C(=O)c1cncs1 1P01A8FB [1,0,0,0,0,0|2,0,1]=4 541 B8R1.7 [O-]C(=O)c1cscn1 1P01A81R [1,0,0,0,0,0|1,0,1]=3 542 B8R1.7 [O-]C(=O)c1nscn1 1P0280RZ [1,0,0,0,0,0|2,0,1]=4 543 B8R1.7 [O-][N+](=O)c1c[nH]cc1 1P003KAM [1,0,0,0,0,0|2,0,1]=4 544 B8R1.7 [O-][N+](=O)c1csnc1 1P00GVGB [1,0,0,0,0,0|2,0,1]=4 545 B10R1.14 BrCC(=O)c1cnn(c1)C 1P0065TA [0,1,0,0,0,0|3,0,0]=4 546 B10R1.14 BrCC(=O)c1cnn(c1)C 1P01AADD [0,1,0,0,0,0|3,0,0]=4 547 B10R1.14 BrCC(=O)c1csc(n1)Br 1P01EM99 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.14 CCC(=O)c1ccc(o1)C 1P0038SV [0,1,0,0,0,0|3,0,0]=4 549 B10R1.14 CCC(=O)c1ccc(s1)C 1P00EE39 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.14 CCC(=O)c1cnn(c1)C 1P00039H [0,1,0,0,0,0|3,0,0]=4 551 B10R1.14 CNC(=O)c1cnc(s1)C 1P019YCH [0,1,0,0,0,0|3,0,0]=4 552 B10R1.14 CNC(=O)c1csc(n1)Br 1P007BI2 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.14 CNC(=O)c1csc(n1)N 1P00GAXH [0,1,0,0,0,0|3,0,0]=4 554 B10R1.14 CNC(=O)c1noc(c1)C 1P00BVEW [0,1,0,0,0,0|2,1,0]=4 555 B10R1.14 COC(=O)C1=CC(=O)CC1 1P009NEQ [0,1,0,0,0,0|2,0,1]=4 556 B10R1.14 COC(=O)C1CSC(=N1)C 1P01KL5W [0,1,0,0,0,0|1,0,2]=4 557 B10R1.14 COC(=O)C1SCC(=C1)C 1P02804M [0,1,0,0,0,0|2,0,1]=4 558 B10R1.14 COC(=O)c1[nH]cc(c1)C 1P00BZXT [0,1,0,0,0,0|2,0,0]=3 559 B10R1.14 COC(=O)c1c[nH]c(=O)[nH]1 1P002KH9 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.14 COC(=O)c1c[nH]c(c1)Br 1P001V6B [0,1,0,0,0,0|2,0,0]=3 561 B10R1.14 COC(=O)c1c[nH]c(c1)C 1P00CLRP [0,1,0,0,0,0|1,0,0]=2 562 B10R1.14 COC(=O)c1c[nH]c(n1)C 1P005ZBP [0,1,0,0,0,0|2,0,0]=3 563 B10R1.14 COC(=O)c1cc(=O)[nH][nH]1 1P00GT4Z [0,1,0,0,0,0|3,0,0]=4 564 B10R1.14 COC(=O)c1cc(=O)[nH]o1 1P000334 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.14 COC(=O)c1cc(=O)[nH]s1 1P0001TM [0,1,0,0,0,0|3,0,0]=4 566 B10R1.14 COC(=O)c1cc([nH]n1)Br 1P0011SB [0,1,0,0,0,0|3,0,0]=4 567 B10R1.14 COC(=O)c1cc([nH]n1)Cl 1P0022ZY [0,1,0,0,0,0|3,0,0]=4 568 B10R1.14 COC(=O)c1cc([nH]n1)I 1P00ANYR [0,1,0,0,0,0|3,0,0]=4 569 B10R1.14 COC(=O)c1cc([nH]n1)N 1P003SDL [0,1,0,0,0,0|3,0,0]=4 570 B10R1.14 COC(=O)c1cc([nH]n1)O 1P000664 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.14 COC(=O)c1cc(c[nH]1)Br 1P003SBB [0,1,0,0,0,0|3,0,0]=4 572 B10R1.14 COC(=O)c1cc(c[nH]1)Cl 1P000J5Y [0,1,0,0,0,0|3,0,0]=4 573 B10R1.14 COC(=O)c1cc(c[nH]1)F 1P003SC1 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.14 COC(=O)c1cc(c[nH]1)I 1P0075V4 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.14 COC(=O)c1cc(c[nH]1)N 1P00IXFY [0,1,0,0,0,0|3,0,0]=4 576 B10R1.14 COC(=O)c1cc(co1)Br 1P0035O4 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.14 COC(=O)c1cc(cs1)Br 1P00EGB0 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.14 COC(=O)c1cc(cs1)Cl 1P004JHV [0,1,0,0,0,0|3,0,0]=4 579 B10R1.14 COC(=O)c1cc(cs1)F 1P00CMEV [0,1,0,0,0,0|3,0,0]=4 580 B10R1.14 COC(=O)c1cc(cs1)I 1P008CYM [0,1,0,0,0,0|3,0,0]=4 581 B10R1.14 COC(=O)c1cc(cs1)N 1P0035NZ [0,1,0,0,0,0|3,0,0]=4 582 B10R1.14 COC(=O)c1cc(n[nH]1)Br 1P01FSJK [0,1,0,0,0,0|3,0,0]=4 583 B10R1.14 COC(=O)c1cc(n[nH]1)N 1P00J2U2 [0,1,0,0,0,0|3,0,0]=4 584 B10R1.14 COC(=O)c1cc(no1)Br 1P00C1RC [0,1,0,0,0,0|3,0,0]=4 585 B10R1.14 COC(=O)c1cc(no1)N 1P0029GL [0,1,0,0,0,0|3,0,0]=4 586 B10R1.14 COC(=O)c1cc(on1)Br 1P027L7R [0,1,0,0,0,0|2,1,0]=4 587 B10R1.14 COC(=O)c1cc(on1)I 1P01C7T1 [0,1,0,0,0,0|2,1,0]=4 588 B10R1.14 COC(=O)c1cc(on1)N 1P00AT12 [0,1,0,0,0,0|2,1,0]=4 589 B10R1.14 COC(=O)c1cc(sn1)I 1P01ELXH [0,1,0,0,0,0|2,0,0]=3 590 B10R1.14 COC(=O)c1ccc([nH]1)Br 1P006GEU [0,1,0,0,0,0|3,0,0]=4 591 B10R1.14 COC(=O)c1ccc([nH]1)C 1P000J5X [0,1,0,0,0,0|2,0,0]=3 592 B10R1.14 COC(=O)c1ccc([nH]1)Cl 1P01A09X [0,1,0,0,0,0|3,0,0]=4 593 B10R1.14 COC(=O)c1ccc([nH]1)N 1P019DNR [0,1,0,0,0,0|3,0,0]=4 594 B10R1.14 COC(=O)c1ccc(o1)Br 1P003SDZ [0,1,0,0,0,0|3,0,0]=4 595 B10R1.14 COC(=O)c1ccc(o1)C 1P003SEP [0,1,0,0,0,0|2,0,0]=3 596 B10R1.14 COC(=O)c1ccc(o1)Cl 1P003SEC [0,1,0,0,0,0|3,0,0]=4 597 B10R1.14 COC(=O)c1ccc(o1)N 1P007ONX [0,1,0,0,0,0|3,0,0]=4 598 B10R1.14 COC(=O)c1ccc(s1)Br 1P00ECSW [0,1,0,0,0,0|3,0,0]=4 599 B10R1.14 COC(=O)c1ccc(s1)C 1P00AR6J [0,1,0,0,0,0|2,0,0]=3 600 B10R1.14 COC(=O)c1ccc(s1)Cl 1P00C6ZY [0,1,0,0,0,0|3,0,0]=4 601 B10R1.14 COC(=O)c1ccc(s1)I 1P004JHT [0,1,0,0,0,0|3,0,0]=4 602 B10R1.14 COC(=O)c1ccc(s1)N 1P001E1I [0,1,0,0,0,0|3,0,0]=4 603 B10R1.14 COC(=O)c1ccc(s1)O 1P00HBGP [0,1,0,0,0,0|3,0,0]=4 604 B10R1.14 COC(=O)c1ccn(c1)C 1P00CN2R [0,1,0,0,0,0|2,0,0]=3 605 B10R1.14 COC(=O)c1ccn(n1)C 1P0026DD [0,1,0,0,0,0|3,0,0]=4 606 B10R1.14 COC(=O)c1cnc([nH]1)Br 1P01KLB7 [0,1,0,0,0,0|3,0,0]=4 607 B10R1.14 COC(=O)c1cnc([nH]1)Br 1P027VM0 [0,1,0,0,0,0|3,0,0]=4 608 B10R1.14 COC(=O)c1cnc(o1)C 1P0037E6 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.14 COC(=O)c1cnc(o1)Cl 1P00641E [0,1,0,0,0,0|3,0,0]=4 610 B10R1.14 COC(=O)c1cnc(o1)N 1P00641F [0,1,0,0,0,0|3,0,0]=4 611 B10R1.14 COC(=O)c1cnc(s1)Br 1P003S3U [0,1,0,0,0,0|3,0,0]=4 612 B10R1.14 COC(=O)c1cnc(s1)C 1P00DJI0 [0,1,0,0,0,0|2,0,0]=3 613 B10R1.14 COC(=O)c1cnc(s1)Cl 1P005G9V [0,1,0,0,0,0|3,0,0]=4 614 B10R1.14 COC(=O)c1cnc(s1)F 1P027X2H [0,1,0,0,0,0|3,0,0]=4 615 B10R1.14 COC(=O)c1cnc(s1)N 1P003S3P [0,1,0,0,0,0|3,0,0]=4 616 B10R1.14 COC(=O)c1cnc(s1)S 1P00GTIR [0,1,0,0,0,0|3,0,0]=4 617 B10R1.14 COC(=O)c1cnn(c1)C 1P00EAZ6 [0,1,0,0,0,0|2,0,0]=3 618 B10R1.14 COC(=O)c1cnn(n1)C 1P003S58 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.14 COC(=O)c1coc(c1)Br 1P01C1MB [0,1,0,0,0,0|1,1,0]=3 620 B10R1.14 COC(=O)c1coc(c1)C 1P00I7HE [0,1,0,0,0,0|0,1,0]=2 621 B10R1.14 COC(=O)c1coc(n1)Br 1P008ZHU [0,1,0,0,0,0|2,1,0]=4 622 B10R1.14 COC(=O)c1coc(n1)C 1P0035MT [0,1,0,0,0,0|1,1,0]=3 623 B10R1.14 COC(=O)c1coc(n1)Cl 1P00GVD9 [0,1,0,0,0,0|2,1,0]=4 624 B10R1.14 COC(=O)c1coc(n1)N 1P00017R [0,1,0,0,0,0|2,1,0]=4 625 B10R1.14 COC(=O)c1csc(=O)[nH]1 1P01FZ3K [0,1,0,0,0,0|2,0,0]=3 626 B10R1.14 COC(=O)c1csc(c1)Br 1P00H04M [0,1,0,0,0,0|1,0,0]=2 627 B10R1.14 COC(=O)c1csc(c1)C 1P003ACN [0,1,0,0,0,0|0,0,0]=1 628 B10R1.14 COC(=O)c1csc(c1)Cl 1P007BOS [0,1,0,0,0,0|1,0,0]=2 629 B10R1.14 COC(=O)c1csc(c1)I 1P00H4PS [0,1,0,0,0,0|1,0,0]=2 630 B10R1.14 COC(=O)c1csc(c1)N 1P002GVM [0,1,0,0,0,0|1,0,0]=2 631 B10R1.14 COC(=O)c1csc(n1)Br 1P0079DF [0,1,0,0,0,0|2,0,0]=3 632 B10R1.14 COC(=O)c1csc(n1)C 1P00EIUH [0,1,0,0,0,0|1,0,0]=2 633 B10R1.14 COC(=O)c1csc(n1)Cl 1P0036UA [0,1,0,0,0,0|2,0,0]=3 634 B10R1.14 COC(=O)c1csc(n1)N 1P003H0V [0,1,0,0,0,0|2,0,0]=3 635 B10R1.14 COC(=O)c1n[nH]c(c1)C 1P002QO5 [0,1,0,0,0,0|2,0,0]=3 636 B10R1.14 COC(=O)c1n[nH]c(c1)C 1P028Q5E [0,1,0,0,0,0|2,0,0]=3 637 B10R1.14 COC(=O)c1ncc([nH]1)C 1P028GME [0,1,0,0,0,0|3,0,0]=4 638 B10R1.14 COC(=O)c1ncc(o1)C 1P000NEY [0,1,0,0,0,0|3,0,0]=4 639 B10R1.14 COC(=O)c1ncc(s1)C 1P00G614 [0,1,0,0,0,0|3,0,0]=4 640 B10R1.14 COC(=O)c1ncn(c1)C 1P0038G4 [0,1,0,0,0,0|3,0,0]=4 641 B10R1.14 COC(=O)c1nnc(o1)C 1P0078X8 [0,1,0,0,0,0|3,0,0]=4 642 B10R1.14 COC(=O)c1nnn(c1)C 1P003S19 [0,1,0,0,0,0|3,0,0]=4 643 B10R1.14 COC(=O)c1noc(c1)C 1P002BLK [0,1,0,0,0,0|1,1,0]=3 644 B10R1.14 COC(=O)c1noc(n1)C 1P007RJC [0,1,0,0,0,0|2,1,0]=4 645 B10R1.14 COC(=O)c1nsc(n1)Br 1P0286Z7 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.14 COC(=O)c1nsc(n1)Cl 1P01EJ2O [0,1,0,0,0,0|3,0,0]=4 647 B10R1.14 COC(=O)c1nsc(n1)N 1P00GRJU [0,1,0,0,0,0|3,0,0]=4 648 B10R1.14 COC(=O)c1onc(c1)C 1P0002D6 [0,1,0,0,0,0|2,0,0]=3 649 B10R1.14 COC(=O)c1onc(n1)C 1P01DHX4 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.14 COC(=O)c1scc(c1)C 1P002WJZ [0,1,0,0,0,0|2,0,0]=3 651 B10R1.14 COC(=O)c1scc(n1)C 1P001DHO [0,1,0,0,0,0|3,0,0]=4 652 B10R1.14 COC(=O)c1snc(c1)C 1P01OSLA [0,1,0,0,0,0|2,0,0]=3 653 B10R1.14 COC(=O)c1snc(n1)C 1P00CMRE [0,1,0,0,0,0|3,0,0]=4 654 B10R1.14 Cc1cc(n[nH]1)C(=O)NN 1P007735 [0,1,0,0,0,0|3,0,0]=4 655 B10R1.14 Cc1cc(no1)C(=O)CBr 1P00EDHV [0,1,0,0,0,0|2,1,0]=4 656 B10R1.14 Cc1cc(no1)C(=O)CCl 1P01DVY4 [0,1,0,0,0,0|2,1,0]=4 657 B10R1.14 Cc1cc(no1)C(=O)NN 1P00ECKB [0,1,0,0,0,0|2,1,0]=4 658 B10R1.14 Cc1cc(ns1)C(=O)CCl 1P027YKS [0,1,0,0,0,0|2,0,0]=3 659 B10R1.14 Cc1cc(on1)C(=O)CBr 1P007H1D [0,1,0,0,0,0|3,0,0]=4 660 B10R1.14 Cc1cc(on1)C(=O)CCl 1P01AFZW [0,1,0,0,0,0|3,0,0]=4 661 B10R1.14 Cc1cc(on1)C(=O)NN 1P0063OK [0,1,0,0,0,0|3,0,0]=4 662 B10R1.14 Cc1cc(sc1)C(=O)CCl 1P00DTR4 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.14 Cc1cc(sc1)C(=O)NN 1P00G22N [0,1,0,0,0,0|3,0,0]=4 664 B10R1.14 Cc1ccc(o1)C(=O)CBr 1P001UJS [0,1,0,0,0,0|3,0,0]=4 665 B10R1.14 Cc1ccc(o1)C(=O)NN 1P002K50 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.14 Cc1ccc(o1)\C(=N\O)\N 1P00J2WW [0,1,0,0,0,0|3,0,0]=4 667 B10R1.14 Cc1ccc(s1)C(=O)CBr 1P007X7D [0,1,0,0,0,0|3,0,0]=4 668 B10R1.14 Cc1ccc(s1)C(=O)CCl 1P00CM4H [0,1,0,0,0,0|3,0,0]=4 669 B10R1.14 Cc1ccc(s1)C(=O)CN 1P00014J [0,1,0,0,0,0|3,0,0]=4 670 B10R1.14 Cc1ccc(s1)C(=O)NN 1P000TOG [0,1,0,0,0,0|3,0,0]=4 671 B10R1.14 Cc1nc(co1)C(=O)NN 1P00DCMD [0,1,0,0,0,0|2,1,0]=4 672 B10R1.14 Cc1nc(cs1)C(=O)CN 1P028P3L [0,1,0,0,0,0|2,0,0]=3 673 B10R1.14 Cc1nc(cs1)C(=O)NN 1P0005VY [0,1,0,0,0,0|2,0,0]=3 674 B10R1.14 Cc1ncc(s1)C(=O)NN 1P00D87Y [0,1,0,0,0,0|3,0,0]=4 675 B10R1.14 ClCC(=O)c1ccn(c1)C 1P000THV [0,1,0,0,0,0|3,0,0]=4 676 B10R1.14 ClCC(=O)c1cnn(c1)C 1P01AKZ4 [0,1,0,0,0,0|3,0,0]=4 677 B10R1.14 ClCC(=O)c1coc(c1)C 1P028JHH [0,1,0,0,0,0|1,1,0]=3 678 B10R1.14 ClCC(=O)c1csc(c1)Br 1P028W26 [0,1,0,0,0,0|2,0,0]=3 679 B10R1.14 FCC(=O)c1cnn(c1)C 1P01FJPB [0,1,0,0,0,0|3,0,0]=4 680 B10R1.14 NCC(=O)c1cnn(c1)C 1P01BJKB [0,1,0,0,0,0|3,0,0]=4 681 B10R1.14 NCC(=O)c1cnn(c1)C 1P01BJZ2 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.14 NNC(=O)c1cnc(s1)C 1P02806A [0,1,0,0,0,0|3,0,0]=4 683 B10R1.14 NNC(=O)c1cnn(c1)C 1P00ANY4 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.14 NNC(=O)c1csc(c1)C 1P00DDDA [0,1,0,0,0,0|1,0,0]=2 685 B10R1.14 NNC(=O)c1csc(n1)Cl 1P027VJ4 [0,1,0,0,0,0|3,0,0]=4 686 B10R1.14 Nc1nc(cs1)C(=O)CCl 1P01A6YT [0,1,0,0,0,0|3,0,0]=4 687 B10R1.14 ON=C(c1cnn(c1)C)C 1P01A8AH [0,1,0,0,0,0|3,0,0]=4 688 B10R1.14 ON=C(c1cnn(c1)C)Cl 1P01ACPC [0,1,0,0,0,0|3,0,0]=4 689 B10R1.14 ON=C(c1cnn(c1)C)N 1P019VND [0,1,0,0,0,0|3,0,0]=4 690 B10R1.14 ONC(=O)c1ccc(s1)Br 1P00IE6H [0,1,0,0,0,0|3,0,0]=4 691 B10R1.31 BrCc1occ(n1)C(=O)O 1P01AE6M [0,1,0,0,0,0|1,1,0]=3 692 B10R1.31 BrCc1onc(c1)C(=O)C 1P01BCVD [0,1,0,0,0,0|2,1,0]=4 693 B10R1.31 C#Cc1scc(n1)C(=O)O 1P024VJ3 [0,1,0,0,0,0|1,0,1]=3 694 B10R1.31 CCc1[nH]cc(n1)C(=O)O 1P01EKLJ [0,1,0,0,0,0|2,0,0]=3 695 B10R1.31 CCc1[nH]nc(c1)C(=O)O 1P007473 [0,1,0,0,0,0|2,0,0]=3 696 B10R1.31 CCc1c[nH]c(c1)C(=O)O 1P01EBMD [0,1,0,0,0,0|2,0,0]=3 697 B10R1.31 CCc1ccc([nH]1)C(=O)O 1P00J2Z2 [0,1,0,0,0,0|2,0,0]=3 698 B10R1.31 CCc1ccc(o1)C(=O)C 1P00BGPC [0,1,0,0,0,0|3,0,0]=4 699 B10R1.31 CCc1ccc(o1)C(=O)O 1P00EEOV [0,1,0,0,0,0|2,0,0]=3 700 B10R1.31 CCc1ccc(s1)C(=O)C 1P007SDK [0,1,0,0,0,0|3,0,0]=4 701 B10R1.31 CCc1ccc(s1)C(=O)O 1P002N24 [0,1,0,0,0,0|2,0,0]=3 702 B10R1.31 CCc1cnc([nH]1)C(=O)O 1P028BNC [0,1,0,0,0,0|3,0,0]=4 703 B10R1.31 CCc1ncc([nH]1)C(=O)O 1P0057IS [0,1,0,0,0,0|2,0,0]=3 704 B10R1.31 CCc1ncc(s1)C(=O)O 1P0031IK [0,1,0,0,0,0|2,0,0]=3 705 B10R1.31 CCc1noc(c1)C(=O)O 1P001EDW [0,1,0,0,0,0|2,0,0]=3 706 B10R1.31 CCc1occ(n1)C(=O)O 1P005CD4 [0,1,0,0,0,0|1,1,0]=3 707 B10R1.31 CCc1onc(c1)C(=O)O 1P006VAQ [0,1,0,0,0,0|1,1,0]=3 708 B10R1.31 CCc1scc(c1)C(=O)O 1P002FSE [0,1,0,0,0,0|0,0,0]=1 709 B10R1.31 CCc1scc(n1)C(=O)O 1P001VG7 [0,1,0,0,0,0|1,0,0]=2 710 B10R1.31 CCc1scc(n1)C(=O)O 1P00G6GV [0,1,0,0,0,0|1,0,0]=2 711 B10R1.31 CCc1snc(c1)C(=O)O 1P028A9W [0,1,0,0,0,0|1,0,0]=2 712 B10R1.31 CCn1cc(cn1)C(=O)N 1P0090V8 [0,1,0,0,0,0|3,0,0]=4 713 B10R1.31 CCn1cc(cn1)C(=O)O 1P003ES6 [0,1,0,0,0,0|2,0,0]=3 714 B10R1.31 CCn1cc(nc1)C(=O)O 1P01B6UR [0,1,0,0,0,0|3,0,0]=4 715 B10R1.31 CCn1ccc(n1)C(=O)O 1P00337Z [0,1,0,0,0,0|3,0,0]=4 716 B10R1.31 CCn1ncc(c1)C(=O)C 1P00JAI1 [0,1,0,0,0,0|3,0,0]=4 717 B10R1.31 CCn1nnc(c1)C(=O)O 1P01C5OV [0,1,0,0,0,0|3,0,0]=4 718 B10R1.31 CNc1ncc(o1)C(=O)O 1P02497V [0,1,0,0,0,0|2,0,0]=3 719 B10R1.31 CNc1ncc(s1)C(=O)O 1P01A08Y [0,1,0,0,0,0|2,0,0]=3 720 B10R1.31 CNc1scc(n1)C(=O)O 1P008VK0 [0,1,0,0,0,0|1,0,0]=2 721 B10R1.31 CNc1scc(n1)C(=O)O 1P00J2OW [0,1,0,0,0,0|1,0,0]=2 722 B10R1.31 CNc1scc(n1)C(=O)[O-] 1P0293WC [0,1,0,0,0,0|1,0,1]=3 723 B10R1.31 COc1[nH]nc(c1)C(=O)O 1P00IFGJ [0,1,0,0,0,0|2,0,0]=3 724 B10R1.31 COc1c[nH]c(c1)C(=O)O 1P01J5KA [0,1,0,0,0,0|2,0,0]=3 725 B10R1.31 COc1ccc(o1)C(=O)O 1P00GW12 [0,1,0,0,0,0|2,0,0]=3 726 B10R1.31 COc1ccc(s1)C(=O)O 1P002Y5Y [0,1,0,0,0,0|2,0,0]=3 727 B10R1.31 COc1cnc(o1)C(=O)O 1P00DFUK [0,1,0,0,0,0|3,0,0]=4 728 B10R1.31 COc1csc(c1)C(=O)O 1P00GH0O [0,1,0,0,0,0|2,0,0]=3 729 B10R1.31 COc1ncc(s1)C(=O)[O-] 1P00FGUJ [0,1,0,0,0,0|2,0,1]=4 730 B10R1.31 COc1noc(c1)C(=O)C 1P01AN7P [0,1,0,0,0,0|3,0,0]=4 731 B10R1.31 COc1noc(c1)C(=O)N 1P00HZPS [0,1,0,0,0,0|3,0,0]=4 732 B10R1.31 COc1noc(c1)C(=O)O 1P0080M7 [0,1,0,0,0,0|2,0,0]=3 733 B10R1.31 COc1nsc(c1)C(=O)C 1P01DTW0 [0,1,0,0,0,0|3,0,0]=4 734 B10R1.31 COc1occ(n1)C(=O)O 1P01AVB8 [0,1,0,0,0,0|1,1,0]=3 735 B10R1.31 COc1onc(c1)C(=O)[O-] 1P028WFT [0,1,0,0,0,0|1,1,1]=4 736 B10R1.31 CSc1ccc(o1)C(=O)O 1P01AHSR [0,1,0,0,0,0|2,0,0]=3 737 B10R1.31 CSc1ccc(s1)C(=O)N 1P01CBIM [0,1,0,0,0,0|3,0,0]=4 738 B10R1.31 CSc1ccc(s1)C(=O)O 1P002KC3 [0,1,0,0,0,0|2,0,0]=3 739 B10R1.31 CSc1ncc([nH]1)C(=O)O 1P027U63 [0,1,0,0,0,0|2,0,0]=3 740 B10R1.31 CSc1occ(c1)C(=O)O 1P01C5EF [0,1,0,0,0,0|0,1,0]=2 741 B10R1.31 CSc1scc(n1)C(=O)O 1P006N0C [0,1,0,0,0,0|1,0,0]=2 742 B10R1.31 ClCc1[nH]cc(n1)C(=O)O 1P01FLF5 [0,1,0,0,0,0|2,0,0]=3 743 B10R1.31 ClCc1csc(c1)C(=O)C 1P00C64V [0,1,0,0,0,0|3,0,0]=4 744 B10R1.31 ClCc1csc(c1)C(=O)O 1P0284J7 [0,1,0,0,0,0|2,0,0]=3 745 B10R1.31 ClCc1noc(c1)C(=O)O 1P01E9XO [0,1,0,0,0,0|2,0,0]=3 746 B10R1.31 ClCc1onc(c1)C(=O)O 1P007HV1 [0,1,0,0,0,0|1,1,0]=3 747 B10R1.31 ClCc1scc(n1)C(=O)C 1P027TSI [0,1,0,0,0,0|2,0,0]=3 748 B10R1.31 ClCc1scc(n1)C(=O)O 1P01AMGQ [0,1,0,0,0,0|1,0,0]=2 749 B10R1.31 FCc1onc(c1)C(=O)O 1P007KBV [0,1,0,0,0,0|1,1,0]=3 750 B10R1.31 N#Cc1[nH]cc(c1)C(=O)N 1P01A3YS [0,1,0,0,0,0|2,0,1]=4 751 B10R1.31 N#Cc1[nH]cc(c1)C(=O)O 1P00AOIO [0,1,0,0,0,0|1,0,1]=3 752 B10R1.31 N#Cc1[nH]nc(c1)C(=O)O 1P009A4I [0,1,0,0,0,0|2,0,1]=4 753 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O 1P005O1P [0,1,0,0,0,0|2,0,1]=4 754 B10R1.31 N#Cc1ccc([nH]1)C(=O)O 1P00G9V9 [0,1,0,0,0,0|2,0,1]=4 755 B10R1.31 N#Cc1ccc(o1)C(=O)O 1P00C4UO [0,1,0,0,0,0|2,0,1]=4 756 B10R1.31 N#Cc1ccc(s1)C(=O)O 1P00EEN4 [0,1,0,0,0,0|2,0,1]=4 757 B10R1.31 N#Cc1coc(c1)C(=O)O 1P00131F [0,1,0,0,0,0|2,0,1]=4 758 B10R1.31 N#Cc1csc(c1)C(=O)O 1P0036CB [0,1,0,0,0,0|2,0,1]=4 759 B10R1.31 N#Cc1ncc(s1)C(=O)O 1P01BABI [0,1,0,0,0,0|2,0,1]=4 760 B10R1.31 N#Cc1noc(c1)C(=O)O 1P01R3HA [0,1,0,0,0,0|2,0,1]=4 761 B10R1.31 N#Cc1occ(c1)C(=O)O 1P01BTZ2 [0,1,0,0,0,0|0,1,1]=3 762 B10R1.31 N#Cc1onc(c1)C(=O)O 1P01DWEH [0,1,0,0,0,0|1,1,1]=4 763 B10R1.31 N#Cc1scc(c1)B(O)O 1P01BAIB [0,1,0,0,0,0|1,0,2]=4 764 B10R1.31 N#Cc1scc(c1)C(=O)C 1P01K0ZI [0,1,0,0,0,0|1,0,1]=3 765 B10R1.31 N#Cc1scc(c1)C(=O)O 1P01AUUN [0,1,0,0,0,0|0,0,1]=2 766 B10R1.31 N#Cc1scc(c1)N(=O)=O 1P00C7BG [0,1,0,0,0,0|1,0,2]=4 767 B10R1.31 NCc1[nH]cc(n1)C(=O)O 1P01BY0F [0,1,0,0,0,0|2,0,0]=3 768 B10R1.31 NCc1ccc(o1)C(=O)N 1P019U33 [0,1,0,0,0,0|3,0,0]=4 769 B10R1.31 NCc1ccc(o1)C(=O)O 1P006FY3 [0,1,0,0,0,0|2,0,0]=3 770 B10R1.31 NCc1ccc(o1)C(=O)O 1P00J3WI [0,1,0,0,0,0|2,0,0]=3 771 B10R1.31 NCc1ccc(s1)C(=O)O 1P00817Q [0,1,0,0,0,0|2,0,0]=3 772 B10R1.31 NCc1ccc(s1)C(=O)O 1P01EM34 [0,1,0,0,0,0|2,0,0]=3 773 B10R1.31 NCc1csc(c1)C(=O)O 1P028IHK [0,1,0,0,0,0|2,0,0]=3 774 B10R1.31 NCc1ncc(o1)C(=O)O 1P0292IS [0,1,0,0,0,0|2,0,0]=3 775 B10R1.31 NCc1ncc(s1)C(=O)N 1P028KG3 [0,1,0,0,0,0|3,0,0]=4 776 B10R1.31 NCc1ncc(s1)C(=O)O 1P00II1O [0,1,0,0,0,0|2,0,0]=3 777 B10R1.31 NCc1ncc(s1)C(=O)O 1P028URD [0,1,0,0,0,0|2,0,0]=3 778 B10R1.31 NCc1occ(c1)C(=O)N 1P01ADL5 [0,1,0,0,0,0|1,1,0]=3 779 B10R1.31 NCc1occ(c1)C(=O)O 1P01AFU9 [0,1,0,0,0,0|0,1,0]=2 780 B10R1.31 NCc1occ(c1)C(=O)O 1P01EBN9 [0,1,0,0,0,0|0,1,0]=2 781 B10R1.31 NCc1occ(n1)C(=O)N 1P01C737 [0,1,0,0,0,0|2,1,0]=4 782 B10R1.31 NCc1occ(n1)C(=O)O 1P028ZPK [0,1,0,0,0,0|1,1,0]=3 783 B10R1.31 NCc1onc(c1)C(=O)N 1P00FTWG [0,1,0,0,0,0|2,1,0]=4 784 B10R1.31 NCc1onc(c1)C(=O)O 1P01A923 [0,1,0,0,0,0|1,1,0]=3 785 B10R1.31 NCc1scc(c1)C(=O)O 1P020LQG [0,1,0,0,0,0|0,0,0]=1 786 B10R1.31 NCc1scc(n1)C(=O)C 1P027VQS [0,1,0,0,0,0|2,0,0]=3 787 B10R1.31 NCc1scc(n1)C(=O)N 1P00CG3T [0,1,0,0,0,0|2,0,0]=3 788 B10R1.31 NCc1scc(n1)C(=O)O 1P01A6U7 [0,1,0,0,0,0|1,0,0]=2 789 B10R1.31 NCc1scc(n1)C(=O)O 1P01BXXR [0,1,0,0,0,0|1,0,0]=2 790 B10R1.31 O=Cc1[nH]cc(c1)C(=O)C 1P00ARNH [0,1,0,0,0,0|2,0,1]=4 791 B10R1.31 O=Cc1[nH]cc(c1)C(=O)O 1P0280Q9 [0,1,0,0,0,0|1,0,1]=3 792 B10R1.31 O=Cc1c[nH]c(c1)C(=O)O 1P00FF56 [0,1,0,0,0,0|2,0,1]=4 793 B10R1.31 O=Cc1ccc([nH]1)C(=O)O 1P005WAG [0,1,0,0,0,0|2,0,1]=4 794 B10R1.31 O=Cc1ccc(o1)C(=O)O 1P0034QN [0,1,0,0,0,0|2,0,1]=4 795 B10R1.31 O=Cc1ccc(s1)C(=O)O 1P003N8P [0,1,0,0,0,0|2,0,1]=4 796 B10R1.31 O=Cc1coc(c1)C(=O)O 1P01BKR3 [0,1,0,0,0,0|2,0,1]=4 797 B10R1.31 O=Cc1occ(c1)C(=O)O 1P00EWKP [0,1,0,0,0,0|0,1,1]=3 798 B10R1.31 O=Cc1scc(c1)B(O)O 1P0021IC [0,1,0,0,0,0|1,0,2]=4 799 B10R1.31 O=Cc1scc(c1)C(=O)N 1P019UKC [0,1,0,0,0,0|1,0,1]=3 800 B10R1.31 O=Cc1scc(c1)C(=O)O 1P00IG3F [0,1,0,0,0,0|0,0,1]=2 801 B10R1.31 O=Cc1scc(c1)[N+](=O)[O-] 1P00F1G7 [0,1,0,0,0,0|1,0,2]=4 802 B10R1.31 OC(=O)c1cn(nc1)C=C 1P006D5K [0,1,0,0,0,0|2,0,1]=4 803 B10R1.31 OCc1[nH]nc(c1)C(=O)N 1P005ERH [0,1,0,0,0,0|3,0,0]=4 804 B10R1.31 OCc1ccc(o1)C(=O)C 1P01HYLM [0,1,0,0,0,0|3,0,0]=4 805 B10R1.31 OCc1ccc(o1)C(=O)O 1P0034QZ [0,1,0,0,0,0|2,0,0]=3 806 B10R1.31 OCc1coc(c1)C(=O)O 1P005MY1 [0,1,0,0,0,0|2,0,0]=3 807 B10R1.31 OCc1csc(c1)C(=O)O 1P006XYA [0,1,0,0,0,0|2,0,0]=3 808 B10R1.31 OCc1n[nH]c(c1)C(=O)O 1P00HW83 [0,1,0,0,0,0|2,0,0]=3 809 B10R1.31 OCc1occ(c1)C(=O)O 1P002P8R [0,1,0,0,0,0|0,1,0]=2 810 B10R1.31 OCc1occ(n1)C(=O)[O-] 1P028ECS [0,1,0,0,0,0|1,1,1]=4 811 B10R1.31 OCc1onc(c1)C(=O)C 1P00H2TV [0,1,0,0,0,0|2,1,0]=4 812 B10R1.31 OCc1onc(c1)C(=O)O 1P009CGS [0,1,0,0,0,0|1,1,0]=3 813 B10R1.31 OCc1scc(c1)B(O)O 1P000TUD [0,1,0,0,0,0|1,0,1]=3 814 B10R1.31 OCc1scc(n1)C(=O)C 1P027X93 [0,1,0,0,0,0|2,0,0]=3 815 B10R1.31 OCc1scc(n1)C(=O)O 1P00BD1F [0,1,0,0,0,0|1,0,0]=2 816 B10R1.31 OCc1scc(n1)C(=O)O 1P01C2O4 [0,1,0,0,0,0|1,0,0]=2 817 B10R1.31 OCn1ccc(n1)C(=O)O 1P00H9NF [0,1,0,0,0,0|3,0,0]=4 818 B10R1.55 Cc1occ(c1)S(=O)(=O)Cl 1P0290TK [0,1,0,0,0,0|1,1,1]=4 819 B10R1.55 Cc1scc(c1)S(=O)(=O)Cl 1P01ACMS [0,1,0,0,0,0|1,0,1]=3 820 B10R1.55 Cc1scc(c1)S(=O)(=O)N 1P028CFJ [0,1,0,0,0,0|1,0,1]=3 821 B10R1.55 Cc1scc(n1)S(=O)(=O)Cl 1P01BES6 [0,1,0,0,0,0|2,0,1]=4 822 B10R1.55 Cc1scc(n1)S(=O)(=O)N 1P01BC5G [0,1,0,0,0,0|2,0,1]=4 823 B10R1.55 Clc1scc(c1)S(=O)(=O)Cl 1P01C7WW [0,1,0,0,0,0|2,0,1]=4 824 B10R1.55 Cn1ncc(c1)S(=O)(=O)O 1P01BH8Y [0,1,0,0,0,0|3,0,0]=4 825 B10R1.58 Brc1[nH]c(cc1Br)C(=O)O 1P00C967 [0,1,0,0,0,0|3,0,0]=4 826 B10R1.58 CC(=O)c1cc(c(o1)C)Br 1P027U1F [0,1,0,0,0,0|3,0,0]=4 827 B10R1.58 CC(=O)c1cc(c(s1)Br)C 1P004X2F [0,1,0,0,0,0|3,0,0]=4 828 B10R1.58 CC(=O)c1cn(c(n1)C)C 1P009O5H [0,1,0,0,0,0|3,0,0]=4 829 B10R1.58 CC(=O)c1nn(c(c1)C)C 1P01B8L1 [0,1,0,0,0,0|3,0,0]=4 830 B10R1.58 CC(=O)c1oc(c(c1)C)C 1P00FARO [0,1,0,0,0,0|3,0,0]=4 831 B10R1.58 Cc1[nH]c(cc1C)C(=O)O 1P00I99K [0,1,0,0,0,0|2,0,0]=3 832 B10R1.58 ClC(=O)c1nn(c(c1)C)C 1P00D8GR [0,1,0,0,0,0|3,0,0]=4 833 B10R1.58 ClC(=O)c1sc(c(c1)C)C 1P019ZSY [0,1,0,0,0,0|3,0,0]=4 834 B10R1.58 Clc1[nH]c(cc1Cl)C(=O)O 1P00CTS9 [0,1,0,0,0,0|3,0,0]=4 835 B10R1.58 Cn1cc(nc1Br)C(=O)O 1P01DEFR [0,1,0,0,0,0|3,0,0]=4 836 B10R1.58 Cn1nc(cc1Br)C(=O)O 1P0017EE [0,1,0,0,0,0|3,0,0]=4 837 B10R1.58 Cn1nc(cc1Cl)C(=O)O 1P000ELG [0,1,0,0,0,0|3,0,0]=4 838 B10R1.58 Cn1nc(cc1F)C(=O)O 1P01AUUK [0,1,0,0,0,0|3,0,0]=4 839 B10R1.58 Cn1nc(cc1N)C(=O)O 1P0077NP [0,1,0,0,0,0|3,0,0]=4 840 B10R1.58 Cn1nc(cc1N)C(=O)O 1P01AG71 [0,1,0,0,0,0|3,0,0]=4 841 B10R1.58 NC(=O)c1cc(c(s1)C)N 1P01A06M [0,1,0,0,0,0|3,0,0]=4 842 B10R1.58 NC(=O)c1nn(c(c1)C)C 1P00DCMK [0,1,0,0,0,0|3,0,0]=4 843 B10R1.58 OC(=O)c1cc(c([nH]1)Br)Cl 1P019UVI [0,1,0,0,0,0|3,0,0]=4 844 B10R1.58 OC(=O)c1cc(c([nH]1)Cl)Br 1P019UVJ [0,1,0,0,0,0|3,0,0]=4 845 B10R1.58 OC(=O)c1cc(c(o1)Br)C 1P01BIAR [0,1,0,0,0,0|2,0,0]=3 846 B10R1.58 OC(=O)c1cc(c(o1)C)Br 1P00VVZH [0,1,0,0,0,0|2,0,0]=3 847 B10R1.58 OC(=O)c1cc(c(s1)Br)C 1P00383X [0,1,0,0,0,0|2,0,0]=3 848 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl 1P000L0J [0,1,0,0,0,0|3,0,0]=4 849 B10R1.58 OC(=O)c1cc(c(s1)Br)F 1P01JKZZ [0,1,0,0,0,0|3,0,0]=4 850 B10R1.58 OC(=O)c1cc(c(s1)C)Br 1P002YT5 [0,1,0,0,0,0|2,0,0]=3 851 B10R1.58 OC(=O)c1cc(c(s1)Cl)Br 1P00EH1O [0,1,0,0,0,0|3,0,0]=4 852 B10R1.58 OC(=O)c1cc(c(s1)Cl)C 1P01DQRU [0,1,0,0,0,0|2,0,0]=3 853 B10R1.58 OC(=O)c1cc(c(s1)I)Br 1P02866L [0,1,0,0,0,0|3,0,0]=4 854 B10R1.58 OC(=O)c1cn(c(=O)[nH]1)C 1P007WC4 [0,1,0,0,0,0|3,0,0]=4 855 B10R1.58 OC(=O)c1cn(c(c1)Br)C 1P01DVYC [0,1,0,0,0,0|2,0,0]=3 856 B10R1.58 OC(=O)c1cn(c(c1)C)C 1P00HXKE [0,1,0,0,0,0|1,0,0]=2 857 B10R1.58 OC(=O)c1cn(c(n1)C)C 1P0284XM [0,1,0,0,0,0|2,0,0]=3 858 B10R1.58 OC(=O)c1nc(c([nH]1)Br)C 1P01EHGO [0,1,0,0,0,0|3,0,0]=4 859 B10R1.58 OC(=O)c1nc(c(s1)C)Br 1P01BGFR [0,1,0,0,0,0|3,0,0]=4 860 B10R1.58 OC(=O)c1nc(c(s1)C)O 1P00A8UK [0,1,0,0,0,0|3,0,0]=4 861 B10R1.58 OC(=O)c1nn(c(c1)C)C 1P00EA97 [0,1,0,0,0,0|2,0,0]=3 862 B10R1.58 OC(=O)c1nn(c(c1)O)C 1P00EKAC [0,1,0,0,0,0|3,0,0]=4 863 B10R1.58 OC(=O)c1oc(c(c1)Br)Br 1P0072UA [0,1,0,0,0,0|3,0,0]=4 864 B10R1.58 OC(=O)c1oc(c(c1)C)C 1P003WOV [0,1,0,0,0,0|2,0,0]=3 865 B10R1.58 OC(=O)c1on(c(=O)c1)C 1P01BDJK [0,1,0,0,0,0|3,0,0]=4 866 B10R1.58 OC(=O)c1sc(c(c1)Br)Br 1P003KY3 [0,1,0,0,0,0|3,0,0]=4 867 B10R1.58 OC(=O)c1sc(c(c1)C)C 1P003KZ4 [0,1,0,0,0,0|2,0,0]=3 868 B10R1.58 OC(=O)c1sc(c(c1)Cl)Cl 1P0034BV [0,1,0,0,0,0|3,0,0]=4 869 B10R1.58 OC(=O)c1sc(c(n1)C)C 1P008MUO [0,1,0,0,0,0|3,0,0]=4 870 B10R1.58 [O-]C(=O)c1nn(c(c1)C)C 1P01FKP3 [0,1,0,0,0,0|2,0,1]=4 871 B10R1.59 Brc1cc(c(o1)C(=O)O)C 1P00ED7Z [0,1,0,0,0,0|3,0,0]=4 872 B10R1.59 Brc1cc(c(s1)C(=O)O)Br 1P003J1Y [0,1,0,0,0,0|3,0,0]=4 873 B10R1.59 Brc1cc(c(s1)C(=O)O)C 1P00C7LV [0,1,0,0,0,0|3,0,0]=4 874 B10R1.59 Brc1cc(c(s1)C(=O)O)Cl 1P00G7I3 [0,1,0,0,0,0|3,0,0]=4 875 B10R1.59 Brc1cc(c(s1)C(=O)O)F 1P009YT0 [0,1,0,0,0,0|3,0,0]=4 876 B10R1.59 Brc1cc(c(s1)C(=O)O)I 1P01DWGE [0,1,0,0,0,0|3,0,0]=4 877 B10R1.59 Brc1nc(c(o1)C(=O)O)C 1P000AWF [0,1,0,0,0,0|3,0,0]=4 878 B10R1.59 Brc1nc(c(s1)C(=O)O)Br 1P001BXM [0,1,0,0,0,0|3,0,0]=4 879 B10R1.59 Brc1nc(c(s1)C(=O)O)C 1P003H5E [0,1,0,0,0,0|3,0,0]=4 880 B10R1.59 Brc1nc(c(s1)C(=O)O)Cl 1P001BXJ [0,1,0,0,0,0|3,0,0]=4 881 B10R1.59 Brc1oc(c(c1)C(=O)O)C 1P004SZ7 [0,1,0,0,0,0|1,1,0]=3 882 B10R1.59 Brc1oc(c(n1)C(=O)O)C 1P01XCFX [0,1,0,0,0,0|2,1,0]=4 883 B10R1.59 Brc1sc(c(c1)C(=O)C)Br 1P0036YP [0,1,0,0,0,0|2,0,0]=3 884 B10R1.59 Brc1sc(c(c1)C(=O)C)C 1P019S6Y [0,1,0,0,0,0|2,0,0]=3 885 B10R1.59 Brc1sc(c(c1)C(=O)C)Cl 1P02935N [0,1,0,0,0,0|2,0,0]=3 886 B10R1.59 Brc1sc(c(c1)C(=O)C)I 1P027WPH [0,1,0,0,0,0|2,0,0]=3 887 B10R1.59 Brc1sc(c(c1)C(=O)O)Br 1P003779 [0,1,0,0,0,0|1,0,0]=2 888 B10R1.59 Brc1sc(c(c1)C(=O)O)C 1P009KMQ [0,1,0,0,0,0|1,0,0]=2 889 B10R1.59 Brc1sc(c(c1)C(=O)O)Cl 1P002IS1 [0,1,0,0,0,0|1,0,0]=2 890 B10R1.59 Brc1sc(c(c1)C(=O)O)I 1P028TMK [0,1,0,0,0,0|1,0,0]=2 891 B10R1.59 Brc1sc(c(n1)C(=O)C)C 1P01C1OE [0,1,0,0,0,0|3,0,0]=4 892 B10R1.59 Brc1sc(c(n1)C(=O)O)Br 1P00H89L [0,1,0,0,0,0|2,0,0]=3 893 B10R1.59 Brc1sc(c(n1)C(=O)O)C 1P000J83 [0,1,0,0,0,0|2,0,0]=3 894 B10R1.59 Brc1sc(c(n1)C(=O)O)Cl 1P018N6E [0,1,0,0,0,0|2,0,0]=3 895 B10R1.59 Cc1cc(c(o1)C(=O)C)C 1P002M2X [0,1,0,0,0,0|3,0,0]=4 896 B10R1.59 Cc1cc(c(o1)C(=O)O)C 1P00C0J3 [0,1,0,0,0,0|2,0,0]=3 897 B10R1.59 Cc1cc(c(s1)C(=O)O)Br 1P00IBAO [0,1,0,0,0,0|2,0,0]=3 898 B10R1.59 Cc1cc(c(s1)C(=O)O)C 1P01BXXD [0,1,0,0,0,0|2,0,0]=3 899 B10R1.59 Cc1cc(c(s1)C(=O)O)Cl 1P002M13 [0,1,0,0,0,0|2,0,0]=3 900 B10R1.59 Cc1cc(c(s1)C)B(O)O 1P00AQLX [0,1,0,0,0,0|1,0,1]=3 901 B10R1.59 Cc1cc(c(s1)C)C(N)C 1P0081KQ [0,1,0,0,0,0|2,0,1]=4 902 B10R1.59 Cc1cc(c(s1)C)C(N)C 1P01A4LU [0,1,0,0,0,0|2,0,1]=4 903 B10R1.59 Cc1nc(c(o1)C(=O)C)C 1P002MBG [0,1,0,0,0,0|3,0,0]=4 904 B10R1.59 Cc1nc(c(o1)C(=O)Cl)C 1P005V9T [0,1,0,0,0,0|3,0,0]=4 905 B10R1.59 Cc1nc(c(o1)C(=O)N)C 1P00A8G6 [0,1,0,0,0,0|3,0,0]=4 906 B10R1.59 Cc1nc(c(o1)C(=O)O)C 1P002QXO [0,1,0,0,0,0|2,0,0]=3 907 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P0038FG [0,1,0,0,0,0|3,0,0]=4 908 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P00487J [0,1,0,0,0,0|3,0,0]=4 909 B10R1.59 Cc1nc(c(s1)C(=O)O)Br 1P0293DI [0,1,0,0,0,0|2,0,0]=3 910 B10R1.59 Cc1nc(c(s1)C(=O)O)C 1P0033GI [0,1,0,0,0,0|2,0,0]=3 911 B10R1.59 Cc1nn(c(c1)C(=O)C)C 1P0036TP [0,1,0,0,0,0|3,0,0]=4 912 B10R1.59 Cc1oc(c(c1)C(=N)N)C 1P01ADDQ [0,1,0,0,0,0|2,1,0]=4 913 B10R1.59 Cc1oc(c(c1)C(=O)C)C 1P003J9R [0,1,0,0,0,0|1,1,0]=3 914 B10R1.59 Cc1oc(c(c1)C(=O)O)Br 1P027V1N [0,1,0,0,0,0|0,1,0]=2 915 B10R1.59 Cc1oc(c(c1)C(=O)O)C 1P00EAJZ [0,1,0,0,0,0|0,1,0]=2 916 B10R1.59 Cc1oc(c(n1)C(=O)C)C 1P002MA4 [0,1,0,0,0,0|2,1,0]=4 917 B10R1.59 Cc1oc(c(n1)C(=O)O)Br 1P0074WY [0,1,0,0,0,0|1,1,0]=3 918 B10R1.59 Cc1oc(c(n1)C(=O)O)C 1P002MA3 [0,1,0,0,0,0|1,1,0]=3 919 B10R1.59 Cc1sc(c(c1)C(=O)C)C 1P003J9S [0,1,0,0,0,0|1,0,0]=2 920 B10R1.59 Cc1sc(c(c1)C(=O)N)N 1P00D9BA [0,1,0,0,0,0|1,0,0]=2 921 B10R1.59 Cc1sc(c(c1)C(=O)O)Br 1P00BKCX [0,1,0,0,0,0|0,0,0]=1 922 B10R1.59 Cc1sc(c(c1)C(=O)O)C 1P002TMG [0,1,0,0,0,0|0,0,0]=1 923 B10R1.59 Cc1sc(c(c1)C(=O)O)N 1P00C8MK [0,1,0,0,0,0|0,0,0]=1 924 B10R1.59 Cc1sc(c(c1)[N+](=O)[O-])Br 1P004XEC [0,1,0,0,0,0|1,0,1]=3 925 B10R1.59 Cc1sc(c(n1)C(=O)C)C 1P00DDGC [0,1,0,0,0,0|2,0,0]=3 926 B10R1.59 Cc1sc(c(n1)C(=O)O)Br 1P00H31P [0,1,0,0,0,0|1,0,0]=2 927 B10R1.59 Cc1sc(c(n1)C(=O)O)C 1P007T19 [0,1,0,0,0,0|1,0,0]=2 928 B10R1.59 Cc1sc(c(n1)C(=O)O)C 1P01B23X [0,1,0,0,0,0|1,0,0]=2 929 B10R1.59 Cc1sc(c(n1)C(=O)O)N 1P00D33M [0,1,0,0,0,0|1,0,0]=2 930 B10R1.59 Clc1cc(c(s1)C(=O)O)Br 1P00EM6B [0,1,0,0,0,0|3,0,0]=4 931 B10R1.59 Clc1cc(c(s1)C(=O)O)Cl 1P00OFNI [0,1,0,0,0,0|3,0,0]=4 932 B10R1.59 Clc1cc(c(s1)C(=O)O)I 1P028B72 [0,1,0,0,0,0|3,0,0]=4 933 B10R1.59 Clc1cc(c(s1)Cl)B(O)O 1P0025YR [0,1,0,0,0,0|2,0,1]=4 934 B10R1.59 Clc1nc(c(s1)C(=O)O)C 1P0076IS [0,1,0,0,0,0|3,0,0]=4 935 B10R1.59 Clc1nc(c(s1)C(=O)O)Cl 1P00EIT8 [0,1,0,0,0,0|3,0,0]=4 936 B10R1.59 Clc1sc(c(c1)C(=O)C)Br 1P0293BB [0,1,0,0,0,0|2,0,0]=3 937 B10R1.59 Clc1sc(c(c1)C(=O)C)Cl 1P003J9Q [0,1,0,0,0,0|2,0,0]=3 938 B10R1.59 Clc1sc(c(c1)C(=O)Cl)Cl 1P00EDBU [0,1,0,0,0,0|2,0,0]=3 939 B10R1.59 Clc1sc(c(c1)C(=O)O)Br 1P024IA1 [0,1,0,0,0,0|1,0,0]=2 940 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl 1P003GEJ [0,1,0,0,0,0|1,0,0]=2 941 B10R1.59 Clc1sc(c(c1)S(=O)[O-])Cl 1P00C9BE [0,1,0,0,0,0|2,0,1]=4 942 B10R1.59 Clc1sc(c(n1)C(=O)N)Cl 1P000XJE [0,1,0,0,0,0|3,0,0]=4 943 B10R1.59 Clc1sc(c(n1)C(=O)O)Br 1P00HAO0 [0,1,0,0,0,0|2,0,0]=3 944 B10R1.59 Clc1sc(c(n1)C(=O)O)C 1P000J84 [0,1,0,0,0,0|2,0,0]=3 945 B10R1.59 Clc1sc(c(n1)C(=O)O)Cl 1P000XJD [0,1,0,0,0,0|2,0,0]=3 946 B10R1.59 Clc1sc(c(n1)C(=O)O)I 1P00249X [0,1,0,0,0,0|2,0,0]=3 947 B10R1.59 Cn1cc(c(=O)[nH]1)C(=O)O 1P024HYU [0,1,0,0,0,0|2,0,0]=3 948 B10R1.59 Cn1cc(c(c1)C(=O)C)C 1P0292RL [0,1,0,0,0,0|3,0,0]=4 949 B10R1.59 Cn1cc(c(c1)C(=O)O)C 1P00CYFK [0,1,0,0,0,0|2,0,0]=3 950 B10R1.59 Cn1cc(c(n1)C(=O)O)Br 1P004VXX [0,1,0,0,0,0|3,0,0]=4 951 B10R1.59 Cn1cc(c(n1)C(=O)O)C 1P0089JZ [0,1,0,0,0,0|3,0,0]=4 952 B10R1.59 Cn1cc(c(n1)C(=O)O)C 1P01C3WH [0,1,0,0,0,0|3,0,0]=4 953 B10R1.59 Cn1cc(c(n1)C(=O)O)Cl 1P008I3R [0,1,0,0,0,0|3,0,0]=4 954 B10R1.59 Cn1cc(c(n1)C(=O)O)F 1P01JUJF [0,1,0,0,0,0|3,0,0]=4 955 B10R1.59 Cn1cc(c(n1)C(=O)O)I 1P00FB39 [0,1,0,0,0,0|3,0,0]=4 956 B10R1.59 Cn1cc(c(n1)C(=O)O)N 1P0002Z0 [0,1,0,0,0,0|3,0,0]=4 957 B10R1.59 Cn1cc(c(n1)C(=O)O)N 1P0092Z0 [0,1,0,0,0,0|3,0,0]=4 958 B10R1.59 Cn1cc(c(n1)C(=O)O)S 1P027R8K [0,1,0,0,0,0|3,0,0]=4 959 B10R1.59 Cn1cc(cc1C(=O)O)Br 1P00H10B [0,1,0,0,0,0|3,0,0]=4 960 B10R1.59 Cn1cc(cc1C(=O)O)Cl 1P00IF8G [0,1,0,0,0,0|3,0,0]=4 961 B10R1.59 Cn1cc(cc1C(=O)O)F 1P00I0A9 [0,1,0,0,0,0|3,0,0]=4 962 B10R1.59 Cn1cc(cc1C(=O)O)I 1P00IUST [0,1,0,0,0,0|3,0,0]=4 963 B10R1.59 Cn1nc(c(c1)C(=O)C)C 1P00DC1M [0,1,0,0,0,0|3,0,0]=4 964 B10R1.59 Cn1nc(c(c1)C(=O)C)C 1P00J3FC [0,1,0,0,0,0|3,0,0]=4 965 B10R1.59 Cn1nc(c(c1)C(=O)C)Cl 1P028W8D [0,1,0,0,0,0|3,0,0]=4 966 B10R1.59 Cn1nc(c(c1)C(=O)N)N 1P00H4SE [0,1,0,0,0,0|3,0,0]=4 967 B10R1.59 Cn1nc(c(c1)C(=O)O)Br 1P00VVT9 [0,1,0,0,0,0|2,0,0]=3 968 B10R1.59 Cn1nc(c(c1)C(=O)O)C 1P0036NH [0,1,0,0,0,0|2,0,0]=3 969 B10R1.59 Cn1nc(c(c1)C(=O)O)Cl 1P01A3XA [0,1,0,0,0,0|2,0,0]=3 970 B10R1.59 Cn1nc(c(c1)C(=O)O)F 1P0249CP [0,1,0,0,0,0|2,0,0]=3 971 B10R1.59 Cn1nc(c(c1)C(=O)O)I 1P01B2UM [0,1,0,0,0,0|2,0,0]=3 972 B10R1.59 Cn1nc(c(c1)C(=O)O)N 1P007ELS [0,1,0,0,0,0|2,0,0]=3 973 B10R1.59 Cn1nc(c(n1)C(=O)O)Br 1P029154 [0,1,0,0,0,0|3,0,0]=4 974 B10R1.59 Cn1nc(c(n1)C(=O)O)C 1P0292TV [0,1,0,0,0,0|3,0,0]=4 975 B10R1.59 Cn1nc(cc1C(=O)N)C 1P0012NQ [0,1,0,0,0,0|3,0,0]=4 976 B10R1.59 Cn1nc(cc1C(=O)O)Br 1P01A29Z [0,1,0,0,0,0|3,0,0]=4 977 B10R1.59 Cn1nc(cc1C(=O)O)C 1P00332N [0,1,0,0,0,0|2,0,0]=3 978 B10R1.59 Cn1nc(cc1C(=O)O)Cl 1P001ZP2 [0,1,0,0,0,0|3,0,0]=4 979 B10R1.59 Cn1nc(cc1C(=O)O)I 1P01BS5Y [0,1,0,0,0,0|3,0,0]=4 980 B10R1.59 Cn1nc(cc1C(=O)O)N 1P000IEK [0,1,0,0,0,0|3,0,0]=4 981 B10R1.59 Fc1cc(c(s1)C(=O)O)Br 1P028EC9 [0,1,0,0,0,0|3,0,0]=4 982 B10R1.59 Fc1cc(c(s1)C(=O)O)C 1P02870P [0,1,0,0,0,0|3,0,0]=4 983 B10R1.59 Fc1cc(c(s1)C(=O)O)Cl 1P028SYW [0,1,0,0,0,0|3,0,0]=4 984 B10R1.59 Ic1cc(c(s1)C(=O)O)Br 1P028B57 [0,1,0,0,0,0|3,0,0]=4 985 B10R1.59 Ic1cc(c(s1)C(=O)O)Cl 1P028BAY [0,1,0,0,0,0|3,0,0]=4 986 B10R1.59 Nc1nc(c(s1)C(=O)O)C 1P005PJW [0,1,0,0,0,0|3,0,0]=4 987 B10R1.59 Nc1nc(c(s1)C(=O)O)Cl 1P00HISK [0,1,0,0,0,0|3,0,0]=4 988 B10R1.59 Nc1sc(c(n1)C(=O)C)Br 1P028ZDX [0,1,0,0,0,0|3,0,0]=4 989 B10R1.59 Nc1sc(c(n1)C(=O)C)C 1P00C68M [0,1,0,0,0,0|3,0,0]=4 990 B10R1.59 Nc1sc(c(n1)C(=O)C)C 1P00J4KL [0,1,0,0,0,0|3,0,0]=4 991 B10R1.59 Nc1sc(c(n1)C(=O)O)Br 1P008GVP [0,1,0,0,0,0|2,0,0]=3 992 B10R1.59 Nc1sc(c(n1)C(=O)O)C 1P003GY5 [0,1,0,0,0,0|2,0,0]=3 993 B10R1.59 OC(=O)c1[nH]c(=O)[nH]c1C 1P0004D1 [0,1,0,0,0,0|3,0,0]=4 994 B10R1.59 OC(=O)c1[nH]c(cc1C)C 1P00I8YA [0,1,0,0,0,0|2,0,0]=3 995 B10R1.59 OC(=O)c1[nH]c(nc1C)N 1P00J2ND [0,1,0,0,0,0|3,0,0]=4 996 B10R1.59 OC(=O)c1cc(=O)[nH]n1C 1P00F269 [0,1,0,0,0,0|3,0,0]=4 997 B10R1.59 OC(=O)c1cc([nH]c1C)C 1P00E9HR [0,1,0,0,0,0|1,0,0]=2 998 B10R1.59 OC(=O)c1nc([nH]c1C)C 1P004UNB [0,1,0,0,0,0|2,0,0]=3 999 B10R1.59 OC(=O)c1nc([nH]c1C)C 1P01AN9I [0,1,0,0,0,0|2,0,0]=3 1000 B10R1.59 Oc1nc(c(s1)C(=O)O)C 1P004DZR [0,1,0,0,0,0|3,0,0]=4 1001 B10R1.59 Oc1sc(c(n1)C(=O)O)C 1P01C5CA [0,1,0,0,0,0|2,0,0]=3 1002 B10R1.194 CC(=O)c1c[nH]c(c1C)Br 1P00BIQY [0,1,0,0,0,0|3,0,0]=4 1003 B10R1.194 CC(=O)c1ccn(c1C)C 1P00ALUO [0,1,0,0,0,0|3,0,0]=4 1004 B10R1.194 CC(=O)c1cnn(c1C)C 1P00BRZK [0,1,0,0,0,0|3,0,0]=4 1005 B10R1.194 CC(=O)c1cnn(c1Cl)C 1P021WA5 [0,1,0,0,0,0|3,0,0]=4 1006 B10R1.194 CC(=O)c1cnn(c1F)C 1P028DLP [0,1,0,0,0,0|3,0,0]=4 1007 B10R1.194 CC(=O)c1cnn(c1N)C 1P00GMLP [0,1,0,0,0,0|3,0,0]=4 1008 B10R1.194 Cn1c(ccc1Br)C(=O)O 1P0036VU [0,1,0,0,0,0|3,0,0]=4 1009 B10R1.194 Cn1c(ccc1C)C(=O)N 1P00B3AS [0,1,0,0,0,0|3,0,0]=4 1010 B10R1.194 Cn1c(ccc1C)C(=O)O 1P008RE5 [0,1,0,0,0,0|2,0,0]=3 1011 B10R1.194 Cn1c(cnc1Br)C(=O)O 1P00GE0A [0,1,0,0,0,0|3,0,0]=4 1012 B10R1.194 Cn1c(cnc1C)C(=O)O 1P0017FG [0,1,0,0,0,0|2,0,0]=3 1013 B10R1.194 Cn1c(cnc1C)C(=O)O 1P00I0I7 [0,1,0,0,0,0|2,0,0]=3 1014 B10R1.194 Cn1c(cnc1Cl)C(=O)O 1P004MAP [0,1,0,0,0,0|3,0,0]=4 1015 B10R1.194 Cn1c(cnc1S)C(=O)O 1P00EUHJ [0,1,0,0,0,0|3,0,0]=4 1016 B10R1.194 NC(=O)c1cnn(c1N)C 1P0023VC [0,1,0,0,0,0|3,0,0]=4 1017 B10R1.194 NC(=O)c1n[nH]c(c1Br)C 1P00CN6J [0,1,0,0,0,0|3,0,0]=4 1018 B10R1.194 NC(=O)c1n[nH]c(c1N)C 1P00BU44 [0,1,0,0,0,0|3,0,0]=4 1019 B10R1.194 OC(=O)c1[nH]cc(c1C)C 1P0036QK [0,1,0,0,0,0|2,0,0]=3 1020 B10R1.194 OC(=O)c1[nH]cc(c1C)I 1P02937L [0,1,0,0,0,0|3,0,0]=4 1021 B10R1.194 OC(=O)c1[nH]cc(c1F)F 1P001SI4 [0,1,0,0,0,0|3,0,0]=4 1022 B10R1.194 OC(=O)c1[nH]nc(c1Br)Br 1P00JERY [0,1,0,0,0,0|3,0,0]=4 1023 B10R1.194 OC(=O)c1[nH]nc(c1Br)C 1P018G5U [0,1,0,0,0,0|2,0,0]=3 1024 B10R1.194 OC(=O)c1[nH]nc(c1Br)N 1P00CY8H [0,1,0,0,0,0|3,0,0]=4 1025 B10R1.194 OC(=O)c1[nH]nc(c1C)C 1P0086V1 [0,1,0,0,0,0|2,0,0]=3 1026 B10R1.194 OC(=O)c1[nH]nc(c1I)C 1P01C9S6 [0,1,0,0,0,0|2,0,0]=3 1027 B10R1.194 OC(=O)c1[nH]nc(c1N)C 1P005U1U [0,1,0,0,0,0|2,0,0]=3 1028 B10R1.194 OC(=O)c1c[nH]c(=O)n1C 1P00ADJT [0,1,0,0,0,0|3,0,0]=4 1029 B10R1.194 OC(=O)c1ccn(c1C)C 1P00IGAB [0,1,0,0,0,0|2,0,0]=3 1030 B10R1.194 OC(=O)c1cnn(c1Br)C 1P00DLR1 [0,1,0,0,0,0|2,0,0]=3 1031 B10R1.194 OC(=O)c1cnn(c1C)C 1P00C9D2 [0,1,0,0,0,0|2,0,0]=3 1032 B10R1.194 OC(=O)c1cnn(c1Cl)C 1P0036NI [0,1,0,0,0,0|2,0,0]=3 1033 B10R1.194 OC(=O)c1cnn(c1I)C 1P01AM6X [0,1,0,0,0,0|2,0,0]=3 1034 B10R1.194 OC(=O)c1cnn(c1N)C 1P003MTC [0,1,0,0,0,0|2,0,0]=3 1035 B10R1.194 OC(=O)c1cnn(c1O)C 1P01A3SG [0,1,0,0,0,0|2,0,0]=3 1036 B10R1.194 OC(=O)c1csc(c1Br)Br 1P00044J [0,1,0,0,0,0|1,0,0]=2 1037 B10R1.194 OC(=O)c1csc(c1Br)C 1P028AOO [0,1,0,0,0,0|0,0,0]=1 1038 B10R1.194 OC(=O)c1csc(c1Br)Cl 1P028O5A [0,1,0,0,0,0|1,0,0]=2 1039 B10R1.194 OC(=O)c1csc(c1Br)I 1P01BSFJ [0,1,0,0,0,0|1,0,0]=2 1040 B10R1.194 OC(=O)c1csc(c1C)Br 1P01ADGG [0,1,0,0,0,0|1,0,0]=2 1041 B10R1.194 OC(=O)c1csc(c1C)C 1P00ADIX [0,1,0,0,0,0|0,0,0]=1 1042 B10R1.194 OC(=O)c1csc(c1Cl)Br 1P01FJ2O [0,1,0,0,0,0|1,0,0]=2 1043 B10R1.194 OC(=O)c1csc(c1Cl)Cl 1P000L0I [0,1,0,0,0,0|1,0,0]=2 1044 B10R1.194 OC(=O)c1csc(c1N)C 1P00FI8P [0,1,0,0,0,0|0,0,0]=1 1045 B10R1.194 OC(=O)c1csc(c1N)C 1P01FIWP [0,1,0,0,0,0|0,0,0]=1 1046 B10R1.194 OC(=O)c1n[nH]c(c1Br)C 1P0050TL [0,1,0,0,0,0|2,0,0]=3 1047 B10R1.194 OC(=O)c1n[nH]c(c1C)Br 1P00H1I1 [0,1,0,0,0,0|3,0,0]=4 1048 B10R1.194 OC(=O)c1n[nH]c(c1Cl)C 1P00C2MU [0,1,0,0,0,0|2,0,0]=3 1049 B10R1.194 OC(=O)c1n[nH]c(c1Cl)N 1P00C8RF [0,1,0,0,0,0|3,0,0]=4 1050 B10R1.194 OC(=O)c1n[nH]c(c1F)C 1P01B1QG [0,1,0,0,0,0|2,0,0]=3 1051 B10R1.194 OC(=O)c1ncn(c1Br)C 1P027V98 [0,1,0,0,0,0|3,0,0]=4 1052 B10R1.194 OC(=O)c1ncn(c1C)C 1P005C7X [0,1,0,0,0,0|3,0,0]=4 1053 B10R1.194 OC(=O)c1ncn(c1C)C 1P027KXU [0,1,0,0,0,0|3,0,0]=4 1054 B10R1.194 OC(=O)c1ncn(c1N)C 1P01SMKX [0,1,0,0,0,0|3,0,0]=4 1055 B10R1.194 OC(=O)c1nnn(c1C)C 1P00CBII [0,1,0,0,0,0|3,0,0]=4 1056 B10R1.194 OC(=O)c1nnn(c1N)C 1P027R8O [0,1,0,0,0,0|3,0,0]=4 1057 B10R1.194 OC(=O)c1noc(c1Br)C 1P00JGLA [0,1,0,0,0,0|1,1,0]=3 1058 B10R1.194 OC(=O)c1noc(c1I)C 1P01DZIE [0,1,0,0,0,0|1,1,0]=3 1059 B10R1.194 OC(=O)c1nsc(c1Cl)Cl 1P0010EM [0,1,0,0,0,0|2,0,0]=3 1060 B10R1.194 OC(=O)c1nsc(c1N)I 1P028CYL [0,1,0,0,0,0|2,0,0]=3 1061 B10R1.194 OC(=O)c1occ(c1C)C 1P01BAI3 [0,1,0,0,0,0|2,0,0]=3 1062 B10R1.194 OC(=O)c1onc(c1C)Br 1P028CH8 [0,1,0,0,0,0|3,0,0]=4 1063 B10R1.194 OC(=O)c1onc(c1C)C 1P00JG1U [0,1,0,0,0,0|2,0,0]=3 1064 B10R1.194 OC(=O)c1scc(c1Br)Br 1P00FHE7 [0,1,0,0,0,0|3,0,0]=4 1065 B10R1.194 OC(=O)c1scc(c1Br)C 1P01AGSI [0,1,0,0,0,0|2,0,0]=3 1066 B10R1.194 OC(=O)c1scc(c1C)Br 1P002U68 [0,1,0,0,0,0|3,0,0]=4 1067 B10R1.194 OC(=O)c1scc(c1C)C 1P003WK4 [0,1,0,0,0,0|2,0,0]=3 1068 B10R1.194 OC(=O)c1scc(c1C)N 1P027VXQ [0,1,0,0,0,0|3,0,0]=4 1069 B10R1.194 OC(=O)c1scc(c1Cl)Br 1P027NBW [0,1,0,0,0,0|3,0,0]=4 1070 B10R1.194 OC(=O)c1scc(c1Cl)C 1P002M18 [0,1,0,0,0,0|2,0,0]=3 1071 B10R1.194 OC(=O)c1scc(c1Cl)Cl 1P01DWZU [0,1,0,0,0,0|3,0,0]=4 1072 B10R1.194 OC(=O)c1scc(c1F)F 1P0290KP [0,1,0,0,0,0|3,0,0]=4 1073 B10R1.194 OC(=O)c1scc(c1I)C 1P00GFOT [0,1,0,0,0,0|2,0,0]=3 1074 B10R1.194 OC(=O)c1scc(c1N)Br 1P01U8TH [0,1,0,0,0,0|3,0,0]=4 1075 B10R1.194 OC(=O)c1snc(c1Cl)Cl 1P0038O4 [0,1,0,0,0,0|3,0,0]=4 1076 B10R1.194 OC(=O)c1snc(c1Cl)O 1P01B9PX [0,1,0,0,0,0|3,0,0]=4 1077 B10R1.194 OC(=O)c1snc(c1N)C 1P00DNZY [0,1,0,0,0,0|2,0,0]=3 1078 B10R1.194 OC(=O)c1snc(c1N)C 1P01DX87 [0,1,0,0,0,0|2,0,0]=3 1079 B10R1.194 [O-]C(=O)c1scc(c1I)C 1P01B29H [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.8 CC(=CCCC)C(=O)O 1P002XFF [0,0,1,0,0,0|1,0,2]=4 1081 B8R0.9 CC(=CCC(=O)O)C=C 1P01AFO0 [0,0,1,0,0,0|1,0,1]=3 1082 B8R0.9 CC(\C=C\C(=O)O)CC 1P01HUR0 [0,0,1,0,0,0|1,0,2]=4 1083 B8R0.9 CNC(=O)\C=C/C(=O)O 1P003TOL [0,0,1,0,0,0|2,0,1]=4 1084 B8R0.9 COC(=O)\C=C/C(=O)O 1P0030VV [0,0,1,0,0,0|1,1,1]=4 1085 B8R0.9 COC(=O)\C=C\C(=O)O 1P002UJ4 [0,0,1,0,0,0|1,1,1]=4 1086 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,0,1,0,0,0|1,0,2]=4 1087 B8R0.23 CC(=O)NC(=C)C(=O)O 1P00IA5V [0,0,1,0,0,0|1,1,0]=3 1088 B8R0.23 CC(CC(=C)C(=O)O)C 1P002QQ0 [0,0,1,0,0,0|1,0,2]=4 1089 B8R0.23 CN(CC(=C)C(=O)O)C 1P00DDT5 [0,0,1,0,0,0|2,0,1]=4 1090 B8R0.23 OC(=O)CC(=C)C(=O)O 1P003RML [0,0,1,0,0,0|1,1,1]=4 1091 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P003I6D [0,0,1,0,0,0|1,1,1]=4 1092 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P01JGLL [0,0,1,0,0,0|1,1,1]=4 1093 B8R0.23 OC(=O)\C=C(\C(=O)O)/C 1P003RXR [0,0,1,0,0,0|1,1,1]=4 1094 B8R0.23 OC(=O)\C=C(\C(=O)O)/I 1P01P3QB [0,0,1,0,0,0|2,1,0]=4 1095 B8R0.28 CC(=C)CCCC(=O)O 1P00DCNZ [0,0,1,0,0,0|1,0,2]=4 1096 B8R0.28 CC(=C)COCC(=O)O 1P0002E6 [0,0,1,0,0,0|2,0,1]=4 1097 B8R0.28 CC(=C\C=C\C(=O)C)C 1P003NR1 [0,0,1,0,0,0|2,0,1]=4 1098 B8R0.28 CN(CC=CC(=O)O)C 1P003KOC [0,0,1,0,0,0|2,0,1]=4 1099 B8R0.28 CN(C\C=C\C(=O)O)C 1P001MAY [0,0,1,0,0,0|2,0,1]=4 1100 B8R0.28 CN(C\C=C\C(=O)O)C 1P0036C7 [0,0,1,0,0,0|2,0,1]=4 1101 B8R0.28 OC(=O)CC=CC(=O)O 1P003R8C [0,0,1,0,0,0|3,0,0]=4 1102 B8R0.28 OC(=O)CCSC(=O)C 1P003IMM [0,0,1,0,0,0|1,0,2]=4 1103 B8R0.28 OC(=O)C\C=C\C(=O)O 1P003R8D [0,0,1,0,0,0|3,0,0]=4 1104 B8R1.31 OC(=O)C1=C(CC1)Cl 1P028NUC [0,0,0,0,1,0|2,0,1]=4 1105 B10R1.13 Brc1ccc(cc1)S(=O)O 1P000JDB [0,0,0,0,0,1|3,0,0]=4 1106 B10R1.13 Brc1ccc(cn1)C(=O)C 1P001AJL [0,0,0,0,0,1|3,0,0]=4 1107 B10R1.13 Brc1ccc(cn1)C(=O)N 1P0089SG [0,0,0,0,0,1|3,0,0]=4 1108 B10R1.13 Brc1ccc(cn1)C(=O)O 1P003NLL [0,0,0,0,0,1|2,0,0]=3 1109 B10R1.13 Brc1ccc(nc1)C(=O)C 1P0033JA [0,0,0,0,0,1|3,0,0]=4 1110 B10R1.13 Brc1ccc(nc1)C(=O)C 1P01BH9H [0,0,0,0,0,1|3,0,0]=4 1111 B10R1.13 Brc1ccc(nc1)C(=O)Cl 1P0013CR [0,0,0,0,0,1|3,0,0]=4 1112 B10R1.13 Brc1ccc(nc1)C(=O)N 1P00GTTW [0,0,0,0,0,1|3,0,0]=4 1113 B10R1.13 Brc1ccc(nc1)C(=O)O 1P0031O7 [0,0,0,0,0,1|2,0,0]=3 1114 B10R1.13 CC(=O)c1c[nH]c(=O)cn1 1P000HQ8 [0,0,0,0,0,1|3,0,0]=4 1115 B10R1.13 CC(=O)c1ccc(cc1)Br 1P0034EQ [0,0,0,0,0,1|3,0,0]=4 1116 B10R1.13 CC(=O)c1ccc(cc1)Cl 1P0034GF [0,0,0,0,0,1|3,0,0]=4 1117 B10R1.13 CC(=O)c1ccc(cc1)F 1P0034HV [0,0,0,0,0,1|3,0,0]=4 1118 B10R1.13 CC(=O)c1ccc(cc1)I 1P00150G [0,0,0,0,0,1|3,0,0]=4 1119 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7C [0,0,0,0,0,1|3,0,0]=4 1120 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7D [0,0,0,0,0,1|3,0,0]=4 1121 B10R1.13 CC(=O)c1ccc(cc1)O 1P0034IP [0,0,0,0,0,1|3,0,0]=4 1122 B10R1.13 CC(=O)c1ccc(cc1)S 1P00CAPQ [0,0,0,0,0,1|3,0,0]=4 1123 B10R1.13 CC(=O)c1cnc(cn1)Cl 1P001S9V [0,0,0,0,0,1|3,0,0]=4 1124 B10R1.13 CC(=O)c1cnc(nc1)Cl 1P008UTP [0,0,0,0,0,1|3,0,0]=4 1125 B10R1.13 CC(=O)c1cnc(nc1)N 1P000MJ6 [0,0,0,0,0,1|3,0,0]=4 1126 B10R1.13 CC1=CCC(=CC1)C(=O)O 1P01DU9K [0,0,0,0,0,1|1,0,0]=2 1127 B10R1.13 CC1=CCC(CC1)C(=O)O 1P00DFK5 [0,0,0,0,0,1|1,0,2]=4 1128 B10R1.13 CC1=CC[C@H](CC1)C(=O)O 1P028RVY [0,0,0,0,0,1|1,0,2]=4 1129 B10R1.13 CC1CCC(=CC1)C(=O)O 1P01AF3C [0,0,0,0,0,1|1,0,2]=4 1130 B10R1.13 Cc1ccc(cc1)C(=O)C 1P0034KH [0,0,0,0,0,1|2,0,0]=3 1131 B10R1.13 Cc1ccc(cc1)C(O)C 1P003DHB [0,0,0,0,0,1|2,0,1]=4 1132 B10R1.13 Cc1ccc(cc1)S(=O)C 1P003EYO [0,0,0,0,0,1|3,0,0]=4 1133 B10R1.13 Cc1ccc(cc1)S(=O)Cl 1P008Z3I [0,0,0,0,0,1|3,0,0]=4 1134 B10R1.13 Cc1ccc(cc1)S(=O)N 1P0034KI [0,0,0,0,0,1|3,0,0]=4 1135 B10R1.13 Cc1ccc(cc1)S(=O)O 1P001REW [0,0,0,0,0,1|2,0,0]=3 1136 B10R1.13 Cc1ccc(cc1)S(=O)O 1P00IA0Y [0,0,0,0,0,1|2,0,0]=3 1137 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P001YJL [0,0,0,0,0,1|2,0,1]=4 1138 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P002JRA [0,0,0,0,0,1|2,0,1]=4 1139 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P00362L [0,0,0,0,0,1|2,0,1]=4 1140 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P003UUH [0,0,0,0,0,1|2,0,1]=4 1141 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P00FCR3 [0,0,0,0,0,1|2,0,1]=4 1142 B10R1.13 Cc1ccc(cc1)[C@@H](O)C 1P00DA1A [0,0,0,0,0,1|2,0,1]=4 1143 B10R1.13 Cc1ccc(cc1)[C@H](O)C 1P00C0M3 [0,0,0,0,0,1|2,0,1]=4 1144 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] 1P0036PU [0,0,0,0,0,1|2,0,1]=4 1145 B10R1.13 Cc1ccc(cc1)[S@@](=O)C 1P003CVR [0,0,0,0,0,1|3,0,0]=4 1146 B10R1.13 Cc1ccc(cc1)[S@@](=O)N 1P002PL9 [0,0,0,0,0,1|3,0,0]=4 1147 B10R1.13 Cc1ccc(cc1)[S@](=O)C 1P003CMM [0,0,0,0,0,1|3,0,0]=4 1148 B10R1.13 Cc1ccc(cc1)[S@](=O)N 1P002HDM [0,0,0,0,0,1|3,0,0]=4 1149 B10R1.13 Cc1ccc(cn1)B(O)O 1P003ICT [0,0,0,0,0,1|2,0,1]=4 1150 B10R1.13 Cc1ccc(cn1)B(O)O 1P00IMZ9 [0,0,0,0,0,1|2,0,1]=4 1151 B10R1.13 Cc1ccc(cn1)C(=O)C 1P007AKR [0,0,0,0,0,1|2,0,0]=3 1152 B10R1.13 Cc1ccc(cn1)C(=O)N 1P005KIX [0,0,0,0,0,1|2,0,0]=3 1153 B10R1.13 Cc1ccc(cn1)C(=O)O 1P007HIP [0,0,0,0,0,1|1,0,0]=2 1154 B10R1.13 Cc1ccc(cn1)C(=S)N 1P00APZR [0,0,0,0,0,1|2,1,0]=4 1155 B10R1.13 Cc1ccc(cn1)C(O)C 1P0001NO [0,0,0,0,0,1|2,0,1]=4 1156 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] 1P003I4H [0,0,0,0,0,1|2,0,1]=4 1157 B10R1.13 Cc1ccc(nc1)B(O)O 1P003ND4 [0,0,0,0,0,1|2,0,1]=4 1158 B10R1.13 Cc1ccc(nc1)C(=O)C 1P003GRQ [0,0,0,0,0,1|2,0,0]=3 1159 B10R1.13 Cc1ccc(nc1)C(=O)C 1P00J2IE [0,0,0,0,0,1|2,0,0]=3 1160 B10R1.13 Cc1ccc(nc1)C(=O)N 1P00C4PA [0,0,0,0,0,1|2,0,0]=3 1161 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0025QJ [0,0,0,0,0,1|1,0,0]=2 1162 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0038BJ [0,0,0,0,0,1|1,0,0]=2 1163 B10R1.13 Cc1ccc(nc1)C(O)C 1P00ICNQ [0,0,0,0,0,1|2,0,1]=4 1164 B10R1.13 Cc1ccc(nc1)S(=O)[O-] 1P01FLAT [0,0,0,0,0,1|2,0,1]=4 1165 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] 1P007EXV [0,0,0,0,0,1|2,0,1]=4 1166 B10R1.13 Cc1ccc(nn1)C(=O)C 1P00IH7X [0,0,0,0,0,1|3,0,0]=4 1167 B10R1.13 Cc1ccc(nn1)C(=O)O 1P003NRM [0,0,0,0,0,1|2,0,0]=3 1168 B10R1.13 Cc1cnc(cn1)C(=O)C 1P0038N6 [0,0,0,0,0,1|2,0,0]=3 1169 B10R1.13 Cc1cnc(cn1)C(=O)N 1P00DCKF [0,0,0,0,0,1|2,0,0]=3 1170 B10R1.13 Cc1cnc(cn1)C(=O)O 1P00IAB5 [0,0,0,0,0,1|1,0,0]=2 1171 B10R1.13 Cc1cnc(nc1)C(=O)C 1P009B33 [0,0,0,0,0,1|3,0,0]=4 1172 B10R1.13 Cc1ncc(cn1)C(=O)C 1P0017TZ [0,0,0,0,0,1|2,0,0]=3 1173 B10R1.13 ClC(=O)c1ccc(cc1)Br 1P00IAVO [0,0,0,0,0,1|3,0,0]=4 1174 B10R1.13 ClC(=O)c1ccc(cc1)C 1P003606 [0,0,0,0,0,1|2,0,0]=3 1175 B10R1.13 ClC(=O)c1ccc(cc1)F 1P003LVT [0,0,0,0,0,1|3,0,0]=4 1176 B10R1.13 ClC(=O)c1ccc(cc1)I 1P007UPD [0,0,0,0,0,1|3,0,0]=4 1177 B10R1.13 Clc1ccc(cc1)C(=O)Cl 1P003LNG [0,0,0,0,0,1|3,0,0]=4 1178 B10R1.13 Clc1ccc(cn1)C(=O)C 1P0033OV [0,0,0,0,0,1|3,0,0]=4 1179 B10R1.13 Clc1ccc(cn1)C(=O)Cl 1P00IAWT [0,0,0,0,0,1|3,0,0]=4 1180 B10R1.13 Clc1ccc(cn1)C(=O)N 1P003NNG [0,0,0,0,0,1|3,0,0]=4 1181 B10R1.13 Clc1ccc(cn1)C(=O)O 1P003NNH [0,0,0,0,0,1|2,0,0]=3 1182 B10R1.13 Clc1ccc(nc1)C(=O)C 1P006R8V [0,0,0,0,0,1|3,0,0]=4 1183 B10R1.13 Clc1ccc(nc1)C(=O)Cl 1P000Y7Z [0,0,0,0,0,1|3,0,0]=4 1184 B10R1.13 Clc1ccc(nc1)C(=O)N 1P00CB78 [0,0,0,0,0,1|3,0,0]=4 1185 B10R1.13 Clc1ccc(nc1)C(=O)O 1P003N5J [0,0,0,0,0,1|2,0,0]=3 1186 B10R1.13 Clc1cnc(cn1)C(=O)Cl 1P004C95 [0,0,0,0,0,1|3,0,0]=4 1187 B10R1.13 Clc1ncc(cn1)C(=O)Cl 1P007EI2 [0,0,0,0,0,1|3,0,0]=4 1188 B10R1.13 FC(=O)c1ccc(cc1)Br 1P005U0R [0,0,0,0,0,1|3,0,0]=4 1189 B10R1.13 FC(=O)c1ccc(cc1)I 1P0222K3 [0,0,0,0,0,1|3,0,0]=4 1190 B10R1.13 Fc1ccc(cc1)C(=O)F 1P024VDD [0,0,0,0,0,1|3,0,0]=4 1191 B10R1.13 Fc1ccc(cn1)C(=O)C 1P004Y7M [0,0,0,0,0,1|3,0,0]=4 1192 B10R1.13 Fc1ccc(cn1)C(=O)Cl 1P00EAWJ [0,0,0,0,0,1|3,0,0]=4 1193 B10R1.13 Fc1ccc(cn1)C(=O)F 1P01OHCH [0,0,0,0,0,1|3,0,0]=4 1194 B10R1.13 Fc1ccc(cn1)C(=O)N 1P00CZQN [0,0,0,0,0,1|3,0,0]=4 1195 B10R1.13 Fc1ccc(cn1)C(=O)O 1P003NOK [0,0,0,0,0,1|2,0,0]=3 1196 B10R1.13 Fc1ccc(nc1)C(=O)C 1P00GSNJ [0,0,0,0,0,1|3,0,0]=4 1197 B10R1.13 Fc1ccc(nc1)C(=O)C 1P028O6Q [0,0,0,0,0,1|3,0,0]=4 1198 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P00FI5J [0,0,0,0,0,1|3,0,0]=4 1199 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P01C0I6 [0,0,0,0,0,1|3,0,0]=4 1200 B10R1.13 Fc1ccc(nc1)C(=O)N 1P00DIFZ [0,0,0,0,0,1|3,0,0]=4 1201 B10R1.13 Fc1ccc(nc1)C(=O)O 1P0034QI [0,0,0,0,0,1|2,0,0]=3 1202 B10R1.13 Fc1ccc(nc1)C(=O)O 1P01A6GL [0,0,0,0,0,1|2,0,0]=3 1203 B10R1.13 Ic1ccc(cn1)C(=O)O 1P000V2T [0,0,0,0,0,1|2,0,0]=3 1204 B10R1.13 Ic1ccc(nc1)C(=O)O 1P00C9PY [0,0,0,0,0,1|2,0,0]=3 1205 B10R1.13 NC(=N)c1ccc(cc1)C 1P00IBNC [0,0,0,0,0,1|3,0,0]=4 1206 B10R1.13 NC(=O)c1c[nH]c(=O)cn1 1P00AK1F [0,0,0,0,0,1|3,0,0]=4 1207 B10R1.13 NC(=O)c1ccc(cc1)Br 1P00FARZ [0,0,0,0,0,1|3,0,0]=4 1208 B10R1.13 NC(=O)c1ccc(cc1)C 1P003UHI [0,0,0,0,0,1|2,0,0]=3 1209 B10R1.13 NC(=O)c1ccc(cc1)Cl 1P00IBEI [0,0,0,0,0,1|3,0,0]=4 1210 B10R1.13 NC(=O)c1ccc(cc1)F 1P003LVJ [0,0,0,0,0,1|3,0,0]=4 1211 B10R1.13 NC(=O)c1ccc(cc1)I 1P003M19 [0,0,0,0,0,1|3,0,0]=4 1212 B10R1.13 NC(=O)c1ccc(cc1)O 1P0018KP [0,0,0,0,0,1|3,0,0]=4 1213 B10R1.13 NC(=O)c1ccc(cc1)O 1P003LZM [0,0,0,0,0,1|3,0,0]=4 1214 B10R1.13 NC(=O)c1ccc(cc1)S 1P01DWZC [0,0,0,0,0,1|3,0,0]=4 1215 B10R1.13 NC(=O)c1cnc(=O)[nH]c1 1P00HHP1 [0,0,0,0,0,1|3,0,0]=4 1216 B10R1.13 NC(=O)c1cnc(cn1)Br 1P00CL5K [0,0,0,0,0,1|3,0,0]=4 1217 B10R1.13 NC(=O)c1cnc(cn1)Cl 1P007RCN [0,0,0,0,0,1|3,0,0]=4 1218 B10R1.13 NC(=O)c1cnc(nc1)Cl 1P00GMIS [0,0,0,0,0,1|3,0,0]=4 1219 B10R1.13 NC(=S)c1ccc(cc1)C 1P002OEQ [0,0,0,0,0,1|2,1,0]=4 1220 B10R1.13 NC1=NN=C(CS1)C(=O)O 1P008U8F [0,0,0,0,0,1|2,0,1]=4 1221 B10R1.13 Nc1ccc(cc1)C(=O)N 1P003L7G [0,0,0,0,0,1|3,0,0]=4 1222 B10R1.13 Nc1ccc(cn1)C(=O)C 1P002BVW [0,0,0,0,0,1|3,0,0]=4 1223 B10R1.13 Nc1ccc(cn1)C(=O)N 1P003NJJ [0,0,0,0,0,1|3,0,0]=4 1224 B10R1.13 Nc1ccc(cn1)C(=O)O 1P003NJP [0,0,0,0,0,1|2,0,0]=3 1225 B10R1.13 Nc1ccc(nc1)C(=O)C 1P00DIDZ [0,0,0,0,0,1|3,0,0]=4 1226 B10R1.13 Nc1ccc(nc1)C(=O)N 1P001L6V [0,0,0,0,0,1|3,0,0]=4 1227 B10R1.13 Nc1ccc(nc1)C(=O)O 1P0034NI [0,0,0,0,0,1|2,0,0]=3 1228 B10R1.13 Nc1ccc(nc1)C(=O)O 1P005NVH [0,0,0,0,0,1|2,0,0]=3 1229 B10R1.13 Nc1ccc(nn1)C(=O)O 1P003NJO [0,0,0,0,0,1|3,0,0]=4 1230 B10R1.13 Nc1cnc(cn1)C(=O)N 1P0040AP [0,0,0,0,0,1|3,0,0]=4 1231 B10R1.13 Nc1cnc(cn1)C(=O)O 1P003MV9 [0,0,0,0,0,1|2,0,0]=3 1232 B10R1.13 Nc1ncc(nn1)C(=O)O 1P01ELUV [0,0,0,0,0,1|3,0,0]=4 1233 B10R1.13 O=C1CC=C(N=N1)C(=O)O 1P00IJD3 [0,0,0,0,0,1|3,0,0]=4 1234 B10R1.13 O=[S-](=O)c1ccc(cc1)C 1P00E5RU [0,0,0,0,0,1|2,0,1]=4 1235 B10R1.13 O=c1ccc(co1)C(=O)O 1P006X98 [0,0,0,0,0,1|1,1,0]=3 1236 B10R1.13 OB(c1ccc(cc1)C)O 1P0034M9 [0,0,0,0,0,1|2,0,1]=4 1237 B10R1.13 OB(c1cnc(nc1)C)O 1P0038I9 [0,0,0,0,0,1|2,0,1]=4 1238 B10R1.13 OC(=O)c1c[nH]c(=O)cn1 1P005PT2 [0,0,0,0,0,1|2,0,0]=3 1239 B10R1.13 OC(=O)c1cc[n+](cc1)[O-] 1P003UJ9 [0,0,0,0,0,1|3,0,0]=4 1240 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 1P003NPH [0,0,0,0,0,1|2,0,0]=3 1241 B10R1.13 OC(=O)c1ccc(=S)[nH]c1 1P0024ZV [0,0,0,0,0,1|2,0,0]=3 1242 B10R1.13 OC(=O)c1ccc(cc1)Br 1P0034ET [0,0,0,0,0,1|2,0,0]=3 1243 B10R1.13 OC(=O)c1ccc(cc1)C 1P003MJ8 [0,0,0,0,0,1|1,0,0]=2 1244 B10R1.13 OC(=O)c1ccc(cc1)Cl 1P003LNA [0,0,0,0,0,1|2,0,0]=3 1245 B10R1.13 OC(=O)c1ccc(cc1)F 1P0034I1 [0,0,0,0,0,1|2,0,0]=3 1246 B10R1.13 OC(=O)c1ccc(cc1)I 1P003M1C [0,0,0,0,0,1|2,0,0]=3 1247 B10R1.13 OC(=O)c1ccc(cc1)N 1P0034D8 [0,0,0,0,0,1|2,0,0]=3 1248 B10R1.13 OC(=O)c1ccc(cc1)N 1P00BC4F [0,0,0,0,0,1|2,0,0]=3 1249 B10R1.13 OC(=O)c1ccc(cc1)S 1P0034JT [0,0,0,0,0,1|2,0,0]=3 1250 B10R1.13 OC(=O)c1ccc(nn1)Br 1P00EGCW [0,0,0,0,0,1|3,0,0]=4 1251 B10R1.13 OC(=O)c1ccc(nn1)Cl 1P0034TJ [0,0,0,0,0,1|3,0,0]=4 1252 B10R1.13 OC(=O)c1cnc(cn1)Br 1P004M79 [0,0,0,0,0,1|2,0,0]=3 1253 B10R1.13 OC(=O)c1cnc(cn1)Cl 1P003N5F [0,0,0,0,0,1|2,0,0]=3 1254 B10R1.13 OC(=O)c1cnc(cn1)S 1P028V4X [0,0,0,0,0,1|2,0,0]=3 1255 B10R1.13 OC(=O)c1cnc(nc1)Br 1P00HH7H [0,0,0,0,0,1|2,0,0]=3 1256 B10R1.13 OC(=O)c1cnc(nc1)C 1P003I72 [0,0,0,0,0,1|1,0,0]=2 1257 B10R1.13 OC(=O)c1cnc(nc1)Cl 1P00BZDR [0,0,0,0,0,1|2,0,0]=3 1258 B10R1.13 OC(=O)c1cnc(nc1)N 1P0033L5 [0,0,0,0,0,1|2,0,0]=3 1259 B10R1.13 OC(=O)c1cnc(nc1)S 1P028GK8 [0,0,0,0,0,1|2,0,0]=3 1260 B10R1.13 OC(=O)c1ncc(cn1)Br 1P003N1M [0,0,0,0,0,1|3,0,0]=4 1261 B10R1.13 OC(=O)c1ncc(cn1)C 1P006OOY [0,0,0,0,0,1|2,0,0]=3 1262 B10R1.13 OC(=O)c1ncc(cn1)Cl 1P007B7F [0,0,0,0,0,1|3,0,0]=4 1263 B10R1.13 OC(=O)c1ncc(cn1)F 1P000PR7 [0,0,0,0,0,1|3,0,0]=4 1264 B10R1.13 OC(=O)c1ncc(cn1)N 1P00EFVX [0,0,0,0,0,1|3,0,0]=4 1265 B10R1.13 Oc1ccc(cc1)C(=O)O 1P0034IR [0,0,0,0,0,1|2,0,0]=3 1266 B10R1.13 Oc1ccc(cn1)C(=O)C 1P008ZI1 [0,0,0,0,0,1|3,0,0]=4 1267 B10R1.13 Oc1ccc(cn1)C(=O)N 1P00C74F [0,0,0,0,0,1|3,0,0]=4 1268 B10R1.13 Oc1ccc(nc1)C(=O)C 1P00FGUG [0,0,0,0,0,1|3,0,0]=4 1269 B10R1.13 Oc1ccc(nc1)C(=O)N 1P003WOP [0,0,0,0,0,1|3,0,0]=4 1270 B10R1.13 Oc1ccc(nc1)C(=O)O 1P000PO9 [0,0,0,0,0,1|2,0,0]=3 1271 B10R1.13 Oc1ccc(nc1)C(=O)O 1P001N9V [0,0,0,0,0,1|2,0,0]=3 1272 B10R1.13 Oc1ccc(nc1)C(=O)O 1P01DLAX [0,0,0,0,0,1|2,0,0]=3 1273 B10R1.13 Oc1ccc(nn1)C(=O)O 1P003NP6 [0,0,0,0,0,1|3,0,0]=4 1274 B10R1.13 Oc1ccc(nn1)C(=O)O 1P003NP7 [0,0,0,0,0,1|3,0,0]=4 1275 B10R1.13 Oc1ccc(nn1)C(=O)O 1P01D9LI [0,0,0,0,0,1|3,0,0]=4 1276 B10R1.13 Oc1cnc(cn1)C(=O)O 1P00BZZO [0,0,0,0,0,1|2,0,0]=3 1277 B10R1.13 Oc1ncc(cn1)C(=O)O 1P00BYY1 [0,0,0,0,0,1|2,0,0]=3 1278 B10R1.13 Sc1ccc(cn1)C(=O)O 1P003NPT [0,0,0,0,0,1|2,0,0]=3 1279 B10R1.13 Sc1ccc(nc1)C(=O)O 1P028GIB [0,0,0,0,0,1|2,0,0]=3 1280 B10R1.13 [O-]C(=O)c1ccc(cc1)F 1P00DA0O [0,0,0,0,0,1|2,0,1]=4 1281 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P00189I [0,0,0,0,0,1|2,0,1]=4 1282 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P001LZJ [0,0,0,0,0,1|2,0,1]=4 1283 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P003L7N [0,0,0,0,0,1|2,0,1]=4 1284 B10R1.13 [O-]C(=O)c1ccc(cc1)O 1P000AQV [0,0,0,0,0,1|2,0,1]=4 1285 B10R1.13 [O-]C(=O)c1ncc(cn1)C 1P0293V8 [0,0,0,0,0,1|2,0,1]=4 1286 B10R1.54 CC(=O)Cc1cnn(c1)C 1P01A4IN [0,0,0,0,0,1|3,0,0]=4 1287 B10R1.54 CC(=O)Cc1cnn(c1)C 1P0289DU [0,0,0,0,0,1|3,0,0]=4 1288 B10R1.54 CC(=O)Nc1n[nH]c(c1)C 1P0056GK [0,0,0,0,0,1|3,0,0]=4 1289 B10R1.54 CC(Cc1csc(n1)C)O 1P01C7KR [0,0,0,0,0,1|2,0,1]=4 1290 B10R1.54 Cc1c[nH]c(n1)CC(=O)O 1P0280S4 [0,0,0,0,0,1|3,0,0]=4 1291 B10R1.54 Cc1cc(n[nH]1)CC(=O)O 1P00JATC [0,0,0,0,0,1|2,0,0]=3 1292 B10R1.54 Cc1cc(no1)CC(=O)O 1P00IAQ3 [0,0,0,0,0,1|1,1,0]=3 1293 B10R1.54 Cc1cc(no1)NC(=O)N 1P019LEQ [0,0,0,0,0,1|2,1,0]=4 1294 B10R1.54 Cc1cc(on1)CC(=O)O 1P0036FD [0,0,0,0,0,1|2,0,0]=3 1295 B10R1.54 Cc1cc(sc1)CC(=O)O 1P01DVCZ [0,0,0,0,0,1|2,0,0]=3 1296 B10R1.54 Cc1cc(sn1)CC(=O)O 1P01B7A7 [0,0,0,0,0,1|2,0,0]=3 1297 B10R1.54 Cc1ccc(o1)CC(=O)O 1P00VUZG [0,0,0,0,0,1|2,0,0]=3 1298 B10R1.54 Cc1ccc(s1)CC(=O)O 1P00FHIB [0,0,0,0,0,1|2,0,0]=3 1299 B10R1.54 Cc1ccn(n1)CC(=O)O 1P0022R5 [0,0,0,0,0,1|3,0,0]=4 1300 B10R1.54 Cc1ccn(n1)CC(=O)O 1P01ANRT [0,0,0,0,0,1|3,0,0]=4 1301 B10R1.54 Cc1cn(nc1)CC(=O)O 1P00IJQL [0,0,0,0,0,1|3,0,0]=4 1302 B10R1.54 Cc1cn(nc1)CC(=O)O 1P00J2AV [0,0,0,0,0,1|3,0,0]=4 1303 B10R1.54 Cc1cnc(o1)CC(=O)O 1P01C0YK [0,0,0,0,0,1|3,0,0]=4 1304 B10R1.54 Cc1nc(c[nH]1)CC(=O)O 1P028O2E [0,0,0,0,0,1|2,0,0]=3 1305 B10R1.54 Cc1nc(co1)CC(=O)O 1P00JBBQ [0,0,0,0,0,1|1,1,0]=3 1306 B10R1.54 Cc1nc(cs1)CC(=O)N 1P007TF5 [0,0,0,0,0,1|2,0,0]=3 1307 B10R1.54 Cc1nc(cs1)CC(=O)O 1P001882 [0,0,0,0,0,1|1,0,0]=2 1308 B10R1.54 Cc1nc(cs1)CC(=S)N 1P019MRX [0,0,0,0,0,1|2,1,0]=4 1309 B10R1.54 Cc1nc(on1)CC(=O)O 1P00DLSV [0,0,0,0,0,1|3,0,0]=4 1310 B10R1.54 Cc1ncc(o1)CC(=O)O 1P01BWBU [0,0,0,0,0,1|2,0,0]=3 1311 B10R1.54 Cc1ncc(s1)CC(=O)O 1P00DBQN [0,0,0,0,0,1|2,0,0]=3 1312 B10R1.54 Cc1nnc([nH]1)CC(=O)O 1P005DRC [0,0,0,0,0,1|3,0,0]=4 1313 B10R1.54 Cc1nnc(o1)CC(=O)O 1P00H3LF [0,0,0,0,0,1|3,0,0]=4 1314 B10R1.54 Cn1cc(nc1)CC(=O)O 1P002SXO [0,0,0,0,0,1|3,0,0]=4 1315 B10R1.54 Cn1cc(nc1)CC(=O)O 1P0038FZ [0,0,0,0,0,1|3,0,0]=4 1316 B10R1.54 Cn1cc(nn1)CC(=O)O 1P01DQSO [0,0,0,0,0,1|3,0,0]=4 1317 B10R1.54 Cn1cc(nn1)CC(=O)O 1P01EKLQ [0,0,0,0,0,1|3,0,0]=4 1318 B10R1.54 Cn1ccc(n1)CC(=O)O 1P003AWT [0,0,0,0,0,1|3,0,0]=4 1319 B10R1.54 Cn1ccc(n1)CC(=O)O 1P01C4SJ [0,0,0,0,0,1|3,0,0]=4 1320 B10R1.54 NC(=O)Cc1csc(n1)N 1P00BDWS [0,0,0,0,0,1|3,0,0]=4 1321 B10R1.54 Nc1cc(n[nH]1)CC(=O)O 1P0020HG [0,0,0,0,0,1|3,0,0]=4 1322 B10R1.54 Nc1nc(cs1)CC(=O)O 1P002ZIQ [0,0,0,0,0,1|2,0,0]=3 1323 B10R1.54 Nc1nc(cs1)CC(=O)O 1P00IC2Z [0,0,0,0,0,1|2,0,0]=3 1324 B10R1.54 Nc1ncc(s1)CC(=O)O 1P006UD8 [0,0,0,0,0,1|3,0,0]=4 1325 B10R1.54 OC(=O)Cc1cc(cs1)Br 1P001T02 [0,0,0,0,0,1|3,0,0]=4 1326 B10R1.54 OC(=O)Cc1cc(cs1)Cl 1P01EKNJ [0,0,0,0,0,1|3,0,0]=4 1327 B10R1.54 OC(=O)Cc1ccc(s1)Br 1P00FI4L [0,0,0,0,0,1|3,0,0]=4 1328 B10R1.54 OC(=O)Cc1ccc(s1)Cl 1P00HV58 [0,0,0,0,0,1|3,0,0]=4 1329 B10R1.54 OC(=O)Cc1ccn(c1)C 1P00J3XI [0,0,0,0,0,1|2,0,0]=3 1330 B10R1.54 OC(=O)Cc1cnn(c1)C 1P000GZF [0,0,0,0,0,1|2,0,0]=3 1331 B10R1.54 OC(=O)Cc1csc(c1)Br 1P01BU1U [0,0,0,0,0,1|1,0,0]=2 1332 B10R1.54 OC(=O)Cc1csc(c1)C 1P01BC1B [0,0,0,0,0,1|0,0,0]=1 1333 B10R1.54 OC(=O)Cc1csc(c1)Cl 1P00BHTH [0,0,0,0,0,1|1,0,0]=2 1334 B10R1.54 OC(=O)Cc1csc(n1)Br 1P00EKF8 [0,0,0,0,0,1|2,0,0]=3 1335 B10R1.54 OC(=O)Cc1csc(n1)Cl 1P002ZIP [0,0,0,0,0,1|2,0,0]=3 1336 B10R1.54 OC(=O)Cc1csc(n1)S 1P00D34V [0,0,0,0,0,1|2,0,0]=3 1337 B10R1.54 OC(=O)Cc1noc(n1)C 1P00E5FJ [0,0,0,0,0,1|2,1,0]=4 1338 B10R1.54 OC(=O)Cn1cnc(c1)Br 1P01BKUG [0,0,0,0,0,1|3,0,0]=4 1339 B10R1.54 [O-]C(=O)Cc1cc(co1)C 1P028P44 [0,0,0,0,0,1|2,0,1]=4 1340 B10R1.54 [O-]C(=O)Cc1csc(n1)C 1P019PBU [0,0,0,0,0,1|1,0,1]=3 1341 B10R1.113 Brc1cccc(c1)C(=O)C 1P00343B [0,0,0,0,0,1|3,0,0]=4 1342 B10R1.113 Brc1cccc(c1)C(=O)Cl 1P003JKS [0,0,0,0,0,1|3,0,0]=4 1343 B10R1.113 Brc1cccc(c1)C(=O)N 1P003JKP [0,0,0,0,0,1|3,0,0]=4 1344 B10R1.113 Brc1cccc(c1)C(=O)O 1P00343E [0,0,0,0,0,1|2,0,0]=3 1345 B10R1.113 Brc1cccc(n1)C(=O)O 1P003NLN [0,0,0,0,0,1|3,0,0]=4 1346 B10R1.113 Brc1nccc(c1)C(=O)C 1P008GLR [0,0,0,0,0,1|3,0,0]=4 1347 B10R1.113 Brc1nccc(c1)C(=O)N 1P0037VO [0,0,0,0,0,1|3,0,0]=4 1348 B10R1.113 Brc1nccc(c1)C(=O)O 1P003H8P [0,0,0,0,0,1|2,0,0]=3 1349 B10R1.113 Brc1nccc(n1)C(=O)O 1P00HGE4 [0,0,0,0,0,1|3,0,0]=4 1350 B10R1.113 CC(=O)c1cc(Br)ccn1 1P008X5S [0,0,0,0,0,1|3,0,0]=4 1351 B10R1.113 CC(=O)c1cc(Br)cnc1 1P003JA1 [0,0,0,0,0,1|3,0,0]=4 1352 B10R1.113 CC(=O)c1cc(Cl)ccn1 1P00EAZB [0,0,0,0,0,1|3,0,0]=4 1353 B10R1.113 CC(=O)c1cc(Cl)cnc1 1P0096YV [0,0,0,0,0,1|3,0,0]=4 1354 B10R1.113 CC(=O)c1cc(Cl)ncn1 1P00I4HG [0,0,0,0,0,1|3,0,0]=4 1355 B10R1.113 CC(=O)c1cc(F)cnc1 1P007HHH [0,0,0,0,0,1|3,0,0]=4 1356 B10R1.113 CC(=O)c1cc(N)ccn1 1P01FPBD [0,0,0,0,0,1|3,0,0]=4 1357 B10R1.113 CC(=O)c1cc(O)cnc1 1P00H2TX [0,0,0,0,0,1|3,0,0]=4 1358 B10R1.113 CC(=O)c1cc[nH]c(=O)c1 1P0087BW [0,0,0,0,0,1|3,0,0]=4 1359 B10R1.113 CN1C=C(CC=C1)C(=O)N 1P0025UB [0,0,0,0,0,1|3,0,0]=4 1360 B10R1.113 CN1CC(=CCC1)C(=O)O 1P0034XU [0,0,0,0,0,1|2,0,1]=4 1361 B10R1.113 CN1CC(=CCC1)C(=O)O 1P006YCJ [0,0,0,0,0,1|2,0,1]=4 1362 B10R1.113 C[n+]1cc(ncc1)C(=O)O 1P01F00X [0,0,0,0,0,1|2,0,0]=3 1363 B10R1.113 C[n+]1cccc(c1)C(=O)N 1P0002MF [0,0,0,0,0,1|3,0,0]=4 1364 B10R1.113 C[n+]1cccc(c1)C(=O)O 1P003VJ9 [0,0,0,0,0,1|2,0,0]=3 1365 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] 1P003A9A [0,0,0,0,0,1|2,0,1]=4 1366 B10R1.113 Cc1cc(cnc1)C(=O)N 1P003ND0 [0,0,0,0,0,1|2,0,0]=3 1367 B10R1.113 Cc1cc(cnc1)C(=O)O 1P003ND1 [0,0,0,0,0,1|1,0,0]=2 1368 B10R1.113 Cc1cc(cnn1)C(=O)O 1P00HCMQ [0,0,0,0,0,1|1,0,0]=2 1369 B10R1.113 Cc1cc(cnn1)C(=O)O 1P01AGKY [0,0,0,0,0,1|1,0,0]=2 1370 B10R1.113 Cc1cc(ncc1)C(=N)N 1P0090EF [0,0,0,0,0,1|3,0,0]=4 1371 B10R1.113 Cc1cc(ncc1)C(=O)O 1P0036FE [0,0,0,0,0,1|1,0,0]=2 1372 B10R1.113 Cc1cc(ncn1)C(=O)O 1P0019VD [0,0,0,0,0,1|1,0,0]=2 1373 B10R1.113 Cc1cc(ncn1)C(=O)O 1P0293TC [0,0,0,0,0,1|1,0,0]=2 1374 B10R1.113 Cc1cccc(c1)B(O)O 1P0027EH [0,0,0,0,0,1|2,0,1]=4 1375 B10R1.113 Cc1cccc(c1)C(=C)C 1P003RUW [0,0,0,0,0,1|3,0,0]=4 1376 B10R1.113 Cc1cccc(c1)C(=N)N 1P002J5B [0,0,0,0,0,1|3,0,0]=4 1377 B10R1.113 Cc1cccc(c1)C(=N)N 1P0075JC [0,0,0,0,0,1|3,0,0]=4 1378 B10R1.113 Cc1cccc(c1)C(=O)C 1P00IAUW [0,0,0,0,0,1|2,0,0]=3 1379 B10R1.113 Cc1cccc(c1)C(=O)Cl 1P003SN4 [0,0,0,0,0,1|2,0,0]=3 1380 B10R1.113 Cc1cccc(c1)C(=O)N 1P003K78 [0,0,0,0,0,1|2,0,0]=3 1381 B10R1.113 Cc1cccc(c1)C(=O)O 1P003SN2 [0,0,0,0,0,1|1,0,0]=2 1382 B10R1.113 Cc1cccc(c1)C(=S)N 1P002OEP [0,0,0,0,0,1|2,1,0]=4 1383 B10R1.113 Cc1cccc(c1)C(O)C 1P00FJ2F [0,0,0,0,0,1|2,0,1]=4 1384 B10R1.113 Cc1cccc(c1)S(=O)C 1P000ZR8 [0,0,0,0,0,1|3,0,0]=4 1385 B10R1.113 Cc1cccc(c1)S(=O)[O-] 1P00ASY9 [0,0,0,0,0,1|2,0,1]=4 1386 B10R1.113 Cc1cccc(c1)[C@@H](O)C 1P00DKFI [0,0,0,0,0,1|2,0,1]=4 1387 B10R1.113 Cc1cccc(c1)[C@H](O)C 1P00CLM5 [0,0,0,0,0,1|2,0,1]=4 1388 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 1P003A3U [0,0,0,0,0,1|2,0,1]=4 1389 B10R1.113 Cc1cccc(n1)C(=O)C 1P003GRV [0,0,0,0,0,1|3,0,0]=4 1390 B10R1.113 Cc1cccc(n1)C(=O)Cl 1P00F4ND [0,0,0,0,0,1|3,0,0]=4 1391 B10R1.113 Cc1cccc(n1)C(=O)N 1P00EMDK [0,0,0,0,0,1|3,0,0]=4 1392 B10R1.113 Cc1cccc(n1)C(=O)O 1P0034U5 [0,0,0,0,0,1|2,0,0]=3 1393 B10R1.113 Cc1ccnc(c1)C(=O)C 1P003GRN [0,0,0,0,0,1|2,0,0]=3 1394 B10R1.113 Cc1ccnc(n1)C(=O)N 1P0014O1 [0,0,0,0,0,1|3,0,0]=4 1395 B10R1.113 Cc1ccnc(n1)C(=O)O 1P00379X [0,0,0,0,0,1|2,0,0]=3 1396 B10R1.113 Cc1ccnc(n1)C(=O)O 1P01BGUE [0,0,0,0,0,1|2,0,0]=3 1397 B10R1.113 Cc1cncc(c1)C(=O)C 1P00CAT8 [0,0,0,0,0,1|2,0,0]=3 1398 B10R1.113 Cc1cncc(n1)C(=O)N 1P00DGIS [0,0,0,0,0,1|3,0,0]=4 1399 B10R1.113 Cc1cncc(n1)C(=O)O 1P0036OU [0,0,0,0,0,1|2,0,0]=3 1400 B10R1.113 Cc1cnnc(c1)C(=O)O 1P00HGFO [0,0,0,0,0,1|2,0,0]=3 1401 B10R1.113 Cc1cnnc(c1)C(=O)[O-] 1P01B65Q [0,0,0,0,0,1|2,0,1]=4 1402 B10R1.113 Cc1nccc(c1)B(O)O 1P0037HU [0,0,0,0,0,1|2,0,1]=4 1403 B10R1.113 Cc1nccc(c1)B(O)O 1P004KMO [0,0,0,0,0,1|2,0,1]=4 1404 B10R1.113 Cc1nccc(c1)C(=C)C 1P0019VT [0,0,0,0,0,1|3,0,0]=4 1405 B10R1.113 Cc1nccc(c1)C(=O)C 1P00BDBG [0,0,0,0,0,1|2,0,0]=3 1406 B10R1.113 Cc1nccc(c1)C(=O)N 1P00AKYZ [0,0,0,0,0,1|2,0,0]=3 1407 B10R1.113 Cc1nccc(c1)C(=O)O 1P0033UX [0,0,0,0,0,1|1,0,0]=2 1408 B10R1.113 Cc1nccc(c1)C(=S)N 1P00C9NL [0,0,0,0,0,1|2,1,0]=4 1409 B10R1.113 Cc1nccc(c1)[C@@H](O)C 1P0288JA [0,0,0,0,0,1|2,0,1]=4 1410 B10R1.113 Cc1nccc(c1)[C@H](O)C 1P028FDW [0,0,0,0,0,1|2,0,1]=4 1411 B10R1.113 Cc1nccc(c1)[N+](=O)[O-] 1P007M04 [0,0,0,0,0,1|2,0,1]=4 1412 B10R1.113 Cc1nccc(n1)C(=O)C 1P00FAON [0,0,0,0,0,1|3,0,0]=4 1413 B10R1.113 Cc1nccc(n1)C(=O)N 1P00GS4I [0,0,0,0,0,1|3,0,0]=4 1414 B10R1.113 Cc1nccc(n1)C(=O)O 1P007N4X [0,0,0,0,0,1|2,0,0]=3 1415 B10R1.113 Cc1ncnc(c1)C(=O)C 1P006MMZ [0,0,0,0,0,1|2,0,0]=3 1416 B10R1.113 ClC(=O)c1cc(Br)cnc1 1P003N1C [0,0,0,0,0,1|3,0,0]=4 1417 B10R1.113 Clc1cccc(c1)C(=O)Cl 1P00F3HP [0,0,0,0,0,1|3,0,0]=4 1418 B10R1.113 Clc1cccc(c1)C(=O)N 1P00E9KT [0,0,0,0,0,1|3,0,0]=4 1419 B10R1.113 Clc1cccc(c1)C(=O)O 1P003JR5 [0,0,0,0,0,1|2,0,0]=3 1420 B10R1.113 Clc1cccc(n1)C(=O)O 1P00I91Z [0,0,0,0,0,1|3,0,0]=4 1421 B10R1.113 Clc1ccnc(c1)C(=O)Cl 1P00DEPJ [0,0,0,0,0,1|3,0,0]=4 1422 B10R1.113 Clc1cncc(c1)C(=O)Cl 1P004PP2 [0,0,0,0,0,1|3,0,0]=4 1423 B10R1.113 Clc1cnnc(c1)C(=O)O 1P00A0QP [0,0,0,0,0,1|3,0,0]=4 1424 B10R1.113 Clc1nccc(c1)C(=O)C 1P003HDL [0,0,0,0,0,1|3,0,0]=4 1425 B10R1.113 Clc1nccc(c1)C(=O)Cl 1P003HJ8 [0,0,0,0,0,1|3,0,0]=4 1426 B10R1.113 Clc1nccc(c1)C(=O)N 1P0003HM [0,0,0,0,0,1|3,0,0]=4 1427 B10R1.113 Clc1nccc(c1)C(=O)O 1P003HAQ [0,0,0,0,0,1|2,0,0]=3 1428 B10R1.113 Clc1nccc(n1)C(=O)O 1P001MIA [0,0,0,0,0,1|3,0,0]=4 1429 B10R1.113 Clc1ncnc(c1)C(=O)Cl 1P002T7Q [0,0,0,0,0,1|3,0,0]=4 1430 B10R1.113 Fc1cccc(c1)C(=O)C 1P003JXP [0,0,0,0,0,1|3,0,0]=4 1431 B10R1.113 Fc1cccc(c1)C(=O)Cl 1P00HZZM [0,0,0,0,0,1|3,0,0]=4 1432 B10R1.113 Fc1cccc(c1)C(=O)F 1P028ERF [0,0,0,0,0,1|3,0,0]=4 1433 B10R1.113 Fc1cccc(c1)C(=O)N 1P00DES0 [0,0,0,0,0,1|3,0,0]=4 1434 B10R1.113 Fc1cccc(c1)C(=O)O 1P003JXV [0,0,0,0,0,1|2,0,0]=3 1435 B10R1.113 Fc1cccc(c1)C(=O)[O-] 1P00DAE1 [0,0,0,0,0,1|2,0,1]=4 1436 B10R1.113 Fc1cccc(n1)C(=O)O 1P003HSX [0,0,0,0,0,1|3,0,0]=4 1437 B10R1.113 Fc1nccc(c1)C(=O)C 1P008RVB [0,0,0,0,0,1|3,0,0]=4 1438 B10R1.113 Fc1nccc(c1)C(=O)Cl 1P00EEA5 [0,0,0,0,0,1|3,0,0]=4 1439 B10R1.113 Fc1nccc(c1)C(=O)N 1P01A8DW [0,0,0,0,0,1|3,0,0]=4 1440 B10R1.113 Fc1nccc(c1)C(=O)O 1P003HSL [0,0,0,0,0,1|2,0,0]=3 1441 B10R1.113 Ic1cccc(c1)C(=O)C 1P001K5K [0,0,0,0,0,1|3,0,0]=4 1442 B10R1.113 Ic1cccc(c1)C(=O)Cl 1P003K2B [0,0,0,0,0,1|3,0,0]=4 1443 B10R1.113 Ic1cccc(c1)C(=O)N 1P0085PW [0,0,0,0,0,1|3,0,0]=4 1444 B10R1.113 Ic1cccc(c1)C(=O)O 1P003K29 [0,0,0,0,0,1|2,0,0]=3 1445 B10R1.113 Ic1cccc(n1)C(=O)O 1P00IAAK [0,0,0,0,0,1|3,0,0]=4 1446 B10R1.113 Ic1nccc(c1)C(=O)N 1P00C2N5 [0,0,0,0,0,1|3,0,0]=4 1447 B10R1.113 Ic1nccc(c1)C(=O)O 1P0033TU [0,0,0,0,0,1|2,0,0]=3 1448 B10R1.113 NC(=O)c1cc(Br)ccn1 1P00ECYG [0,0,0,0,0,1|3,0,0]=4 1449 B10R1.113 NC(=O)c1cc(Br)cnc1 1P002WR4 [0,0,0,0,0,1|3,0,0]=4 1450 B10R1.113 NC(=O)c1cc(Cl)ccn1 1P003LP2 [0,0,0,0,0,1|3,0,0]=4 1451 B10R1.113 NC(=O)c1cc(Cl)cnc1 1P00C4C5 [0,0,0,0,0,1|3,0,0]=4 1452 B10R1.113 NC(=O)c1cc(Cl)ncn1 1P00GK4N [0,0,0,0,0,1|3,0,0]=4 1453 B10R1.113 NC(=O)c1cc(F)cnc1 1P003N8D [0,0,0,0,0,1|3,0,0]=4 1454 B10R1.113 NC(=O)c1cc(O)cnc1 1P000550 [0,0,0,0,0,1|3,0,0]=4 1455 B10R1.113 NC(=O)c1cc(O)ncn1 1P00IKHA [0,0,0,0,0,1|3,0,0]=4 1456 B10R1.113 Nc1cc(cnc1)C(=O)O 1P003MV4 [0,0,0,0,0,1|2,0,0]=3 1457 B10R1.113 Nc1cc(cnn1)C(=O)O 1P000M84 [0,0,0,0,0,1|2,0,0]=3 1458 B10R1.113 Nc1cc(ncc1)C(=O)O 1P00014A [0,0,0,0,0,1|2,0,0]=3 1459 B10R1.113 Nc1cc(ncc1)C(=O)O 1P000ZD8 [0,0,0,0,0,1|2,0,0]=3 1460 B10R1.113 Nc1cc(ncc1)C(=O)O 1P003L8Q [0,0,0,0,0,1|2,0,0]=3 1461 B10R1.113 Nc1cccc(c1)C(=O)C 1P003JDU [0,0,0,0,0,1|3,0,0]=4 1462 B10R1.113 Nc1cccc(c1)C(=O)N 1P0037SS [0,0,0,0,0,1|3,0,0]=4 1463 B10R1.113 Nc1cccc(c1)C(=O)O 1P003421 [0,0,0,0,0,1|2,0,0]=3 1464 B10R1.113 Nc1cccc(c1)C(=O)O 1P003JDW [0,0,0,0,0,1|2,0,0]=3 1465 B10R1.113 Nc1cccc(c1)C(=O)O 1P003JDX [0,0,0,0,0,1|2,0,0]=3 1466 B10R1.113 Nc1cccc(n1)C(=O)O 1P002OE4 [0,0,0,0,0,1|3,0,0]=4 1467 B10R1.113 Nc1ccnc(c1)C(=O)N 1P0001IS [0,0,0,0,0,1|3,0,0]=4 1468 B10R1.113 Nc1ccnc(n1)C(=O)O 1P006479 [0,0,0,0,0,1|3,0,0]=4 1469 B10R1.113 Nc1cncc(c1)C(=O)N 1P003MV3 [0,0,0,0,0,1|3,0,0]=4 1470 B10R1.113 Nc1cncc(n1)C(=O)O 1P003NJM [0,0,0,0,0,1|3,0,0]=4 1471 B10R1.113 Nc1nccc(c1)C(=O)C 1P00CL4F [0,0,0,0,0,1|3,0,0]=4 1472 B10R1.113 Nc1nccc(c1)C(=O)N 1P0033K1 [0,0,0,0,0,1|3,0,0]=4 1473 B10R1.113 Nc1nccc(c1)C(=O)O 1P003H05 [0,0,0,0,0,1|2,0,0]=3 1474 B10R1.113 Nc1nccc(c1)C(=O)O 1P00J1XX [0,0,0,0,0,1|2,0,0]=3 1475 B10R1.113 Nc1nccc(n1)C(=O)O 1P003H0P [0,0,0,0,0,1|3,0,0]=4 1476 B10R1.113 O=C1N=CC=C(C1)C(=O)O 1P00HZQT [0,0,0,0,0,1|2,0,1]=4 1477 B10R1.113 O=c1cc[nH]c(c1)C(=O)O 1P00IKJ5 [0,0,0,0,0,1|2,0,0]=3 1478 B10R1.113 O=c1cccc(o1)C(=O)O 1P005Q2O [0,0,0,0,0,1|3,0,0]=4 1479 B10R1.113 O=c1ccoc(c1)C(=O)O 1P003PI6 [0,0,0,0,0,1|2,0,0]=3 1480 B10R1.113 O=c1nc[nH]c(c1)C(=O)O 1P003NSD [0,0,0,0,0,1|2,0,0]=3 1481 B10R1.113 O=n1cccc(c1)C(=O)O 1P003TKE [0,0,0,0,0,1|3,0,0]=4 1482 B10R1.113 OB(c1cncc(c1)C)O 1P001ZTM [0,0,0,0,0,1|2,0,1]=4 1483 B10R1.113 OB(c1nccc(c1)C)O 1P007AHH [0,0,0,0,0,1|2,0,1]=4 1484 B10R1.113 OB(c1ncnc(c1)C)O 1P0251FU [0,0,0,0,0,1|2,0,1]=4 1485 B10R1.113 OC(=O)c1cc(=N)[nH]cn1 1P00C0WV [0,0,0,0,0,1|2,0,0]=3 1486 B10R1.113 OC(=O)c1cc(Br)ccn1 1P0031O8 [0,0,0,0,0,1|2,0,0]=3 1487 B10R1.113 OC(=O)c1cc(Br)cnc1 1P002K2H [0,0,0,0,0,1|2,0,0]=3 1488 B10R1.113 OC(=O)c1cc(Br)nnc1 1P01RLDG [0,0,0,0,0,1|2,0,0]=3 1489 B10R1.113 OC(=O)c1cc(Cl)ccn1 1P003LP3 [0,0,0,0,0,1|2,0,0]=3 1490 B10R1.113 OC(=O)c1cc(Cl)cnc1 1P007ONC [0,0,0,0,0,1|2,0,0]=3 1491 B10R1.113 OC(=O)c1cc(Cl)ncn1 1P00C7DL [0,0,0,0,0,1|2,0,0]=3 1492 B10R1.113 OC(=O)c1cc(Cl)nnc1 1P000OTO [0,0,0,0,0,1|2,0,0]=3 1493 B10R1.113 OC(=O)c1cc(F)ccn1 1P003A14 [0,0,0,0,0,1|2,0,0]=3 1494 B10R1.113 OC(=O)c1cc(F)cnc1 1P0034QK [0,0,0,0,0,1|2,0,0]=3 1495 B10R1.113 OC(=O)c1cc(I)ccn1 1P00I8FB [0,0,0,0,0,1|2,0,0]=3 1496 B10R1.113 OC(=O)c1cc(I)cnc1 1P00AKQU [0,0,0,0,0,1|2,0,0]=3 1497 B10R1.113 OC(=O)c1cc(S)cnc1 1P01C2E3 [0,0,0,0,0,1|2,0,0]=3 1498 B10R1.113 OC(=O)c1cc[nH]c(=S)c1 1P0039DI [0,0,0,0,0,1|2,0,0]=3 1499 B10R1.113 OC(=O)c1cccc(=O)[nH]1 1P003NP5 [0,0,0,0,0,1|3,0,0]=4 1500 B10R1.113 OC(=O)c1cccc(=S)[nH]1 1P001F54 [0,0,0,0,0,1|3,0,0]=4 1501 B10R1.113 OC(=O)c1ccnc(=O)[nH]1 1P0069K5 [0,0,0,0,0,1|3,0,0]=4 1502 B10R1.113 OC(=O)c1cn[nH]c(=O)c1 1P0038UN [0,0,0,0,0,1|2,0,0]=3 1503 B10R1.113 OC(=O)c1cncc(=O)[nH]1 1P001B0Z [0,0,0,0,0,1|3,0,0]=4 1504 B10R1.113 OC(=O)c1cncc(n1)Br 1P000PR6 [0,0,0,0,0,1|3,0,0]=4 1505 B10R1.113 OC(=O)c1cncc(n1)Cl 1P002OLN [0,0,0,0,0,1|3,0,0]=4 1506 B10R1.113 OC(=O)c1nc(Br)ccn1 1P002RR1 [0,0,0,0,0,1|3,0,0]=4 1507 B10R1.113 OC(=O)c1nc(Cl)ccn1 1P003LKW [0,0,0,0,0,1|3,0,0]=4 1508 B10R1.113 OC(=O)c1ncnc(c1)N 1P01FSNP [0,0,0,0,0,1|2,0,0]=3 1509 B10R1.113 Oc1cccc(c1)C(=O)C 1P003K0U [0,0,0,0,0,1|3,0,0]=4 1510 B10R1.113 Oc1cccc(c1)C(=O)N 1P0037IV [0,0,0,0,0,1|3,0,0]=4 1511 B10R1.113 Oc1cccc(c1)C(=O)O 1P00346R [0,0,0,0,0,1|2,0,0]=3 1512 B10R1.113 Oc1cccc(c1)C(=O)[O-] 1P003URS [0,0,0,0,0,1|2,0,1]=4 1513 B10R1.113 Oc1ccnc(c1)C(=O)O 1P0034J9 [0,0,0,0,0,1|2,0,0]=3 1514 B10R1.113 Oc1cncc(c1)C(=O)O 1P002VC0 [0,0,0,0,0,1|2,0,0]=3 1515 B10R1.113 Oc1cnnc(c1)C(=O)O 1P021ZE5 [0,0,0,0,0,1|3,0,0]=4 1516 B10R1.113 Oc1nccc(c1)C(=O)O 1P0033TH [0,0,0,0,0,1|2,0,0]=3 1517 B10R1.113 Sc1cccc(c1)C(=O)C 1P01AK0X [0,0,0,0,0,1|3,0,0]=4 1518 B10R1.113 Sc1cccc(c1)C(=O)N 1P00EIKO [0,0,0,0,0,1|3,0,0]=4 1519 B10R1.113 Sc1cccc(c1)C(=O)O 1P003K32 [0,0,0,0,0,1|2,0,0]=3 1520 B10R1.113 [O-]C(=O)c1cc(O)ncn1 1P01EMWC [0,0,0,0,0,1|2,0,1]=4 1521 B10R1.113 [O-]C(=O)c1nc(C)ccn1 1P028MJQ [0,0,0,0,0,1|2,0,1]=4 1522 B10R1.113 [O-]S(=O)c1cc(C)ccn1 1P01FLAZ [0,0,0,0,0,1|2,0,1]=4 1523 B10R1.113 [O-][N+](=O)c1cc(C)ccn1 1P0076M1 [0,0,0,0,0,1|2,0,1]=4 1524 B10R1.113 [O-][N+](=O)c1cc(C)cnc1 1P005WRS [0,0,0,0,0,1|2,0,1]=4 1525 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [1,0,1,0,0,0|1,0,1]=4 1526 B7R0.4 CCOC=CC(=O)O 1P003AAM [1,0,1,0,0,0|0,1,1]=4 1527 B7R0.4 CCO\C=C\C(=O)O 1P001ERC [1,0,1,0,0,0|0,1,1]=4 1528 B7R0.4 CNC\C=C\C(=O)O 1P027WD3 [1,0,1,0,0,0|2,0,0]=4 1529 B7R0.4 COCC=CC(=O)O 1P01DNM5 [1,0,1,0,0,0|2,0,0]=4 1530 B7R0.4 COC\C=C\C(=O)O 1P00EFQT [1,0,1,0,0,0|2,0,0]=4 1531 B7R0.4 CSCC=CC(=O)O 1P028A6U [1,0,1,0,0,0|0,0,2]=4 1532 B7R0.4 C\C=C/C=C/C(=O)O 1P0030BP [1,0,1,0,0,0|1,0,0]=3 1533 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [1,0,1,0,0,0|2,0,0]=4 1534 B7R0.4 C\C=C\C=C\C(=O)Cl 1P002SB9 [1,0,1,0,0,0|2,0,0]=4 1535 B7R0.4 C\C=C\C=C\C(=O)O 1P003UVD [1,0,1,0,0,0|1,0,0]=3 1536 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P002PCF [1,0,1,0,0,0|1,0,1]=4 1537 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P003UUR [1,0,1,0,0,0|1,0,1]=4 1538 B7R0.4 C\C=C\C=C\C(=O)[O-] 1P005GWB [1,0,1,0,0,0|1,0,1]=4 1539 B7R0.4 OC(=O)C\C=C\C=C 1P01BSMX [1,0,1,0,0,0|1,0,1]=4 1540 B7R0.5 CCC=C(C(=O)O)F 1P01C40M [1,0,1,0,0,0|1,0,1]=4 1541 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [1,0,1,0,0,0|0,0,2]=4 1542 B7R0.5 CCOC(=C)C(=O)O 1P01Q8PF [1,0,1,0,0,0|0,1,1]=4 1543 B7R0.5 COCC(=C)C(=O)O 1P01BF18 [1,0,1,0,0,0|0,1,1]=4 1544 B7R0.5 C\C(=C/C=C)\C(=O)O 1P028VMJ [1,0,1,0,0,0|0,0,2]=4 1545 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [1,0,1,0,0,0|0,0,2]=4 1546 B7R0.5 OC(=O)C(=C)CC=C 1P028JZR [1,0,1,0,0,0|0,0,2]=4 1547 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [1,0,1,0,0,0|0,0,2]=4 1548 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [1,0,1,0,0,0|0,1,0]=3 1549 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [1,0,1,0,0,0|0,0,2]=4 1550 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [1,0,1,0,0,0|0,0,2]=4 1551 B7R0.6 NC(=O)\C=C/C(=O)O 1P0035KY [1,0,1,0,0,0|1,1,0]=4 1552 B7R0.6 OC(=O)C=C=C(C)C 1P01GKTU [1,0,1,0,0,0|0,0,2]=4 1553 B7R0.6 OC(=O)CC=C(C)C 1P00389R [1,0,1,0,0,0|0,0,2]=4 1554 B7R0.6 OC(=O)\C=C/C(=O)O 1P0039G6 [1,0,1,0,0,0|1,1,0]=4 1555 B7R0.6 OC(=O)\C=C/C(=O)O 1P003RW7 [1,0,1,0,0,0|1,1,0]=4 1556 B7R0.6 OC(=O)\C=C/C(=O)O 1P00FASS [1,0,1,0,0,0|1,1,0]=4 1557 B7R0.6 OC(=O)\C=C\C(=O)O 1P001G63 [1,0,1,0,0,0|1,1,0]=4 1558 B7R0.6 OC(=O)\C=C\C(=O)O 1P002JTO [1,0,1,0,0,0|1,1,0]=4 1559 B7R0.6 OC(=O)\C=C\C(=O)O 1P0035F6 [1,0,1,0,0,0|1,1,0]=4 1560 B7R0.6 OC(=O)\C=C\C(=O)O 1P00BCCL [1,0,1,0,0,0|1,1,0]=4 1561 B7R0.6 OC(=O)\C=C\C(=O)O 1P00G4L9 [1,0,1,0,0,0|1,1,0]=4 1562 B7R0.6 OC(=O)\C=C\C(=O)O 1P00IM4G [1,0,1,0,0,0|1,1,0]=4 1563 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P0032HL [1,0,1,0,0,0|1,1,0]=4 1564 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P00FASU [1,0,1,0,0,0|1,1,0]=4 1565 B7R0.6 [O-]C(=O)\C=C\C(=O)O 1P003UTI [1,0,1,0,0,0|1,1,0]=4 1566 B7R0.15 C\C=C(\C(=O)O)/C#N 1P019GTI [1,0,1,0,0,0|1,0,1]=4 1567 B7R1.1 C#Cc1cscc1 1P003JVK [2,0,0,0,0,0|1,0,1]=4 1568 B7R1.1 C1SCC=C1C=O 1P000A32 [2,0,0,0,0,0|0,0,2]=4 1569 B7R1.1 C=Cc1cscc1 1P0012UB [2,0,0,0,0,0|1,0,0]=3 1570 B7R1.1 CCc1cscc1 1P0027I2 [2,0,0,0,0,0|1,0,1]=4 1571 B7R1.1 CNc1cscc1 1P01B2HP [2,0,0,0,0,0|2,0,0]=4 1572 B7R1.1 COc1cscc1 1P0021M3 [2,0,0,0,0,0|2,0,0]=4 1573 B7R1.1 CSc1cscc1 1P002JFX [2,0,0,0,0,0|2,0,0]=4 1574 B7R1.1 ClCc1cscc1 1P00C23C [2,0,0,0,0,0|1,0,1]=4 1575 B7R1.1 N#Cc1cscc1 1P001V4K [2,0,0,0,0,0|1,0,1]=4 1576 B7R1.1 NCc1cscc1 1P000GRT [2,0,0,0,0,0|1,0,1]=4 1577 B7R1.1 NCc1cscc1 1P002V4H [2,0,0,0,0,0|1,0,1]=4 1578 B7R1.1 O=C[C-]1C=CC=C1 1P000X4V [2,0,0,0,0,0|1,0,1]=4 1579 B7R1.1 O=Cc1c[nH]cc1 1P00360O [2,0,0,0,0,0|1,0,0]=3 1580 B7R1.1 O=Cc1c[nH]nc1 1P000Q03 [2,0,0,0,0,0|2,0,0]=4 1581 B7R1.1 O=Cc1c[nH]nc1 1P0036BF [2,0,0,0,0,0|2,0,0]=4 1582 B7R1.1 O=Cc1cc[nH]n1 1P0037YS [2,0,0,0,0,0|2,0,0]=4 1583 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [2,0,0,0,0,0|2,0,0]=4 1584 B7R1.1 O=Cc1ccc[se]1 1P002QYK [2,0,0,0,0,0|2,0,0]=4 1585 B7R1.1 O=Cc1ccco1 1P0033SN [2,0,0,0,0,0|2,0,0]=4 1586 B7R1.1 O=Cc1cccs1 1P0039RD [2,0,0,0,0,0|2,0,0]=4 1587 B7R1.1 O=Cc1ccn[nH]1 1P003EVE [2,0,0,0,0,0|2,0,0]=4 1588 B7R1.1 O=Cc1ccno1 1P00ABVW [2,0,0,0,0,0|2,0,0]=4 1589 B7R1.1 O=Cc1ccns1 1P00395A [2,0,0,0,0,0|2,0,0]=4 1590 B7R1.1 O=Cc1ccon1 1P0036Q6 [2,0,0,0,0,0|1,1,0]=4 1591 B7R1.1 O=Cc1ccsn1 1P01E7HF [2,0,0,0,0,0|1,0,0]=3 1592 B7R1.1 O=Cc1cnc[nH]1 1P00309Z [2,0,0,0,0,0|2,0,0]=4 1593 B7R1.1 O=Cc1cnco1 1P007RNX [2,0,0,0,0,0|2,0,0]=4 1594 B7R1.1 O=Cc1cncs1 1P0001Y5 [2,0,0,0,0,0|2,0,0]=4 1595 B7R1.1 O=Cc1cnsn1 1P005N99 [2,0,0,0,0,0|2,0,0]=4 1596 B7R1.1 O=Cc1cocc1 1P003JYV [2,0,0,0,0,0|0,1,0]=3 1597 B7R1.1 O=Cc1cocn1 1P0039FC [2,0,0,0,0,0|1,1,0]=4 1598 B7R1.1 O=Cc1conc1 1P00EAG3 [2,0,0,0,0,0|1,1,0]=4 1599 B7R1.1 O=Cc1cscc1 1P00348X [2,0,0,0,0,0|0,0,0]=2 1600 B7R1.1 O=Cc1cscn1 1P007D9X [2,0,0,0,0,0|1,0,0]=3 1601 B7R1.1 O=Cc1csnc1 1P005H6H [2,0,0,0,0,0|1,0,0]=3 1602 B7R1.1 O=Cc1csnn1 1P002URS [2,0,0,0,0,0|2,0,0]=4 1603 B7R1.1 O=Cc1nscn1 1P028B7G [2,0,0,0,0,0|2,0,0]=4 1604 B7R1.1 OCc1c[nH]cc1 1P00FVQG [2,0,0,0,0,0|1,0,1]=4 1605 B7R1.1 OCc1ccsn1 1P01V5TO [2,0,0,0,0,0|1,0,1]=4 1606 B7R1.1 OCc1cocc1 1P0072QO [2,0,0,0,0,0|0,1,1]=4 1607 B7R1.1 OCc1cscc1 1P003KDJ [2,0,0,0,0,0|0,0,1]=3 1608 B7R1.1 OCc1cscn1 1P003AEU [2,0,0,0,0,0|1,0,1]=4 1609 B7R1.1 OCc1csnc1 1P00BAEG [2,0,0,0,0,0|1,0,1]=4 1610 B7R1.1 SCc1cscc1 1P001V2D [2,0,0,0,0,0|0,1,1]=4 1611 B7R1.2 Brc1csc(c1)C 1P002YT6 [2,0,0,0,0,0|1,0,0]=3 1612 B7R1.2 Brc1csc(c1)Cl 1P0037TQ [2,0,0,0,0,0|2,0,0]=4 1613 B7R1.2 Brc1csc(c1)I 1P00ICX3 [2,0,0,0,0,0|2,0,0]=4 1614 B7R1.2 Brc1csc(n1)C 1P003LDZ [2,0,0,0,0,0|2,0,0]=4 1615 B7R1.2 Brc1scc(c1)Br 1P0033FJ [2,0,0,0,0,0|2,0,0]=4 1616 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [2,0,0,0,0,0|1,0,1]=4 1617 B7R1.2 CC1=CC(=O)N=N1 1P01HFI0 [2,0,0,0,0,0|2,0,0]=4 1618 B7R1.2 CC1=CC(=O)OC1 1P003M8M [2,0,0,0,0,0|2,0,0]=4 1619 B7R1.2 Cc1[nH][nH]c(=O)c1 1P0011IO [2,0,0,0,0,0|2,0,0]=4 1620 B7R1.2 Cc1[nH]cc(c1)C 1P0036EO [2,0,0,0,0,0|1,0,1]=4 1621 B7R1.2 Cc1cc(=O)[nH]o1 1P00013U [2,0,0,0,0,0|1,1,0]=4 1622 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [2,0,0,0,0,0|2,0,0]=4 1623 B7R1.2 Cc1csc(c1)Br 1P00DIEK [2,0,0,0,0,0|1,0,1]=4 1624 B7R1.2 Cc1csc(c1)N 1P001FKH [2,0,0,0,0,0|1,0,1]=4 1625 B7R1.2 Cc1csc(c1)N 1P00H1HI [2,0,0,0,0,0|1,0,1]=4 1626 B7R1.2 Cc1csc(c1)S 1P01BJTY [2,0,0,0,0,0|1,0,1]=4 1627 B7R1.2 Cc1n[nH]c(c1)O 1P0011IB [2,0,0,0,0,0|2,0,0]=4 1628 B7R1.2 Cc1noc(c1)O 1P019SLV [2,0,0,0,0,0|2,0,0]=4 1629 B7R1.2 Cc1occ(c1)C 1P00CVZ8 [2,0,0,0,0,0|0,1,1]=4 1630 B7R1.2 Cc1scc(c1)C 1P00E9VH [2,0,0,0,0,0|0,0,1]=3 1631 B7R1.2 Cc1scc(n1)C 1P0037JU [2,0,0,0,0,0|1,0,1]=4 1632 B7R1.2 Clc1cc(=O)[nH]s1 1P00387B [2,0,0,0,0,0|2,0,0]=4 1633 B7R1.2 Clc1csc(c1)Br 1P00I6LU [2,0,0,0,0,0|2,0,0]=4 1634 B7R1.2 Clc1csc(c1)I 1P028AXN [2,0,0,0,0,0|2,0,0]=4 1635 B7R1.2 Clc1scc(c1)Cl 1P027EOK [2,0,0,0,0,0|2,0,0]=4 1636 B7R1.2 Cn1cc(cn1)O 1P003AKQ [2,0,0,0,0,0|2,0,0]=4 1637 B7R1.2 Cn1cc(cn1)O 1P01AFQM [2,0,0,0,0,0|2,0,0]=4 1638 B7R1.2 Fc1csc(c1)Br 1P00CA59 [2,0,0,0,0,0|2,0,0]=4 1639 B7R1.2 Ic1csc(c1)C 1P001VNM [2,0,0,0,0,0|1,0,0]=3 1640 B7R1.2 Ic1csc(c1)Cl 1P00NK34 [2,0,0,0,0,0|2,0,0]=4 1641 B7R1.2 Nc1csc(c1)Br 1P01LOUQ [2,0,0,0,0,0|2,0,0]=4 1642 B7R1.2 Nc1csc(c1)C 1P00BGJR [2,0,0,0,0,0|1,0,0]=3 1643 B7R1.2 Nc1csc(c1)Cl 1P001DBG [2,0,0,0,0,0|2,0,0]=4 1644 B7R1.2 Nc1csc(n1)C 1P0022AG [2,0,0,0,0,0|2,0,0]=4 1645 B7R1.2 Nc1nsc(c1)C 1P01AMKD [2,0,0,0,0,0|2,0,0]=4 1646 B7R1.2 O=C1COC(=C1)C 1P00CL5L [2,0,0,0,0,0|0,1,1]=4 1647 B7R1.2 Oc1c[nH]c(n1)C 1P0292BX [2,0,0,0,0,0|2,0,0]=4 1648 B7R1.2 Oc1csc(n1)N 1P0068D4 [2,0,0,0,0,0|2,0,0]=4 1649 B7R1.2 Oc1n[nH]c(c1)C 1P001L0T [2,0,0,0,0,0|2,0,0]=4 1650 B7R1.2 Sc1csc(c1)C 1P01Q2WP [2,0,0,0,0,0|0,1,0]=3 1651 B9R0.43 CCC(=CC)C=CC(=O)O 1P0292SX [0,1,1,0,0,0|1,0,1]=4 1652 B9R0.64 CSC(\C=C\C(=O)O)(C)C 1P028ZSW [0,1,1,0,0,0|0,0,2]=4 1653 B9R1.7 BrCCc1csc(c1)C 1P027WGA [1,1,0,0,0,0|1,0,1]=4 1654 B9R1.7 COCc1csc(c1)Br 1P027XGR [1,1,0,0,0,0|1,0,1]=4 1655 B9R1.7 Cc1ccc(s1)CC=O 1P01DVRI [1,1,0,0,0,0|2,0,0]=4 1656 B9R1.7 Cc1nc(cs1)CCO 1P007QY7 [1,1,0,0,0,0|1,0,1]=4 1657 B9R1.7 N#CCc1csc(c1)C 1P027ZLN [1,1,0,0,0,0|1,0,1]=4 1658 B9R1.7 O=C=Nc1csc(c1)Br 1P024UOR [1,1,0,0,0,0|1,0,1]=4 1659 B9R1.7 OCCc1csc(c1)Br 1P01BHKN [1,1,0,0,0,0|1,0,1]=4 1660 B9R1.7 OCCc1csc(c1)C 1P01BBDV [1,1,0,0,0,0|0,0,1]=3 1661 B9R1.7 OCCc1csc(c1)Cl 1P0288A7 [1,1,0,0,0,0|1,0,1]=4 1662 B9R1.7 O\N=C\c1cnn(c1)C 1P00CY9D [1,1,0,0,0,0|2,0,0]=4 1663 B9R1.21 BrCc1ccc(o1)C=O 1P00CKZQ [1,1,0,0,0,0|2,0,0]=4 1664 B9R1.21 CCc1ccc([nH]1)C=O 1P00J30R [1,1,0,0,0,0|2,0,0]=4 1665 B9R1.21 CCc1ccc(o1)C=O 1P002MKX [1,1,0,0,0,0|2,0,0]=4 1666 B9R1.21 CCc1ccc(s1)C=O 1P003N6R [1,1,0,0,0,0|2,0,0]=4 1667 B9R1.21 CCc1csc(c1)C=O 1P0072UN [1,1,0,0,0,0|2,0,0]=4 1668 B9R1.21 CCc1n[nH]c(c1)C=O 1P00DDL8 [1,1,0,0,0,0|2,0,0]=4 1669 B9R1.21 CCc1ncc([nH]1)C=O 1P0053K2 [1,1,0,0,0,0|2,0,0]=4 1670 B9R1.21 CCc1ncc(s1)C=O 1P00H3DV [1,1,0,0,0,0|2,0,0]=4 1671 B9R1.21 CCc1noc(c1)C=O 1P00FDJI [1,1,0,0,0,0|2,0,0]=4 1672 B9R1.21 CCc1onc(c1)C=O 1P0012WP [1,1,0,0,0,0|1,1,0]=4 1673 B9R1.21 CCc1scc(n1)C=O 1P00DJSP [1,1,0,0,0,0|1,0,0]=3 1674 B9R1.21 CCc1scc(n1)CO 1P00H62C [1,1,0,0,0,0|1,0,1]=4 1675 B9R1.21 CCc1scc(n1)CO 1P00J2C6 [1,1,0,0,0,0|1,0,1]=4 1676 B9R1.21 CCn1cc(cn1)C=O 1P0030SN [1,1,0,0,0,0|2,0,0]=4 1677 B9R1.21 CNc1ncc(s1)C=O 1P0282MY [1,1,0,0,0,0|2,0,0]=4 1678 B9R1.21 CNc1scc(n1)CO 1P01BOOK [1,1,0,0,0,0|1,0,1]=4 1679 B9R1.21 COc1ccc(o1)C=O 1P00BHX3 [1,1,0,0,0,0|2,0,0]=4 1680 B9R1.21 COc1ccc(s1)C=O 1P00D2LP [1,1,0,0,0,0|2,0,0]=4 1681 B9R1.21 COc1ncc(s1)C=O 1P0037D3 [1,1,0,0,0,0|2,0,0]=4 1682 B9R1.21 COc1nsc(c1)C=O 1P00BVDH [1,1,0,0,0,0|2,0,0]=4 1683 B9R1.21 COc1scc(n1)C=O 1P009TNV [1,1,0,0,0,0|1,0,0]=3 1684 B9R1.21 CSc1ccc(o1)C=O 1P01C2OB [1,1,0,0,0,0|2,0,0]=4 1685 B9R1.21 CSc1ccc(s1)C=O 1P006VF3 [1,1,0,0,0,0|2,0,0]=4 1686 B9R1.21 CSc1ncc(s1)C=O 1P01SOC4 [1,1,0,0,0,0|2,0,0]=4 1687 B9R1.21 ClCc1ccc(o1)C=O 1P001TFT [1,1,0,0,0,0|2,0,0]=4 1688 B9R1.21 ClCc1csc(c1)C=O 1P00J2MZ [1,1,0,0,0,0|2,0,0]=4 1689 B9R1.21 ClCc1noc(c1)C=O 1P028JRK [1,1,0,0,0,0|2,0,0]=4 1690 B9R1.21 FCc1onc(c1)C=O 1P0288UJ [1,1,0,0,0,0|1,1,0]=4 1691 B9R1.21 NCc1scc(c1)C#N 1P002N1U [1,1,0,0,0,0|1,0,1]=4 1692 B9R1.21 NCc1scc(n1)CO 1P01ADFW [1,1,0,0,0,0|1,0,1]=4 1693 B9R1.21 O=Cc1c[nH]c(c1)C#N 1P00J35X [1,1,0,0,0,0|1,0,1]=4 1694 B9R1.21 O=Cc1ccn(c1)CC 1P00CYIE [1,1,0,0,0,0|2,0,0]=4 1695 B9R1.21 O=Cc1csc(c1)C#N 1P00EK3L [1,1,0,0,0,0|0,0,1]=3 1696 B9R1.21 O=Cc1csc(n1)C#C 1P0285FW [1,1,0,0,0,0|1,0,1]=4 1697 B9R1.21 O=Cc1csc(n1)C#N 1P028XB7 [1,1,0,0,0,0|1,0,1]=4 1698 B9R1.21 O=Cc1scc(c1)C=O 1P00H2R6 [1,1,0,0,0,0|0,0,1]=3 1699 B9R1.21 OCc1ccc([nH]1)C=O 1P006I9A [1,1,0,0,0,0|2,0,0]=4 1700 B9R1.21 OCc1ccc(o1)C=O 1P0034R0 [1,1,0,0,0,0|2,0,0]=4 1701 B9R1.21 OCc1csc(c1)C#N 1P01K19K [1,1,0,0,0,0|0,0,2]=4 1702 B9R1.21 OCc1occ(c1)CO 1P002YZK [1,1,0,0,0,0|0,1,1]=4 1703 B9R1.21 OCc1scc(c1)C#N 1P00G957 [1,1,0,0,0,0|1,0,1]=4 1704 B9R1.21 OCc1scc(n1)CO 1P01BHH8 [1,1,0,0,0,0|1,0,1]=4 1705 B9R1.22 C#Cc1cc(sc1C)C 1P00A7U4 [1,1,0,0,0,0|1,0,1]=4 1706 B9R1.22 ClCc1cc(sc1C)C 1P019Y3B [1,1,0,0,0,0|1,0,1]=4 1707 B9R1.22 Cn1nc(cc1C=O)C 1P002QOA [1,1,0,0,0,0|2,0,0]=4 1708 B9R1.22 N#Cc1cc(sc1N)C 1P003GXY [1,1,0,0,0,0|1,0,1]=4 1709 B9R1.22 NCc1cc(sc1C)C 1P018X4R [1,1,0,0,0,0|1,0,1]=4 1710 B9R1.22 O=Cc1[nH]c(cc1C)C 1P00389A [1,1,0,0,0,0|2,0,0]=4 1711 B9R1.22 O=Cc1[nH]c(nc1Br)C 1P01B8DD [1,1,0,0,0,0|2,0,0]=4 1712 B9R1.22 O=Cc1cc([nH]c1C)C 1P00C2KS [1,1,0,0,0,0|1,0,0]=3 1713 B9R1.22 O=Cc1cc(oc1Br)Br 1P028A1R [1,1,0,0,0,0|1,1,0]=4 1714 B9R1.22 O=Cc1cc(oc1C)C 1P01A4CI [1,1,0,0,0,0|0,1,0]=3 1715 B9R1.22 O=Cc1cc(sc1Br)Br 1P000J0M [1,1,0,0,0,0|1,0,0]=3 1716 B9R1.22 O=Cc1cc(sc1C)Br 1P028PW0 [1,1,0,0,0,0|1,0,0]=3 1717 B9R1.22 O=Cc1cc(sc1C)C 1P002TMF [1,1,0,0,0,0|0,0,0]=2 1718 B9R1.22 O=Cc1cc(sc1C)Cl 1P01EMSD [1,1,0,0,0,0|1,0,0]=3 1719 B9R1.22 O=Cc1cc(sc1Cl)Cl 1P00EBGV [1,1,0,0,0,0|1,0,0]=3 1720 B9R1.22 O=Cc1cc(sc1I)Br 1P028ZFR [1,1,0,0,0,0|1,0,0]=3 1721 B9R1.22 O=Cc1cn(nc1Br)C 1P01BVE6 [1,1,0,0,0,0|2,0,0]=4 1722 B9R1.22 O=Cc1cn(nc1C)C 1P002QO7 [1,1,0,0,0,0|2,0,0]=4 1723 B9R1.22 O=Cc1cn(nc1Cl)C 1P01BCZE [1,1,0,0,0,0|2,0,0]=4 1724 B9R1.22 O=Cc1cn(nc1I)C 1P01BRJE [1,1,0,0,0,0|2,0,0]=4 1725 B9R1.22 O=Cc1cn(nc1N)C 1P008A2Q [1,1,0,0,0,0|2,0,0]=4 1726 B9R1.22 O=Cc1cn(nc1O)C 1P01AMAO [1,1,0,0,0,0|2,0,0]=4 1727 B9R1.22 O=Cc1nc([nH]c1C)C 1P0033GC [1,1,0,0,0,0|2,0,0]=4 1728 B9R1.22 O=Cc1nc(oc1C)C 1P006KTE [1,1,0,0,0,0|1,1,0]=4 1729 B9R1.22 O=Cc1nc(sc1Br)Br 1P024XNL [1,1,0,0,0,0|2,0,0]=4 1730 B9R1.22 O=Cc1nc(sc1Br)C 1P00C4UP [1,1,0,0,0,0|1,0,0]=3 1731 B9R1.22 O=Cc1nc(sc1C)N 1P00E7QC [1,1,0,0,0,0|2,0,0]=4 1732 B9R1.22 O=Cc1oc(nc1C)C 1P005M8R [1,1,0,0,0,0|2,0,0]=4 1733 B9R1.22 O=Cc1sc(cc1Br)C 1P00C17E [1,1,0,0,0,0|2,0,0]=4 1734 B9R1.22 O=Cc1sc(cc1C)C 1P004XBO [1,1,0,0,0,0|2,0,0]=4 1735 B9R1.22 O=Cc1sc(nc1C)C 1P003GBF [1,1,0,0,0,0|2,0,0]=4 1736 B9R1.22 OCc1cc(oc1C)C 1P0001ZY [1,1,0,0,0,0|0,1,1]=4 1737 B9R1.22 OCc1cc(sc1C)Br 1P028BTP [1,1,0,0,0,0|1,0,1]=4 1738 B9R1.22 OCc1cc(sc1C)C 1P019Y3A [1,1,0,0,0,0|0,0,1]=3 1739 B9R1.22 OCc1cc(sc1Cl)Cl 1P01AV65 [1,1,0,0,0,0|1,0,1]=4 1740 B9R1.22 OCc1nc(sc1Br)C 1P00964E [1,1,0,0,0,0|1,0,1]=4 1741 B9R1.22 OCc1nc(sc1C)C 1P00JI87 [1,1,0,0,0,0|1,0,1]=4 1742 B9R1.23 O=Cc1cc(c(o1)Br)C 1P01DWEO [1,1,0,0,0,0|2,0,0]=4 1743 B9R1.23 O=Cc1cc(c(o1)C)Br 1P002IUV [1,1,0,0,0,0|2,0,0]=4 1744 B9R1.23 O=Cc1cc(c(s1)Br)C 1P002IRY [1,1,0,0,0,0|2,0,0]=4 1745 B9R1.23 O=Cc1cc(c(s1)C)Br 1P00C2CJ [1,1,0,0,0,0|2,0,0]=4 1746 B9R1.23 O=Cc1cc(c(s1)Cl)C 1P023Z8Z [1,1,0,0,0,0|2,0,0]=4 1747 B9R1.23 O=Cc1cn(c(n1)C)C 1P01JU0G [1,1,0,0,0,0|2,0,0]=4 1748 B9R1.23 O=Cc1nn(c(c1)C)C 1P002QO9 [1,1,0,0,0,0|2,0,0]=4 1749 B9R1.23 O=Cc1oc(c(c1)C)C 1P003KYZ [1,1,0,0,0,0|2,0,0]=4 1750 B9R1.23 O=Cc1sc(c(c1)C)C 1P003KZ3 [1,1,0,0,0,0|2,0,0]=4 1751 B9R1.132 Cn1c(C=O)ccc1C 1P000J0S [1,1,0,0,0,0|2,0,0]=4 1752 B9R1.132 Cn1c(C=O)cnc1C 1P00I53U [1,1,0,0,0,0|2,0,0]=4 1753 B9R1.132 O=Cc1[nH]cc(c1C)C 1P002B22 [1,1,0,0,0,0|2,0,0]=4 1754 B9R1.132 O=Cc1[nH]nc(c1Br)C 1P00HSBD [1,1,0,0,0,0|2,0,0]=4 1755 B9R1.132 O=Cc1[nH]nc(c1Cl)C 1P008VSV [1,1,0,0,0,0|2,0,0]=4 1756 B9R1.132 O=Cc1c[nH]c(c1Br)Br 1P01B949 [1,1,0,0,0,0|2,0,0]=4 1757 B9R1.132 O=Cc1cnn(c1Br)C 1P01C4KJ [1,1,0,0,0,0|2,0,0]=4 1758 B9R1.132 O=Cc1cnn(c1C)C 1P003872 [1,1,0,0,0,0|2,0,0]=4 1759 B9R1.132 O=Cc1cnn(c1Cl)C 1P000E0N [1,1,0,0,0,0|2,0,0]=4 1760 B9R1.132 O=Cc1cnn(c1N)C 1P00EEAL [1,1,0,0,0,0|2,0,0]=4 1761 B9R1.132 O=Cc1cnn(c1[2H])C 1P0293PO [1,1,0,0,0,0|2,0,0]=4 1762 B9R1.132 O=Cc1cnn(c1[O-])C 1P028H11 [1,1,0,0,0,0|2,0,0]=4 1763 B9R1.132 O=Cc1csc(c1Br)Br 1P00F534 [1,1,0,0,0,0|1,0,0]=3 1764 B9R1.132 O=Cc1csc(c1C)C 1P01C0TC [1,1,0,0,0,0|0,0,0]=2 1765 B9R1.132 O=Cc1csc(c1Cl)Cl 1P00EGQ7 [1,1,0,0,0,0|1,0,0]=3 1766 B9R1.132 O=Cc1n[nH]c(c1C)C 1P009QCX [1,1,0,0,0,0|2,0,0]=4 1767 B9R1.132 O=Cc1noc(c1Br)C 1P028AML [1,1,0,0,0,0|1,1,0]=4 1768 B9R1.132 O=Cc1scc(c1Cl)C 1P00HIYW [1,1,0,0,0,0|2,0,0]=4 1769 B9R1.132 OCc1csc(c1C)C 1P000IM7 [1,1,0,0,0,0|0,0,1]=3 1770 B9R1.132 OCc1csc(c1N)C 1P02868J [1,1,0,0,0,0|0,0,1]=3 1771 B9R1.11 BrCC(=O)c1cscc1 1P001ETB [1,1,0,0,0,0|1,0,0]=3 1772 B9R1.11 C#CC(c1cscc1)O 1P00HYK8 [1,1,0,0,0,0|1,0,1]=4 1773 B9R1.11 CCC(=O)c1cocc1 1P00BHS8 [1,1,0,0,0,0|1,1,0]=4 1774 B9R1.11 COC(=O)C1=CCSC1 1P003S2J [1,1,0,0,0,0|0,0,2]=4 1775 B9R1.11 COC(=O)C1=CSCC1 1P028QT6 [1,1,0,0,0,0|0,0,2]=4 1776 B9R1.11 COC(=O)c1c[nH]cc1 1P003S13 [1,1,0,0,0,0|1,0,0]=3 1777 B9R1.11 COC(=O)c1c[nH]cn1 1P0035OC [1,1,0,0,0,0|2,0,0]=4 1778 B9R1.11 COC(=O)c1c[nH]nc1 1P0023PD [1,1,0,0,0,0|2,0,0]=4 1779 B9R1.11 COC(=O)c1c[nH]nc1 1P00DAF2 [1,1,0,0,0,0|2,0,0]=4 1780 B9R1.11 COC(=O)c1cc[nH]n1 1P003S12 [1,1,0,0,0,0|2,0,0]=4 1781 B9R1.11 COC(=O)c1ccc[nH]1 1P000J0Q [1,1,0,0,0,0|2,0,0]=4 1782 B9R1.11 COC(=O)c1ccco1 1P003S4L [1,1,0,0,0,0|2,0,0]=4 1783 B9R1.11 COC(=O)c1cccs1 1P003SJG [1,1,0,0,0,0|2,0,0]=4 1784 B9R1.11 COC(=O)c1ccn[nH]1 1P0289ZM [1,1,0,0,0,0|2,0,0]=4 1785 B9R1.11 COC(=O)c1ccno1 1P001N6B [1,1,0,0,0,0|2,0,0]=4 1786 B9R1.11 COC(=O)c1ccns1 1P001QUW [1,1,0,0,0,0|2,0,0]=4 1787 B9R1.11 COC(=O)c1ccon1 1P00BINX [1,1,0,0,0,0|1,1,0]=4 1788 B9R1.11 COC(=O)c1ccsn1 1P01R884 [1,1,0,0,0,0|1,0,0]=3 1789 B9R1.11 COC(=O)c1cnco1 1P009C0L [1,1,0,0,0,0|2,0,0]=4 1790 B9R1.11 COC(=O)c1cncs1 1P001L74 [1,1,0,0,0,0|2,0,0]=4 1791 B9R1.11 COC(=O)c1cnsn1 1P01B28S [1,1,0,0,0,0|2,0,0]=4 1792 B9R1.11 COC(=O)c1cocc1 1P000WBX [1,1,0,0,0,0|0,1,0]=3 1793 B9R1.11 COC(=O)c1cocn1 1P007UTI [1,1,0,0,0,0|1,1,0]=4 1794 B9R1.11 COC(=O)c1cscc1 1P002LY4 [1,1,0,0,0,0|0,0,0]=2 1795 B9R1.11 COC(=O)c1cscn1 1P0035OH [1,1,0,0,0,0|1,0,0]=3 1796 B9R1.11 COC(=O)c1csnc1 1P00E7EL [1,1,0,0,0,0|1,0,0]=3 1797 B9R1.11 COC(=O)c1csnn1 1P00778L [1,1,0,0,0,0|2,0,0]=4 1798 B9R1.11 ClCC(=O)c1ccsn1 1P028FED [1,1,0,0,0,0|2,0,0]=4 1799 B9R1.11 ClCC(=O)c1cocc1 1P00EKPA [1,1,0,0,0,0|1,1,0]=4 1800 B9R1.11 ClCC(=O)c1cscn1 1P00DTQP [1,1,0,0,0,0|2,0,0]=4 1801 B9R1.11 NCC(=O)c1ccsn1 1P027XBJ [1,1,0,0,0,0|2,0,0]=4 1802 B9R1.11 NCC(=O)c1cscn1 1P028AIH [1,1,0,0,0,0|2,0,0]=4 1803 B9R1.11 NCC(c1cscc1)O 1P009215 [1,1,0,0,0,0|1,0,1]=4 1804 B9R1.11 NNC(=O)c1c[nH]cc1 1P01HQXU [1,1,0,0,0,0|2,0,0]=4 1805 B9R1.11 NNC(=O)c1cocc1 1P01A8FS [1,1,0,0,0,0|1,1,0]=4 1806 B9R1.11 NNC(=O)c1cscc1 1P0077IY [1,1,0,0,0,0|1,0,0]=3 1807 B9R1.11 NNC(=O)c1cscn1 1P0004K1 [1,1,0,0,0,0|2,0,0]=4 1808 B9R1.11 NNC(=O)c1csnc1 1P0004JS [1,1,0,0,0,0|2,0,0]=4 1809 B9R1.11 O=CC(=O)c1cscc1 1P01GJPF [1,1,0,0,0,0|0,0,1]=3 1810 B9R1.11 OCC(=O)c1ccco1 1P0025D5 [1,1,0,0,0,0|2,0,0]=4 1811 B9R1.11 OCC(c1cscc1)N 1P0096QN [1,1,0,0,0,0|1,0,1]=4 1812 B9R1.11 ON=C(c1cocc1)N 1P01BCAX [1,1,0,0,0,0|1,1,0]=4 1813 B9R1.11 ONC(=N)c1cscc1 1P00ED2B [1,1,0,0,0,0|1,0,0]=3 1814 B9R1.11 ONC(=O)c1ccco1 1P00B6L4 [1,1,0,0,0,0|2,0,0]=4 1815 B9R1.11 ONC(=O)c1cccs1 1P0025IK [1,1,0,0,0,0|2,0,0]=4 1816 B9R1.19 CS(=O)(=O)c1cscc1 1P00792L [1,1,0,0,0,0|1,0,1]=4 1817 B9R1.19 ClS(=O)(=O)c1cscc1 1P00D9D5 [1,1,0,0,0,0|1,0,1]=4 1818 B9R1.41 CC(=O)c1c[nH]cc1C 1P002H7O [1,1,0,0,0,0|2,0,0]=4 1819 B9R1.41 CC(=O)c1ccsc1Br 1P0013HS [1,1,0,0,0,0|1,0,0]=3 1820 B9R1.41 CC(=O)c1ccsc1N 1P00H3GS [1,1,0,0,0,0|1,0,0]=3 1821 B9R1.41 CC(=O)c1cscc1Br 1P01AVHJ [1,1,0,0,0,0|1,0,0]=3 1822 B9R1.41 CC(=O)c1cscc1C 1P028JR5 [1,1,0,0,0,0|1,0,0]=3 1823 B9R1.41 CC(=O)c1csnc1C 1P01DWPQ [1,1,0,0,0,0|2,0,0]=4 1824 B9R1.41 CC(=O)c1ncsc1C 1P01EC4G [1,1,0,0,0,0|2,0,0]=4 1825 B9R1.41 CC(=O)c1nscc1Br 1P028X0N [1,1,0,0,0,0|2,0,0]=4 1826 B9R1.41 Cc1c(cc[nH]1)C(=O)O 1P00CJAR [1,1,0,0,0,0|1,0,0]=3 1827 B9R1.41 Cc1c(cn[nH]1)C(=O)O 1P008ZBW [1,1,0,0,0,0|2,0,0]=4 1828 B9R1.41 Cc1c(nc[nH]1)C(=O)O 1P00J3V3 [1,1,0,0,0,0|2,0,0]=4 1829 B9R1.41 Cc1c[nH]cc1C(=O)O 1P00EEYA [1,1,0,0,0,0|1,0,0]=3 1830 B9R1.41 Cc1c[nH]nc1C(=O)O 1P003M98 [1,1,0,0,0,0|2,0,0]=4 1831 B9R1.41 Cc1c[nH]nc1C(=O)O 1P01C25O [1,1,0,0,0,0|2,0,0]=4 1832 B9R1.41 Cc1cnoc1C(=O)O 1P002S9L [1,1,0,0,0,0|2,0,0]=4 1833 B9R1.41 Cc1cnsc1C(=O)O 1P001QUX [1,1,0,0,0,0|2,0,0]=4 1834 B9R1.41 Cc1cocc1C(=O)O 1P00HA4A [1,1,0,0,0,0|0,1,0]=3 1835 B9R1.41 Cc1conc1C(=O)O 1P007QD3 [1,1,0,0,0,0|1,1,0]=4 1836 B9R1.41 Cc1cscc1C(=O)Cl 1P01AD6M [1,1,0,0,0,0|1,0,0]=3 1837 B9R1.41 Cc1cscc1C(=O)O 1P008O79 [1,1,0,0,0,0|0,0,0]=2 1838 B9R1.41 Cc1n[nH]cc1C(=O)O 1P0037YK [1,1,0,0,0,0|2,0,0]=4 1839 B9R1.41 Cc1nc[nH]c1C(=O)O 1P001DSJ [1,1,0,0,0,0|2,0,0]=4 1840 B9R1.41 Cc1ncoc1C(=O)O 1P002QXR [1,1,0,0,0,0|2,0,0]=4 1841 B9R1.41 Cc1ncsc1C(=O)O 1P002A6Z [1,1,0,0,0,0|2,0,0]=4 1842 B9R1.41 Cc1nocc1C(=O)O 1P003481 [1,1,0,0,0,0|1,1,0]=4 1843 B9R1.41 Cc1nscc1C(=O)O 1P001QW4 [1,1,0,0,0,0|1,0,0]=3 1844 B9R1.41 Cc1nsnc1C(=O)O 1P00J2TS [1,1,0,0,0,0|2,0,0]=4 1845 B9R1.41 Cc1occc1C(=O)O 1P003I5Y [1,1,0,0,0,0|0,1,0]=3 1846 B9R1.41 Cc1ocnc1C(=O)O 1P003ND2 [1,1,0,0,0,0|1,1,0]=4 1847 B9R1.41 Cc1oncc1C(=O)O 1P003NCC [1,1,0,0,0,0|1,1,0]=4 1848 B9R1.41 Cc1sccc1C(=O)O 1P002FXW [1,1,0,0,0,0|0,0,0]=2 1849 B9R1.41 Cc1scnc1C(=O)O 1P007QWB [1,1,0,0,0,0|1,0,0]=3 1850 B9R1.41 Cc1sncc1C(=O)O 1P01DYW5 [1,1,0,0,0,0|1,0,0]=3 1851 B9R1.41 Cc1snnc1C(=O)O 1P00BJ36 [1,1,0,0,0,0|2,0,0]=4 1852 B9R1.41 ClC(=O)c1cscc1Br 1P005EGP [1,1,0,0,0,0|1,0,0]=3 1853 B9R1.41 Cn1cncc1C(=O)O 1P00339D [1,1,0,0,0,0|2,0,0]=4 1854 B9R1.41 Cn1nccc1C(=O)O 1P001SBJ [1,1,0,0,0,0|2,0,0]=4 1855 B9R1.41 FC1=C(NC=C1)C(=O)O 1P01FWZK [1,1,0,0,0,0|2,0,0]=4 1856 B9R1.41 NC(=O)c1ccsc1Br 1P002IS4 [1,1,0,0,0,0|1,0,0]=3 1857 B9R1.41 NC(=O)c1ccsc1N 1P001D9F [1,1,0,0,0,0|1,0,0]=3 1858 B9R1.41 NC(=O)c1cnsc1N 1P001IBT [1,1,0,0,0,0|2,0,0]=4 1859 B9R1.41 NC(=O)c1cscc1Br 1P0001T8 [1,1,0,0,0,0|1,0,0]=3 1860 B9R1.41 NC(=O)c1ncsc1Cl 1P01BCY1 [1,1,0,0,0,0|2,0,0]=4 1861 B9R1.41 NC(=O)c1ncsc1N 1P00DIFM [1,1,0,0,0,0|2,0,0]=4 1862 B9R1.41 NC(=S)c1cscc1Br 1P01DZ6L [1,1,0,0,0,0|1,1,0]=4 1863 B9R1.41 Nc1c(cn[nH]1)C(=O)O 1P00A3YG [1,1,0,0,0,0|2,0,0]=4 1864 B9R1.41 Nc1c[nH]nc1C(=O)O 1P000BTK [1,1,0,0,0,0|2,0,0]=4 1865 B9R1.41 Nc1cn[nH]c1C(=O)O 1P009WJM [1,1,0,0,0,0|2,0,0]=4 1866 B9R1.41 Nc1csnc1C(=O)O 1P005R0T [1,1,0,0,0,0|1,0,0]=3 1867 B9R1.41 Nc1n[nH]cc1C(=O)O 1P003425 [1,1,0,0,0,0|2,0,0]=4 1868 B9R1.41 Nc1nsnc1C(=O)O 1P00BDZE [1,1,0,0,0,0|2,0,0]=4 1869 B9R1.41 Nc1sccc1C(=O)O 1P00EAZ3 [1,1,0,0,0,0|0,0,0]=2 1870 B9R1.41 Nc1snnc1C(=O)O 1P028AVP [1,1,0,0,0,0|2,0,0]=4 1871 B9R1.41 O=C(C1=C(Br)SN=C1)O 1P01KCRT [1,1,0,0,0,0|1,0,0]=3 1872 B9R1.41 OB(c1ccsc1C)O 1P0025YY [1,1,0,0,0,0|1,0,1]=4 1873 B9R1.41 OB(c1ccsc1Cl)O 1P0025Z2 [1,1,0,0,0,0|1,0,1]=4 1874 B9R1.41 OB(c1cscc1Br)O 1P00045Z [1,1,0,0,0,0|1,0,1]=4 1875 B9R1.41 OB(c1cscc1C)O 1P0025YX [1,1,0,0,0,0|1,0,1]=4 1876 B9R1.41 OB(c1cscc1Cl)O 1P0291UU [1,1,0,0,0,0|1,0,1]=4 1877 B9R1.41 OC(=O)c1[nH]ccc1Br 1P001DWJ [1,1,0,0,0,0|2,0,0]=4 1878 B9R1.41 OC(=O)c1[nH]ccc1C 1P006BCT [1,1,0,0,0,0|2,0,0]=4 1879 B9R1.41 OC(=O)c1c(Br)cn[nH]1 1P008VW1 [1,1,0,0,0,0|2,0,0]=4 1880 B9R1.41 OC(=O)c1c(Br)nc[nH]1 1P00JSC8 [1,1,0,0,0,0|2,0,0]=4 1881 B9R1.41 OC(=O)c1c(Cl)cn[nH]1 1P004RQV [1,1,0,0,0,0|2,0,0]=4 1882 B9R1.41 OC(=O)c1c(Cl)nc[nH]1 1P020MPN [1,1,0,0,0,0|2,0,0]=4 1883 B9R1.41 OC(=O)c1c(I)cn[nH]1 1P006LYK [1,1,0,0,0,0|2,0,0]=4 1884 B9R1.41 OC(=O)c1c[nH]nc1Cl 1P009I65 [1,1,0,0,0,0|2,0,0]=4 1885 B9R1.41 OC(=O)c1c[nH]nc1I 1P01KZM6 [1,1,0,0,0,0|2,0,0]=4 1886 B9R1.41 OC(=O)c1cccn1C 1P00ICFR [1,1,0,0,0,0|2,0,0]=4 1887 B9R1.41 OC(=O)c1ccoc1Br 1P002BKS [1,1,0,0,0,0|0,1,0]=3 1888 B9R1.41 OC(=O)c1ccoc1Cl 1P007JLL [1,1,0,0,0,0|0,1,0]=3 1889 B9R1.41 OC(=O)c1ccoc1I 1P00KE9C [1,1,0,0,0,0|0,1,0]=3 1890 B9R1.41 OC(=O)c1ccsc1Br 1P0033LT [1,1,0,0,0,0|0,0,0]=2 1891 B9R1.41 OC(=O)c1ccsc1Cl 1P00DE30 [1,1,0,0,0,0|0,0,0]=2 1892 B9R1.41 OC(=O)c1ccsc1F 1P006BTP [1,1,0,0,0,0|0,0,0]=2 1893 B9R1.41 OC(=O)c1ccsc1I 1P002I22 [1,1,0,0,0,0|0,0,0]=2 1894 B9R1.41 OC(=O)c1cn[nH]c1Br 1P01BWDO [1,1,0,0,0,0|2,0,0]=4 1895 B9R1.41 OC(=O)c1cn[nH]c1Cl 1P0081IG [1,1,0,0,0,0|2,0,0]=4 1896 B9R1.41 OC(=O)c1cocc1Br 1P020M53 [1,1,0,0,0,0|0,1,0]=3 1897 B9R1.41 OC(=O)c1cscc1Br 1P001XH6 [1,1,0,0,0,0|0,0,0]=2 1898 B9R1.41 OC(=O)c1cscc1Cl 1P019TZV [1,1,0,0,0,0|0,0,0]=2 1899 B9R1.41 OC(=O)c1cscc1F 1P008O78 [1,1,0,0,0,0|0,0,0]=2 1900 B9R1.41 OC(=O)c1cscc1I 1P0055VX [1,1,0,0,0,0|0,0,0]=2 1901 B9R1.41 OC(=O)c1csnc1Br 1P01BZ36 [1,1,0,0,0,0|1,0,0]=3 1902 B9R1.41 OC(=O)c1csnc1Cl 1P006GOM [1,1,0,0,0,0|1,0,0]=3 1903 B9R1.41 OC(=O)c1n[nH]cc1Br 1P0013R2 [1,1,0,0,0,0|2,0,0]=4 1904 B9R1.41 OC(=O)c1n[nH]cc1F 1P019U2K [1,1,0,0,0,0|2,0,0]=4 1905 B9R1.41 OC(=O)c1n[nH]cc1I 1P01K16F [1,1,0,0,0,0|2,0,0]=4 1906 B9R1.41 OC(=O)c1ncoc1Br 1P000LYR [1,1,0,0,0,0|1,1,0]=4 1907 B9R1.41 OC(=O)c1ncsc1Br 1P003N1R [1,1,0,0,0,0|1,0,0]=3 1908 B9R1.41 OC(=O)c1nocc1Br 1P028H8R [1,1,0,0,0,0|1,1,0]=4 1909 B9R1.41 OC(=O)c1nocc1Cl 1P01EL98 [1,1,0,0,0,0|1,1,0]=4 1910 B9R1.41 OC(=O)c1nscc1Br 1P00I8ZX [1,1,0,0,0,0|1,0,0]=3 1911 B9R1.41 OC(=O)c1nscc1N 1P01A093 [1,1,0,0,0,0|1,0,0]=3 1912 B9R1.41 OC(=O)c1nscc1O 1P0026ER [1,1,0,0,0,0|1,0,0]=3 1913 B9R1.41 OC(=O)c1nsnc1Cl 1P00E0ZH [1,1,0,0,0,0|2,0,0]=4 1914 B9R1.41 OC(=O)c1occc1Br 1P001LTO [1,1,0,0,0,0|2,0,0]=4 1915 B9R1.41 OC(=O)c1occc1C 1P003K7Z [1,1,0,0,0,0|2,0,0]=4 1916 B9R1.41 OC(=O)c1occc1Cl 1P01BB0X [1,1,0,0,0,0|2,0,0]=4 1917 B9R1.41 OC(=O)c1occc1F 1P027RMC [1,1,0,0,0,0|2,0,0]=4 1918 B9R1.41 OC(=O)c1ocnc1Br 1P021TPK [1,1,0,0,0,0|2,0,0]=4 1919 B9R1.41 OC(=O)c1sccc1Br 1P0036HF [1,1,0,0,0,0|2,0,0]=4 1920 B9R1.41 OC(=O)c1sccc1C 1P00347S [1,1,0,0,0,0|2,0,0]=4 1921 B9R1.41 OC(=O)c1sccc1Cl 1P00392Q [1,1,0,0,0,0|2,0,0]=4 1922 B9R1.41 OC(=O)c1sccc1F 1P00BYYA [1,1,0,0,0,0|2,0,0]=4 1923 B9R1.41 OC(=O)c1sccc1I 1P0037XF [1,1,0,0,0,0|2,0,0]=4 1924 B9R1.41 OC(=O)c1sccc1N 1P003JBB [1,1,0,0,0,0|2,0,0]=4 1925 B9R1.41 OC(=O)c1sccc1O 1P00D9E3 [1,1,0,0,0,0|2,0,0]=4 1926 B9R1.41 OC(=O)c1scnc1Br 1P000MK2 [1,1,0,0,0,0|2,0,0]=4 1927 B9R1.41 OC(=O)c1scnc1Cl 1P00DL89 [1,1,0,0,0,0|2,0,0]=4 1928 B9R1.41 OC(=O)c1scnc1I 1P027VG4 [1,1,0,0,0,0|2,0,0]=4 1929 B9R1.41 OC(=O)c1sncc1Br 1P01A4FX [1,1,0,0,0,0|2,0,0]=4 1930 B9R1.41 OS(=O)c1cscc1Br 1P028ODS [1,1,0,0,0,0|1,0,0]=3 1931 B9R1.41 [O-][N+](=O)c1ccsc1Br 1P003H3W [1,1,0,0,0,0|1,0,1]=4 1932 B9R1.41 [O-][N+](=O)c1ccsc1Cl 1P00DEVE [1,1,0,0,0,0|1,0,1]=4 1933 B9R1.82 COC(=O)C1=CC(=O)C1 1P02863B [0,1,0,0,1,0|1,0,1]=4 1934 B9R1.164 OC(=O)C1=CC(C1)(C)C 1P00CT05 [0,1,0,0,1,0|0,0,2]=4 1935 B11R1.3 BrCc1ccc(cc1)C(=O)Br 1P003LGU [0,1,0,0,0,1|2,0,0]=4 1936 B11R1.3 BrCc1ccc(cc1)C(=O)C 1P00DIC1 [0,1,0,0,0,1|2,0,0]=4 1937 B11R1.3 BrCc1ccc(cc1)C(=O)N 1P00EITA [0,1,0,0,0,1|2,0,0]=4 1938 B11R1.3 BrCc1ccc(cc1)C(=O)O 1P00IBH4 [0,1,0,0,0,1|1,0,0]=3 1939 B11R1.3 C#Cc1ccc(cc1)C(=O)O 1P0036HB [0,1,0,0,0,1|1,0,1]=4 1940 B11R1.3 C#Cc1ccc(cn1)C(=O)O 1P00E6LH [0,1,0,0,0,1|1,0,1]=4 1941 B11R1.3 C#Cc1ccc(nc1)C(=O)O 1P0026SJ [0,1,0,0,0,1|1,0,1]=4 1942 B11R1.3 C=Cc1ccc(cc1)C(=O)O 1P003MJH [0,1,0,0,0,1|1,0,1]=4 1943 B11R1.3 C=Cc1ccc(cn1)C(=O)O 1P01BJ1L [0,1,0,0,0,1|1,0,1]=4 1944 B11R1.3 CCc1ccc(cc1)C(=O)C 1P003U48 [0,1,0,0,0,1|2,0,0]=4 1945 B11R1.3 CCc1ccc(cc1)C(=O)Cl 1P001UHT [0,1,0,0,0,1|2,0,0]=4 1946 B11R1.3 CCc1ccc(cc1)C(=O)O 1P0034HF [0,1,0,0,0,1|1,0,0]=3 1947 B11R1.3 CCc1ccc(cn1)C(=O)O 1P003AZH [0,1,0,0,0,1|1,0,0]=3 1948 B11R1.3 CCc1ccc(cn1)C(=O)O 1P0287PL [0,1,0,0,0,1|1,0,0]=3 1949 B11R1.3 CCc1ccc(nc1)C(=O)O 1P00370M [0,1,0,0,0,1|1,0,0]=3 1950 B11R1.3 CCc1ccc(nc1)C(=O)O 1P0273T4 [0,1,0,0,0,1|1,0,0]=3 1951 B11R1.3 CCc1cnc(nc1)C(=O)O 1P01V7FJ [0,1,0,0,0,1|2,0,0]=4 1952 B11R1.3 CCc1ncc(cn1)C(=O)C 1P01KHBI [0,1,0,0,0,1|2,0,0]=4 1953 B11R1.3 CCc1ncc(cn1)C(=O)O 1P005FHB [0,1,0,0,0,1|1,0,0]=3 1954 B11R1.3 CCc1ncc(nc1)C(=O)O 1P009XV2 [0,1,0,0,0,1|1,0,0]=3 1955 B11R1.3 CNc1ccc(cc1)C(=O)C 1P0025F6 [0,1,0,0,0,1|2,0,0]=4 1956 B11R1.3 CNc1ccc(cc1)C(=O)N 1P019WQV [0,1,0,0,0,1|2,0,0]=4 1957 B11R1.3 CNc1ccc(cc1)C(=O)O 1P0034A9 [0,1,0,0,0,1|1,0,0]=3 1958 B11R1.3 CNc1ccc(cn1)C(=O)N 1P00F0OP [0,1,0,0,0,1|2,0,0]=4 1959 B11R1.3 CNc1ccc(cn1)C(=O)O 1P002STV [0,1,0,0,0,1|1,0,0]=3 1960 B11R1.3 CNc1ccc(nc1)C(=O)N 1P028WIK [0,1,0,0,0,1|2,0,0]=4 1961 B11R1.3 CNc1ccc(nc1)C(=O)O 1P01BS2M [0,1,0,0,0,1|1,0,0]=3 1962 B11R1.3 CNc1ncc(cn1)C(=O)O 1P00D8W5 [0,1,0,0,0,1|1,0,0]=3 1963 B11R1.3 CNc1ncc(nc1)C(=O)O 1P01C41N [0,1,0,0,0,1|1,0,0]=3 1964 B11R1.3 COc1ccc(cc1)C(=O)C 1P0000MP [0,1,0,0,0,1|2,0,0]=4 1965 B11R1.3 COc1ccc(cc1)C(=O)Cl 1P0000MO [0,1,0,0,0,1|2,0,0]=4 1966 B11R1.3 COc1ccc(cc1)C(=O)F 1P005XYX [0,1,0,0,0,1|2,0,0]=4 1967 B11R1.3 COc1ccc(cc1)C(=O)N 1P0034JZ [0,1,0,0,0,1|2,0,0]=4 1968 B11R1.3 COc1ccc(cc1)C(=O)O 1P0000MN [0,1,0,0,0,1|1,0,0]=3 1969 B11R1.3 COc1ccc(cn1)C(=O)C 1P003MSG [0,1,0,0,0,1|2,0,0]=4 1970 B11R1.3 COc1ccc(cn1)C(=O)Cl 1P007RDG [0,1,0,0,0,1|2,0,0]=4 1971 B11R1.3 COc1ccc(cn1)C(=O)N 1P003NQK [0,1,0,0,0,1|2,0,0]=4 1972 B11R1.3 COc1ccc(cn1)C(=O)O 1P003NQL [0,1,0,0,0,1|1,0,0]=3 1973 B11R1.3 COc1ccc(nc1)C(=O)C 1P00CIT8 [0,1,0,0,0,1|2,0,0]=4 1974 B11R1.3 COc1ccc(nc1)C(=O)O 1P002XQT [0,1,0,0,0,1|1,0,0]=3 1975 B11R1.3 COc1ccc(nc1)C(=O)O 1P01AC81 [0,1,0,0,0,1|1,0,0]=3 1976 B11R1.3 COc1ccc(nn1)C(=O)O 1P0037OF [0,1,0,0,0,1|2,0,0]=4 1977 B11R1.3 COc1cnc(nc1)C(=O)O 1P00D5CP [0,1,0,0,0,1|2,0,0]=4 1978 B11R1.3 COc1ncc(cn1)C(=O)C 1P01FPEI [0,1,0,0,0,1|2,0,0]=4 1979 B11R1.3 COc1ncc(cn1)C(=O)O 1P007G5O [0,1,0,0,0,1|1,0,0]=3 1980 B11R1.3 COc1ncc(nc1)C(=O)C 1P00CMKY [0,1,0,0,0,1|2,0,0]=4 1981 B11R1.3 COc1ncc(nc1)C(=O)O 1P00C79R [0,1,0,0,0,1|1,0,0]=3 1982 B11R1.3 CSc1ccc(cc1)C(=O)C 1P007UQ4 [0,1,0,0,0,1|2,0,0]=4 1983 B11R1.3 CSc1ccc(cc1)C(=O)O 1P0010L0 [0,1,0,0,0,1|1,0,0]=3 1984 B11R1.3 CSc1ccc(cn1)C(=O)C 1P005664 [0,1,0,0,0,1|2,0,0]=4 1985 B11R1.3 CSc1ccc(cn1)C(=O)O 1P01AAO8 [0,1,0,0,0,1|1,0,0]=3 1986 B11R1.3 CSc1ncc(cn1)C(=O)C 1P004SCU [0,1,0,0,0,1|2,0,0]=4 1987 B11R1.3 CSc1ncc(cn1)C(=O)O 1P007EI4 [0,1,0,0,0,1|1,0,0]=3 1988 B11R1.3 ClCc1ccc(cc1)C(=O)C 1P01AJ2Y [0,1,0,0,0,1|2,0,0]=4 1989 B11R1.3 ClCc1ccc(cc1)C(=O)Cl 1P003KNI [0,1,0,0,0,1|2,0,0]=4 1990 B11R1.3 ClCc1ccc(cc1)C(=O)N 1P0038VC [0,1,0,0,0,1|2,0,0]=4 1991 B11R1.3 ClCc1ccc(cc1)C(=O)O 1P001V6G [0,1,0,0,0,1|1,0,0]=3 1992 B11R1.3 ClCc1ccc(cn1)C(=O)O 1P001G0R [0,1,0,0,0,1|1,0,0]=3 1993 B11R1.3 FCc1ccc(cc1)C(=O)O 1P000JF8 [0,1,0,0,0,1|1,0,0]=3 1994 B11R1.3 FCc1ccc(cn1)C(=O)O 1P0081QD [0,1,0,0,0,1|1,0,0]=3 1995 B11R1.3 N#Cc1ccc(cc1)C(=O)O 1P0037F6 [0,1,0,0,0,1|1,0,1]=4 1996 B11R1.3 N#Cc1ccc(cn1)C(=O)O 1P003724 [0,1,0,0,0,1|1,0,1]=4 1997 B11R1.3 N#Cc1ccc(nc1)C(=O)O 1P00DAX1 [0,1,0,0,0,1|1,0,1]=4 1998 B11R1.3 N#Cc1ncc(cn1)C(=O)O 1P0096CC [0,1,0,0,0,1|1,0,1]=4 1999 B11R1.3 N#Cc1ncc(nc1)C(=O)O 1P009I3D [0,1,0,0,0,1|1,0,1]=4 2000 B11R1.3 N#[N+]c1ccc(cc1)C(=O)O 1P0034FL [0,1,0,0,0,1|2,0,0]=4 2001 B11R1.3 NCc1ccc(cc1)C(=O)C 1P00FB6Q [0,1,0,0,0,1|2,0,0]=4 2002 B11R1.3 NCc1ccc(cc1)C(=O)N 1P0039CY [0,1,0,0,0,1|2,0,0]=4 2003 B11R1.3 NCc1ccc(cc1)C(=O)N 1P00I7RK [0,1,0,0,0,1|2,0,0]=4 2004 B11R1.3 NCc1ccc(cc1)C(=O)O 1P003KMG [0,1,0,0,0,1|1,0,0]=3 2005 B11R1.3 NCc1ccc(cn1)C(=O)O 1P008OQL [0,1,0,0,0,1|1,0,0]=3 2006 B11R1.3 NCc1ccc(nc1)C(=O)N 1P00BB6V [0,1,0,0,0,1|2,0,0]=4 2007 B11R1.3 NCc1ccc(nc1)C(=O)O 1P00DJVB [0,1,0,0,0,1|1,0,0]=3 2008 B11R1.3 NCc1ccc(nc1)C(=O)O 1P01ELZB [0,1,0,0,0,1|1,0,0]=3 2009 B11R1.3 NCc1ccc(nc1)C(=O)O 1P028DA2 [0,1,0,0,0,1|1,0,0]=3 2010 B11R1.3 NCc1ncc(cn1)C(=O)O 1P01BYCK [0,1,0,0,0,1|1,0,0]=3 2011 B11R1.3 NCc1ncc(nc1)C(=O)O 1P0292RS [0,1,0,0,0,1|1,0,0]=3 2012 B11R1.3 NNc1ccc(cc1)C(=O)O 1P002P51 [0,1,0,0,0,1|2,0,0]=4 2013 B11R1.3 NNc1ccc(cc1)C(=O)O 1P003LXW [0,1,0,0,0,1|2,0,0]=4 2014 B11R1.3 NNc1ccc(cn1)C(=O)O 1P0014OO [0,1,0,0,0,1|2,0,0]=4 2015 B11R1.3 NNc1ccc(cn1)C(=O)O 1P01A3YW [0,1,0,0,0,1|2,0,0]=4 2016 B11R1.3 NNc1ccc(nc1)C(=O)O 1P01AUW1 [0,1,0,0,0,1|2,0,0]=4 2017 B11R1.3 NNc1ccc(nc1)C(=O)O 1P01FLEX [0,1,0,0,0,1|2,0,0]=4 2018 B11R1.3 O=Cc1ccc(cc1)C(=O)O 1P003LX6 [0,1,0,0,0,1|1,0,1]=4 2019 B11R1.3 O=Cc1ccc(cn1)C(=O)O 1P00F4HL [0,1,0,0,0,1|1,0,1]=4 2020 B11R1.3 O=Cc1ccc(nc1)C(=O)O 1P00DLWZ [0,1,0,0,0,1|1,0,1]=4 2021 B11R1.3 OCc1ccc(cc1)C(=O)C 1P0038X2 [0,1,0,0,0,1|2,0,0]=4 2022 B11R1.3 OCc1ccc(cc1)C(=O)N 1P004L66 [0,1,0,0,0,1|2,0,0]=4 2023 B11R1.3 OCc1ccc(cc1)C(=O)O 1P003KP9 [0,1,0,0,0,1|1,0,0]=3 2024 B11R1.3 OCc1ccc(cn1)C(=O)O 1P008PC8 [0,1,0,0,0,1|1,0,0]=3 2025 B11R1.3 OCc1ccc(nc1)C(=O)N 1P003B1Q [0,1,0,0,0,1|2,0,0]=4 2026 B11R1.3 OCc1ccc(nc1)C(=O)O 1P003ALO [0,1,0,0,0,1|1,0,0]=3 2027 B11R1.3 OCc1ccc(nc1)C(=O)O 1P01FKMW [0,1,0,0,0,1|1,0,0]=3 2028 B11R1.3 OCc1ccc(nn1)C(=O)O 1P028RZG [0,1,0,0,0,1|2,0,0]=4 2029 B11R1.3 OCc1ncc(cn1)C(=O)O 1P0286DS [0,1,0,0,0,1|1,0,0]=3 2030 B11R1.3 OCc1ncc(nc1)C(=O)N 1P003MOA [0,1,0,0,0,1|2,0,0]=4 2031 B11R1.3 ONc1ccc(cc1)C(=O)O 1P00118X [0,1,0,0,0,1|2,0,0]=4 2032 B11R1.3 SCc1ccc(cc1)C(=O)O 1P0076ZS [0,1,0,0,0,1|1,0,0]=3 2033 B11R1.19 Cc1ccc(cc1)P(=O)(O)O 1P007D9D [0,1,0,0,0,1|2,0,0]=4 2034 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P000HO3 [0,1,0,0,0,1|2,0,0]=4 2035 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0011W5 [0,1,0,0,0,1|2,0,0]=4 2036 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P001QLP [0,1,0,0,0,1|2,0,0]=4 2037 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P001XBH [0,1,0,0,0,1|2,0,0]=4 2038 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0029XB [0,1,0,0,0,1|2,0,0]=4 2039 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P002K63 [0,1,0,0,0,1|2,0,0]=4 2040 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0030CU [0,1,0,0,0,1|2,0,0]=4 2041 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0035AU [0,1,0,0,0,1|2,0,0]=4 2042 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P003601 [0,1,0,0,0,1|2,0,0]=4 2043 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0037LK [0,1,0,0,0,1|2,0,0]=4 2044 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00388U [0,1,0,0,0,1|2,0,0]=4 2045 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P003AS7 [0,1,0,0,0,1|2,0,0]=4 2046 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P003CY5 [0,1,0,0,0,1|2,0,0]=4 2047 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P003RUM [0,1,0,0,0,1|2,0,0]=4 2048 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P004F6U [0,1,0,0,0,1|2,0,0]=4 2049 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0079G7 [0,1,0,0,0,1|2,0,0]=4 2050 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P007WV1 [0,1,0,0,0,1|2,0,0]=4 2051 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0086CM [0,1,0,0,0,1|2,0,0]=4 2052 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P008FJI [0,1,0,0,0,1|2,0,0]=4 2053 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0097XB [0,1,0,0,0,1|2,0,0]=4 2054 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00AAD9 [0,1,0,0,0,1|2,0,0]=4 2055 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00AO4U [0,1,0,0,0,1|2,0,0]=4 2056 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00C6U5 [0,1,0,0,0,1|2,0,0]=4 2057 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00GUAX [0,1,0,0,0,1|2,0,0]=4 2058 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00HYE3 [0,1,0,0,0,1|2,0,0]=4 2059 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00HYE5 [0,1,0,0,0,1|2,0,0]=4 2060 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00I7E6 [0,1,0,0,0,1|2,0,0]=4 2061 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00IAZN [0,1,0,0,0,1|2,0,0]=4 2062 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00IHFC [0,1,0,0,0,1|2,0,0]=4 2063 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P00IHMT [0,1,0,0,0,1|2,0,0]=4 2064 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01AMBU [0,1,0,0,0,1|2,0,0]=4 2065 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01B4DT [0,1,0,0,0,1|2,0,0]=4 2066 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01B9WX [0,1,0,0,0,1|2,0,0]=4 2067 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01EJ9L [0,1,0,0,0,1|2,0,0]=4 2068 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01FLET [0,1,0,0,0,1|2,0,0]=4 2069 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01JI0F [0,1,0,0,0,1|2,0,0]=4 2070 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01JVHH [0,1,0,0,0,1|2,0,0]=4 2071 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01JW8O [0,1,0,0,0,1|2,0,0]=4 2072 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01KA4Q [0,1,0,0,0,1|2,0,0]=4 2073 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01S78U [0,1,0,0,0,1|2,0,0]=4 2074 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01XABD [0,1,0,0,0,1|2,0,0]=4 2075 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P01Z9RG [0,1,0,0,0,1|2,0,0]=4 2076 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P020KL2 [0,1,0,0,0,1|2,0,0]=4 2077 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P02233W [0,1,0,0,0,1|2,0,0]=4 2078 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P023JAF [0,1,0,0,0,1|2,0,0]=4 2079 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P027Q31 [0,1,0,0,0,1|2,0,0]=4 2080 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P027VP7 [0,1,0,0,0,1|2,0,0]=4 2081 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P027VRQ [0,1,0,0,0,1|2,0,0]=4 2082 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P027VU1 [0,1,0,0,0,1|2,0,0]=4 2083 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P027YP9 [0,1,0,0,0,1|2,0,0]=4 2084 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P027ZKL [0,1,0,0,0,1|2,0,0]=4 2085 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0283HV [0,1,0,0,0,1|2,0,0]=4 2086 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P028IH0 [0,1,0,0,0,1|2,0,0]=4 2087 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P028LE0 [0,1,0,0,0,1|2,0,0]=4 2088 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P028OAK [0,1,0,0,0,1|2,0,0]=4 2089 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P028QDY [0,1,0,0,0,1|2,0,0]=4 2090 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P028U5F [0,1,0,0,0,1|2,0,0]=4 2091 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P028Y48 [0,1,0,0,0,1|2,0,0]=4 2092 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 1P0293QZ [0,1,0,0,0,1|2,0,0]=4 2093 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O 1P00DEUM [0,1,0,0,0,1|2,0,0]=4 2094 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1P003J92 [0,1,0,0,0,1|2,0,0]=4 2095 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1P0033ZE [0,1,0,0,0,1|2,0,0]=4 2096 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1P00IGR2 [0,1,0,0,0,1|2,0,0]=4 2097 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1P003DDN [0,1,0,0,0,1|2,0,0]=4 2098 B11R1.21 CC(=O)c1ccc(c(c1)N)C 1P007URY [0,1,0,0,0,1|2,0,0]=4 2099 B11R1.21 CC(=O)c1ccc(c(c1)N)C 1P00J3QI [0,1,0,0,0,1|2,0,0]=4 2100 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1P00399H [0,1,0,0,0,1|2,0,0]=4 2101 B11R1.21 CC(=O)c1cnc(c(c1)C)C 1P01FLOB [0,1,0,0,0,1|2,0,0]=4 2102 B11R1.21 CC(=O)c1ncc(c(c1)Cl)C 1P028FPJ [0,1,0,0,0,1|2,0,0]=4 2103 B11R1.21 Cc1c[nH]c(cc1=O)C(=O)O 1P019ZO1 [0,1,0,0,0,1|1,0,0]=3 2104 B11R1.21 ClC(=O)c1ccc(c(c1)F)C 1P003JX0 [0,1,0,0,0,1|2,0,0]=4 2105 B11R1.21 ClC(=O)c1ccc(c(c1)I)C 1P00D9FC [0,1,0,0,0,1|2,0,0]=4 2106 B11R1.21 Cn1cnc(cc1=O)C(=O)O 1P01B5KR [0,1,0,0,0,1|2,0,0]=4 2107 B11R1.21 Cn1ncc(cc1=O)C(=O)O 1P01XDIM [0,1,0,0,0,1|2,0,0]=4 2108 B11R1.21 NC(=O)c1ccc(c(c1)Br)C 1P0076LT [0,1,0,0,0,1|2,0,0]=4 2109 B11R1.21 NC(=O)c1ccc(c(c1)C)C 1P003IZ8 [0,1,0,0,0,1|2,0,0]=4 2110 B11R1.21 NC(=O)c1ccc(c(c1)F)C 1P00AUV1 [0,1,0,0,0,1|2,0,0]=4 2111 B11R1.21 NC(=O)c1ccc(c(c1)N)C 1P003JCH [0,1,0,0,0,1|2,0,0]=4 2112 B11R1.21 NC(=O)c1ccc(c(c1)O)C 1P007LPN [0,1,0,0,0,1|2,0,0]=4 2113 B11R1.21 NC(=O)c1cnc(c(c1)C)C 1P01FGDT [0,1,0,0,0,1|2,0,0]=4 2114 B11R1.21 NC(=O)c1ncc(c(c1)Br)C 1P00247A [0,1,0,0,0,1|2,0,0]=4 2115 B11R1.21 NC(=O)c1ncc(c(c1)Cl)C 1P01A6WH [0,1,0,0,0,1|2,0,0]=4 2116 B11R1.21 OC(=O)c1[nH]cc(c(=O)c1)O 1P00DICL [0,1,0,0,0,1|2,0,0]=4 2117 B11R1.21 OC(=O)c1c[nH]c(=O)c(=O)[nH]1 1P00G7I0 [0,1,0,0,0,1|2,0,0]=4 2118 B11R1.21 OC(=O)c1c[nH]c(=O)c(c1)C 1P006QG9 [0,1,0,0,0,1|2,0,0]=4 2119 B11R1.21 OC(=O)c1c[nH]c(=O)c(c1)O 1P00GA75 [0,1,0,0,0,1|2,0,0]=4 2120 B11R1.21 OC(=O)c1c[nH]c(=O)c(n1)C 1P0055Y3 [0,1,0,0,0,1|2,0,0]=4 2121 B11R1.21 OC(=O)c1ccc(=O)n(c1)C 1P003EZ1 [0,1,0,0,0,1|2,0,0]=4 2122 B11R1.21 OC(=O)c1ccc(c(=O)[nH]1)Br 1P0015F3 [0,1,0,0,0,1|2,0,0]=4 2123 B11R1.21 OC(=O)c1ccc(c(=O)[nH]1)C 1P000GUZ [0,1,0,0,0,1|1,0,0]=3 2124 B11R1.21 OC(=O)c1ccc(c(=O)[nH]1)Cl 1P008ZL5 [0,1,0,0,0,1|2,0,0]=4 2125 B11R1.21 OC(=O)c1ccc(c(=O)[nH]1)O 1P01EAJN [0,1,0,0,0,1|2,0,0]=4 2126 B11R1.21 OC(=O)c1ccc(c(=O)o1)O 1P028VVR [0,1,0,0,0,1|2,0,0]=4 2127 B11R1.21 OC(=O)c1ccc(c(c1)Br)Br 1P00ECY9 [0,1,0,0,0,1|2,0,0]=4 2128 B11R1.21 OC(=O)c1ccc(c(c1)Br)C 1P003JIY [0,1,0,0,0,1|1,0,0]=3 2129 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl 1P003JI5 [0,1,0,0,0,1|2,0,0]=4 2130 B11R1.21 OC(=O)c1ccc(c(c1)Br)F 1P00034B [0,1,0,0,0,1|2,0,0]=4 2131 B11R1.21 OC(=O)c1ccc(c(c1)Br)I 1P002QH9 [0,1,0,0,0,1|2,0,0]=4 2132 B11R1.21 OC(=O)c1ccc(c(c1)Br)N 1P00E9SH [0,1,0,0,0,1|2,0,0]=4 2133 B11R1.21 OC(=O)c1ccc(c(c1)Br)O 1P0038R0 [0,1,0,0,0,1|2,0,0]=4 2134 B11R1.21 OC(=O)c1ccc(c(c1)Br)S 1P01BL0E [0,1,0,0,0,1|2,0,0]=4 2135 B11R1.21 OC(=O)c1ccc(c(c1)C)Br 1P003LF0 [0,1,0,0,0,1|2,0,0]=4 2136 B11R1.21 OC(=O)c1ccc(c(c1)C)C 1P0033ZG [0,1,0,0,0,1|1,0,0]=3 2137 B11R1.21 OC(=O)c1ccc(c(c1)C)Cl 1P0057R0 [0,1,0,0,0,1|2,0,0]=4 2138 B11R1.21 OC(=O)c1ccc(c(c1)C)F 1P003LUY [0,1,0,0,0,1|2,0,0]=4 2139 B11R1.21 OC(=O)c1ccc(c(c1)C)I 1P00D979 [0,1,0,0,0,1|2,0,0]=4 2140 B11R1.21 OC(=O)c1ccc(c(c1)C)N 1P002Q50 [0,1,0,0,0,1|2,0,0]=4 2141 B11R1.21 OC(=O)c1ccc(c(c1)C)O 1P003LYS [0,1,0,0,0,1|2,0,0]=4 2142 B11R1.21 OC(=O)c1ccc(c(c1)Cl)Br 1P007OML [0,1,0,0,0,1|2,0,0]=4 2143 B11R1.21 OC(=O)c1ccc(c(c1)Cl)C 1P00344H [0,1,0,0,0,1|1,0,0]=3 2144 B11R1.21 OC(=O)c1ccc(c(c1)Cl)Cl 1P003IWQ [0,1,0,0,0,1|2,0,0]=4 2145 B11R1.21 OC(=O)c1ccc(c(c1)Cl)F 1P003JOO [0,1,0,0,0,1|2,0,0]=4 2146 B11R1.21 OC(=O)c1ccc(c(c1)Cl)I 1P00F1UF [0,1,0,0,0,1|2,0,0]=4 2147 B11R1.21 OC(=O)c1ccc(c(c1)Cl)N 1P002Q4Z [0,1,0,0,0,1|2,0,0]=4 2148 B11R1.21 OC(=O)c1ccc(c(c1)Cl)O 1P0078JT [0,1,0,0,0,1|2,0,0]=4 2149 B11R1.21 OC(=O)c1ccc(c(c1)Cl)S 1P01A9BV [0,1,0,0,0,1|2,0,0]=4 2150 B11R1.21 OC(=O)c1ccc(c(c1)F)Br 1P0034EF [0,1,0,0,0,1|2,0,0]=4 2151 B11R1.21 OC(=O)c1ccc(c(c1)F)C 1P00345X [0,1,0,0,0,1|1,0,0]=3 2152 B11R1.21 OC(=O)c1ccc(c(c1)F)Cl 1P003LLC [0,1,0,0,0,1|2,0,0]=4 2153 B11R1.21 OC(=O)c1ccc(c(c1)F)F 1P003IXM [0,1,0,0,0,1|2,0,0]=4 2154 B11R1.21 OC(=O)c1ccc(c(c1)F)I 1P00G3NW [0,1,0,0,0,1|2,0,0]=4 2155 B11R1.21 OC(=O)c1ccc(c(c1)F)N 1P003L65 [0,1,0,0,0,1|2,0,0]=4 2156 B11R1.21 OC(=O)c1ccc(c(c1)F)O 1P00BY6U [0,1,0,0,0,1|2,0,0]=4 2157 B11R1.21 OC(=O)c1ccc(c(c1)F)S 1P01C4XB [0,1,0,0,0,1|2,0,0]=4 2158 B11R1.21 OC(=O)c1ccc(c(c1)I)Br 1P0071T3 [0,1,0,0,0,1|2,0,0]=4 2159 B11R1.21 OC(=O)c1ccc(c(c1)I)C 1P003K20 [0,1,0,0,0,1|1,0,0]=3 2160 B11R1.21 OC(=O)c1ccc(c(c1)I)Cl 1P00BXRX [0,1,0,0,0,1|2,0,0]=4 2161 B11R1.21 OC(=O)c1ccc(c(c1)I)F 1P00C7DV [0,1,0,0,0,1|2,0,0]=4 2162 B11R1.21 OC(=O)c1ccc(c(c1)I)I 1P007AC2 [0,1,0,0,0,1|2,0,0]=4 2163 B11R1.21 OC(=O)c1ccc(c(c1)I)N 1P003L69 [0,1,0,0,0,1|2,0,0]=4 2164 B11R1.21 OC(=O)c1ccc(c(c1)I)O 1P003LYE [0,1,0,0,0,1|2,0,0]=4 2165 B11R1.21 OC(=O)c1ccc(c(c1)N)Br 1P007L55 [0,1,0,0,0,1|2,0,0]=4 2166 B11R1.21 OC(=O)c1ccc(c(c1)N)C 1P003JCI [0,1,0,0,0,1|1,0,0]=3 2167 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl 1P003JBX [0,1,0,0,0,1|2,0,0]=4 2168 B11R1.21 OC(=O)c1ccc(c(c1)N)F 1P002OHW [0,1,0,0,0,1|2,0,0]=4 2169 B11R1.21 OC(=O)c1ccc(c(c1)N)I 1P006WOP [0,1,0,0,0,1|2,0,0]=4 2170 B11R1.21 OC(=O)c1ccc(c(c1)N)N 1P003IW4 [0,1,0,0,0,1|2,0,0]=4 2171 B11R1.21 OC(=O)c1ccc(c(c1)N)O 1P001PO4 [0,1,0,0,0,1|2,0,0]=4 2172 B11R1.21 OC(=O)c1ccc(c(c1)N)O 1P00IMR2 [0,1,0,0,0,1|2,0,0]=4 2173 B11R1.21 OC(=O)c1ccc(c(c1)O)Br 1P003LEY [0,1,0,0,0,1|2,0,0]=4 2174 B11R1.21 OC(=O)c1ccc(c(c1)O)C 1P003K0K [0,1,0,0,0,1|1,0,0]=3 2175 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl 1P003LLI [0,1,0,0,0,1|2,0,0]=4 2176 B11R1.21 OC(=O)c1ccc(c(c1)O)F 1P003LUU [0,1,0,0,0,1|2,0,0]=4 2177 B11R1.21 OC(=O)c1ccc(c(c1)O)I 1P003K0B [0,1,0,0,0,1|2,0,0]=4 2178 B11R1.21 OC(=O)c1ccc(c(c1)O)N 1P0034D0 [0,1,0,0,0,1|2,0,0]=4 2179 B11R1.21 OC(=O)c1ccc(c(c1)O)O 1P003IYB [0,1,0,0,0,1|2,0,0]=4 2180 B11R1.21 OC(=O)c1ccc(c(c1)S)F 1P01ALB7 [0,1,0,0,0,1|2,0,0]=4 2181 B11R1.21 OC(=O)c1ccc(c(c1)S)N 1P001DID [0,1,0,0,0,1|2,0,0]=4 2182 B11R1.21 OC(=O)c1ccc(c(c1)S)S 1P027UWL [0,1,0,0,0,1|2,0,0]=4 2183 B11R1.21 OC(=O)c1ccc(c(n1)Br)Br 1P0093F0 [0,1,0,0,0,1|2,0,0]=4 2184 B11R1.21 OC(=O)c1ccc(c(n1)Br)C 1P003AMA [0,1,0,0,0,1|1,0,0]=3 2185 B11R1.21 OC(=O)c1ccc(c(n1)Br)Cl 1P001586 [0,1,0,0,0,1|2,0,0]=4 2186 B11R1.21 OC(=O)c1ccc(c(n1)Br)F 1P0034T1 [0,1,0,0,0,1|2,0,0]=4 2187 B11R1.21 OC(=O)c1ccc(c(n1)Br)N 1P01A4VU [0,1,0,0,0,1|2,0,0]=4 2188 B11R1.21 OC(=O)c1ccc(c(n1)C)Br 1P0014AI [0,1,0,0,0,1|2,0,0]=4 2189 B11R1.21 OC(=O)c1ccc(c(n1)C)C 1P004THY [0,1,0,0,0,1|1,0,0]=3 2190 B11R1.21 OC(=O)c1ccc(c(n1)C)F 1P0002RJ [0,1,0,0,0,1|2,0,0]=4 2191 B11R1.21 OC(=O)c1ccc(c(n1)Cl)Br 1P006U7G [0,1,0,0,0,1|2,0,0]=4 2192 B11R1.21 OC(=O)c1ccc(c(n1)Cl)C 1P000DG8 [0,1,0,0,0,1|1,0,0]=3 2193 B11R1.21 OC(=O)c1ccc(c(n1)Cl)Cl 1P008AME [0,1,0,0,0,1|2,0,0]=4 2194 B11R1.21 OC(=O)c1ccc(c(n1)Cl)F 1P003NMP [0,1,0,0,0,1|2,0,0]=4 2195 B11R1.21 OC(=O)c1ccc(c(n1)Cl)N 1P01A4S2 [0,1,0,0,0,1|2,0,0]=4 2196 B11R1.21 OC(=O)c1ccc(c(n1)Cl)O 1P00CHPM [0,1,0,0,0,1|2,0,0]=4 2197 B11R1.21 OC(=O)c1ccc(c(n1)F)Br 1P01BELX [0,1,0,0,0,1|2,0,0]=4 2198 B11R1.21 OC(=O)c1ccc(c(n1)F)C 1P00HGEM [0,1,0,0,0,1|1,0,0]=3 2199 B11R1.21 OC(=O)c1ccc(c(n1)F)Cl 1P01B8EM [0,1,0,0,0,1|2,0,0]=4 2200 B11R1.21 OC(=O)c1ccc(c(n1)F)F 1P008GOU [0,1,0,0,0,1|2,0,0]=4 2201 B11R1.21 OC(=O)c1ccc(c(n1)F)N 1P021W2M [0,1,0,0,0,1|2,0,0]=4 2202 B11R1.21 OC(=O)c1ccc(c(n1)N)Br 1P0017B4 [0,1,0,0,0,1|2,0,0]=4 2203 B11R1.21 OC(=O)c1ccc(c(n1)N)Cl 1P01FT47 [0,1,0,0,0,1|2,0,0]=4 2204 B11R1.21 OC(=O)c1ccc(c(n1)N)N 1P01AEJP [0,1,0,0,0,1|2,0,0]=4 2205 B11R1.21 OC(=O)c1ccc(c(n1)N)O 1P00ELE9 [0,1,0,0,0,1|2,0,0]=4 2206 B11R1.21 OC(=O)c1ccc(c(n1)N)O 1P01B88A [0,1,0,0,0,1|2,0,0]=4 2207 B11R1.21 OC(=O)c1ccn(c(=O)c1)C 1P003EY3 [0,1,0,0,0,1|2,0,0]=4 2208 B11R1.21 OC(=O)c1cnc(c(c1)Br)Br 1P002Y9W [0,1,0,0,0,1|2,0,0]=4 2209 B11R1.21 OC(=O)c1cnc(c(c1)Br)C 1P000ILR [0,1,0,0,0,1|1,0,0]=3 2210 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl 1P002Y9Y [0,1,0,0,0,1|2,0,0]=4 2211 B11R1.21 OC(=O)c1cnc(c(c1)Br)F 1P002Y9X [0,1,0,0,0,1|2,0,0]=4 2212 B11R1.21 OC(=O)c1cnc(c(c1)Br)N 1P0022E6 [0,1,0,0,0,1|2,0,0]=4 2213 B11R1.21 OC(=O)c1cnc(c(c1)Br)O 1P0071W6 [0,1,0,0,0,1|2,0,0]=4 2214 B11R1.21 OC(=O)c1cnc(c(c1)C)Br 1P00H4Z9 [0,1,0,0,0,1|2,0,0]=4 2215 B11R1.21 OC(=O)c1cnc(c(c1)C)C 1P00371M [0,1,0,0,0,1|1,0,0]=3 2216 B11R1.21 OC(=O)c1cnc(c(c1)C)C 1P00J2VJ [0,1,0,0,0,1|1,0,0]=3 2217 B11R1.21 OC(=O)c1cnc(c(c1)C)Cl 1P00FD39 [0,1,0,0,0,1|2,0,0]=4 2218 B11R1.21 OC(=O)c1cnc(c(c1)C)F 1P008A6W [0,1,0,0,0,1|2,0,0]=4 2219 B11R1.21 OC(=O)c1cnc(c(c1)C)N 1P001XZ1 [0,1,0,0,0,1|2,0,0]=4 2220 B11R1.21 OC(=O)c1cnc(c(c1)Cl)Br 1P01AG85 [0,1,0,0,0,1|2,0,0]=4 2221 B11R1.21 OC(=O)c1cnc(c(c1)Cl)C 1P01FBCS [0,1,0,0,0,1|1,0,0]=3 2222 B11R1.21 OC(=O)c1cnc(c(c1)Cl)Cl 1P0034MU [0,1,0,0,0,1|2,0,0]=4 2223 B11R1.21 OC(=O)c1cnc(c(c1)Cl)F 1P00CAO0 [0,1,0,0,0,1|2,0,0]=4 2224 B11R1.21 OC(=O)c1cnc(c(c1)Cl)N 1P00CLOZ [0,1,0,0,0,1|2,0,0]=4 2225 B11R1.21 OC(=O)c1cnc(c(c1)Cl)O 1P003N4Y [0,1,0,0,0,1|2,0,0]=4 2226 B11R1.21 OC(=O)c1cnc(c(c1)F)Br 1P00CAO1 [0,1,0,0,0,1|2,0,0]=4 2227 B11R1.21 OC(=O)c1cnc(c(c1)F)C 1P01CDB8 [0,1,0,0,0,1|1,0,0]=3 2228 B11R1.21 OC(=O)c1cnc(c(c1)F)Cl 1P00C81P [0,1,0,0,0,1|2,0,0]=4 2229 B11R1.21 OC(=O)c1cnc(c(c1)F)F 1P003MQK [0,1,0,0,0,1|2,0,0]=4 2230 B11R1.21 OC(=O)c1cnc(c(c1)F)O 1P00AEQO [0,1,0,0,0,1|2,0,0]=4 2231 B11R1.21 OC(=O)c1cnc(c(c1)I)Cl 1P003NMQ [0,1,0,0,0,1|2,0,0]=4 2232 B11R1.21 OC(=O)c1cnc(c(c1)I)N 1P00DKLB [0,1,0,0,0,1|2,0,0]=4 2233 B11R1.21 OC(=O)c1cnc(c(c1)I)O 1P00CLSA [0,1,0,0,0,1|2,0,0]=4 2234 B11R1.21 OC(=O)c1cnc(c(c1)N)Br 1P01L09Y [0,1,0,0,0,1|2,0,0]=4 2235 B11R1.21 OC(=O)c1cnc(c(c1)N)C 1P0065IA [0,1,0,0,0,1|1,0,0]=3 2236 B11R1.21 OC(=O)c1cnc(c(c1)N)C 1P028TDB [0,1,0,0,0,1|1,0,0]=3 2237 B11R1.21 OC(=O)c1cnc(c(c1)N)Cl 1P00FCP9 [0,1,0,0,0,1|2,0,0]=4 2238 B11R1.21 OC(=O)c1cnc(c(c1)N)N 1P00C4UN [0,1,0,0,0,1|2,0,0]=4 2239 B11R1.21 OC(=O)c1cnc(c(c1)O)Br 1P0015WA [0,1,0,0,0,1|2,0,0]=4 2240 B11R1.21 OC(=O)c1cnc(c(c1)O)I 1P00EDFQ [0,1,0,0,0,1|2,0,0]=4 2241 B11R1.21 OC(=O)c1cnc(c(c1)O)N 1P0283N6 [0,1,0,0,0,1|2,0,0]=4 2242 B11R1.21 OC(=O)c1cnc(c(n1)Br)Cl 1P01CAQ8 [0,1,0,0,0,1|2,0,0]=4 2243 B11R1.21 OC(=O)c1cnc(c(n1)Br)N 1P0046ON [0,1,0,0,0,1|2,0,0]=4 2244 B11R1.21 OC(=O)c1cnc(c(n1)C)C 1P006ZTP [0,1,0,0,0,1|1,0,0]=3 2245 B11R1.21 OC(=O)c1cnc(c(n1)C)Cl 1P01E3YW [0,1,0,0,0,1|2,0,0]=4 2246 B11R1.21 OC(=O)c1cnc(c(n1)Cl)Cl 1P00G7GO [0,1,0,0,0,1|2,0,0]=4 2247 B11R1.21 OC(=O)c1cnc(c(n1)N)Br 1P01BJJC [0,1,0,0,0,1|2,0,0]=4 2248 B11R1.21 OC(=O)c1coc(=O)c(c1)Br 1P027ROR [0,1,0,0,0,1|1,1,0]=4 2249 B11R1.21 OC(=O)c1ncc(c(c1)Br)C 1P000PSN [0,1,0,0,0,1|1,0,0]=3 2250 B11R1.21 OC(=O)c1ncc(c(c1)C)Br 1P004AIB [0,1,0,0,0,1|2,0,0]=4 2251 B11R1.21 OC(=O)c1ncc(c(c1)C)C 1P01B266 [0,1,0,0,0,1|1,0,0]=3 2252 B11R1.21 OC(=O)c1ncc(c(c1)C)C 1P01EKMB [0,1,0,0,0,1|1,0,0]=3 2253 B11R1.21 OC(=O)c1ncc(c(c1)C)Cl 1P01K7JY [0,1,0,0,0,1|2,0,0]=4 2254 B11R1.21 OC(=O)c1ncc(c(c1)C)F 1P020MOW [0,1,0,0,0,1|2,0,0]=4 2255 B11R1.21 OC(=O)c1ncc(c(c1)C)N 1P028PP6 [0,1,0,0,0,1|2,0,0]=4 2256 B11R1.21 OC(=O)c1ncc(c(c1)Cl)Br 1P007WDM [0,1,0,0,0,1|2,0,0]=4 2257 B11R1.21 OC(=O)c1ncc(c(c1)Cl)C 1P00H1HF [0,1,0,0,0,1|1,0,0]=3 2258 B11R1.21 OC(=O)c1ncc(c(c1)Cl)Cl 1P0036DR [0,1,0,0,0,1|2,0,0]=4 2259 B11R1.21 OC(=O)c1ncc(c(c1)F)C 1P01DHSC [0,1,0,0,0,1|1,0,0]=3 2260 B11R1.21 OC(=O)c1ncc(c(c1)F)Cl 1P028ONJ [0,1,0,0,0,1|2,0,0]=4 2261 B11R1.21 OC(=O)c1ncc(c(c1)N)Br 1P009XXJ [0,1,0,0,0,1|2,0,0]=4 2262 B11R1.21 OC(=O)c1ncc(c(c1)N)Cl 1P028143 [0,1,0,0,0,1|2,0,0]=4 2263 B11R1.21 OC(=O)c1ncc(c(c1)N)F 1P028N1Q [0,1,0,0,0,1|2,0,0]=4 2264 B11R1.21 OC(=O)c1ncc(c(c1)O)Br 1P01ELL7 [0,1,0,0,0,1|2,0,0]=4 2265 B11R1.21 OC(=O)c1ncc(c(c1)O)O 1P00J1E0 [0,1,0,0,0,1|2,0,0]=4 2266 B11R1.21 OC(=O)c1nnc(c(c1)C)C 1P02875S [0,1,0,0,0,1|2,0,0]=4 2267 B11R1.21 [O-][n+]1cc(ncc1C)C(=O)O 1P006V6G [0,1,0,0,0,1|1,0,0]=3 2268 B11R1.22 BrCC(=O)c1ccc(cc1)C 1P00E9H8 [0,1,0,0,0,1|2,0,0]=4 2269 B11R1.22 C#CC(=O)c1ccc(cc1)C 1P01B7BJ [0,1,0,0,0,1|2,0,0]=4 2270 B11R1.22 CCC(=O)c1ccc(cc1)C 1P0037SF [0,1,0,0,0,1|2,0,0]=4 2271 B11R1.22 CCC(=O)c1ccc(cn1)C 1P001P48 [0,1,0,0,0,1|2,0,0]=4 2272 B11R1.22 CNC(=O)c1ccc(cc1)C 1P00ACRR [0,1,0,0,0,1|2,0,0]=4 2273 B11R1.22 CNC(=O)c1cnc(cn1)C 1P0069WY [0,1,0,0,0,1|2,0,0]=4 2274 B11R1.22 COC(=O)c1c[nH]c(=O)cn1 1P001B10 [0,1,0,0,0,1|2,0,0]=4 2275 B11R1.22 COC(=O)c1ccc(=O)[nH]c1 1P01A8IY [0,1,0,0,0,1|2,0,0]=4 2276 B11R1.22 COC(=O)c1ccc(=O)oc1 1P00E9IR [0,1,0,0,0,1|1,1,0]=4 2277 B11R1.22 COC(=O)c1ccc(cc1)Br 1P0035O2 [0,1,0,0,0,1|2,0,0]=4 2278 B11R1.22 COC(=O)c1ccc(cc1)C 1P0035OD [0,1,0,0,0,1|1,0,0]=3 2279 B11R1.22 COC(=O)c1ccc(cc1)Cl 1P0034GL [0,1,0,0,0,1|2,0,0]=4 2280 B11R1.22 COC(=O)c1ccc(cc1)F 1P003SBZ [0,1,0,0,0,1|2,0,0]=4 2281 B11R1.22 COC(=O)c1ccc(cc1)I 1P0034JI [0,1,0,0,0,1|2,0,0]=4 2282 B11R1.22 COC(=O)c1ccc(cc1)N 1P00E930 [0,1,0,0,0,1|2,0,0]=4 2283 B11R1.22 COC(=O)c1ccc(cc1)N 1P00EJER [0,1,0,0,0,1|2,0,0]=4 2284 B11R1.22 COC(=O)c1ccc(cc1)O 1P003A3R [0,1,0,0,0,1|2,0,0]=4 2285 B11R1.22 COC(=O)c1ccc(cc1)S 1P00EFQ0 [0,1,0,0,0,1|2,0,0]=4 2286 B11R1.22 COC(=O)c1ccc(cc1)[O-] 1P0035OB [0,1,0,0,0,1|2,0,0]=4 2287 B11R1.22 COC(=O)c1ccc(cn1)Br 1P002ZJS [0,1,0,0,0,1|2,0,0]=4 2288 B11R1.22 COC(=O)c1ccc(cn1)C 1P002ZK9 [0,1,0,0,0,1|1,0,0]=3 2289 B11R1.22 COC(=O)c1ccc(cn1)Cl 1P0010Z0 [0,1,0,0,0,1|2,0,0]=4 2290 B11R1.22 COC(=O)c1ccc(cn1)Cl 1P01C8LJ [0,1,0,0,0,1|2,0,0]=4 2291 B11R1.22 COC(=O)c1ccc(cn1)F 1P0038ST [0,1,0,0,0,1|2,0,0]=4 2292 B11R1.22 COC(=O)c1ccc(cn1)I 1P01A1UU [0,1,0,0,0,1|2,0,0]=4 2293 B11R1.22 COC(=O)c1ccc(cn1)N 1P005NTC [0,1,0,0,0,1|2,0,0]=4 2294 B11R1.22 COC(=O)c1ccc(cn1)O 1P0031PA [0,1,0,0,0,1|2,0,0]=4 2295 B11R1.22 COC(=O)c1ccc(nc1)Br 1P002SRS [0,1,0,0,0,1|2,0,0]=4 2296 B11R1.22 COC(=O)c1ccc(nc1)C 1P0035P2 [0,1,0,0,0,1|1,0,0]=3 2297 B11R1.22 COC(=O)c1ccc(nc1)Cl 1P003SF3 [0,1,0,0,0,1|2,0,0]=4 2298 B11R1.22 COC(=O)c1ccc(nc1)F 1P0034TQ [0,1,0,0,0,1|2,0,0]=4 2299 B11R1.22 COC(=O)c1ccc(nc1)I 1P001Z4B [0,1,0,0,0,1|2,0,0]=4 2300 B11R1.22 COC(=O)c1ccc(nc1)N 1P003NJK [0,1,0,0,0,1|2,0,0]=4 2301 B11R1.22 COC(=O)c1ccc(nc1)O 1P003SF8 [0,1,0,0,0,1|2,0,0]=4 2302 B11R1.22 COC(=O)c1ccc(nn1)C 1P0035P3 [0,1,0,0,0,1|2,0,0]=4 2303 B11R1.22 COC(=O)c1cnc(=O)[nH]c1 1P00DIDT [0,1,0,0,0,1|2,0,0]=4 2304 B11R1.22 COC(=O)c1cnc(=O)[nH]c1 1P00I9JZ [0,1,0,0,0,1|2,0,0]=4 2305 B11R1.22 COC(=O)c1cnc(cn1)Br 1P002KZK [0,1,0,0,0,1|2,0,0]=4 2306 B11R1.22 COC(=O)c1cnc(cn1)C 1P0037XH [0,1,0,0,0,1|1,0,0]=3 2307 B11R1.22 COC(=O)c1cnc(cn1)Cl 1P0035OQ [0,1,0,0,0,1|2,0,0]=4 2308 B11R1.22 COC(=O)c1cnc(cn1)F 1P00ALWS [0,1,0,0,0,1|2,0,0]=4 2309 B11R1.22 COC(=O)c1cnc(cn1)N 1P001B11 [0,1,0,0,0,1|2,0,0]=4 2310 B11R1.22 COC(=O)c1cnc(cn1)N 1P001HME [0,1,0,0,0,1|2,0,0]=4 2311 B11R1.22 COC(=O)c1cnc(nc1)Br 1P0095NK [0,1,0,0,0,1|2,0,0]=4 2312 B11R1.22 COC(=O)c1cnc(nc1)C 1P00DDNT [0,1,0,0,0,1|1,0,0]=3 2313 B11R1.22 COC(=O)c1cnc(nc1)Cl 1P002WVW [0,1,0,0,0,1|2,0,0]=4 2314 B11R1.22 COC(=O)c1cnc(nc1)N 1P0031W9 [0,1,0,0,0,1|2,0,0]=4 2315 B11R1.22 COC(=O)c1cnc(nc1)S 1P028APM [0,1,0,0,0,1|2,0,0]=4 2316 B11R1.22 COC(=O)c1ncc(cn1)C 1P00G8JU [0,1,0,0,0,1|2,0,0]=4 2317 B11R1.22 COS(=O)c1ccc(cc1)C 1P00FEJO [0,1,0,0,0,1|2,0,0]=4 2318 B11R1.22 Cc1cnc(cn1)C(=O)CCl 1P024ULA [0,1,0,0,0,1|2,0,0]=4 2319 B11R1.22 Cc1cnc(cn1)C(=O)NN 1P00BZYB [0,1,0,0,0,1|2,0,0]=4 2320 B11R1.22 ClCC(=O)c1ccc(cc1)C 1P019IAR [0,1,0,0,0,1|2,0,0]=4 2321 B11R1.22 N#CC(=O)c1ccc(cc1)C 1P007L8C [0,1,0,0,0,1|2,0,0]=4 2322 B11R1.22 NNC(=O)c1ccc(cc1)C 1P003UHW [0,1,0,0,0,1|2,0,0]=4 2323 B11R1.22 NNC(=O)c1ccc(nc1)C 1P007RJ5 [0,1,0,0,0,1|2,0,0]=4 2324 B11R1.22 NNC(=O)c1cnc(nc1)C 1P00J2WX [0,1,0,0,0,1|2,0,0]=4 2325 B11R1.22 O=CC(=O)c1ccc(cc1)C 1P00FFWR [0,1,0,0,0,1|1,0,1]=4 2326 B11R1.22 OCC(=O)c1ccc(cc1)Br 1P007FUC [0,1,0,0,0,1|2,0,0]=4 2327 B11R1.22 OCC(=O)c1ccc(cc1)C 1P00BY5W [0,1,0,0,0,1|1,0,0]=3 2328 B11R1.22 OCC(=O)c1ccc(cc1)Cl 1P00BCDF [0,1,0,0,0,1|2,0,0]=4 2329 B11R1.22 OCC(=O)c1ccc(cc1)I 1P005DWL [0,1,0,0,0,1|2,0,0]=4 2330 B11R1.22 OCC(=O)c1ccc(cc1)O 1P00ELBV [0,1,0,0,0,1|2,0,0]=4 2331 B11R1.22 ON=C(c1ccc(cc1)C)N 1P002G97 [0,1,0,0,0,1|2,0,0]=4 2332 B11R1.22 ON=C(c1ccc(cc1)C)N 1P01EI85 [0,1,0,0,0,1|2,0,0]=4 2333 B11R1.22 ONC(=O)c1ccc(cc1)Br 1P002879 [0,1,0,0,0,1|2,0,0]=4 2334 B11R1.22 ONC(=O)c1ccc(cc1)C 1P006YUE [0,1,0,0,0,1|1,0,0]=3 2335 B11R1.22 ONC(=O)c1ccc(cc1)Cl 1P001SSJ [0,1,0,0,0,1|2,0,0]=4 2336 B11R1.22 ONC(=O)c1ccc(cc1)I 1P019XHA [0,1,0,0,0,1|2,0,0]=4 2337 B11R1.22 ONC(=O)c1ccc(cc1)N 1P00BL6T [0,1,0,0,0,1|2,0,0]=4 2338 B11R1.22 ONC(=O)c1ccc(nc1)Br 1P028DEO [0,1,0,0,0,1|2,0,0]=4 2339 B11R1.22 ONC(=O)c1ccc(nc1)N 1P005W27 [0,1,0,0,0,1|2,0,0]=4 2340 B11R1.22 O\N=C(\c1ccc(cc1)C)/C 1P00BVHM [0,1,0,0,0,1|2,0,0]=4 2341 B11R1.22 O\N=C(\c1ccc(cc1)C)/N 1P00IQFL [0,1,0,0,0,1|2,0,0]=4 2342 B11R1.22 [NH3+]CC(=O)c1ccc(cc1)C 1P00DCZ1 [0,1,0,0,0,1|2,0,0]=4 2343 B11R1.166 Brc1ccc(c(c1)Br)C(=O)O 1P003G6H [0,1,0,0,0,1|2,0,0]=4 2344 B11R1.166 Brc1ccc(c(c1)C)C(=O)O 1P0034EB [0,1,0,0,0,1|2,0,0]=4 2345 B11R1.166 Brc1ccc(c(c1)Cl)C(=O)O 1P003LCY [0,1,0,0,0,1|2,0,0]=4 2346 B11R1.166 Brc1ccc(c(c1)F)C(=O)O 1P0034E2 [0,1,0,0,0,1|2,0,0]=4 2347 B11R1.166 Brc1ccc(c(c1)I)C(=O)O 1P008TCP [0,1,0,0,0,1|2,0,0]=4 2348 B11R1.166 Brc1ccc(c(c1)N)C(=O)O 1P002JQ9 [0,1,0,0,0,1|2,0,0]=4 2349 B11R1.166 Brc1ccc(c(c1)O)C(=O)O 1P001XB8 [0,1,0,0,0,1|2,0,0]=4 2350 B11R1.166 Brc1ccc(c(c1)S)C(=O)O 1P000CEP [0,1,0,0,0,1|2,0,0]=4 2351 B11R1.166 Brc1cnc(c(c1)Br)C(=O)O 1P00EAZ5 [0,1,0,0,0,1|2,0,0]=4 2352 B11R1.166 Brc1cnc(c(c1)C)C(=O)O 1P0034O1 [0,1,0,0,0,1|2,0,0]=4 2353 B11R1.166 Brc1cnc(c(c1)Cl)C(=O)O 1P0078H3 [0,1,0,0,0,1|2,0,0]=4 2354 B11R1.166 Brc1cnc(c(c1)F)C(=O)O 1P0037BM [0,1,0,0,0,1|2,0,0]=4 2355 B11R1.166 Brc1cnc(c(c1)I)C(=O)O 1P028UCU [0,1,0,0,0,1|2,0,0]=4 2356 B11R1.166 Brc1cnc(c(c1)N)C(=O)O 1P00341S [0,1,0,0,0,1|2,0,0]=4 2357 B11R1.166 Brc1cnc(c(c1)N)C(=O)O 1P00HYG9 [0,1,0,0,0,1|2,0,0]=4 2358 B11R1.166 Brc1cnc(c(c1)O)C(=O)O 1P000C3F [0,1,0,0,0,1|2,0,0]=4 2359 B11R1.166 Cc1cc(=O)c(c[nH]1)C(=O)O 1P00C6BP [0,1,0,0,0,1|1,0,0]=3 2360 B11R1.166 Cc1cc(=O)c(n[nH]1)C(=O)O 1P01A5L2 [0,1,0,0,0,1|2,0,0]=4 2361 B11R1.166 Cc1cc(Br)c(cn1)C(=O)O 1P0094E8 [0,1,0,0,0,1|1,0,0]=3 2362 B11R1.166 Cc1cc(Br)ncc1C(=O)O 1P00958U [0,1,0,0,0,1|2,0,0]=4 2363 B11R1.166 Cc1cc(C)ncc1C(=O)O 1P00BG4O [0,1,0,0,0,1|1,0,0]=3 2364 B11R1.166 Cc1cc(C)ncc1C(=O)O 1P00J3XG [0,1,0,0,0,1|1,0,0]=3 2365 B11R1.166 Cc1cc(Cl)c(cn1)C(=O)O 1P007WDK [0,1,0,0,0,1|1,0,0]=3 2366 B11R1.166 Cc1cc(Cl)ncc1C(=O)O 1P00DCLY [0,1,0,0,0,1|2,0,0]=4 2367 B11R1.166 Cc1cc(F)c(cn1)C(=O)O 1P0095UP [0,1,0,0,0,1|1,0,0]=3 2368 B11R1.166 Cc1cc(F)ncc1C(=O)O 1P00IIND [0,1,0,0,0,1|2,0,0]=4 2369 B11R1.166 Cc1cc(N)c(cn1)C(=O)O 1P000Y1A [0,1,0,0,0,1|1,0,0]=3 2370 B11R1.166 Cc1cc(N)ncc1C(=O)O 1P0027KG [0,1,0,0,0,1|2,0,0]=4 2371 B11R1.166 Cc1cc(O)c(cn1)C(=O)O 1P003LZC [0,1,0,0,0,1|1,0,0]=3 2372 B11R1.166 Cc1ccc(c(c1)Br)C(=O)C 1P00972K [0,1,0,0,0,1|2,0,0]=4 2373 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O 1P003H59 [0,1,0,0,0,1|1,0,0]=3 2374 B11R1.166 Cc1ccc(c(c1)C)C(=O)C 1P0033GD [0,1,0,0,0,1|2,0,0]=4 2375 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl 1P003GB2 [0,1,0,0,0,1|2,0,0]=4 2376 B11R1.166 Cc1ccc(c(c1)C)C(=O)N 1P00FJLO [0,1,0,0,0,1|2,0,0]=4 2377 B11R1.166 Cc1ccc(c(c1)C)C(=O)O 1P003GB0 [0,1,0,0,0,1|1,0,0]=3 2378 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)C 1P00IGPH [0,1,0,0,0,1|2,0,0]=4 2379 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)Cl 1P01EUZU [0,1,0,0,0,1|2,0,0]=4 2380 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O 1P00373P [0,1,0,0,0,1|1,0,0]=3 2381 B11R1.166 Cc1ccc(c(c1)F)C(=O)C 1P002YTP [0,1,0,0,0,1|2,0,0]=4 2382 B11R1.166 Cc1ccc(c(c1)F)C(=O)N 1P00GYLH [0,1,0,0,0,1|2,0,0]=4 2383 B11R1.166 Cc1ccc(c(c1)F)C(=O)O 1P0033RT [0,1,0,0,0,1|1,0,0]=3 2384 B11R1.166 Cc1ccc(c(c1)F)C(=O)[O-] 1P01K5DP [0,1,0,0,0,1|1,0,1]=4 2385 B11R1.166 Cc1ccc(c(c1)I)C(=O)O 1P0024P0 [0,1,0,0,0,1|1,0,0]=3 2386 B11R1.166 Cc1ccc(c(c1)N)C(=O)C 1P000JHK [0,1,0,0,0,1|2,0,0]=4 2387 B11R1.166 Cc1ccc(c(c1)N)C(=O)N 1P0037RM [0,1,0,0,0,1|2,0,0]=4 2388 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 1P002MH6 [0,1,0,0,0,1|1,0,0]=3 2389 B11R1.166 Cc1ccc(c(c1)O)C(=O)C 1P00ICDM [0,1,0,0,0,1|2,0,0]=4 2390 B11R1.166 Cc1ccc(c(c1)O)C(=O)N 1P00I9C0 [0,1,0,0,0,1|2,0,0]=4 2391 B11R1.166 Cc1ccc(c(c1)O)C(=O)O 1P0034KS [0,1,0,0,0,1|1,0,0]=3 2392 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O 1P0092W9 [0,1,0,0,0,1|1,0,0]=3 2393 B11R1.166 Cc1ccc(c(n1)C)C(=O)C 1P00AENJ [0,1,0,0,0,1|2,0,0]=4 2394 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N 1P00DIZD [0,1,0,0,0,1|2,0,0]=4 2395 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O 1P0030WD [0,1,0,0,0,1|1,0,0]=3 2396 B11R1.166 Cc1ccc(c(n1)N)C(=O)C 1P01WJXR [0,1,0,0,0,1|2,0,0]=4 2397 B11R1.166 Cc1ccc(c(n1)N)C(=O)N 1P009SAB [0,1,0,0,0,1|2,0,0]=4 2398 B11R1.166 Cc1ccc(c(n1)N)C(=O)O 1P004QR8 [0,1,0,0,0,1|1,0,0]=3 2399 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 1P02865F [0,1,0,0,0,1|2,0,0]=4 2400 B11R1.166 Cc1ccc(c(n1)O)C(=O)O 1P003HVQ [0,1,0,0,0,1|1,0,0]=3 2401 B11R1.166 Cc1cnc(c(=O)[nH]1)C(=O)N 1P004IS3 [0,1,0,0,0,1|2,0,0]=4 2402 B11R1.166 Cc1cnc(c(c1)Br)C(=O)C 1P028ZMO [0,1,0,0,0,1|2,0,0]=4 2403 B11R1.166 Cc1cnc(c(c1)Br)C(=O)O 1P0074GB [0,1,0,0,0,1|1,0,0]=3 2404 B11R1.166 Cc1cnc(c(c1)C)C(=O)O 1P00DCM0 [0,1,0,0,0,1|1,0,0]=3 2405 B11R1.166 Cc1cnc(c(c1)C)C(=O)O 1P01EKM3 [0,1,0,0,0,1|1,0,0]=3 2406 B11R1.166 Cc1cnc(c(c1)F)C(=O)O 1P000OUE [0,1,0,0,0,1|1,0,0]=3 2407 B11R1.166 Cc1cnc(c(c1)N)C(=O)N 1P0097FN [0,1,0,0,0,1|2,0,0]=4 2408 B11R1.166 Cc1cnc(c(c1)N)C(=O)O 1P00E45P [0,1,0,0,0,1|1,0,0]=3 2409 B11R1.166 Cc1cnc(c(c1)O)C(=O)O 1P00G237 [0,1,0,0,0,1|1,0,0]=3 2410 B11R1.166 Cc1cnc(c(c1)O)C(=O)O 1P01AC8F [0,1,0,0,0,1|1,0,0]=3 2411 B11R1.166 Cc1cnc(c(n1)Cl)C(=O)C 1P024HUS [0,1,0,0,0,1|2,0,0]=4 2412 B11R1.166 Cc1cnc(c(n1)Cl)C(=O)N 1P024HZX [0,1,0,0,0,1|2,0,0]=4 2413 B11R1.166 Cc1cnc(c(n1)N)C(=O)O 1P005ZDF [0,1,0,0,0,1|1,0,0]=3 2414 B11R1.166 Cc1nc(Br)ccc1C(=O)O 1P0090B6 [0,1,0,0,0,1|2,0,0]=4 2415 B11R1.166 Cc1nc(C)ccc1C(=O)O 1P0092VF [0,1,0,0,0,1|1,0,0]=3 2416 B11R1.166 Cc1nc(C)ccc1C(=O)O 1P00EAEW [0,1,0,0,0,1|1,0,0]=3 2417 B11R1.166 Cc1nc(C)cnc1C(=O)O 1P00IIVO [0,1,0,0,0,1|1,0,0]=3 2418 B11R1.166 Cc1nc(Cl)ccc1C(=O)O 1P0013BC [0,1,0,0,0,1|2,0,0]=4 2419 B11R1.166 Cc1nc(F)ccc1C(=O)O 1P004F2X [0,1,0,0,0,1|2,0,0]=4 2420 B11R1.166 Cc1nc(N)cnc1C(=O)O 1P028XUJ [0,1,0,0,0,1|2,0,0]=4 2421 B11R1.166 Cc1ncc(c(=O)[nH]1)C(=O)O 1P007U1O [0,1,0,0,0,1|1,0,0]=3 2422 B11R1.166 Cc1ncc(c(c1)C)C(=O)C 1P00HBIZ [0,1,0,0,0,1|2,0,0]=4 2423 B11R1.166 Cc1ncc(c(c1)N)C(=O)C 1P000Y1B [0,1,0,0,0,1|2,0,0]=4 2424 B11R1.166 Cc1ncc(c(c1)O)C(=O)C 1P028ECN [0,1,0,0,0,1|2,0,0]=4 2425 B11R1.166 Cc1ncc(c(n1)Br)C(=O)O 1P01DW02 [0,1,0,0,0,1|1,0,0]=3 2426 B11R1.166 Cc1ncc(c(n1)C)C(=O)C 1P00DKKR [0,1,0,0,0,1|2,0,0]=4 2427 B11R1.166 Cc1ncc(c(n1)C)C(=O)O 1P0033GG [0,1,0,0,0,1|1,0,0]=3 2428 B11R1.166 Cc1ncc(c(n1)N)C(=O)O 1P005868 [0,1,0,0,0,1|1,0,0]=3 2429 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O 1P003H4M [0,1,0,0,0,1|2,0,0]=4 2430 B11R1.166 Clc1ccc(c(c1)C)C(=O)O 1P003LKH [0,1,0,0,0,1|2,0,0]=4 2431 B11R1.166 Clc1ccc(c(c1)Cl)C(=O)O 1P003G7R [0,1,0,0,0,1|2,0,0]=4 2432 B11R1.166 Clc1ccc(c(c1)F)C(=O)O 1P003LJS [0,1,0,0,0,1|2,0,0]=4 2433 B11R1.166 Clc1ccc(c(c1)I)C(=O)O 1P003LK4 [0,1,0,0,0,1|2,0,0]=4 2434 B11R1.166 Clc1ccc(c(c1)N)C(=O)O 1P0033JX [0,1,0,0,0,1|2,0,0]=4 2435 B11R1.166 Clc1ccc(c(c1)O)C(=O)O 1P003LP6 [0,1,0,0,0,1|2,0,0]=4 2436 B11R1.166 Clc1ccc(c(c1)S)C(=O)O 1P002984 [0,1,0,0,0,1|2,0,0]=4 2437 B11R1.166 Clc1cnc(c(c1)Br)C(=O)O 1P007RPB [0,1,0,0,0,1|2,0,0]=4 2438 B11R1.166 Clc1cnc(c(c1)C)C(=O)O 1P008AZG [0,1,0,0,0,1|2,0,0]=4 2439 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O 1P0051PB [0,1,0,0,0,1|2,0,0]=4 2440 B11R1.166 Clc1cnc(c(c1)F)C(=O)O 1P002JVA [0,1,0,0,0,1|2,0,0]=4 2441 B11R1.166 Clc1cnc(c(c1)N)C(=O)O 1P00BJ6D [0,1,0,0,0,1|2,0,0]=4 2442 B11R1.166 Clc1cnc(c(c1)N)C(=O)O 1P00DGHQ [0,1,0,0,0,1|2,0,0]=4 2443 B11R1.166 Clc1cnc(c(c1)O)C(=O)O 1P01AG9C [0,1,0,0,0,1|2,0,0]=4 2444 B11R1.166 Clc1ncc(c(n1)C)C(=O)O 1P002HS4 [0,1,0,0,0,1|2,0,0]=4 2445 B11R1.166 Clc1ncc(c(n1)Cl)C(=O)O 1P0037SD [0,1,0,0,0,1|2,0,0]=4 2446 B11R1.166 Clc1ncc(c(n1)N)C(=O)O 1P008NRA [0,1,0,0,0,1|2,0,0]=4 2447 B11R1.166 Fc1ccc(c(c1)Br)C(=O)O 1P0002WO [0,1,0,0,0,1|2,0,0]=4 2448 B11R1.166 Fc1ccc(c(c1)C)C(=O)O 1P003LWE [0,1,0,0,0,1|2,0,0]=4 2449 B11R1.166 Fc1ccc(c(c1)Cl)C(=O)O 1P0033OJ [0,1,0,0,0,1|2,0,0]=4 2450 B11R1.166 Fc1ccc(c(c1)F)C(=O)O 1P001QKH [0,1,0,0,0,1|2,0,0]=4 2451 B11R1.166 Fc1ccc(c(c1)I)C(=O)O 1P003LTS [0,1,0,0,0,1|2,0,0]=4 2452 B11R1.166 Fc1ccc(c(c1)N)C(=O)O 1P003GVV [0,1,0,0,0,1|2,0,0]=4 2453 B11R1.166 Fc1ccc(c(c1)O)C(=O)O 1P0034HO [0,1,0,0,0,1|2,0,0]=4 2454 B11R1.166 Fc1ccc(c(c1)S)C(=O)O 1P004ZLZ [0,1,0,0,0,1|2,0,0]=4 2455 B11R1.166 Fc1cnc(c(c1)Br)C(=O)O 1P007RPA [0,1,0,0,0,1|2,0,0]=4 2456 B11R1.166 Fc1cnc(c(c1)C)C(=O)O 1P000OVN [0,1,0,0,0,1|2,0,0]=4 2457 B11R1.166 Fc1cnc(c(c1)C)C(=O)O 1P028H40 [0,1,0,0,0,1|2,0,0]=4 2458 B11R1.166 Fc1cnc(c(c1)Cl)C(=O)O 1P000Y80 [0,1,0,0,0,1|2,0,0]=4 2459 B11R1.166 Fc1cnc(c(c1)F)C(=O)O 1P0036ZH [0,1,0,0,0,1|2,0,0]=4 2460 B11R1.166 Fc1cnc(c(c1)N)C(=O)O 1P028E2S [0,1,0,0,0,1|2,0,0]=4 2461 B11R1.166 Fc1cnc(c(c1)O)C(=O)O 1P028V60 [0,1,0,0,0,1|2,0,0]=4 2462 B11R1.166 Ic1ccc(c(c1)Br)C(=O)O 1P002W5V [0,1,0,0,0,1|2,0,0]=4 2463 B11R1.166 Ic1ccc(c(c1)C)C(=O)O 1P0014WP [0,1,0,0,0,1|2,0,0]=4 2464 B11R1.166 Ic1ccc(c(c1)Cl)C(=O)O 1P001LAI [0,1,0,0,0,1|2,0,0]=4 2465 B11R1.166 Ic1ccc(c(c1)F)C(=O)O 1P000N3H [0,1,0,0,0,1|2,0,0]=4 2466 B11R1.166 Ic1ccc(c(c1)N)C(=O)O 1P002JQ6 [0,1,0,0,0,1|2,0,0]=4 2467 B11R1.166 Ic1ccc(c(c1)O)C(=O)O 1P001YPT [0,1,0,0,0,1|2,0,0]=4 2468 B11R1.166 Nc1cc(Cl)c(cn1)C(=O)O 1P008YVH [0,1,0,0,0,1|2,0,0]=4 2469 B11R1.166 Nc1cc(Cl)ncc1C(=O)O 1P0097H1 [0,1,0,0,0,1|2,0,0]=4 2470 B11R1.166 Nc1cc(F)c(cn1)C(=O)O 1P028LJ9 [0,1,0,0,0,1|2,0,0]=4 2471 B11R1.166 Nc1cc(F)ncc1C(=O)O 1P000M6R [0,1,0,0,0,1|2,0,0]=4 2472 B11R1.166 Nc1cc(N)ncc1C(=O)O 1P028J9G [0,1,0,0,0,1|2,0,0]=4 2473 B11R1.166 Nc1ccc(c(c1)Br)C(=O)O 1P002Q53 [0,1,0,0,0,1|2,0,0]=4 2474 B11R1.166 Nc1ccc(c(c1)Br)C(=O)O 1P01DX04 [0,1,0,0,0,1|2,0,0]=4 2475 B11R1.166 Nc1ccc(c(c1)C)C(=O)O 1P002Q4Y [0,1,0,0,0,1|2,0,0]=4 2476 B11R1.166 Nc1ccc(c(c1)Cl)C(=O)O 1P002P2E [0,1,0,0,0,1|2,0,0]=4 2477 B11R1.166 Nc1ccc(c(c1)Cl)C(=O)O 1P019WYV [0,1,0,0,0,1|2,0,0]=4 2478 B11R1.166 Nc1ccc(c(c1)F)C(=O)O 1P003L58 [0,1,0,0,0,1|2,0,0]=4 2479 B11R1.166 Nc1ccc(c(c1)I)C(=O)O 1P008QUX [0,1,0,0,0,1|2,0,0]=4 2480 B11R1.166 Nc1ccc(c(c1)N)C(=O)O 1P003G5Z [0,1,0,0,0,1|2,0,0]=4 2481 B11R1.166 Nc1ccc(c(c1)N)C(=O)O 1P00F3FM [0,1,0,0,0,1|2,0,0]=4 2482 B11R1.166 Nc1ccc(c(c1)O)C(=O)O 1P003L8T [0,1,0,0,0,1|2,0,0]=4 2483 B11R1.166 Nc1ccc(c(c1)O)C(=O)O 1P00737J [0,1,0,0,0,1|2,0,0]=4 2484 B11R1.166 Nc1ccc(c(c1)S)C(=O)O 1P005N76 [0,1,0,0,0,1|2,0,0]=4 2485 B11R1.166 Nc1ccc(c(n1)Br)C(=O)O 1P00L9S5 [0,1,0,0,0,1|2,0,0]=4 2486 B11R1.166 Nc1ccc(c(n1)Cl)C(=O)O 1P020N2W [0,1,0,0,0,1|2,0,0]=4 2487 B11R1.166 Nc1ccc(c(n1)F)C(=O)O 1P020KK9 [0,1,0,0,0,1|2,0,0]=4 2488 B11R1.166 Nc1cnc(c(c1)C)C(=O)O 1P028OUO [0,1,0,0,0,1|2,0,0]=4 2489 B11R1.166 Nc1cnc(c(c1)Cl)C(=O)O 1P0285EA [0,1,0,0,0,1|2,0,0]=4 2490 B11R1.166 Nc1nc(Br)ccc1C(=O)O 1P000PTS [0,1,0,0,0,1|2,0,0]=4 2491 B11R1.166 Nc1nc(Cl)ccc1C(=O)O 1P00ECT0 [0,1,0,0,0,1|2,0,0]=4 2492 B11R1.166 Nc1nc(Cl)cnc1C(=O)O 1P000RGG [0,1,0,0,0,1|2,0,0]=4 2493 B11R1.166 Nc1ncc(c(=O)[nH]1)C(=O)O 1P00JBLX [0,1,0,0,0,1|2,0,0]=4 2494 B11R1.166 Nc1ncc(c(n1)C)C(=O)O 1P008OZ4 [0,1,0,0,0,1|2,0,0]=4 2495 B11R1.166 Nc1ncc(c(n1)Cl)C(=O)O 1P000LXY [0,1,0,0,0,1|2,0,0]=4 2496 B11R1.166 Nc1ncc(c(n1)N)C(=O)O 1P007T96 [0,1,0,0,0,1|2,0,0]=4 2497 B11R1.166 O=c1ccc(c(o1)C)C(=O)O 1P00BIFY [0,1,0,0,0,1|1,1,0]=4 2498 B11R1.166 OC(=O)c1c[nH]c(=O)[nH]c1=O 1P0033G9 [0,1,0,0,0,1|2,0,0]=4 2499 B11R1.166 OC(=O)c1c[nH]c(=O)cc1C 1P01E8WS [0,1,0,0,0,1|2,0,0]=4 2500 B11R1.166 OC(=O)c1c[nH]c(=O)cc1O 1P00DGGH [0,1,0,0,0,1|2,0,0]=4 2501 B11R1.166 OC(=O)c1c[nH]c(=S)[nH]c1=O 1P0036LH [0,1,0,0,0,1|2,0,0]=4 2502 B11R1.166 OC(=O)c1ccc(=O)[nH]c1Br 1P0284F5 [0,1,0,0,0,1|2,0,0]=4 2503 B11R1.166 OC(=O)c1ccc(=O)[nH]c1C 1P00FHPX [0,1,0,0,0,1|2,0,0]=4 2504 B11R1.166 OC(=O)c1ccc([nH]c1=O)Cl 1P00397W [0,1,0,0,0,1|2,0,0]=4 2505 B11R1.166 OC(=O)c1ccc(nc1Br)Br 1P00D8VK [0,1,0,0,0,1|2,0,0]=4 2506 B11R1.166 OC(=O)c1ccc(nc1Br)Cl 1P007ELE [0,1,0,0,0,1|2,0,0]=4 2507 B11R1.166 OC(=O)c1ccc(nc1Cl)Br 1P003NKF [0,1,0,0,0,1|2,0,0]=4 2508 B11R1.166 OC(=O)c1ccc(nc1Cl)Cl 1P003GK8 [0,1,0,0,0,1|2,0,0]=4 2509 B11R1.166 OC(=O)c1ccc(nc1Cl)F 1P007PLV [0,1,0,0,0,1|2,0,0]=4 2510 B11R1.166 OC(=O)c1ccc(nc1F)Br 1P0015B1 [0,1,0,0,0,1|2,0,0]=4 2511 B11R1.166 OC(=O)c1ccc(nc1F)Cl 1P009I3M [0,1,0,0,0,1|2,0,0]=4 2512 B11R1.166 OC(=O)c1ccc(nc1F)F 1P0038E0 [0,1,0,0,0,1|2,0,0]=4 2513 B11R1.166 OC(=O)c1cnc(=O)[nH]c1C 1P000UGR [0,1,0,0,0,1|2,0,0]=4 2514 B11R1.166 OC(=O)c1cnc(cc1Br)Br 1P008R5V [0,1,0,0,0,1|2,0,0]=4 2515 B11R1.166 OC(=O)c1cnc(cc1Br)Cl 1P000OX7 [0,1,0,0,0,1|2,0,0]=4 2516 B11R1.166 OC(=O)c1cnc(cc1Br)F 1P01R6L7 [0,1,0,0,0,1|2,0,0]=4 2517 B11R1.166 OC(=O)c1cnc(cc1Cl)Br 1P003AME [0,1,0,0,0,1|2,0,0]=4 2518 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl 1P003L02 [0,1,0,0,0,1|2,0,0]=4 2519 B11R1.166 OC(=O)c1cnc(cc1F)Br 1P0084VJ [0,1,0,0,0,1|2,0,0]=4 2520 B11R1.166 OC(=O)c1cnc(cc1F)F 1P0038V5 [0,1,0,0,0,1|2,0,0]=4 2521 B11R1.166 OC(=O)c1cnc(cc1I)Br 1P000QJ5 [0,1,0,0,0,1|2,0,0]=4 2522 B11R1.166 OC(=O)c1cnc(cc1I)Cl 1P00HGFR [0,1,0,0,0,1|2,0,0]=4 2523 B11R1.166 OC(=O)c1ncc([nH]c1=O)Cl 1P01DFL5 [0,1,0,0,0,1|2,0,0]=4 2524 B11R1.166 OC(=O)c1ncc(nc1Cl)Cl 1P0039A1 [0,1,0,0,0,1|2,0,0]=4 2525 B11R1.166 Oc1ccc(c(c1)Br)C(=O)O 1P00BK8U [0,1,0,0,0,1|2,0,0]=4 2526 B11R1.166 Oc1ccc(c(c1)C)C(=O)O 1P003LY6 [0,1,0,0,0,1|2,0,0]=4 2527 B11R1.166 Oc1ccc(c(c1)Cl)C(=O)O 1P003HE0 [0,1,0,0,0,1|2,0,0]=4 2528 B11R1.166 Oc1ccc(c(c1)Cl)C(=O)O 1P003HE1 [0,1,0,0,0,1|2,0,0]=4 2529 B11R1.166 Oc1ccc(c(c1)F)C(=O)O 1P003HQ1 [0,1,0,0,0,1|2,0,0]=4 2530 B11R1.166 Oc1ccc(c(c1)N)C(=O)O 1P00CJAM [0,1,0,0,0,1|2,0,0]=4 2531 B11R1.166 Oc1ccc(c(c1)O)C(=O)O 1P003G9U [0,1,0,0,0,1|2,0,0]=4 2532 B11R1.166 Oc1ccc(c(n1)Cl)C(=O)O 1P003HHA [0,1,0,0,0,1|2,0,0]=4 2533 B11R1.166 Oc1cnc(c(c1)F)C(=O)O 1P01FGJO [0,1,0,0,0,1|2,0,0]=4 2534 B11R1.166 Oc1nc(Br)ccc1C(=O)O 1P01B2M4 [0,1,0,0,0,1|2,0,0]=4 2535 B11R1.166 Oc1ncc(c(c1)Cl)C(=O)O 1P005NI6 [0,1,0,0,0,1|2,0,0]=4 2536 B11R1.166 Oc1ncc(c(n1)N)C(=O)O 1P00C90A [0,1,0,0,0,1|2,0,0]=4 2537 B11R1.166 Sc1ccc(c(c1)Cl)C(=O)O 1P000CEO [0,1,0,0,0,1|2,0,0]=4 2538 B11R1.166 Sc1ccc(c(c1)F)C(=O)O 1P01BL0V [0,1,0,0,0,1|2,0,0]=4 2539 B11R1.166 [O-]C(=O)c1cnc(cc1Br)C 1P02816E [0,1,0,0,0,1|1,0,1]=4 2540 B11R1.727 OC(=O)C1=CN=S(=O)(C=C1)C 1P01A7CA [0,1,0,0,0,1|2,0,0]=4 2541 B11R1.39 COC(=O)Cc1ccc(o1)C 1P01C592 [0,1,0,0,0,1|2,0,0]=4 2542 B11R1.39 COC(=O)Cc1cnc(o1)C 1P00IMSJ [0,1,0,0,0,1|2,0,0]=4 2543 B11R1.39 COC(=O)Cc1cnn(c1)C 1P000N9E [0,1,0,0,0,1|2,0,0]=4 2544 B11R1.39 COC(=O)Cc1csc(n1)Br 1P000SCE [0,1,0,0,0,1|2,0,0]=4 2545 B11R1.39 COC(=O)Cc1csc(n1)N 1P00G3IX [0,1,0,0,0,1|2,0,0]=4 2546 B11R1.39 COC(=O)Cc1csc(n1)N 1P00IBWA [0,1,0,0,0,1|2,0,0]=4 2547 B11R1.39 COC(=O)Cc1n[nH]c(c1)C 1P00094N [0,1,0,0,0,1|2,0,0]=4 2548 B11R1.39 COC(=O)Cc1noc(c1)C 1P00II2G [0,1,0,0,0,1|1,1,0]=4 2549 B11R1.39 COC(=O)Cc1onc(c1)C 1P00BVE9 [0,1,0,0,0,1|2,0,0]=4 2550 B11R1.39 COC(=O)Nc1cnn(c1)C 1P01BU0Y [0,1,0,0,0,1|2,0,0]=4 2551 B11R1.39 Cc1nc(cs1)CC(=O)NN 1P00DEL6 [0,1,0,0,0,1|2,0,0]=4 2552 B11R1.39 Cc1nc(cs1)C\C(=N\O)\N 1P019VBW [0,1,0,0,0,1|2,0,0]=4 2553 B11R1.43 CCc1cc(on1)CC(=O)O 1P028O3Q [0,1,0,0,0,1|2,0,0]=4 2554 B11R1.43 CCc1nc(cs1)CC(=O)O 1P00H2V7 [0,1,0,0,0,1|1,0,0]=3 2555 B11R1.43 CCn1ncc(c1)CC(=O)O 1P01AGI7 [0,1,0,0,0,1|2,0,0]=4 2556 B11R1.43 COc1cc(on1)CC(=O)O 1P00B4H6 [0,1,0,0,0,1|2,0,0]=4 2557 B11R1.43 OCc1scc(n1)CC(=O)O 1P0292Y1 [0,1,0,0,0,1|1,0,0]=3 2558 B11R1.80 OC(=O)Cc1nn(c(c1)C)C 1P0076OQ [0,1,0,0,0,1|2,0,0]=4 2559 B11R1.313 Cc1c(C)ncn1CC(=O)O 1P00J34I [0,1,0,0,0,1|2,0,0]=4 2560 B11R1.313 Cc1c(CC(=O)O)cnn1C 1P01ALM2 [0,1,0,0,0,1|2,0,0]=4 2561 B11R1.313 Cn1ncc(c1Br)CC(=O)O 1P0280ZF [0,1,0,0,0,1|2,0,0]=4 2562 B11R1.313 Cn1ncc(c1Cl)CC(=O)O 1P028ZIR [0,1,0,0,0,1|2,0,0]=4 2563 B11R1.314 CC(c1ccc(o1)C)C(=O)O 1P01AKWU [0,1,0,0,0,1|2,0,0]=4 2564 B11R1.314 CC(c1ccc(s1)C)C(=O)O 1P019U6K [0,1,0,0,0,1|2,0,0]=4 2565 B11R1.314 Cc1ccc(s1)C(C(=O)O)N 1P0087NT [0,1,0,0,0,1|2,0,0]=4 2566 B11R1.314 Cc1nc(cs1)C(=O)C(=O)O 1P028I5Q [0,1,0,0,0,1|1,0,0]=3 2567 B11R1.314 Cn1ncc(c1)C(=O)C(=O)O 1P01A8P7 [0,1,0,0,0,1|2,0,0]=4 2568 B11R1.314 Nc1nc(cs1)C(=O)C(=O)O 1P00646S [0,1,0,0,0,1|2,0,0]=4 2569 B11R1.314 OC(=O)C(=O)c1csc(n1)Cl 1P0287OW [0,1,0,0,0,1|2,0,0]=4 2570 B11R1.314 OC(=O)C(c1ccn(c1)C)C 1P0293S6 [0,1,0,0,0,1|2,0,0]=4 2571 B11R1.314 OC(=O)C(c1cnn(c1)C)C 1P019YV0 [0,1,0,0,0,1|2,0,0]=4 2572 B11R1.314 OC(=O)C(c1cnn(c1)C)N 1P00B2ZG [0,1,0,0,0,1|2,0,0]=4 2573 B11R1.314 OC(=O)C(c1cnn(c1)C)O 1P01B8D7 [0,1,0,0,0,1|2,0,0]=4 2574 B11R1.645 Cc1cc(c(s1)CC(=O)O)Br 1P01BUGP [0,1,0,0,0,1|2,0,0]=4 2575 B11R1.645 Cc1cc(sc1CC(=O)O)C 1P01BU1T [0,1,0,0,0,1|2,0,0]=4 2576 B11R1.645 Cc1nc(c(s1)Br)CC(=O)O 1P028BI3 [0,1,0,0,0,1|1,0,0]=3 2577 B11R1.645 Cc1nc(c(s1)Cl)CC(=O)O 1P028BW0 [0,1,0,0,0,1|1,0,0]=3 2578 B11R1.645 Cc1nc(cn1CC(=O)O)C 1P028ZZE [0,1,0,0,0,1|2,0,0]=4 2579 B11R1.645 Cc1nc(sc1CC(=O)O)C 1P00BZCF [0,1,0,0,0,1|2,0,0]=4 2580 B11R1.645 Cc1nn(cc1CC(=O)O)C 1P00HEN6 [0,1,0,0,0,1|2,0,0]=4 2581 B11R1.645 Cc1sc(cc1CC(=O)O)Br 1P028N28 [0,1,0,0,0,1|1,0,0]=3 2582 B11R1.645 Cc1sc(cc1CC(=O)O)C 1P00BHT8 [0,1,0,0,0,1|0,0,0]=2 2583 B11R1.645 Cc1sc(nc1CC(=O)O)C 1P0031FM [0,1,0,0,0,1|1,0,0]=3 2584 B11R1.645 Cn1cc(c(n1)Br)CC(=O)O 1P0293QR [0,1,0,0,0,1|2,0,0]=4 2585 B11R1.645 Cn1nc(cc1CC(=O)O)C 1P007RKO [0,1,0,0,0,1|2,0,0]=4 2586 B11R1.645 Cn1nc(cc1CC(=O)O)C 1P027ZJ8 [0,1,0,0,0,1|2,0,0]=4 2587 B11R1.645 OC(=O)CC1=CC(=O)OC1=O 1P003PGI [0,1,0,0,0,1|1,1,0]=4 2588 B11R1.645 OC(=O)Cc1cc(sc1Br)Br 1P01ELGS [0,1,0,0,0,1|1,0,0]=3 2589 B11R1.645 OC(=O)Cc1cc(sc1Cl)Cl 1P028O2H [0,1,0,0,0,1|1,0,0]=3 2590 B11R1.645 OC(=O)Cc1nc(sc1Cl)Cl 1P028FV1 [0,1,0,0,0,1|2,0,0]=4 2591 B11R1.645 [O-]C(=O)Cc1cc([nH]c1C)C 1P0280QB [0,1,0,0,0,1|1,0,1]=4 2592 B11R1.23 BrCC(=O)c1cccc(c1)C 1P00DHC0 [0,1,0,0,0,1|2,0,0]=4 2593 B11R1.23 BrCC(=O)c1ccnc(c1)C 1P028T51 [0,1,0,0,0,1|2,0,0]=4 2594 B11R1.23 BrCC(=O)c1cncc(c1)C 1P01ADIP [0,1,0,0,0,1|2,0,0]=4 2595 B11R1.23 CCC(=O)c1cccc(c1)C 1P003SLJ [0,1,0,0,0,1|2,0,0]=4 2596 B11R1.23 CCC(=O)c1nccc(c1)C 1P009SSW [0,1,0,0,0,1|2,0,0]=4 2597 B11R1.23 COC(=O)c1cc(=O)cc[nH]1 1P01EC4R [0,1,0,0,0,1|2,0,0]=4 2598 B11R1.23 COC(=O)c1cc(=O)nc[nH]1 1P003SF9 [0,1,0,0,0,1|2,0,0]=4 2599 B11R1.23 COC(=O)c1cc(Br)ccn1 1P002ZK6 [0,1,0,0,0,1|2,0,0]=4 2600 B11R1.23 COC(=O)c1cc(Br)ncn1 1P003ASB [0,1,0,0,0,1|2,0,0]=4 2601 B11R1.23 COC(=O)c1cc(Cl)ccn1 1P0025I7 [0,1,0,0,0,1|2,0,0]=4 2602 B11R1.23 COC(=O)c1cc(Cl)ccn1 1P002OR9 [0,1,0,0,0,1|2,0,0]=4 2603 B11R1.23 COC(=O)c1cc(Cl)ncn1 1P003SF4 [0,1,0,0,0,1|2,0,0]=4 2604 B11R1.23 COC(=O)c1cc(F)ccn1 1P004A1U [0,1,0,0,0,1|2,0,0]=4 2605 B11R1.23 COC(=O)c1cc(I)ccn1 1P0037QI [0,1,0,0,0,1|2,0,0]=4 2606 B11R1.23 COC(=O)c1cc(N)ccn1 1P0035NX [0,1,0,0,0,1|2,0,0]=4 2607 B11R1.23 COC(=O)c1cc(N)ncn1 1P005S71 [0,1,0,0,0,1|2,0,0]=4 2608 B11R1.23 COC(=O)c1cc(O)ccn1 1P00DJCU [0,1,0,0,0,1|2,0,0]=4 2609 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 1P0035MW [0,1,0,0,0,1|2,0,0]=4 2610 B11R1.23 COC(=O)c1ccc[n+](c1)C 1P01PWD3 [0,1,0,0,0,1|2,0,0]=4 2611 B11R1.23 COC(=O)c1cccc(c1)Br 1P0036DA [0,1,0,0,0,1|2,0,0]=4 2612 B11R1.23 COC(=O)c1cccc(c1)C 1P003S9P [0,1,0,0,0,1|1,0,0]=3 2613 B11R1.23 COC(=O)c1cccc(c1)Cl 1P002XO2 [0,1,0,0,0,1|2,0,0]=4 2614 B11R1.23 COC(=O)c1cccc(c1)F 1P003S8W [0,1,0,0,0,1|2,0,0]=4 2615 B11R1.23 COC(=O)c1cccc(c1)I 1P0035NN [0,1,0,0,0,1|2,0,0]=4 2616 B11R1.23 COC(=O)c1cccc(c1)N 1P004OIR [0,1,0,0,0,1|2,0,0]=4 2617 B11R1.23 COC(=O)c1cccc(c1)N 1P00DEZP [0,1,0,0,0,1|2,0,0]=4 2618 B11R1.23 COC(=O)c1cccc(c1)O 1P003S93 [0,1,0,0,0,1|2,0,0]=4 2619 B11R1.23 COC(=O)c1cccc(c1)S 1P0060DS [0,1,0,0,0,1|2,0,0]=4 2620 B11R1.23 COC(=O)c1cccc(n1)C 1P007NJ2 [0,1,0,0,0,1|2,0,0]=4 2621 B11R1.23 COC(=O)c1ccnc(c1)Br 1P002SD9 [0,1,0,0,0,1|2,0,0]=4 2622 B11R1.23 COC(=O)c1ccnc(c1)C 1P001YHE [0,1,0,0,0,1|1,0,0]=3 2623 B11R1.23 COC(=O)c1ccnc(c1)C 1P028KMU [0,1,0,0,0,1|1,0,0]=3 2624 B11R1.23 COC(=O)c1ccnc(c1)Cl 1P003S47 [0,1,0,0,0,1|2,0,0]=4 2625 B11R1.23 COC(=O)c1ccnc(c1)F 1P003S4J [0,1,0,0,0,1|2,0,0]=4 2626 B11R1.23 COC(=O)c1ccnc(c1)I 1P0080E5 [0,1,0,0,0,1|2,0,0]=4 2627 B11R1.23 COC(=O)c1ccnc(c1)N 1P0035MF [0,1,0,0,0,1|2,0,0]=4 2628 B11R1.23 COC(=O)c1ccnc(c1)O 1P028JI5 [0,1,0,0,0,1|2,0,0]=4 2629 B11R1.23 COC(=O)c1ccnc(n1)C 1P005VZ4 [0,1,0,0,0,1|2,0,0]=4 2630 B11R1.23 COC(=O)c1cn[nH]c(=O)c1 1P003WOS [0,1,0,0,0,1|2,0,0]=4 2631 B11R1.23 COC(=O)c1cncc(c1)Br 1P002ZK4 [0,1,0,0,0,1|2,0,0]=4 2632 B11R1.23 COC(=O)c1cncc(c1)C 1P002ZK3 [0,1,0,0,0,1|1,0,0]=3 2633 B11R1.23 COC(=O)c1cncc(c1)Cl 1P00D9EZ [0,1,0,0,0,1|2,0,0]=4 2634 B11R1.23 COC(=O)c1cncc(c1)F 1P006ZZC [0,1,0,0,0,1|2,0,0]=4 2635 B11R1.23 COC(=O)c1cncc(c1)I 1P00IX72 [0,1,0,0,0,1|2,0,0]=4 2636 B11R1.23 COC(=O)c1cncc(c1)N 1P003SDR [0,1,0,0,0,1|2,0,0]=4 2637 B11R1.23 COC(=O)c1cncc(c1)N 1P009305 [0,1,0,0,0,1|2,0,0]=4 2638 B11R1.23 COC(=O)c1cncc(c1)O 1P0031P8 [0,1,0,0,0,1|2,0,0]=4 2639 B11R1.23 COC(=O)c1cncc(c1)O 1P003SEK [0,1,0,0,0,1|2,0,0]=4 2640 B11R1.23 COC(=O)c1cncc(n1)C 1P003SFC [0,1,0,0,0,1|2,0,0]=4 2641 B11R1.23 COC(=O)c1cnnc(c1)Br 1P0284KE [0,1,0,0,0,1|2,0,0]=4 2642 B11R1.23 COC(=O)c1cnnc(c1)Cl 1P0035P1 [0,1,0,0,0,1|2,0,0]=4 2643 B11R1.23 COC(=O)c1nccc(c1)C 1P00806U [0,1,0,0,0,1|1,0,0]=3 2644 B11R1.23 COC(=O)c1nccc(n1)C 1P00CM3F [0,1,0,0,0,1|2,0,0]=4 2645 B11R1.23 COC(=O)c1ncnc(c1)C 1P00FWZU [0,1,0,0,0,1|1,0,0]=3 2646 B11R1.23 COC(=O)c1nncc(c1)C 1P0026U4 [0,1,0,0,0,1|2,0,0]=4 2647 B11R1.23 Cc1cc(ncc1)C(=NO)N 1P01BUN8 [0,1,0,0,0,1|2,0,0]=4 2648 B11R1.23 Cc1cc(ncc1)C(=O)CBr 1P00G73J [0,1,0,0,0,1|2,0,0]=4 2649 B11R1.23 NCC(=O)c1cccc(c1)C 1P005GME [0,1,0,0,0,1|2,0,0]=4 2650 B11R1.23 NNC(=O)c1cccc(c1)C 1P000UZ8 [0,1,0,0,0,1|2,0,0]=4 2651 B11R1.23 NNC(=O)c1cncc(c1)C 1P00GAT4 [0,1,0,0,0,1|2,0,0]=4 2652 B11R1.23 OCC(=C)c1cncc(c1)C 1P027W9R [0,1,0,0,0,1|2,0,0]=4 2653 B11R1.23 OCC(=O)c1cccc(c1)Br 1P01AM0T [0,1,0,0,0,1|2,0,0]=4 2654 B11R1.23 OCC(=O)c1cccc(c1)Cl 1P01DFA2 [0,1,0,0,0,1|2,0,0]=4 2655 B11R1.23 OCC(=O)c1cccc(c1)F 1P00BQED [0,1,0,0,0,1|2,0,0]=4 2656 B11R1.23 ONC(=O)c1cccc(c1)Br 1P002RKV [0,1,0,0,0,1|2,0,0]=4 2657 B11R1.23 ONC(=O)c1cccc(c1)O 1P001SJP [0,1,0,0,0,1|2,0,0]=4 2658 B11R1.23 O\N=C(\c1cccc(c1)C)/N 1P003TJ3 [0,1,0,0,0,1|2,0,0]=4 2659 B11R1.74 Brc1cc(C)nc(c1)C(=O)O 1P00GSL6 [0,1,0,0,0,1|2,0,0]=4 2660 B11R1.74 Brc1cc(Cl)nc(c1)C(=O)O 1P008WA5 [0,1,0,0,0,1|2,0,0]=4 2661 B11R1.74 Brc1cc(I)cc(c1)C(=O)O 1P002HU5 [0,1,0,0,0,1|2,0,0]=4 2662 B11R1.74 Brc1cc(O)nc(c1)C(=O)O 1P028EUY [0,1,0,0,0,1|2,0,0]=4 2663 B11R1.74 Cc1cc(Br)cc(c1)C(=O)C 1P0014LX [0,1,0,0,0,1|2,0,0]=4 2664 B11R1.74 Cc1cc(Br)cc(c1)C(=O)N 1P0003A4 [0,1,0,0,0,1|2,0,0]=4 2665 B11R1.74 Cc1cc(Br)cc(c1)C(=O)O 1P003JJT [0,1,0,0,0,1|1,0,0]=3 2666 B11R1.74 Cc1cc(C)cc(c1)C(=O)C 1P00IA2B [0,1,0,0,0,1|2,0,0]=4 2667 B11R1.74 Cc1cc(C)nc(c1)C(=O)C 1P00EIWR [0,1,0,0,0,1|2,0,0]=4 2668 B11R1.74 Cc1cc(C)nc(c1)C(=O)O 1P0022W4 [0,1,0,0,0,1|1,0,0]=3 2669 B11R1.74 Cc1cc(C)nc(c1)C(=O)O 1P00HVWU [0,1,0,0,0,1|1,0,0]=3 2670 B11R1.74 Cc1cc(Cl)cc(c1)C(=O)C 1P01K61P [0,1,0,0,0,1|2,0,0]=4 2671 B11R1.74 Cc1cc(Cl)cc(c1)C(=O)N 1P01BIWW [0,1,0,0,0,1|2,0,0]=4 2672 B11R1.74 Cc1cc(Cl)cc(c1)C(=O)O 1P00344T [0,1,0,0,0,1|1,0,0]=3 2673 B11R1.74 Cc1cc(Cl)nc(c1)C(=O)O 1P0038IB [0,1,0,0,0,1|1,0,0]=3 2674 B11R1.74 Cc1cc(Cl)nc(n1)C(=O)O 1P020MB1 [0,1,0,0,0,1|2,0,0]=4 2675 B11R1.74 Cc1cc(F)cc(c1)C(=O)C 1P00GYMH [0,1,0,0,0,1|2,0,0]=4 2676 B11R1.74 Cc1cc(F)cc(c1)C(=O)N 1P00DHU3 [0,1,0,0,0,1|2,0,0]=4 2677 B11R1.74 Cc1cc(F)cc(c1)C(=O)O 1P003JXL [0,1,0,0,0,1|1,0,0]=3 2678 B11R1.74 Cc1cc(I)cc(c1)C(=O)O 1P00DZFI [0,1,0,0,0,1|1,0,0]=3 2679 B11R1.74 Cc1cc(N)cc(c1)C(=O)N 1P01AUW0 [0,1,0,0,0,1|2,0,0]=4 2680 B11R1.74 Cc1cc(N)cc(c1)C(=O)N 1P028CM2 [0,1,0,0,0,1|2,0,0]=4 2681 B11R1.74 Cc1cc(N)cc(c1)C(=O)O 1P002MH5 [0,1,0,0,0,1|1,0,0]=3 2682 B11R1.74 Cc1cc(O)cc(c1)C(=O)C 1P00I8RI [0,1,0,0,0,1|2,0,0]=4 2683 B11R1.74 Cc1cc(O)cc(c1)C(=O)O 1P00393C [0,1,0,0,0,1|1,0,0]=3 2684 B11R1.74 Cc1cc(O)nc(c1)C(=O)O 1P00G8DG [0,1,0,0,0,1|1,0,0]=3 2685 B11R1.74 Cc1nc(Br)cc(c1)C(=O)O 1P00BFT7 [0,1,0,0,0,1|1,0,0]=3 2686 B11R1.74 Cc1nc(C)cc(c1)C(=O)C 1P005G3U [0,1,0,0,0,1|2,0,0]=4 2687 B11R1.74 Cc1nc(C)nc(c1)C(=O)O 1P00E4G3 [0,1,0,0,0,1|1,0,0]=3 2688 B11R1.74 Cc1nc(C)nc(c1)C(=O)O 1P01FKN0 [0,1,0,0,0,1|1,0,0]=3 2689 B11R1.74 Cc1nc(Cl)cc(c1)C(=O)C 1P00IG12 [0,1,0,0,0,1|2,0,0]=4 2690 B11R1.74 Cc1nc(Cl)cc(c1)C(=O)Cl 1P002TL1 [0,1,0,0,0,1|2,0,0]=4 2691 B11R1.74 Cc1nc(Cl)cc(c1)C(=O)N 1P00BGME [0,1,0,0,0,1|2,0,0]=4 2692 B11R1.74 Cc1nc(Cl)cc(c1)C(=O)O 1P003HHP [0,1,0,0,0,1|1,0,0]=3 2693 B11R1.74 Cc1nc(Cl)nc(c1)C(=O)O 1P00GW25 [0,1,0,0,0,1|1,0,0]=3 2694 B11R1.74 Cc1nc(N)cc(c1)C(=O)O 1P00ECZ2 [0,1,0,0,0,1|1,0,0]=3 2695 B11R1.74 Cc1nc(N)nc(c1)C(=O)O 1P00FCAS [0,1,0,0,0,1|1,0,0]=3 2696 B11R1.74 Cc1nc(O)cc(c1)C(=O)O 1P008GM8 [0,1,0,0,0,1|1,0,0]=3 2697 B11R1.74 Cc1nc(O)nc(c1)C(=O)O 1P01AKEO [0,1,0,0,0,1|1,0,0]=3 2698 B11R1.74 ClC(=O)c1cc(C)cc(c1)C 1P003J5J [0,1,0,0,0,1|2,0,0]=4 2699 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O 1P003431 [0,1,0,0,0,1|2,0,0]=4 2700 B11R1.74 Clc1cc(Br)nc(c1)C(=O)O 1P0095WG [0,1,0,0,0,1|2,0,0]=4 2701 B11R1.74 Clc1cc(C)nc(c1)C(=O)O 1P002ZT0 [0,1,0,0,0,1|2,0,0]=4 2702 B11R1.74 Clc1cc(C)nc(c1)C(=O)O 1P00I1WW [0,1,0,0,0,1|2,0,0]=4 2703 B11R1.74 Clc1cc(Cl)nc(c1)C(=O)O 1P0034C6 [0,1,0,0,0,1|2,0,0]=4 2704 B11R1.74 Clc1cc(I)cc(c1)C(=O)O 1P002XGX [0,1,0,0,0,1|2,0,0]=4 2705 B11R1.74 Clc1nc(Br)cc(c1)C(=O)O 1P0095MA [0,1,0,0,0,1|2,0,0]=4 2706 B11R1.74 Clc1nc(C)nc(c1)C(=O)O 1P01BHW6 [0,1,0,0,0,1|2,0,0]=4 2707 B11R1.74 Clc1nc(Cl)nc(c1)C(=O)O 1P001VMX [0,1,0,0,0,1|2,0,0]=4 2708 B11R1.74 Clc1nc(N)nc(c1)C(=O)O 1P01C1XO [0,1,0,0,0,1|2,0,0]=4 2709 B11R1.74 Fc1cc(Br)cc(c1)C(=O)O 1P00257I [0,1,0,0,0,1|2,0,0]=4 2710 B11R1.74 Fc1cc(Cl)cc(c1)C(=O)O 1P007OQ6 [0,1,0,0,0,1|2,0,0]=4 2711 B11R1.74 Fc1cc(I)cc(c1)C(=O)O 1P005IPC [0,1,0,0,0,1|2,0,0]=4 2712 B11R1.74 Fc1nc(Br)cc(c1)C(=O)O 1P00HGL9 [0,1,0,0,0,1|2,0,0]=4 2713 B11R1.74 Nc1cc(Br)cc(c1)C(=O)O 1P0073K0 [0,1,0,0,0,1|2,0,0]=4 2714 B11R1.74 Nc1cc(Cl)cc(c1)C(=O)O 1P003JD0 [0,1,0,0,0,1|2,0,0]=4 2715 B11R1.74 Nc1cc(Cl)nc(c1)C(=O)O 1P00DK0G [0,1,0,0,0,1|2,0,0]=4 2716 B11R1.74 Nc1cc(F)cc(c1)C(=O)O 1P0052DT [0,1,0,0,0,1|2,0,0]=4 2717 B11R1.74 Nc1cc(I)cc(c1)C(=O)O 1P00078Q [0,1,0,0,0,1|2,0,0]=4 2718 B11R1.74 Nc1cc(O)cc(c1)C(=O)O 1P001I5H [0,1,0,0,0,1|2,0,0]=4 2719 B11R1.74 Nc1cc(O)cc(c1)C(=O)O 1P003JD6 [0,1,0,0,0,1|2,0,0]=4 2720 B11R1.74 Nc1cc(O)nc(c1)C(=O)O 1P01ELWK [0,1,0,0,0,1|2,0,0]=4 2721 B11R1.74 Nc1nc(Br)cc(c1)C(=O)O 1P0095P5 [0,1,0,0,0,1|2,0,0]=4 2722 B11R1.74 Nc1nc(Cl)cc(c1)C(=O)O 1P00ELLG [0,1,0,0,0,1|2,0,0]=4 2723 B11R1.74 Nc1nc(Cl)nc(c1)C(=O)O 1P001VMW [0,1,0,0,0,1|2,0,0]=4 2724 B11R1.74 Nc1nc(N)nc(c1)C(=O)O 1P001VL9 [0,1,0,0,0,1|2,0,0]=4 2725 B11R1.74 O=c1[nH]c(=O)[nH]c(c1)C(=O)O 1P0035WC [0,1,0,0,0,1|2,0,0]=4 2726 B11R1.74 O=c1[nH]c(=O)[nH]c(c1)C(=O)O 1P00DF48 [0,1,0,0,0,1|2,0,0]=4 2727 B11R1.74 O=c1cc(C)[nH]c(c1)C(=O)O 1P00HWZ8 [0,1,0,0,0,1|2,0,0]=4 2728 B11R1.74 O=c1cc(C)oc(c1)C(=O)O 1P00HWZ7 [0,1,0,0,0,1|2,0,0]=4 2729 B11R1.74 OC(=O)c1cc(=O)[nH]c(n1)C 1P00CBC8 [0,1,0,0,0,1|2,0,0]=4 2730 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br 1P003926 [0,1,0,0,0,1|2,0,0]=4 2731 B11R1.74 OC(=O)c1cc(Br)nc(c1)Br 1P002E05 [0,1,0,0,0,1|2,0,0]=4 2732 B11R1.74 OC(=O)c1cc(C)cc(c1)C 1P003J5H [0,1,0,0,0,1|1,0,0]=3 2733 B11R1.74 OC(=O)c1cc(C)nc(c1)C 1P00DC6U [0,1,0,0,0,1|1,0,0]=3 2734 B11R1.74 OC(=O)c1cc(C)nc(c1)C 1P00G9WR [0,1,0,0,0,1|1,0,0]=3 2735 B11R1.74 OC(=O)c1cc(Cl)[nH]c(=O)c1 1P00EK7S [0,1,0,0,0,1|2,0,0]=4 2736 B11R1.74 OC(=O)c1cc(Cl)cc(c1)Cl 1P0033ZY [0,1,0,0,0,1|2,0,0]=4 2737 B11R1.74 OC(=O)c1cc(Cl)cc(c1)Cl 1P01SVAY [0,1,0,0,0,1|2,0,0]=4 2738 B11R1.74 OC(=O)c1cc(Cl)nc(c1)Cl 1P0033HW [0,1,0,0,0,1|2,0,0]=4 2739 B11R1.74 OC(=O)c1cc(F)cc(c1)F 1P003J3G [0,1,0,0,0,1|2,0,0]=4 2740 B11R1.74 OC(=O)c1cc(F)nc(c1)F 1P0049HE [0,1,0,0,0,1|2,0,0]=4 2741 B11R1.74 OC(=O)c1cc(I)cc(c1)I 1P002FE6 [0,1,0,0,0,1|2,0,0]=4 2742 B11R1.74 OC(=O)c1cc(N)cc(c1)N 1P003J1A [0,1,0,0,0,1|2,0,0]=4 2743 B11R1.74 OC(=O)c1cc(N)cc(c1)N 1P003J1B [0,1,0,0,0,1|2,0,0]=4 2744 B11R1.74 OC(=O)c1cc(O)[nH]c(=O)c1 1P00IKO3 [0,1,0,0,0,1|2,0,0]=4 2745 B11R1.74 Oc1cc(=O)oc(c1)C(=O)O 1P01BGS1 [0,1,0,0,0,1|2,0,0]=4 2746 B11R1.74 Oc1cc(Br)cc(c1)C(=O)O 1P001CYX [0,1,0,0,0,1|2,0,0]=4 2747 B11R1.74 Oc1cc(Cl)cc(c1)C(=O)O 1P00IA3H [0,1,0,0,0,1|2,0,0]=4 2748 B11R1.74 Oc1cc(Cl)nc(c1)C(=O)O 1P01RF5H [0,1,0,0,0,1|2,0,0]=4 2749 B11R1.74 Oc1cc(F)cc(c1)C(=O)O 1P004VJZ [0,1,0,0,0,1|2,0,0]=4 2750 B11R1.74 Oc1cc(I)cc(c1)C(=O)O 1P00DCAZ [0,1,0,0,0,1|2,0,0]=4 2751 B11R1.74 Oc1cc(N)nc(c1)C(=O)O 1P01ELWJ [0,1,0,0,0,1|2,0,0]=4 2752 B11R1.74 Oc1cc(O)cc(c1)C(=O)O 1P003J43 [0,1,0,0,0,1|2,0,0]=4 2753 B11R1.74 Oc1cc(O)nc(c1)C(=O)O 1P01A119 [0,1,0,0,0,1|2,0,0]=4 2754 B11R1.74 Oc1nc(Br)cc(c1)C(=O)O 1P01B9EB [0,1,0,0,0,1|2,0,0]=4 2755 B11R1.74 Oc1nc(O)nc(c1)C(=O)O 1P00AO8X [0,1,0,0,0,1|2,0,0]=4 2756 B11R1.74 Sc1cc(Cl)cc(c1)C(=O)O 1P01L0DR [0,1,0,0,0,1|2,0,0]=4 2757 B11R1.155 Cc1cccc(c1)S(=O)(=O)O 1P003SN1 [0,1,0,0,0,1|2,0,0]=4 2758 B11R1.155 Cc1cccc(c1)S(=O)(=O)O 1P00EJF7 [0,1,0,0,0,1|2,0,0]=4 2759 B11R1.155 Cc1cncc(c1)S(=O)(=O)O 1P00DEUN [0,1,0,0,0,1|2,0,0]=4 2760 B11R1.159 CC(=O)c1cccc(c1Br)C 1P00IIM4 [0,1,0,0,0,1|2,0,0]=4 2761 B11R1.159 CC(=O)c1cccc(c1C)C 1P0036P4 [0,1,0,0,0,1|2,0,0]=4 2762 B11R1.159 CC(=O)c1cccc(c1F)C 1P00IEL8 [0,1,0,0,0,1|2,0,0]=4 2763 B11R1.159 CC(=O)c1cccc(c1N)C 1P00DKM6 [0,1,0,0,0,1|2,0,0]=4 2764 B11R1.159 CC(=O)c1cccc(c1O)C 1P0032Z6 [0,1,0,0,0,1|2,0,0]=4 2765 B11R1.159 ClC(=O)c1cccc(c1Cl)C 1P007PAN [0,1,0,0,0,1|2,0,0]=4 2766 B11R1.159 Cn1cncc(c1=O)C(=O)O 1P0077X1 [0,1,0,0,0,1|2,0,0]=4 2767 B11R1.159 NC(=O)c1cccc(c1C)C 1P003G0Y [0,1,0,0,0,1|2,0,0]=4 2768 B11R1.159 NC(=O)c1cccc(c1F)C 1P000293 [0,1,0,0,0,1|2,0,0]=4 2769 B11R1.159 NC(=O)c1cccc(c1I)C 1P01K0VL [0,1,0,0,0,1|2,0,0]=4 2770 B11R1.159 NC(=O)c1cccc(c1N)C 1P002HED [0,1,0,0,0,1|2,0,0]=4 2771 B11R1.159 NC(=O)c1cccc(c1O)C 1P001CHL [0,1,0,0,0,1|2,0,0]=4 2772 B11R1.159 OC(=O)c1[nH]cnc(=O)c1F 1P01S7L6 [0,1,0,0,0,1|2,0,0]=4 2773 B11R1.159 OC(=O)c1cccc(c1Br)Br 1P00EDN3 [0,1,0,0,0,1|2,0,0]=4 2774 B11R1.159 OC(=O)c1cccc(c1Br)C 1P003H3Q [0,1,0,0,0,1|1,0,0]=3 2775 B11R1.159 OC(=O)c1cccc(c1Br)Cl 1P00EDUQ [0,1,0,0,0,1|2,0,0]=4 2776 B11R1.159 OC(=O)c1cccc(c1Br)F 1P0011I8 [0,1,0,0,0,1|2,0,0]=4 2777 B11R1.159 OC(=O)c1cccc(c1Br)I 1P0053BH [0,1,0,0,0,1|2,0,0]=4 2778 B11R1.159 OC(=O)c1cccc(c1Br)N 1P001YTB [0,1,0,0,0,1|2,0,0]=4 2779 B11R1.159 OC(=O)c1cccc(c1Br)N 1P028XY5 [0,1,0,0,0,1|2,0,0]=4 2780 B11R1.159 OC(=O)c1cccc(c1Br)O 1P006FN6 [0,1,0,0,0,1|2,0,0]=4 2781 B11R1.159 OC(=O)c1cccc(c1C)Br 1P00342N [0,1,0,0,0,1|2,0,0]=4 2782 B11R1.159 OC(=O)c1cccc(c1C)Cl 1P003JNW [0,1,0,0,0,1|2,0,0]=4 2783 B11R1.159 OC(=O)c1cccc(c1C)F 1P003JVX [0,1,0,0,0,1|2,0,0]=4 2784 B11R1.159 OC(=O)c1cccc(c1C)I 1P0014WQ [0,1,0,0,0,1|2,0,0]=4 2785 B11R1.159 OC(=O)c1cccc(c1C)N 1P00I9SE [0,1,0,0,0,1|2,0,0]=4 2786 B11R1.159 OC(=O)c1cccc(c1C)O 1P00346U [0,1,0,0,0,1|2,0,0]=4 2787 B11R1.159 OC(=O)c1cccc(c1Cl)Br 1P003JGV [0,1,0,0,0,1|2,0,0]=4 2788 B11R1.159 OC(=O)c1cccc(c1Cl)C 1P003HCK [0,1,0,0,0,1|1,0,0]=3 2789 B11R1.159 OC(=O)c1cccc(c1Cl)Cl 1P0037VY [0,1,0,0,0,1|2,0,0]=4 2790 B11R1.159 OC(=O)c1cccc(c1Cl)F 1P003HC3 [0,1,0,0,0,1|2,0,0]=4 2791 B11R1.159 OC(=O)c1cccc(c1Cl)I 1P003ATQ [0,1,0,0,0,1|2,0,0]=4 2792 B11R1.159 OC(=O)c1cccc(c1Cl)N 1P007ULN [0,1,0,0,0,1|2,0,0]=4 2793 B11R1.159 OC(=O)c1cccc(c1Cl)O 1P00DBW5 [0,1,0,0,0,1|2,0,0]=4 2794 B11R1.159 OC(=O)c1cccc(c1F)Br 1P001T0S [0,1,0,0,0,1|2,0,0]=4 2795 B11R1.159 OC(=O)c1cccc(c1F)C 1P003HPI [0,1,0,0,0,1|1,0,0]=3 2796 B11R1.159 OC(=O)c1cccc(c1F)Cl 1P001T0T [0,1,0,0,0,1|2,0,0]=4 2797 B11R1.159 OC(=O)c1cccc(c1F)F 1P00I8YK [0,1,0,0,0,1|2,0,0]=4 2798 B11R1.159 OC(=O)c1cccc(c1F)I 1P00DA39 [0,1,0,0,0,1|2,0,0]=4 2799 B11R1.159 OC(=O)c1cccc(c1F)N 1P00GV3A [0,1,0,0,0,1|2,0,0]=4 2800 B11R1.159 OC(=O)c1cccc(c1F)O 1P003HPD [0,1,0,0,0,1|2,0,0]=4 2801 B11R1.159 OC(=O)c1cccc(c1I)Br 1P00DGHR [0,1,0,0,0,1|2,0,0]=4 2802 B11R1.159 OC(=O)c1cccc(c1I)C 1P003HX5 [0,1,0,0,0,1|1,0,0]=3 2803 B11R1.159 OC(=O)c1cccc(c1I)Cl 1P000KQ7 [0,1,0,0,0,1|2,0,0]=4 2804 B11R1.159 OC(=O)c1cccc(c1I)F 1P00C0NV [0,1,0,0,0,1|2,0,0]=4 2805 B11R1.159 OC(=O)c1cccc(c1I)O 1P01KZLS [0,1,0,0,0,1|2,0,0]=4 2806 B11R1.159 OC(=O)c1cccc(c1N)Br 1P002JQ8 [0,1,0,0,0,1|2,0,0]=4 2807 B11R1.159 OC(=O)c1cccc(c1N)C 1P003GUE [0,1,0,0,0,1|1,0,0]=3 2808 B11R1.159 OC(=O)c1cccc(c1N)Cl 1P003GU2 [0,1,0,0,0,1|2,0,0]=4 2809 B11R1.159 OC(=O)c1cccc(c1N)F 1P003GU8 [0,1,0,0,0,1|2,0,0]=4 2810 B11R1.159 OC(=O)c1cccc(c1N)I 1P002JQ5 [0,1,0,0,0,1|2,0,0]=4 2811 B11R1.159 OC(=O)c1cccc(c1N)N 1P01DWDE [0,1,0,0,0,1|2,0,0]=4 2812 B11R1.159 OC(=O)c1cccc(c1N)N 1P0287V1 [0,1,0,0,0,1|2,0,0]=4 2813 B11R1.159 OC(=O)c1cccc(c1N)O 1P0036K7 [0,1,0,0,0,1|2,0,0]=4 2814 B11R1.159 OC(=O)c1cccc(c1N)O 1P003K0W [0,1,0,0,0,1|2,0,0]=4 2815 B11R1.159 OC(=O)c1cccc(c1N)S 1P028A14 [0,1,0,0,0,1|2,0,0]=4 2816 B11R1.159 OC(=O)c1cccc(c1O)C 1P0036AP [0,1,0,0,0,1|1,0,0]=3 2817 B11R1.159 OC(=O)c1cccc(c1O)Cl 1P0024OW [0,1,0,0,0,1|2,0,0]=4 2818 B11R1.159 OC(=O)c1cccc(c1O)F 1P003JVR [0,1,0,0,0,1|2,0,0]=4 2819 B11R1.159 OC(=O)c1cccc(c1O)O 1P00300K [0,1,0,0,0,1|2,0,0]=4 2820 B11R1.159 OC(=O)c1cccc(c1S)F 1P02839B [0,1,0,0,0,1|2,0,0]=4 2821 B11R1.159 OC(=O)c1cccn(c1=O)C 1P001O2K [0,1,0,0,0,1|2,0,0]=4 2822 B11R1.159 OC(=O)c1ccnc(c1Br)Br 1P0006R5 [0,1,0,0,0,1|2,0,0]=4 2823 B11R1.159 OC(=O)c1ccnc(c1Br)Cl 1P00A63T [0,1,0,0,0,1|2,0,0]=4 2824 B11R1.159 OC(=O)c1ccnc(c1C)Br 1P009W63 [0,1,0,0,0,1|2,0,0]=4 2825 B11R1.159 OC(=O)c1ccnc(c1C)C 1P00DLCQ [0,1,0,0,0,1|1,0,0]=3 2826 B11R1.159 OC(=O)c1ccnc(c1C)C 1P01KKSB [0,1,0,0,0,1|1,0,0]=3 2827 B11R1.159 OC(=O)c1ccnc(c1C)Cl 1P003HCI [0,1,0,0,0,1|2,0,0]=4 2828 B11R1.159 OC(=O)c1ccnc(c1Cl)Br 1P0015ES [0,1,0,0,0,1|2,0,0]=4 2829 B11R1.159 OC(=O)c1ccnc(c1Cl)C 1P0290EM [0,1,0,0,0,1|1,0,0]=3 2830 B11R1.159 OC(=O)c1ccnc(c1Cl)F 1P005EC2 [0,1,0,0,0,1|2,0,0]=4 2831 B11R1.159 OC(=O)c1ccnc(c1Cl)N 1P028BQY [0,1,0,0,0,1|2,0,0]=4 2832 B11R1.159 OC(=O)c1ccnc(c1F)Br 1P003H3E [0,1,0,0,0,1|2,0,0]=4 2833 B11R1.159 OC(=O)c1ccnc(c1F)Cl 1P003HC5 [0,1,0,0,0,1|2,0,0]=4 2834 B11R1.159 OC(=O)c1ccnc(c1F)F 1P0033EG [0,1,0,0,0,1|2,0,0]=4 2835 B11R1.159 OC(=O)c1ccnc(c1F)I 1P007JPI [0,1,0,0,0,1|2,0,0]=4 2836 B11R1.159 OC(=O)c1ccnc(c1F)N 1P01KKK3 [0,1,0,0,0,1|2,0,0]=4 2837 B11R1.159 OC(=O)c1ccnc(c1F)O 1P0288QB [0,1,0,0,0,1|2,0,0]=4 2838 B11R1.159 OC(=O)c1ccnc(c1I)Cl 1P01A3ON [0,1,0,0,0,1|2,0,0]=4 2839 B11R1.159 OC(=O)c1ccnc(c1I)F 1P0286DN [0,1,0,0,0,1|2,0,0]=4 2840 B11R1.159 OC(=O)c1ccnc(c1N)Br 1P009ZCO [0,1,0,0,0,1|2,0,0]=4 2841 B11R1.159 OC(=O)c1ccnc(c1N)C 1P000KBD [0,1,0,0,0,1|1,0,0]=3 2842 B11R1.159 OC(=O)c1ccnc(c1N)C 1P02903T [0,1,0,0,0,1|1,0,0]=3 2843 B11R1.159 OC(=O)c1ccnc(c1N)Cl 1P00EGNM [0,1,0,0,0,1|2,0,0]=4 2844 B11R1.159 OC(=O)c1ccnc(c1N)F 1P01B228 [0,1,0,0,0,1|2,0,0]=4 2845 B11R1.159 OC(=O)c1ccnc(c1N)F 1P0284YF [0,1,0,0,0,1|2,0,0]=4 2846 B11R1.159 OC(=O)c1ccnc(c1N)N 1P01A2L4 [0,1,0,0,0,1|2,0,0]=4 2847 B11R1.159 OC(=O)c1ccnc(c1N)N 1P01A2UT [0,1,0,0,0,1|2,0,0]=4 2848 B11R1.159 OC(=O)c1ccnc(c1N)O 1P0297Q6 [0,1,0,0,0,1|2,0,0]=4 2849 B11R1.159 OC(=O)c1ccnc(c1O)Br 1P0293CP [0,1,0,0,0,1|2,0,0]=4 2850 B11R1.159 OC(=O)c1ccnc(c1O)C 1P028NJ0 [0,1,0,0,0,1|1,0,0]=3 2851 B11R1.159 OC(=O)c1ccnc(c1O)Cl 1P00AKRB [0,1,0,0,0,1|2,0,0]=4 2852 B11R1.159 OC(=O)c1ccnc(c1O)F 1P01K2RW [0,1,0,0,0,1|2,0,0]=4 2853 B11R1.159 OC(=O)c1ccnc(c1O)O 1P028DXF [0,1,0,0,0,1|2,0,0]=4 2854 B11R1.159 OC(=O)c1cncc(c1C)Br 1P00FFSJ [0,1,0,0,0,1|2,0,0]=4 2855 B11R1.159 OC(=O)c1cncc(c1C)C 1P028H0B [0,1,0,0,0,1|1,0,0]=3 2856 B11R1.159 OC(=O)c1cncc(c1C)Cl 1P01AFRS [0,1,0,0,0,1|2,0,0]=4 2857 B11R1.159 OC(=O)c1cncc(c1C)F 1P00AAEB [0,1,0,0,0,1|2,0,0]=4 2858 B11R1.159 OC(=O)c1cncc(c1C)N 1P018BOZ [0,1,0,0,0,1|2,0,0]=4 2859 B11R1.159 OC(=O)c1cncc(c1Cl)Br 1P000OU4 [0,1,0,0,0,1|2,0,0]=4 2860 B11R1.159 OC(=O)c1cncc(c1Cl)C 1P01A4PO [0,1,0,0,0,1|1,0,0]=3 2861 B11R1.159 OC(=O)c1cncc(c1Cl)Cl 1P00DCF0 [0,1,0,0,0,1|2,0,0]=4 2862 B11R1.159 OC(=O)c1cncc(c1Cl)F 1P00IEBW [0,1,0,0,0,1|2,0,0]=4 2863 B11R1.159 OC(=O)c1cncc(c1Cl)O 1P02923W [0,1,0,0,0,1|2,0,0]=4 2864 B11R1.159 OC(=O)c1cncc(c1I)Br 1P003N02 [0,1,0,0,0,1|2,0,0]=4 2865 B11R1.159 OC(=O)c1cncc(c1N)Br 1P0037KJ [0,1,0,0,0,1|2,0,0]=4 2866 B11R1.159 OC(=O)c1cncc(c1N)Br 1P01FIWF [0,1,0,0,0,1|2,0,0]=4 2867 B11R1.159 OC(=O)c1cncc(c1O)Br 1P0085RA [0,1,0,0,0,1|2,0,0]=4 2868 B11R1.159 OC(=O)c1cncc(c1O)C 1P01A3F1 [0,1,0,0,0,1|1,0,0]=3 2869 B11R1.159 OC(=O)c1cncc(c1O)Cl 1P01B26M [0,1,0,0,0,1|2,0,0]=4 2870 B11R1.159 OC(=O)c1cncc(c1O)F 1P01B22D [0,1,0,0,0,1|2,0,0]=4 2871 B11R1.159 OC(=O)c1cnnc(c1C)C 1P027ZL3 [0,1,0,0,0,1|1,0,0]=3 2872 B11R1.159 OC(=O)c1nc[nH]c(=O)c1Cl 1P00IH6T [0,1,0,0,0,1|2,0,0]=4 2873 B11R1.159 OC(=O)c1nccc(c1Br)Br 1P028T4T [0,1,0,0,0,1|2,0,0]=4 2874 B11R1.159 OC(=O)c1nccc(c1Br)C 1P0249AW [0,1,0,0,0,1|1,0,0]=3 2875 B11R1.159 OC(=O)c1nccc(c1C)Br 1P0074G7 [0,1,0,0,0,1|2,0,0]=4 2876 B11R1.159 OC(=O)c1nccc(c1C)Cl 1P002ZSZ [0,1,0,0,0,1|2,0,0]=4 2877 B11R1.159 OC(=O)c1nccc(c1C)Cl 1P028F7I [0,1,0,0,0,1|2,0,0]=4 2878 B11R1.159 OC(=O)c1nccc(c1C)N 1P028S2R [0,1,0,0,0,1|2,0,0]=4 2879 B11R1.159 OC(=O)c1nccc(c1C)O 1P027WF1 [0,1,0,0,0,1|2,0,0]=4 2880 B11R1.159 OC(=O)c1nccc(c1Cl)Cl 1P0033Z4 [0,1,0,0,0,1|2,0,0]=4 2881 B11R1.159 OC(=O)c1nccc(c1Cl)F 1P028S5G [0,1,0,0,0,1|2,0,0]=4 2882 B11R1.159 OC(=O)c1nccc(c1Cl)N 1P00583Q [0,1,0,0,0,1|2,0,0]=4 2883 B11R1.159 OC(=O)c1nccc(c1Cl)N 1P028PPW [0,1,0,0,0,1|2,0,0]=4 2884 B11R1.159 OC(=O)c1nccc(c1F)C 1P027ZEP [0,1,0,0,0,1|1,0,0]=3 2885 B11R1.159 OC(=O)c1nccc(c1F)Cl 1P01A4YO [0,1,0,0,0,1|2,0,0]=4 2886 B11R1.159 OC(=O)c1nccc(c1N)C 1P00E45O [0,1,0,0,0,1|1,0,0]=3 2887 B11R1.159 OC(=O)c1nccc(c1N)C 1P028AG0 [0,1,0,0,0,1|1,0,0]=3 2888 B11R1.159 OC(=O)c1nccc(c1O)Br 1P01BGOW [0,1,0,0,0,1|2,0,0]=4 2889 B11R1.159 OC(=O)c1nccc(c1O)Br 1P028QAY [0,1,0,0,0,1|2,0,0]=4 2890 B11R1.159 OC(=O)c1nccc(c1O)C 1P01B7CB [0,1,0,0,0,1|1,0,0]=3 2891 B11R1.159 OC(=O)c1nccc(c1O)C 1P01BSPE [0,1,0,0,0,1|1,0,0]=3 2892 B11R1.159 OC(=O)c1ncnc(c1Br)O 1P009I6B [0,1,0,0,0,1|2,0,0]=4 2893 B11R1.159 OC(=O)c1ncnc(c1C)C 1P00II1S [0,1,0,0,0,1|1,0,0]=3 2894 B11R1.159 OC(=O)c1ncnc(c1C)Cl 1P006GOE [0,1,0,0,0,1|2,0,0]=4 2895 B11R1.159 OC(=O)c1ncnc(c1Cl)Cl 1P00IH6U [0,1,0,0,0,1|2,0,0]=4 2896 B11R1.159 OC(=O)c1ncnc(c1Cl)N 1P006ABH [0,1,0,0,0,1|2,0,0]=4 2897 B11R1.159 OC(=O)c1ncnc(c1F)Cl 1P01FJ57 [0,1,0,0,0,1|2,0,0]=4 2898 B11R1.159 OC(=O)c1ncnc(c1O)C 1P027Q0S [0,1,0,0,0,1|1,0,0]=3 2899 B11R1.159 OC(=O)c1ncnc(c1O)O 1P00DK9F [0,1,0,0,0,1|2,0,0]=4 2900 B11R1.159 [O-]C(=O)c1cccc(c1O)C 1P003K8M [0,1,0,0,0,1|1,0,1]=4 2901 B11R1.159 [O-]C(=O)c1cccc(c1O)C 1P00CJ8W [0,1,0,0,0,1|1,0,1]=4 2902 B11R1.167 Brc1c[nH]c(=O)c(c1)C(=O)O 1P007HFQ [0,1,0,0,0,1|2,0,0]=4 2903 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br 1P0033GP [0,1,0,0,0,1|2,0,0]=4 2904 B11R1.167 Brc1ccc(c(c1)C(=O)O)C 1P0034OE [0,1,0,0,0,1|2,0,0]=4 2905 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl 1P0034O7 [0,1,0,0,0,1|2,0,0]=4 2906 B11R1.167 Brc1ccc(c(c1)C(=O)O)F 1P001ECO [0,1,0,0,0,1|2,0,0]=4 2907 B11R1.167 Brc1ccc(c(c1)C(=O)O)I 1P003MY1 [0,1,0,0,0,1|2,0,0]=4 2908 B11R1.167 Brc1ccc(c(c1)C(=O)O)N 1P0033K8 [0,1,0,0,0,1|2,0,0]=4 2909 B11R1.167 Brc1ccc(c(c1)C(=O)O)O 1P0034P9 [0,1,0,0,0,1|2,0,0]=4 2910 B11R1.167 Brc1cnc(c(c1)C(=O)O)Br 1P002YIF [0,1,0,0,0,1|2,0,0]=4 2911 B11R1.167 Brc1cnc(c(c1)C(=O)O)C 1P0038HX [0,1,0,0,0,1|2,0,0]=4 2912 B11R1.167 Brc1cnc(c(c1)C(=O)O)Cl 1P002Y9V [0,1,0,0,0,1|2,0,0]=4 2913 B11R1.167 Brc1cnc(c(c1)C(=O)O)F 1P002YB0 [0,1,0,0,0,1|2,0,0]=4 2914 B11R1.167 Brc1cnc(c(c1)C(=O)O)N 1P00DMD5 [0,1,0,0,0,1|2,0,0]=4 2915 B11R1.167 Brc1cnc(c(c1)C(=O)O)N 1P00I9WN [0,1,0,0,0,1|2,0,0]=4 2916 B11R1.167 Brc1cnc(c(c1)C(=O)O)S 1P01AJMI [0,1,0,0,0,1|2,0,0]=4 2917 B11R1.167 Brc1ncc(c(c1)C(=O)O)Br 1P00GUQR [0,1,0,0,0,1|2,0,0]=4 2918 B11R1.167 Brc1ncc(c(c1)C(=O)O)Cl 1P00DBQV [0,1,0,0,0,1|2,0,0]=4 2919 B11R1.167 Brc1ncc(c(c1)C(=O)O)F 1P004EJW [0,1,0,0,0,1|2,0,0]=4 2920 B11R1.167 Brc1ncc(c(c1)C(=O)O)N 1P000M6Q [0,1,0,0,0,1|2,0,0]=4 2921 B11R1.167 Cc1c[nH]c(=O)c(c1)C(=O)O 1P00CLY0 [0,1,0,0,0,1|1,0,0]=3 2922 B11R1.167 Cc1ccc(c(c1)C(=O)C)Br 1P00GAT6 [0,1,0,0,0,1|2,0,0]=4 2923 B11R1.167 Cc1ccc(c(c1)C(=O)C)C 1P0033H7 [0,1,0,0,0,1|2,0,0]=4 2924 B11R1.167 Cc1ccc(c(c1)C(=O)C)Cl 1P01V4LI [0,1,0,0,0,1|2,0,0]=4 2925 B11R1.167 Cc1ccc(c(c1)C(=O)C)F 1P003BOS [0,1,0,0,0,1|2,0,0]=4 2926 B11R1.167 Cc1ccc(c(c1)C(=O)C)N 1P00BQFJ [0,1,0,0,0,1|2,0,0]=4 2927 B11R1.167 Cc1ccc(c(c1)C(=O)C)O 1P001KX0 [0,1,0,0,0,1|2,0,0]=4 2928 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)C 1P00BDAF [0,1,0,0,0,1|2,0,0]=4 2929 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F 1P003HR3 [0,1,0,0,0,1|2,0,0]=4 2930 B11R1.167 Cc1ccc(c(c1)C(=O)N)C 1P00EO1G [0,1,0,0,0,1|2,0,0]=4 2931 B11R1.167 Cc1ccc(c(c1)C(=O)N)F 1P00GVBI [0,1,0,0,0,1|2,0,0]=4 2932 B11R1.167 Cc1ccc(c(c1)C(=O)N)N 1P00772Z [0,1,0,0,0,1|2,0,0]=4 2933 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 1P00380H [0,1,0,0,0,1|2,0,0]=4 2934 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br 1P003H6R [0,1,0,0,0,1|1,0,0]=3 2935 B11R1.167 Cc1ccc(c(c1)C(=O)O)C 1P003GGE [0,1,0,0,0,1|1,0,0]=3 2936 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl 1P0037FO [0,1,0,0,0,1|1,0,0]=3 2937 B11R1.167 Cc1ccc(c(c1)C(=O)O)F 1P003NOJ [0,1,0,0,0,1|1,0,0]=3 2938 B11R1.167 Cc1ccc(c(c1)C(=O)O)I 1P00D96L [0,1,0,0,0,1|1,0,0]=3 2939 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 1P003GXZ [0,1,0,0,0,1|1,0,0]=3 2940 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 1P003ZSU [0,1,0,0,0,1|1,0,0]=3 2941 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br 1P0036YE [0,1,0,0,0,1|2,0,0]=4 2942 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br 1P01BJRC [0,1,0,0,0,1|2,0,0]=4 2943 B11R1.167 Cc1ccc(c(n1)C(=O)O)C 1P004THZ [0,1,0,0,0,1|2,0,0]=4 2944 B11R1.167 Cc1ccc(c(n1)C(=O)O)C 1P01FKMT [0,1,0,0,0,1|2,0,0]=4 2945 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl 1P00IG6V [0,1,0,0,0,1|2,0,0]=4 2946 B11R1.167 Cc1ccc(c(n1)C(=O)O)F 1P009DUM [0,1,0,0,0,1|2,0,0]=4 2947 B11R1.167 Cc1ccc(c(n1)C(=O)O)F 1P028ID0 [0,1,0,0,0,1|2,0,0]=4 2948 B11R1.167 Cc1ccc(c(n1)C(=O)O)N 1P00DNDY [0,1,0,0,0,1|2,0,0]=4 2949 B11R1.167 Cc1ccc(c(n1)C(=O)O)O 1P001H5Y [0,1,0,0,0,1|2,0,0]=4 2950 B11R1.167 Cc1cnc(c(c1)C(=O)C)Cl 1P0048IR [0,1,0,0,0,1|2,0,0]=4 2951 B11R1.167 Cc1cnc(c(c1)C(=O)N)Cl 1P00ELLE [0,1,0,0,0,1|2,0,0]=4 2952 B11R1.167 Cc1cnc(c(c1)C(=O)N)N 1P0007BB [0,1,0,0,0,1|2,0,0]=4 2953 B11R1.167 Cc1cnc(c(c1)C(=O)O)C 1P028OML [0,1,0,0,0,1|1,0,0]=3 2954 B11R1.167 Cc1cnc(c(c1)C(=O)O)Cl 1P00FBJ9 [0,1,0,0,0,1|1,0,0]=3 2955 B11R1.167 Cc1cnc(c(c1)C(=O)O)F 1P008YBJ [0,1,0,0,0,1|1,0,0]=3 2956 B11R1.167 Cc1cnc(c(c1)C(=O)O)N 1P00D8VH [0,1,0,0,0,1|1,0,0]=3 2957 B11R1.167 Cc1cnc(c(n1)C(=O)O)C 1P00BGLH [0,1,0,0,0,1|2,0,0]=4 2958 B11R1.167 Cc1cnc(c(n1)C(=O)O)N 1P00DIDA [0,1,0,0,0,1|2,0,0]=4 2959 B11R1.167 Cc1n[nH]c(=O)c(c1)C(=O)O 1P005B7J [0,1,0,0,0,1|1,0,0]=3 2960 B11R1.167 Cc1ncc(c(c1)C(=O)C)Cl 1P0292A1 [0,1,0,0,0,1|2,0,0]=4 2961 B11R1.167 Cc1ncc(c(c1)C(=O)O)Br 1P01SK8R [0,1,0,0,0,1|1,0,0]=3 2962 B11R1.167 Cc1ncc(c(c1)C(=O)O)C 1P0066YL [0,1,0,0,0,1|1,0,0]=3 2963 B11R1.167 Cc1ncc(c(c1)C(=O)O)C 1P01FKMU [0,1,0,0,0,1|1,0,0]=3 2964 B11R1.167 Cc1ncc(c(c1)C(=O)O)Cl 1P008URR [0,1,0,0,0,1|1,0,0]=3 2965 B11R1.167 Cc1ncc(c(c1)C(=O)O)F 1P00IFNY [0,1,0,0,0,1|1,0,0]=3 2966 B11R1.167 Cc1ncc(c(c1)C(=O)O)N 1P004AVZ [0,1,0,0,0,1|1,0,0]=3 2967 B11R1.167 Cc1ncc(c(c1)C(=O)O)N 1P00HYGF [0,1,0,0,0,1|1,0,0]=3 2968 B11R1.167 Cc1ncc(c(c1)C(=O)O)O 1P00J3B5 [0,1,0,0,0,1|1,0,0]=3 2969 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br 1P00035L [0,1,0,0,0,1|2,0,0]=4 2970 B11R1.167 Cc1ncc(c(n1)C(=O)O)Cl 1P0059AR [0,1,0,0,0,1|2,0,0]=4 2971 B11R1.167 Cc1nnc(c(c1)C(=O)O)C 1P019T97 [0,1,0,0,0,1|1,0,0]=3 2972 B11R1.167 Cc1nnc(c(c1)C(=O)O)Cl 1P00GVD4 [0,1,0,0,0,1|1,0,0]=3 2973 B11R1.167 Clc1ccc(c(c1)C(=O)O)Br 1P003H61 [0,1,0,0,0,1|2,0,0]=4 2974 B11R1.167 Clc1ccc(c(c1)C(=O)O)C 1P003N43 [0,1,0,0,0,1|2,0,0]=4 2975 B11R1.167 Clc1ccc(c(c1)C(=O)O)Cl 1P0033GU [0,1,0,0,0,1|2,0,0]=4 2976 B11R1.167 Clc1ccc(c(c1)C(=O)O)F 1P003N34 [0,1,0,0,0,1|2,0,0]=4 2977 B11R1.167 Clc1ccc(c(c1)C(=O)O)I 1P009DJG [0,1,0,0,0,1|2,0,0]=4 2978 B11R1.167 Clc1ccc(c(c1)C(=O)O)N 1P0033KC [0,1,0,0,0,1|2,0,0]=4 2979 B11R1.167 Clc1ccc(c(c1)C(=O)O)O 1P0037U3 [0,1,0,0,0,1|2,0,0]=4 2980 B11R1.167 Clc1ccc(c(c1)C(=O)O)S 1P002983 [0,1,0,0,0,1|2,0,0]=4 2981 B11R1.167 Clc1cnc(c(c1)C(=O)O)Br 1P00EA8I [0,1,0,0,0,1|2,0,0]=4 2982 B11R1.167 Clc1cnc(c(c1)C(=O)O)C 1P007BS1 [0,1,0,0,0,1|2,0,0]=4 2983 B11R1.167 Clc1cnc(c(c1)C(=O)O)Cl 1P003GE7 [0,1,0,0,0,1|2,0,0]=4 2984 B11R1.167 Clc1cnc(c(c1)C(=O)O)F 1P003N39 [0,1,0,0,0,1|2,0,0]=4 2985 B11R1.167 Clc1cnc(c(c1)C(=O)O)N 1P00D8VQ [0,1,0,0,0,1|2,0,0]=4 2986 B11R1.167 Clc1cnc(c(c1)C(=O)O)O 1P003N3J [0,1,0,0,0,1|2,0,0]=4 2987 B11R1.167 Clc1ncc(c(c1)C(=O)O)Br 1P004AI8 [0,1,0,0,0,1|2,0,0]=4 2988 B11R1.167 Clc1ncc(c(c1)C(=O)O)C 1P019T95 [0,1,0,0,0,1|2,0,0]=4 2989 B11R1.167 Clc1ncc(c(c1)C(=O)O)Cl 1P003GEG [0,1,0,0,0,1|2,0,0]=4 2990 B11R1.167 Clc1ncc(c(c1)C(=O)O)F 1P004K0B [0,1,0,0,0,1|2,0,0]=4 2991 B11R1.167 Clc1ncc(c(c1)C(=O)O)N 1P0036PB [0,1,0,0,0,1|2,0,0]=4 2992 B11R1.167 Clc1ncc(c(c1)C(=O)O)O 1P003HFO [0,1,0,0,0,1|2,0,0]=4 2993 B11R1.167 Clc1nnc(c(c1)C(=O)O)C 1P0291JI [0,1,0,0,0,1|2,0,0]=4 2994 B11R1.167 Clc1nnc(c(c1)C(=O)O)Cl 1P00340N [0,1,0,0,0,1|2,0,0]=4 2995 B11R1.167 Clc1nnc(c(c1)C(=O)O)N 1P028UVS [0,1,0,0,0,1|2,0,0]=4 2996 B11R1.167 Clc1nnc(c(c1)C(=O)O)O 1P00DIC6 [0,1,0,0,0,1|2,0,0]=4 2997 B11R1.167 Cn1ccc(=O)c(c1)C(=O)O 1P00938H [0,1,0,0,0,1|2,0,0]=4 2998 B11R1.167 Fc1ccc(c(c1)C(=O)O)Br 1P0033MA [0,1,0,0,0,1|2,0,0]=4 2999 B11R1.167 Fc1ccc(c(c1)C(=O)O)C 1P0033UR [0,1,0,0,0,1|2,0,0]=4 3000 B11R1.167 Fc1ccc(c(c1)C(=O)O)Cl 1P003HFB [0,1,0,0,0,1|2,0,0]=4 3001 B11R1.167 Fc1ccc(c(c1)C(=O)O)F 1P003GF0 [0,1,0,0,0,1|2,0,0]=4 3002 B11R1.167 Fc1ccc(c(c1)C(=O)O)I 1P003N7F [0,1,0,0,0,1|2,0,0]=4 3003 B11R1.167 Fc1ccc(c(c1)C(=O)O)N 1P003GXN [0,1,0,0,0,1|2,0,0]=4 3004 B11R1.167 Fc1ccc(c(c1)C(=O)O)O 1P00I7A4 [0,1,0,0,0,1|2,0,0]=4 3005 B11R1.167 Fc1ccc(c(c1)C(=O)O)S 1P000QTN [0,1,0,0,0,1|2,0,0]=4 3006 B11R1.167 Fc1cnc(c(c1)C(=O)O)Br 1P00C7NY [0,1,0,0,0,1|2,0,0]=4 3007 B11R1.167 Fc1cnc(c(c1)C(=O)O)Cl 1P003HFD [0,1,0,0,0,1|2,0,0]=4 3008 B11R1.167 Fc1cnc(c(c1)C(=O)O)F 1P004R93 [0,1,0,0,0,1|2,0,0]=4 3009 B11R1.167 Fc1cnc(c(c1)C(=O)O)N 1P000PSX [0,1,0,0,0,1|2,0,0]=4 3010 B11R1.167 Fc1cnc(c(c1)C(=O)O)O 1P004K0A [0,1,0,0,0,1|2,0,0]=4 3011 B11R1.167 Fc1ncc(c(c1)C(=O)O)Br 1P0015ER [0,1,0,0,0,1|2,0,0]=4 3012 B11R1.167 Fc1ncc(c(c1)C(=O)O)C 1P0095OF [0,1,0,0,0,1|2,0,0]=4 3013 B11R1.167 Fc1ncc(c(c1)C(=O)O)Cl 1P024FE1 [0,1,0,0,0,1|2,0,0]=4 3014 B11R1.167 Fc1ncc(c(c1)C(=O)O)F 1P004NNJ [0,1,0,0,0,1|2,0,0]=4 3015 B11R1.167 Fc1ncc(c(c1)C(=O)O)I 1P0291CF [0,1,0,0,0,1|2,0,0]=4 3016 B11R1.167 Fc1ncc(c(c1)C(=O)O)N 1P007UP3 [0,1,0,0,0,1|2,0,0]=4 3017 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br 1P0036BE [0,1,0,0,0,1|2,0,0]=4 3018 B11R1.167 Ic1ccc(c(c1)C(=O)O)C 1P003N9R [0,1,0,0,0,1|2,0,0]=4 3019 B11R1.167 Ic1ccc(c(c1)C(=O)O)Cl 1P002FE4 [0,1,0,0,0,1|2,0,0]=4 3020 B11R1.167 Ic1ccc(c(c1)C(=O)O)F 1P000N3G [0,1,0,0,0,1|2,0,0]=4 3021 B11R1.167 Ic1ccc(c(c1)C(=O)O)I 1P001HUM [0,1,0,0,0,1|2,0,0]=4 3022 B11R1.167 Ic1ccc(c(c1)C(=O)O)N 1P0033KH [0,1,0,0,0,1|2,0,0]=4 3023 B11R1.167 Ic1ccc(c(c1)C(=O)O)O 1P003HVG [0,1,0,0,0,1|2,0,0]=4 3024 B11R1.167 Ic1cnc(c(c1)C(=O)O)Br 1P00EQR8 [0,1,0,0,0,1|2,0,0]=4 3025 B11R1.167 Ic1cnc(c(c1)C(=O)O)Cl 1P00EAYU [0,1,0,0,0,1|2,0,0]=4 3026 B11R1.167 Ic1cnc(c(c1)C(=O)O)N 1P00DIEJ [0,1,0,0,0,1|2,0,0]=4 3027 B11R1.167 Ic1cnc(c(c1)C(=O)O)O 1P00772C [0,1,0,0,0,1|2,0,0]=4 3028 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br 1P00BD5V [0,1,0,0,0,1|2,0,0]=4 3029 B11R1.167 Nc1ccc(c(c1)C(=O)O)C 1P00I5SH [0,1,0,0,0,1|2,0,0]=4 3030 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl 1P003MTU [0,1,0,0,0,1|2,0,0]=4 3031 B11R1.167 Nc1ccc(c(c1)C(=O)O)F 1P003MTY [0,1,0,0,0,1|2,0,0]=4 3032 B11R1.167 Nc1ccc(c(c1)C(=O)O)I 1P01OZIP [0,1,0,0,0,1|2,0,0]=4 3033 B11R1.167 Nc1ccc(c(c1)C(=O)O)N 1P000HE0 [0,1,0,0,0,1|2,0,0]=4 3034 B11R1.167 Nc1ccc(c(c1)C(=O)O)N 1P00E9JO [0,1,0,0,0,1|2,0,0]=4 3035 B11R1.167 Nc1ccc(c(c1)C(=O)O)O 1P003MVD [0,1,0,0,0,1|2,0,0]=4 3036 B11R1.167 Nc1cnc(c(c1)C(=O)O)Br 1P028XEX [0,1,0,0,0,1|2,0,0]=4 3037 B11R1.167 Nc1cnc(c(c1)C(=O)O)C 1P007BS0 [0,1,0,0,0,1|2,0,0]=4 3038 B11R1.167 Nc1cnc(c(c1)C(=O)O)Cl 1P0070QT [0,1,0,0,0,1|2,0,0]=4 3039 B11R1.167 Nc1ncc(c(c1)C(=O)O)Br 1P0000TD [0,1,0,0,0,1|2,0,0]=4 3040 B11R1.167 Nc1ncc(c(c1)C(=O)O)F 1P000RHQ [0,1,0,0,0,1|2,0,0]=4 3041 B11R1.167 O=c1ccn(c(c1)C(=O)O)C 1P01DV28 [0,1,0,0,0,1|2,0,0]=4 3042 B11R1.167 OC(=O)c1cc(=O)[nH]nc1Cl 1P01IKFP [0,1,0,0,0,1|2,0,0]=4 3043 B11R1.167 Oc1ccc(c(c1)C(=O)O)Br 1P00ED7I [0,1,0,0,0,1|2,0,0]=4 3044 B11R1.167 Oc1ccc(c(c1)C(=O)O)C 1P003935 [0,1,0,0,0,1|2,0,0]=4 3045 B11R1.167 Oc1ccc(c(c1)C(=O)O)Cl 1P003HFL [0,1,0,0,0,1|2,0,0]=4 3046 B11R1.167 Oc1ccc(c(c1)C(=O)O)F 1P003HQU [0,1,0,0,0,1|2,0,0]=4 3047 B11R1.167 Oc1ccc(c(c1)C(=O)O)I 1P00EJ2U [0,1,0,0,0,1|2,0,0]=4 3048 B11R1.167 Oc1ccc(c(c1)C(=O)O)N 1P0034QY [0,1,0,0,0,1|2,0,0]=4 3049 B11R1.167 Oc1ccc(c(c1)C(=O)O)O 1P003R7I [0,1,0,0,0,1|2,0,0]=4 3050 B11R1.167 Oc1ccc(c(c1)C(=O)O)O 1P006K3G [0,1,0,0,0,1|2,0,0]=4 3051 B11R1.167 Oc1cnc(c(c1)C(=O)O)Cl 1P00CM2Q [0,1,0,0,0,1|2,0,0]=4 3052 B11R1.167 Oc1cnc(c(c1)C(=O)O)N 1P01B303 [0,1,0,0,0,1|2,0,0]=4 3053 B11R1.167 Oc1cnc(c(c1)C(=O)O)N 1P01B4FE [0,1,0,0,0,1|2,0,0]=4 3054 B11R1.167 Oc1ncc(c(c1)C(=O)O)Br 1P006NPA [0,1,0,0,0,1|2,0,0]=4 3055 B11R1.167 Oc1ncc(c(c1)C(=O)O)C 1P019T98 [0,1,0,0,0,1|2,0,0]=4 3056 B11R1.167 Oc1ncc(c(c1)C(=O)O)F 1P0290RV [0,1,0,0,0,1|2,0,0]=4 3057 B11R1.167 Sc1ccc(c(c1)C(=O)O)Br 1P01A60P [0,1,0,0,0,1|2,0,0]=4 3058 B11R1.167 [O-][n+]1ccc(cc1C(=O)O)Cl 1P01HW5G [0,1,0,0,0,1|2,0,0]=4 3059 B11R1.266 BrCc1cccc(c1)C(=O)C 1P00ID39 [0,1,0,0,0,1|2,0,0]=4 3060 B11R1.266 BrCc1cccc(c1)C(=O)N 1P00DBVK [0,1,0,0,0,1|2,0,0]=4 3061 B11R1.266 BrCc1cccc(c1)C(=O)O 1P00ED4H [0,1,0,0,0,1|1,0,0]=3 3062 B11R1.266 C#Cc1cccc(c1)C(=O)O 1P008S5E [0,1,0,0,0,1|1,0,1]=4 3063 B11R1.266 C#Cc1ccnc(c1)C(=O)O 1P01XFEG [0,1,0,0,0,1|1,0,1]=4 3064 B11R1.266 C#Cc1cncc(c1)C(=O)O 1P009JX9 [0,1,0,0,0,1|1,0,1]=4 3065 B11R1.266 C=Cc1cccc(c1)C(=O)O 1P007L22 [0,1,0,0,0,1|1,0,1]=4 3066 B11R1.266 CCc1cccc(c1)C(=O)C 1P006XDU [0,1,0,0,0,1|2,0,0]=4 3067 B11R1.266 CCc1cccc(c1)C(=O)O 1P00EAUJ [0,1,0,0,0,1|1,0,0]=3 3068 B11R1.266 CCc1cccc(n1)C(=O)O 1P003ATA [0,1,0,0,0,1|2,0,0]=4 3069 B11R1.266 CCc1ccnc(c1)C(=O)O 1P008MNE [0,1,0,0,0,1|1,0,0]=3 3070 B11R1.266 CCc1ccnc(c1)C(=O)O 1P00CHPB [0,1,0,0,0,1|1,0,0]=3 3071 B11R1.266 CCc1cncc(c1)C(=O)O 1P00CJQE [0,1,0,0,0,1|1,0,0]=3 3072 B11R1.266 CCc1cncc(c1)C(=O)O 1P027V7G [0,1,0,0,0,1|1,0,0]=3 3073 B11R1.266 CCc1nccc(c1)C(=O)O 1P0287BP [0,1,0,0,0,1|1,0,0]=3 3074 B11R1.266 CNc1cccc(c1)C(=O)N 1P028GEU [0,1,0,0,0,1|2,0,0]=4 3075 B11R1.266 CNc1cccc(c1)C(=O)O 1P000JBB [0,1,0,0,0,1|1,0,0]=3 3076 B11R1.266 CNc1cccc(c1)C(=O)O 1P003IPC [0,1,0,0,0,1|1,0,0]=3 3077 B11R1.266 CNc1cccc(n1)C(=O)O 1P000NK8 [0,1,0,0,0,1|2,0,0]=4 3078 B11R1.266 CNc1ccnc(c1)C(=O)N 1P01A6TW [0,1,0,0,0,1|2,0,0]=4 3079 B11R1.266 CNc1ccnc(c1)C(=O)O 1P00H496 [0,1,0,0,0,1|1,0,0]=3 3080 B11R1.266 CNc1cncc(c1)C(=O)O 1P0034MI [0,1,0,0,0,1|1,0,0]=3 3081 B11R1.266 CNc1nccc(c1)C(=O)O 1P004HMQ [0,1,0,0,0,1|1,0,0]=3 3082 B11R1.266 CO[n+]1cccc(c1)C(=O)O 1P01EWV7 [0,1,0,0,0,1|2,0,0]=4 3083 B11R1.266 COc1cccc(c1)C(=O)C 1P003K3S [0,1,0,0,0,1|2,0,0]=4 3084 B11R1.266 COc1cccc(c1)C(=O)Cl 1P003K40 [0,1,0,0,0,1|2,0,0]=4 3085 B11R1.266 COc1cccc(c1)C(=O)N 1P003K3U [0,1,0,0,0,1|2,0,0]=4 3086 B11R1.266 COc1cccc(c1)C(=O)O 1P003K3Y [0,1,0,0,0,1|1,0,0]=3 3087 B11R1.266 COc1cccc(n1)C(=O)O 1P003NQP [0,1,0,0,0,1|2,0,0]=4 3088 B11R1.266 COc1ccnc(c1)C(=O)C 1P00EDRE [0,1,0,0,0,1|2,0,0]=4 3089 B11R1.266 COc1ccnc(c1)C(=O)O 1P000LL5 [0,1,0,0,0,1|1,0,0]=3 3090 B11R1.266 COc1ccnc(c1)C(=O)O 1P002XQU [0,1,0,0,0,1|1,0,0]=3 3091 B11R1.266 COc1ccnc(n1)C(=O)O 1P0094GR [0,1,0,0,0,1|2,0,0]=4 3092 B11R1.266 COc1cncc(c1)C(=O)C 1P00GSKX [0,1,0,0,0,1|2,0,0]=4 3093 B11R1.266 COc1cncc(c1)C(=O)C 1P028NXH [0,1,0,0,0,1|2,0,0]=4 3094 B11R1.266 COc1cncc(c1)C(=O)Cl 1P021ECF [0,1,0,0,0,1|2,0,0]=4 3095 B11R1.266 COc1cncc(c1)C(=O)N 1P00991O [0,1,0,0,0,1|2,0,0]=4 3096 B11R1.266 COc1cncc(c1)C(=O)O 1P002K2I [0,1,0,0,0,1|1,0,0]=3 3097 B11R1.266 COc1cncc(c1)C(=O)O 1P024ZJH [0,1,0,0,0,1|1,0,0]=3 3098 B11R1.266 COc1cncc(n1)C(=O)O 1P00C2GM [0,1,0,0,0,1|2,0,0]=4 3099 B11R1.266 COc1cnnc(c1)C(=O)O 1P021EJ1 [0,1,0,0,0,1|2,0,0]=4 3100 B11R1.266 COc1nccc(c1)C(=O)C 1P00G4O7 [0,1,0,0,0,1|2,0,0]=4 3101 B11R1.266 COc1nccc(c1)C(=O)O 1P008RMD [0,1,0,0,0,1|1,0,0]=3 3102 B11R1.266 COc1nccc(n1)C(=O)O 1P00ID4W [0,1,0,0,0,1|2,0,0]=4 3103 B11R1.266 COc1ncnc(c1)C(=O)O 1P00CKMP [0,1,0,0,0,1|1,0,0]=3 3104 B11R1.266 COc1nncc(c1)C(=O)O 1P00HX1B [0,1,0,0,0,1|1,0,0]=3 3105 B11R1.266 CSc1cccc(c1)C(=O)C 1P001JER [0,1,0,0,0,1|2,0,0]=4 3106 B11R1.266 CSc1cccc(c1)C(=O)O 1P003IPV [0,1,0,0,0,1|1,0,0]=3 3107 B11R1.266 CSc1cccc(n1)C(=O)O 1P005Y4P [0,1,0,0,0,1|2,0,0]=4 3108 B11R1.266 CSc1ccnc(n1)C(=O)O 1P01ANXJ [0,1,0,0,0,1|2,0,0]=4 3109 B11R1.266 CSc1cncc(c1)C(=O)O 1P01DNZC [0,1,0,0,0,1|1,0,0]=3 3110 B11R1.266 CSc1cncc(n1)C(=O)O 1P01BS5R [0,1,0,0,0,1|2,0,0]=4 3111 B11R1.266 CSc1nccc(c1)C(=O)O 1P019XD5 [0,1,0,0,0,1|1,0,0]=3 3112 B11R1.266 CSc1nccc(n1)C(=O)O 1P0039FI [0,1,0,0,0,1|2,0,0]=4 3113 B11R1.266 ClCc1cccc(c1)C(=O)C 1P00C08T [0,1,0,0,0,1|2,0,0]=4 3114 B11R1.266 ClCc1cccc(c1)C(=O)Cl 1P003BQX [0,1,0,0,0,1|2,0,0]=4 3115 B11R1.266 ClCc1cccc(c1)C(=O)N 1P007LPV [0,1,0,0,0,1|2,0,0]=4 3116 B11R1.266 ClCc1cccc(c1)C(=O)O 1P003IO0 [0,1,0,0,0,1|1,0,0]=3 3117 B11R1.266 FCc1cccc(c1)C(=O)O 1P0087MQ [0,1,0,0,0,1|1,0,0]=3 3118 B11R1.266 N#Cc1cccc(c1)C(=O)O 1P003JST [0,1,0,0,0,1|1,0,1]=4 3119 B11R1.266 N#Cc1ccnc(c1)C(=O)O 1P00EJND [0,1,0,0,0,1|1,0,1]=4 3120 B11R1.266 N#Cc1ccnc(c1)C(=O)O 1P022G8T [0,1,0,0,0,1|1,0,1]=4 3121 B11R1.266 N#Cc1cncc(c1)C(=O)O 1P003N65 [0,1,0,0,0,1|1,0,1]=4 3122 B11R1.266 N#Cc1nccc(c1)C(=O)O 1P001SR9 [0,1,0,0,0,1|1,0,1]=4 3123 B11R1.266 NCC=1C=NC=C(C(=O)N)C1 1P01FWS0 [0,1,0,0,0,1|2,0,0]=4 3124 B11R1.266 NCc1cccc(c1)C(=O)C 1P01BFFX [0,1,0,0,0,1|2,0,0]=4 3125 B11R1.266 NCc1cccc(c1)C(=O)N 1P000877 [0,1,0,0,0,1|2,0,0]=4 3126 B11R1.266 NCc1cccc(c1)C(=O)N 1P019E58 [0,1,0,0,0,1|2,0,0]=4 3127 B11R1.266 NCc1cccc(c1)C(=O)O 1P003A60 [0,1,0,0,0,1|1,0,0]=3 3128 B11R1.266 NCc1cccc(c1)C(=O)O 1P007OWA [0,1,0,0,0,1|1,0,0]=3 3129 B11R1.266 NCc1cccc(n1)C(=O)O 1P01JV5Y [0,1,0,0,0,1|2,0,0]=4 3130 B11R1.266 NCc1ccnc(c1)C(=O)N 1P01BDSJ [0,1,0,0,0,1|2,0,0]=4 3131 B11R1.266 NCc1ccnc(c1)C(=O)N 1P028GYK [0,1,0,0,0,1|2,0,0]=4 3132 B11R1.266 NCc1ccnc(c1)C(=O)O 1P028FRO [0,1,0,0,0,1|1,0,0]=3 3133 B11R1.266 NCc1cncc(c1)C(=O)O 1P028EF4 [0,1,0,0,0,1|1,0,0]=3 3134 B11R1.266 NCc1nccc(c1)C(=O)O 1P00VVGZ [0,1,0,0,0,1|1,0,0]=3 3135 B11R1.266 NCc1nccc(c1)C(=O)O 1P01BGXC [0,1,0,0,0,1|1,0,0]=3 3136 B11R1.266 NNc1cccc(c1)C(=O)O 1P00346J [0,1,0,0,0,1|2,0,0]=4 3137 B11R1.266 NNc1cccc(c1)C(=O)O 1P003JZO [0,1,0,0,0,1|2,0,0]=4 3138 B11R1.266 O=Cc1cccc(c1)C(=O)O 1P00343W [0,1,0,0,0,1|1,0,1]=4 3139 B11R1.266 O=Cc1ccnc(c1)C(=O)O 1P0287M9 [0,1,0,0,0,1|1,0,1]=4 3140 B11R1.266 O=Cc1cncc(c1)C(=O)O 1P003XKW [0,1,0,0,0,1|1,0,1]=4 3141 B11R1.266 O=Cc1cncc(c1)C(=O)O 1P01FLF0 [0,1,0,0,0,1|1,0,1]=4 3142 B11R1.266 O=Cc1nccc(c1)C(=O)O 1P008HWF [0,1,0,0,0,1|1,0,1]=4 3143 B11R1.266 OCc1cccc(c1)C(=O)C 1P000OER [0,1,0,0,0,1|2,0,0]=4 3144 B11R1.266 OCc1cccc(c1)C(=O)N 1P000TYC [0,1,0,0,0,1|2,0,0]=4 3145 B11R1.266 OCc1cccc(c1)C(=O)O 1P00BCQY [0,1,0,0,0,1|1,0,0]=3 3146 B11R1.266 OCc1cccc(n1)C(=O)O 1P000PXR [0,1,0,0,0,1|2,0,0]=4 3147 B11R1.266 OCc1cccc(n1)C(=O)O 1P01EKMK [0,1,0,0,0,1|2,0,0]=4 3148 B11R1.266 OCc1ccnc(c1)C(=O)O 1P00H29K [0,1,0,0,0,1|1,0,0]=3 3149 B11R1.266 OCc1ccnc(c1)C(=O)O 1P024WPI [0,1,0,0,0,1|1,0,0]=3 3150 B11R1.266 OCc1cncc(c1)C(=O)O 1P0285TB [0,1,0,0,0,1|1,0,0]=3 3151 B11R1.266 OCc1nccc(c1)C(=O)C 1P024HDF [0,1,0,0,0,1|2,0,0]=4 3152 B11R1.266 OCc1nccc(c1)C(=O)O 1P0033TL [0,1,0,0,0,1|1,0,0]=3 3153 B11R1.266 SCc1cccc(c1)C(=O)O 1P00BXNU [0,1,0,0,0,1|1,0,0]=3 3154 B11R1.15 CCOC(=O)c1[nH]cc(c1)C 1P003QS1 [0,2,0,0,0,0|2,0,0]=4 3155 B11R1.15 CCOC(=O)c1[nH]nc(c1)C 1P00JMN0 [0,2,0,0,0,0|2,0,0]=4 3156 B11R1.15 CCOC(=O)c1c[nH]c(c1)C 1P006YAU [0,2,0,0,0,0|1,0,0]=3 3157 B11R1.15 CCOC(=O)c1c[nH]c(c1)Cl 1P01JWKK [0,2,0,0,0,0|2,0,0]=4 3158 B11R1.15 CCOC(=O)c1c[nH]c(n1)C 1P004LIO [0,2,0,0,0,0|2,0,0]=4 3159 B11R1.15 CCOC(=O)c1ccc([nH]1)C 1P0034RD [0,2,0,0,0,0|2,0,0]=4 3160 B11R1.15 CCOC(=O)c1ccc(o1)C 1P001CFM [0,2,0,0,0,0|2,0,0]=4 3161 B11R1.15 CCOC(=O)c1ccc(s1)C 1P00F09P [0,2,0,0,0,0|2,0,0]=4 3162 B11R1.15 CCOC(=O)c1cnc(s1)C 1P005H7L [0,2,0,0,0,0|2,0,0]=4 3163 B11R1.15 CCOC(=O)c1cnn(c1)C 1P003QHJ [0,2,0,0,0,0|2,0,0]=4 3164 B11R1.15 CCOC(=O)c1coc(c1)C 1P002TYD [0,2,0,0,0,0|0,1,0]=3 3165 B11R1.15 CCOC(=O)c1coc(n1)C 1P0006QN [0,2,0,0,0,0|1,1,0]=4 3166 B11R1.15 CCOC(=O)c1csc(=S)[nH]1 1P00E7X4 [0,2,0,0,0,0|2,0,0]=4 3167 B11R1.15 CCOC(=O)c1csc(c1)Br 1P007UUF [0,2,0,0,0,0|1,0,0]=3 3168 B11R1.15 CCOC(=O)c1csc(c1)Cl 1P01DMUB [0,2,0,0,0,0|1,0,0]=3 3169 B11R1.15 CCOC(=O)c1csc(c1)I 1P01BSGV [0,2,0,0,0,0|1,0,0]=3 3170 B11R1.15 CCOC(=O)c1csc(n1)Br 1P000277 [0,2,0,0,0,0|2,0,0]=4 3171 B11R1.15 CCOC(=O)c1csc(n1)C 1P003QLL [0,2,0,0,0,0|1,0,0]=3 3172 B11R1.15 CCOC(=O)c1csc(n1)Cl 1P0038D6 [0,2,0,0,0,0|2,0,0]=4 3173 B11R1.15 CCOC(=O)c1csc(n1)F 1P007YRI [0,2,0,0,0,0|2,0,0]=4 3174 B11R1.15 CCOC(=O)c1csc(n1)I 1P00G9TI [0,2,0,0,0,0|2,0,0]=4 3175 B11R1.15 CCOC(=O)c1csc(n1)N 1P0039R2 [0,2,0,0,0,0|2,0,0]=4 3176 B11R1.15 CCOC(=O)c1csc(n1)N 1P003QJW [0,2,0,0,0,0|2,0,0]=4 3177 B11R1.15 CCOC(=O)c1csc(n1)N 1P01A76Y [0,2,0,0,0,0|2,0,0]=4 3178 B11R1.15 CCOC(=O)c1csc(n1)O 1P01A56G [0,2,0,0,0,0|2,0,0]=4 3179 B11R1.15 CCOC(=O)c1n[nH]c(c1)C 1P0035BM [0,2,0,0,0,0|2,0,0]=4 3180 B11R1.15 CCOC(=O)c1noc(c1)C 1P0035CE [0,2,0,0,0,0|1,1,0]=4 3181 B11R1.15 CCOC(=O)c1onc(c1)C 1P00IBNX [0,2,0,0,0,0|2,0,0]=4 3182 B11R1.15 CCOC(=O)c1scc(c1)C 1P009Z38 [0,2,0,0,0,0|2,0,0]=4 3183 B11R1.15 CON=C(c1csc(n1)C)C 1P01ANG6 [0,2,0,0,0,0|2,0,0]=4 3184 B11R1.44 CNC(=O)c1csc(n1)CN 1P027W8M [0,2,0,0,0,0|2,0,0]=4 3185 B11R1.44 COC(=O)c1[nH]nc(c1)CC 1P004VPW [0,2,0,0,0,0|2,0,0]=4 3186 B11R1.44 COC(=O)c1[nH]nc(c1)SC 1P02829U [0,2,0,0,0,0|2,0,0]=4 3187 B11R1.44 COC(=O)c1c[nH]c(c1)C#N 1P006QWV [0,2,0,0,0,0|1,0,1]=4 3188 B11R1.44 COC(=O)c1cc(c[nH]1)CO 1P006BOM [0,2,0,0,0,0|2,0,0]=4 3189 B11R1.44 COC(=O)c1cc(cs1)CBr 1P00DJI9 [0,2,0,0,0,0|2,0,0]=4 3190 B11R1.44 COC(=O)c1cc(cs1)CCl 1P00CKI5 [0,2,0,0,0,0|2,0,0]=4 3191 B11R1.44 COC(=O)c1cc(cs1)CN 1P00IH9G [0,2,0,0,0,0|2,0,0]=4 3192 B11R1.44 COC(=O)c1cc(cs1)CO 1P005K0V [0,2,0,0,0,0|2,0,0]=4 3193 B11R1.44 COC(=O)c1cc(ns1)CBr 1P027WVT [0,2,0,0,0,0|2,0,0]=4 3194 B11R1.44 COC(=O)c1cc(on1)CBr 1P019XVC [0,2,0,0,0,0|1,1,0]=4 3195 B11R1.44 COC(=O)c1cc(on1)CN 1P028PQ6 [0,2,0,0,0,0|1,1,0]=4 3196 B11R1.44 COC(=O)c1cc(on1)CO 1P00AIXY [0,2,0,0,0,0|1,1,0]=4 3197 B11R1.44 COC(=O)c1cc(on1)CS 1P01FKU1 [0,2,0,0,0,0|1,1,0]=4 3198 B11R1.44 COC(=O)c1ccc([nH]1)CN 1P002T95 [0,2,0,0,0,0|2,0,0]=4 3199 B11R1.44 COC(=O)c1ccc([nH]1)CO 1P00A1ME [0,2,0,0,0,0|2,0,0]=4 3200 B11R1.44 COC(=O)c1ccc(o1)CCl 1P003SDC [0,2,0,0,0,0|2,0,0]=4 3201 B11R1.44 COC(=O)c1ccc(o1)CN 1P00HZ37 [0,2,0,0,0,0|2,0,0]=4 3202 B11R1.44 COC(=O)c1ccc(o1)CO 1P00C0XC [0,2,0,0,0,0|2,0,0]=4 3203 B11R1.44 COC(=O)c1ccc(o1)CS 1P01DX74 [0,2,0,0,0,0|2,0,0]=4 3204 B11R1.44 COC(=O)c1ccc(s1)CBr 1P00952M [0,2,0,0,0,0|2,0,0]=4 3205 B11R1.44 COC(=O)c1ccc(s1)CCl 1P01SLVE [0,2,0,0,0,0|2,0,0]=4 3206 B11R1.44 COC(=O)c1ccc(s1)CN 1P008PDH [0,2,0,0,0,0|2,0,0]=4 3207 B11R1.44 COC(=O)c1ccc(s1)CN 1P01C43I [0,2,0,0,0,0|2,0,0]=4 3208 B11R1.44 COC(=O)c1ccc(s1)CO 1P028WHT [0,2,0,0,0,0|2,0,0]=4 3209 B11R1.44 COC(=O)c1cnc(s1)CCl 1P01XDLB [0,2,0,0,0,0|2,0,0]=4 3210 B11R1.44 COC(=O)c1cnc(s1)CN 1P01BJF2 [0,2,0,0,0,0|2,0,0]=4 3211 B11R1.44 COC(=O)c1cnc(s1)CN 1P01BJFQ [0,2,0,0,0,0|2,0,0]=4 3212 B11R1.44 COC(=O)c1cnc(s1)NC 1P01A068 [0,2,0,0,0,0|2,0,0]=4 3213 B11R1.44 COC(=O)c1cnn(c1)CO 1P01AOTQ [0,2,0,0,0,0|2,0,0]=4 3214 B11R1.44 COC(=O)c1coc(c1)C=O 1P009SL0 [0,2,0,0,0,0|0,1,1]=4 3215 B11R1.44 COC(=O)c1coc(c1)CCl 1P01A8Z6 [0,2,0,0,0,0|0,1,0]=3 3216 B11R1.44 COC(=O)c1coc(c1)CN 1P01BSAE [0,2,0,0,0,0|0,1,0]=3 3217 B11R1.44 COC(=O)c1coc(c1)CO 1P01AD47 [0,2,0,0,0,0|0,1,0]=3 3218 B11R1.44 COC(=O)c1coc(n1)CCl 1P002K69 [0,2,0,0,0,0|1,1,0]=4 3219 B11R1.44 COC(=O)c1coc(n1)CN 1P01C4E8 [0,2,0,0,0,0|1,1,0]=4 3220 B11R1.44 COC(=O)c1csc(c1)C#C 1P028UI6 [0,2,0,0,0,0|0,0,1]=3 3221 B11R1.44 COC(=O)c1csc(c1)C=O 1P00IC7Z [0,2,0,0,0,0|0,0,1]=3 3222 B11R1.44 COC(=O)c1csc(c1)CCl 1P01BS4E [0,2,0,0,0,0|0,0,0]=2 3223 B11R1.44 COC(=O)c1csc(c1)CN 1P028W87 [0,2,0,0,0,0|0,0,0]=2 3224 B11R1.44 COC(=O)c1csc(n1)C=O 1P00IHI6 [0,2,0,0,0,0|1,0,1]=4 3225 B11R1.44 COC(=O)c1csc(n1)CCl 1P007HU3 [0,2,0,0,0,0|1,0,0]=3 3226 B11R1.44 COC(=O)c1csc(n1)CN 1P0285WN [0,2,0,0,0,0|1,0,0]=3 3227 B11R1.44 COC(=O)c1noc(c1)CC 1P028KYA [0,2,0,0,0,0|1,1,0]=4 3228 B11R1.44 COc1ccc(s1)C(=O)OC 1P008ODC [0,2,0,0,0,0|2,0,0]=4 3229 B11R1.44 COc1csc(c1)C(=O)OC 1P019TIJ [0,2,0,0,0,0|2,0,0]=4 3230 B11R1.44 COc1noc(c1)C(=O)OC 1P001YRF [0,2,0,0,0,0|2,0,0]=4 3231 B11R1.44 NCc1[nH]cc(n1)C(=O)OC 1P028RF0 [0,2,0,0,0,0|2,0,0]=4 3232 B11R1.44 NCc1scc(n1)C(=O)OC 1P00HGZD [0,2,0,0,0,0|1,0,0]=3 3233 B11R1.44 NNC(=O)c1csc(c1)CC 1P0073DF [0,2,0,0,0,0|1,0,0]=3 3234 B11R1.44 OCC(=O)c1ccc(s1)CC 1P01EMVT [0,2,0,0,0,0|2,0,0]=4 3235 B11R1.225 CCC(=O)c1cc(sc1C)C 1P00C686 [0,2,0,0,0,0|1,0,0]=3 3236 B11R1.225 COC(=O)c1[nH]c(cc1C)C 1P00GEU4 [0,2,0,0,0,0|2,0,0]=4 3237 B11R1.225 COC(=O)c1[nH]c(cc1N)C 1P000OD3 [0,2,0,0,0,0|2,0,0]=4 3238 B11R1.225 COC(=O)c1cc([nH]c1C)C 1P003S2L [0,2,0,0,0,0|1,0,0]=3 3239 B11R1.225 COC(=O)c1cc(nn1C)C 1P000824 [0,2,0,0,0,0|2,0,0]=4 3240 B11R1.225 COC(=O)c1cc(oc1Br)C 1P0292D3 [0,2,0,0,0,0|0,1,0]=3 3241 B11R1.225 COC(=O)c1cc(oc1C)C 1P00EJSK [0,2,0,0,0,0|0,1,0]=3 3242 B11R1.225 COC(=O)c1cc(sc1Br)Br 1P01DLOI [0,2,0,0,0,0|1,0,0]=3 3243 B11R1.225 COC(=O)c1cc(sc1Br)C 1P00IINP [0,2,0,0,0,0|0,0,0]=2 3244 B11R1.225 COC(=O)c1cc(sc1Cl)Br 1P000MCX [0,2,0,0,0,0|1,0,0]=3 3245 B11R1.225 COC(=O)c1cc(sc1N)C 1P0075FM [0,2,0,0,0,0|0,0,0]=2 3246 B11R1.225 COC(=O)c1cc(sc1N)Cl 1P00E62S [0,2,0,0,0,0|1,0,0]=3 3247 B11R1.225 COC(=O)c1cn(cc1C)C 1P01EJ20 [0,2,0,0,0,0|2,0,0]=4 3248 B11R1.225 COC(=O)c1cn(nc1C)C 1P00GAFZ [0,2,0,0,0,0|2,0,0]=4 3249 B11R1.225 COC(=O)c1cn(nc1N)C 1P00F7D3 [0,2,0,0,0,0|2,0,0]=4 3250 B11R1.225 COC(=O)c1nc(sc1Br)Br 1P00H1EH [0,2,0,0,0,0|2,0,0]=4 3251 B11R1.225 COC(=O)c1nc(sc1Br)C 1P00GVDY [0,2,0,0,0,0|1,0,0]=3 3252 B11R1.225 COC(=O)c1nc(sc1Br)Cl 1P0026I0 [0,2,0,0,0,0|2,0,0]=4 3253 B11R1.225 COC(=O)c1nc(sc1Br)N 1P003S3L [0,2,0,0,0,0|2,0,0]=4 3254 B11R1.225 COC(=O)c1nc(sc1Cl)Br 1P008UEF [0,2,0,0,0,0|2,0,0]=4 3255 B11R1.225 COC(=O)c1nc(sc1Cl)N 1P00GV2N [0,2,0,0,0,0|2,0,0]=4 3256 B11R1.225 COC(=O)c1nc(sc1N)Br 1P009KMJ [0,2,0,0,0,0|2,0,0]=4 3257 B11R1.225 COC(=O)c1nc(sc1N)C 1P01CATH [0,2,0,0,0,0|1,0,0]=3 3258 B11R1.225 COC(=O)c1oc(cc1C)C 1P01BHZV [0,2,0,0,0,0|2,0,0]=4 3259 B11R1.225 COC(=O)c1sc(cc1Br)C 1P000P3M [0,2,0,0,0,0|2,0,0]=4 3260 B11R1.225 COC(=O)c1sc(cc1N)C 1P00G3CN [0,2,0,0,0,0|2,0,0]=4 3261 B11R1.225 COC(=O)c1sc(cc1O)C 1P00DK33 [0,2,0,0,0,0|2,0,0]=4 3262 B11R1.225 COC(=O)c1sc(nc1C)C 1P00ANZV [0,2,0,0,0,0|2,0,0]=4 3263 B11R1.225 COC(=O)c1sc(nc1Cl)C 1P01A467 [0,2,0,0,0,0|2,0,0]=4 3264 B11R1.225 Cc1c(cc([nH]1)C)C(=O)CCl 1P007RMX [0,2,0,0,0,0|2,0,0]=4 3265 B11R1.225 Cc1c(cc([nH]1)C)C(=O)CN 1P028B2X [0,2,0,0,0,0|2,0,0]=4 3266 B11R1.225 Cc1oc(cc1C(=O)NN)C 1P001RY6 [0,2,0,0,0,0|1,1,0]=4 3267 B11R1.225 Cc1oc(cc1C(=O)NN)C 1P00J1BJ [0,2,0,0,0,0|1,1,0]=4 3268 B11R1.225 Cc1oc(cc1C(=O)OC)Br 1P00D5KN [0,2,0,0,0,0|1,1,0]=4 3269 B11R1.225 Cc1sc(cc1C(=O)CBr)C 1P00181H [0,2,0,0,0,0|1,0,0]=3 3270 B11R1.225 Cc1sc(cc1C(=O)CCl)C 1P007J4L [0,2,0,0,0,0|1,0,0]=3 3271 B11R1.225 Cc1sc(cc1C(=O)OC)Br 1P000R11 [0,2,0,0,0,0|1,0,0]=3 3272 B11R1.225 Cc1sc(cc1C(=O)OC)N 1P027X7F [0,2,0,0,0,0|1,0,0]=3 3273 B11R1.225 Cc1sc(nc1C(=O)OC)Br 1P0035MJ [0,2,0,0,0,0|2,0,0]=4 3274 B11R1.225 Cc1sc(nc1C(=O)OC)Cl 1P009WTV [0,2,0,0,0,0|2,0,0]=4 3275 B11R1.225 Cc1sc(nc1C(=O)OC)N 1P00EAZ2 [0,2,0,0,0,0|2,0,0]=4 3276 B11R1.225 Cc1sc(nc1C(=O)OC)N 1P028GPD [0,2,0,0,0,0|2,0,0]=4 3277 B11R1.225 Cc1sc(nc1C(=O)OC)O 1P028HZ1 [0,2,0,0,0,0|2,0,0]=4 3278 B11R1.225 ClCC(=O)c1cc(sc1Br)Br 1P00FM4C [0,2,0,0,0,0|2,0,0]=4 3279 B11R1.225 ClCC(=O)c1cc(sc1Cl)Cl 1P0012OY [0,2,0,0,0,0|2,0,0]=4 3280 B11R1.225 NCC(=O)c1cc(sc1Br)Br 1P00I299 [0,2,0,0,0,0|2,0,0]=4 3281 B11R1.225 NCC(=O)c1cc(sc1Cl)Cl 1P004K30 [0,2,0,0,0,0|2,0,0]=4 3282 B11R1.225 OCC(=O)c1cc(sc1Cl)Cl 1P028MQQ [0,2,0,0,0,0|1,0,0]=3 3283 B11R1.226 COC(=O)c1cc(c([nH]1)C)Br 1P00J3EO [0,2,0,0,0,0|2,0,0]=4 3284 B11R1.226 COC(=O)c1cc(c(s1)Br)C 1P00DA50 [0,2,0,0,0,0|2,0,0]=4 3285 B11R1.226 COC(=O)c1cc(c(s1)C)Br 1P00BJMF [0,2,0,0,0,0|2,0,0]=4 3286 B11R1.226 COC(=O)c1cc(c(s1)C)I 1P01K2FN [0,2,0,0,0,0|2,0,0]=4 3287 B11R1.226 COC(=O)c1cc(c(s1)C)N 1P00DMC4 [0,2,0,0,0,0|2,0,0]=4 3288 B11R1.226 COC(=O)c1nn(c(c1)C)C 1P000822 [0,2,0,0,0,0|2,0,0]=4 3289 B11R1.865 COC(=O)c1[nH]cc(c1Cl)C 1P00KURO [0,2,0,0,0,0|2,0,0]=4 3290 B11R1.865 COC(=O)c1ccc(n1C)C 1P00FSS9 [0,2,0,0,0,0|2,0,0]=4 3291 B11R1.865 COC(=O)c1ccn(c1C)C 1P00JRFS [0,2,0,0,0,0|2,0,0]=4 3292 B11R1.865 COC(=O)c1cnn(c1Cl)C 1P01ANBG [0,2,0,0,0,0|2,0,0]=4 3293 B11R1.865 COC(=O)c1cnn(c1N)C 1P003SDM [0,2,0,0,0,0|2,0,0]=4 3294 B11R1.865 COC(=O)c1csc(c1Br)Br 1P01DWQ6 [0,2,0,0,0,0|1,0,0]=3 3295 B11R1.865 COC(=O)c1csc(c1F)Br 1P01ELRA [0,2,0,0,0,0|1,0,0]=3 3296 B11R1.865 COC(=O)c1csc(c1N)C 1P00G9ZE [0,2,0,0,0,0|0,0,0]=2 3297 B11R1.865 COC(=O)c1csc(c1N)C 1P01S27Q [0,2,0,0,0,0|0,0,0]=2 3298 B11R1.865 COC(=O)c1csc(c1O)C 1P028BQB [0,2,0,0,0,0|0,0,0]=2 3299 B11R1.865 COC(=O)c1n[nH]c(c1Br)C 1P000KPT [0,2,0,0,0,0|2,0,0]=4 3300 B11R1.865 COC(=O)c1n[nH]c(c1C)C 1P00EYBM [0,2,0,0,0,0|2,0,0]=4 3301 B11R1.865 COC(=O)c1n[nH]c(c1Cl)C 1P00HS8G [0,2,0,0,0,0|2,0,0]=4 3302 B11R1.865 COC(=O)c1n[nH]c(c1N)C 1P00HYYU [0,2,0,0,0,0|2,0,0]=4 3303 B11R1.865 COC(=O)c1noc(c1Br)C 1P00G4YP [0,2,0,0,0,0|1,1,0]=4 3304 B11R1.865 COC(=O)c1nsc(c1N)I 1P028CTB [0,2,0,0,0,0|2,0,0]=4 3305 B11R1.865 COC(=O)c1onc(c1Br)C 1P01K5H3 [0,2,0,0,0,0|2,0,0]=4 3306 B11R1.865 COC(=O)c1onc(c1I)C 1P028JOY [0,2,0,0,0,0|2,0,0]=4 3307 B11R1.865 COC(=O)c1onc(c1N)C 1P00GFWN [0,2,0,0,0,0|2,0,0]=4 3308 B11R1.865 COC(=O)c1scc(c1Br)C 1P00BOBR [0,2,0,0,0,0|2,0,0]=4 3309 B11R1.865 COC(=O)c1scc(c1Cl)C 1P0020RY [0,2,0,0,0,0|2,0,0]=4 3310 B11R1.865 COC(=O)c1scc(c1I)C 1P01B1OF [0,2,0,0,0,0|2,0,0]=4 3311 B11R1.865 COC(=O)c1scc(c1N)C 1P003JCN [0,2,0,0,0,0|2,0,0]=4 3312 B11R1.865 COC(=O)c1scc(c1O)C 1P018JD8 [0,2,0,0,0,0|2,0,0]=4 3313 B11R1.865 Cc1c(csc1Br)C(=O)OC 1P01AD87 [0,2,0,0,0,0|1,0,0]=3 3314 B11R1.865 Cc1c(csc1C)C(=O)NN 1P00E8CT [0,2,0,0,0,0|1,0,0]=3 3315 B11R1.865 Cc1c(csc1Cl)C(=O)OC 1P028J2N [0,2,0,0,0,0|1,0,0]=3 3316 B11R1.865 Cc1c(csc1N)C(=O)OC 1P01A5AS [0,2,0,0,0,0|1,0,0]=3 3317 B11R1.48 CCc1cc(nn1C)C(=O)O 1P001WSG [0,2,0,0,0,0|2,0,0]=4 3318 B11R1.48 CCc1cc(sc1C)C(=O)O 1P00HYQT [0,2,0,0,0,0|2,0,0]=4 3319 B11R1.48 CCc1oc(cc1C)C(=O)O 1P01A0CK [0,2,0,0,0,0|2,0,0]=4 3320 B11R1.48 CCc1sc(cc1Br)C(=O)O 1P00BZME [0,2,0,0,0,0|2,0,0]=4 3321 B11R1.48 CCc1sc(cc1C)C(=O)O 1P00CKHD [0,2,0,0,0,0|2,0,0]=4 3322 B11R1.48 CCn1nc(cc1C)C(=O)O 1P003883 [0,2,0,0,0,0|2,0,0]=4 3323 B11R1.48 COc1cc(nn1C)C(=O)O 1P001B59 [0,2,0,0,0,0|2,0,0]=4 3324 B11R1.48 COc1cc(sc1Br)C(=O)O 1P01A3D2 [0,2,0,0,0,0|2,0,0]=4 3325 B11R1.48 COc1cc(sc1Cl)C(=O)O 1P028T3O [0,2,0,0,0,0|2,0,0]=4 3326 B11R1.48 COc1sc(cc1Br)C(=O)O 1P028PAT [0,2,0,0,0,0|2,0,0]=4 3327 B11R1.48 CSc1cc(nn1C)C(=O)O 1P02937O [0,2,0,0,0,0|2,0,0]=4 3328 B11R1.48 CSc1cc(oc1C)C(=O)O 1P01AIO0 [0,2,0,0,0,0|2,0,0]=4 3329 B11R1.48 CSc1sc(cc1Br)C(=O)O 1P01AJ04 [0,2,0,0,0,0|2,0,0]=4 3330 B11R1.48 N#Cc1[nH]c(cc1C)C(=O)O 1P0284KT [0,2,0,0,0,0|2,0,0]=4 3331 B11R1.48 N#Cc1cc(cn1C)C(=O)O 1P027WG6 [0,2,0,0,0,0|1,0,1]=4 3332 B11R1.48 NCc1cc(sc1C)C(=O)O 1P01FIWA [0,2,0,0,0,0|2,0,0]=4 3333 B11R1.48 NCc1cc(sc1Cl)C(=O)O 1P01FITC [0,2,0,0,0,0|2,0,0]=4 3334 B11R1.48 O=Cc1cc(cn1C)C(=O)O 1P00DYIN [0,2,0,0,0,0|1,0,1]=4 3335 B11R1.48 O=Cc1sc(cc1C)C(=O)O 1P00CL09 [0,2,0,0,0,0|2,0,0]=4 3336 B11R1.48 OCc1cc(nn1C)C(=O)O 1P01BH8M [0,2,0,0,0,0|2,0,0]=4 3337 B11R1.48 OCc1cc(oc1C)C(=O)O 1P01B353 [0,2,0,0,0,0|2,0,0]=4 3338 B11R1.50 CCc1nc(c(o1)C(=O)O)C 1P0038S5 [0,2,0,0,0,0|2,0,0]=4 3339 B11R1.50 CCc1nc(c(s1)C(=O)O)C 1P0082EH [0,2,0,0,0,0|2,0,0]=4 3340 B11R1.50 CCc1nn(c(c1)C(=O)O)C 1P002T4P [0,2,0,0,0,0|2,0,0]=4 3341 B11R1.50 CCc1oc(c(c1)C(=O)O)C 1P00EJCN [0,2,0,0,0,0|0,1,0]=3 3342 B11R1.50 CCc1oc(c(n1)C(=O)O)C 1P009UX8 [0,2,0,0,0,0|1,1,0]=4 3343 B11R1.50 CCc1sc(c(c1)C(=O)O)Br 1P028AFA [0,2,0,0,0,0|0,0,0]=2 3344 B11R1.50 CCc1sc(c(n1)C(=O)N)N 1P0281VQ [0,2,0,0,0,0|2,0,0]=4 3345 B11R1.50 CCc1sc(c(n1)C(=O)O)Br 1P0293L9 [0,2,0,0,0,0|1,0,0]=3 3346 B11R1.50 CCc1sc(c(n1)C(=O)O)N 1P028UC3 [0,2,0,0,0,0|1,0,0]=3 3347 B11R1.50 CCn1nc(c(c1)C(=O)O)C 1P008SSD [0,2,0,0,0,0|2,0,0]=4 3348 B11R1.50 CNc1sc(c(n1)C(=O)N)N 1P00DD78 [0,2,0,0,0,0|2,0,0]=4 3349 B11R1.50 COc1nc(c(s1)C(=O)O)C 1P000TWS [0,2,0,0,0,0|2,0,0]=4 3350 B11R1.50 COc1nn(c(c1)C(=O)O)C 1P000TJQ [0,2,0,0,0,0|2,0,0]=4 3351 B11R1.50 CSc1cc(c(o1)C(=O)O)C 1P01B7QA [0,2,0,0,0,0|2,0,0]=4 3352 B11R1.50 CSc1cc(c(s1)C(=O)O)C 1P028AEG [0,2,0,0,0,0|2,0,0]=4 3353 B11R1.50 CSc1nn(c(c1)C(=O)O)C 1P027W3J [0,2,0,0,0,0|2,0,0]=4 3354 B11R1.50 CSc1oc(c(c1)C(=O)O)C 1P01B6SU [0,2,0,0,0,0|0,1,0]=3 3355 B11R1.50 ClCc1nc(c(o1)C(=O)O)C 1P028UR7 [0,2,0,0,0,0|2,0,0]=4 3356 B11R1.50 N#Cc1cc(c([nH]1)C)C(=O)O 1P01API2 [0,2,0,0,0,0|1,0,1]=4 3357 B11R1.50 N#Cc1oc(c(c1)C(=O)O)C 1P01BHN2 [0,2,0,0,0,0|0,1,1]=4 3358 B11R1.50 NCc1nc(c(o1)C(=O)O)C 1P028TKE [0,2,0,0,0,0|2,0,0]=4 3359 B11R1.50 NCc1nc(c(s1)C(=O)O)C 1P01ABI1 [0,2,0,0,0,0|2,0,0]=4 3360 B11R1.50 NCc1nn(c(c1)C(=O)O)C 1P01QEN9 [0,2,0,0,0,0|2,0,0]=4 3361 B11R1.50 NCc1oc(c(c1)C(=O)O)C 1P01B85R [0,2,0,0,0,0|0,1,0]=3 3362 B11R1.50 NCc1oc(c(n1)C(=O)O)C 1P00VSAP [0,2,0,0,0,0|1,1,0]=4 3363 B11R1.50 NCc1sc(c(n1)C(=O)O)C 1P01ELWI [0,2,0,0,0,0|1,0,0]=3 3364 B11R1.50 O=Cc1cc(c([nH]1)C)C(=O)O 1P00DYJT [0,2,0,0,0,0|1,0,1]=4 3365 B11R1.50 O=Cc1oc(c(c1)C(=O)O)C 1P01ADPE [0,2,0,0,0,0|0,1,1]=4 3366 B11R1.50 O=Cc1sc(c(c1)C(=O)O)Cl 1P01EJ7F [0,2,0,0,0,0|0,0,1]=3 3367 B11R1.50 OCc1cc(c(o1)C(=O)O)C 1P01AEKH [0,2,0,0,0,0|2,0,0]=4 3368 B11R1.50 OCc1nc(c(o1)C(=O)O)C 1P028DHX [0,2,0,0,0,0|2,0,0]=4 3369 B11R1.50 OCc1nc(c(s1)C(=O)O)C 1P028MU7 [0,2,0,0,0,0|2,0,0]=4 3370 B11R1.50 OCc1oc(c(c1)C(=O)O)C 1P00B3X3 [0,2,0,0,0,0|0,1,0]=3 3371 B11R1.124 CCCc1cc([nH]n1)C(=O)O 1P005YDL [0,2,0,0,0,0|2,0,0]=4 3372 B11R1.124 CCCc1cc(cs1)C(=O)O 1P0089PI [0,2,0,0,0,0|0,0,0]=2 3373 B11R1.124 CCCc1cc(no1)C(=O)O 1P0040YX [0,2,0,0,0,0|1,1,0]=4 3374 B11R1.124 CCCc1cc(on1)C(=O)O 1P001F51 [0,2,0,0,0,0|2,0,0]=4 3375 B11R1.124 CCCc1ccc([nH]1)C(=O)O 1P01DVWB [0,2,0,0,0,0|2,0,0]=4 3376 B11R1.124 CCCc1ccc(s1)C(=O)O 1P00EAM2 [0,2,0,0,0,0|2,0,0]=4 3377 B11R1.124 CCCc1nc(co1)C(=O)O 1P00CA1F [0,2,0,0,0,0|1,1,0]=4 3378 B11R1.124 CCCc1nc(cs1)C(=O)O 1P00G53N [0,2,0,0,0,0|1,0,0]=3 3379 B11R1.124 CCCc1ncc(s1)C(=O)O 1P0031IJ [0,2,0,0,0,0|2,0,0]=4 3380 B11R1.124 CCCn1cc(cn1)C(=O)O 1P00JF6O [0,2,0,0,0,0|2,0,0]=4 3381 B11R1.124 CCNc1nc(cs1)C(=O)O 1P018NCA [0,2,0,0,0,0|1,0,0]=3 3382 B11R1.124 CCNc1ncc(s1)C(=O)O 1P019SWT [0,2,0,0,0,0|2,0,0]=4 3383 B11R1.124 CCOc1cc(n[nH]1)C(=O)O 1P01E81I [0,2,0,0,0,0|2,0,0]=4 3384 B11R1.124 CCOc1cc(on1)C(=O)O 1P00AIYO [0,2,0,0,0,0|2,0,0]=4 3385 B11R1.124 CCOc1cc(sn1)C(=O)O 1P027WBO [0,2,0,0,0,0|2,0,0]=4 3386 B11R1.124 CCOc1nc(co1)C(=O)O 1P0065V1 [0,2,0,0,0,0|1,1,0]=4 3387 B11R1.124 CCOc1nc(ns1)C(=O)O 1P0061MS [0,2,0,0,0,0|2,0,0]=4 3388 B11R1.124 CCOc1ncc(s1)C(=O)O 1P028ZUF [0,2,0,0,0,0|2,0,0]=4 3389 B11R1.124 CNCc1ccc(o1)C(=O)O 1P01EM13 [0,2,0,0,0,0|2,0,0]=4 3390 B11R1.124 COCC1=CC=C(N1)C(=O)O 1P01FWV4 [0,2,0,0,0,0|2,0,0]=4 3391 B11R1.124 COCc1c[nH]c(c1)C(=O)O 1P01FLUM [0,2,0,0,0,0|2,0,0]=4 3392 B11R1.124 COCc1cc(cs1)C(=O)O 1P01GNZE [0,2,0,0,0,0|0,0,0]=2 3393 B11R1.124 COCc1cc(no1)C(=O)O 1P019SX6 [0,2,0,0,0,0|1,1,0]=4 3394 B11R1.124 COCc1cc(on1)C(=O)O 1P01DVF1 [0,2,0,0,0,0|2,0,0]=4 3395 B11R1.124 COCc1ccc(o1)C(=O)O 1P002FWR [0,2,0,0,0,0|2,0,0]=4 3396 B11R1.124 COCc1ccc(s1)C(=O)O 1P00ECIN [0,2,0,0,0,0|2,0,0]=4 3397 B11R1.124 COCc1csc(c1)C(=O)O 1P01B6NI [0,2,0,0,0,0|2,0,0]=4 3398 B11R1.124 COCc1nc(c[nH]1)C(=O)O 1P028H3E [0,2,0,0,0,0|2,0,0]=4 3399 B11R1.124 COCc1nc(co1)C(=O)O 1P01AFC3 [0,2,0,0,0,0|1,1,0]=4 3400 B11R1.124 COCc1nc(cs1)C(=O)O 1P007UY8 [0,2,0,0,0,0|1,0,0]=3 3401 B11R1.124 COCc1ncc(s1)C(=O)O 1P01BAV8 [0,2,0,0,0,0|2,0,0]=4 3402 B11R1.124 CSCc1ccc(o1)C(=O)O 1P00GW3O [0,2,0,0,0,0|2,0,0]=4 3403 B11R1.124 NCCc1cc(no1)C(=O)O 1P0281AN [0,2,0,0,0,0|1,1,0]=4 3404 B11R1.124 NCCc1ccc(s1)C(=O)O 1P0289NZ [0,2,0,0,0,0|2,0,0]=4 3405 B11R1.124 NCCc1nc(cs1)C(=O)O 1P00EO0C [0,2,0,0,0,0|1,0,0]=3 3406 B11R1.124 NCCn1ncc(c1)C(=O)O 1P0287Z5 [0,2,0,0,0,0|2,0,0]=4 3407 B11R1.124 OC(=O)c1cn(nc1)CC=C 1P01DTAA [0,2,0,0,0,0|2,0,0]=4 3408 B11R1.124 OC(=O)c1cn(nc1)CCCl 1P00JB5L [0,2,0,0,0,0|2,0,0]=4 3409 B11R1.124 OC(=O)c1cn(nc1)CCF 1P01BBY7 [0,2,0,0,0,0|2,0,0]=4 3410 B11R1.124 OCCc1ccc(s1)C(=O)O 1P002PMN [0,2,0,0,0,0|2,0,0]=4 3411 B11R1.124 OCCc1onc(c1)C(=O)O 1P024HPN [0,2,0,0,0,0|1,1,0]=4 3412 B11R1.124 OCCn1ncc(c1)C(=O)O 1P0094Z6 [0,2,0,0,0,0|2,0,0]=4 3413 B11R1.124 OCCn1ncc(c1)C(=O)O 1P01EKNW [0,2,0,0,0,0|2,0,0]=4 3414 B11R1.175 C(N)(=O)C=1SC=C(N1)C(=O)O 1P01FWHI [0,2,0,0,0,0|1,0,1]=4 3415 B11R1.175 CC(=O)c1c[nH]c(c1)C(=O)O 1P001W9N [0,2,0,0,0,0|2,0,0]=4 3416 B11R1.175 CC(=O)c1ccc([nH]1)C(=O)O 1P00E9Q0 [0,2,0,0,0,0|2,0,0]=4 3417 B11R1.175 CC(=O)c1ccc(o1)C(=O)O 1P01BFMT [0,2,0,0,0,0|2,0,0]=4 3418 B11R1.175 CC(=O)c1ccc(s1)C(=O)O 1P00I8G0 [0,2,0,0,0,0|2,0,0]=4 3419 B11R1.175 CC(=O)c1csc(c1)C(=O)O 1P004GJP [0,2,0,0,0,0|1,0,1]=4 3420 B11R1.175 CC(=O)c1n[nH]c(c1)C(=O)O 1P0067RI [0,2,0,0,0,0|2,0,0]=4 3421 B11R1.175 CC(c1[nH]cc(n1)C(=O)O)C 1P01AI5A [0,2,0,0,0,0|2,0,0]=4 3422 B11R1.175 CC(c1[nH]nc(c1)C(=O)O)C 1P003K2T [0,2,0,0,0,0|2,0,0]=4 3423 B11R1.175 CC(c1ccc([nH]1)C(=O)O)C 1P00IGOY [0,2,0,0,0,0|2,0,0]=4 3424 B11R1.175 CC(c1ccc(s1)C(=O)O)C 1P002YYU [0,2,0,0,0,0|2,0,0]=4 3425 B11R1.175 CC(c1n[nH]c(c1)C(=O)O)C 1P0041TP [0,2,0,0,0,0|2,0,0]=4 3426 B11R1.175 CC(c1ncc(o1)C(=O)O)C 1P021TWL [0,2,0,0,0,0|2,0,0]=4 3427 B11R1.175 CC(c1ncc(s1)C(=O)O)C 1P00IBIW [0,2,0,0,0,0|2,0,0]=4 3428 B11R1.175 CC(c1ncc(s1)C(=O)O)N 1P00HV64 [0,2,0,0,0,0|2,0,0]=4 3429 B11R1.175 CC(c1ncc(s1)C(=O)O)N 1P00J3CV [0,2,0,0,0,0|2,0,0]=4 3430 B11R1.175 CC(c1ncc(s1)C(=O)O)O 1P01B86I [0,2,0,0,0,0|2,0,0]=4 3431 B11R1.175 CC(c1noc(c1)C(=O)O)C 1P001EDV [0,2,0,0,0,0|2,0,0]=4 3432 B11R1.175 CC(c1occ(n1)C(=O)O)C 1P00HYKO [0,2,0,0,0,0|1,1,0]=4 3433 B11R1.175 CC(c1onc(c1)C(=O)O)C 1P0040YY [0,2,0,0,0,0|1,1,0]=4 3434 B11R1.175 CC(c1scc(c1)C(=O)O)C 1P000L0M [0,2,0,0,0,0|0,0,0]=2 3435 B11R1.175 CC(c1scc(n1)C(=O)C)C 1P01AD5C [0,2,0,0,0,0|2,0,0]=4 3436 B11R1.175 CC(c1scc(n1)C(=O)O)C 1P002NPS [0,2,0,0,0,0|1,0,0]=3 3437 B11R1.175 CC(c1scc(n1)C(=O)O)N 1P01B363 [0,2,0,0,0,0|1,0,0]=3 3438 B11R1.175 CC(c1snc(c1)C(=O)O)C 1P028D4C [0,2,0,0,0,0|1,0,0]=3 3439 B11R1.175 CC(n1ncc(c1)C(=O)O)C 1P00D8TY [0,2,0,0,0,0|2,0,0]=4 3440 B11R1.175 CN(c1ncc(o1)C(=O)O)C 1P00HV5Q [0,2,0,0,0,0|2,0,0]=4 3441 B11R1.175 CN(c1ncc(s1)C(=O)O)C 1P0288JU [0,2,0,0,0,0|2,0,0]=4 3442 B11R1.175 CN(c1occ(n1)C(=O)O)C 1P0292DS [0,2,0,0,0,0|1,1,0]=4 3443 B11R1.175 CN(c1scc(n1)C(=O)N)C 1P01BSEL [0,2,0,0,0,0|2,0,0]=4 3444 B11R1.175 C[C@@H](c1occ(n1)C(=O)O)N 1P028R3H [0,2,0,0,0,0|1,1,0]=4 3445 B11R1.175 FC(c1[nH]nc(c1)C(=O)O)F 1P00FSGU [0,2,0,0,0,0|2,0,0]=4 3446 B11R1.175 FC(c1ccc(o1)C(=O)O)F 1P01BW9R [0,2,0,0,0,0|2,0,0]=4 3447 B11R1.175 FC(c1ccc(s1)C(=O)O)F 1P00ARLT [0,2,0,0,0,0|2,0,0]=4 3448 B11R1.175 FC(c1csc(c1)C(=O)O)F 1P028QF0 [0,2,0,0,0,0|2,0,0]=4 3449 B11R1.175 FC(c1ncc(o1)C(=O)O)F 1P02822P [0,2,0,0,0,0|2,0,0]=4 3450 B11R1.175 FC(c1ncc(s1)C(=O)O)F 1P0223JG [0,2,0,0,0,0|2,0,0]=4 3451 B11R1.175 FC(c1noc(c1)C(=O)O)F 1P01AFY9 [0,2,0,0,0,0|2,0,0]=4 3452 B11R1.175 FC(c1occ(c1)C(=O)O)F 1P01BXVP [0,2,0,0,0,0|0,1,0]=3 3453 B11R1.175 FC(c1occ(n1)C(=O)O)F 1P01DW8W [0,2,0,0,0,0|1,1,0]=4 3454 B11R1.175 FC(c1onc(c1)C(=O)O)F 1P01B6XG [0,2,0,0,0,0|1,1,0]=4 3455 B11R1.175 FC(c1scc(c1)C(=O)O)F 1P025GHT [0,2,0,0,0,0|0,0,0]=2 3456 B11R1.175 FC(c1scc(n1)C(=O)O)F 1P028P7H [0,2,0,0,0,0|1,0,0]=3 3457 B11R1.175 FC(n1ncc(c1)C(=O)O)F 1P019D84 [0,2,0,0,0,0|2,0,0]=4 3458 B11R1.175 NC(=O)c1csc(c1)C(=O)O 1P019XH9 [0,2,0,0,0,0|1,0,1]=4 3459 B11R1.175 OB(c1csc(c1)C(=O)C)O 1P00IIG6 [0,2,0,0,0,0|1,0,1]=4 3460 B11R1.175 OC(=O)c1c[nH]c(c1)C(=O)N 1P019V23 [0,2,0,0,0,0|1,0,1]=4 3461 B11R1.175 OC(=O)c1cnc(s1)C(=O)C 1P008TTL [0,2,0,0,0,0|2,0,0]=4 3462 B11R1.175 OC(=O)c1coc(c1)C(=O)C 1P01AG4G [0,2,0,0,0,0|0,1,0]=3 3463 B11R1.175 OC(=O)c1coc(n1)C(=O)C 1P01KLM4 [0,2,0,0,0,0|1,1,0]=4 3464 B11R1.175 OC(=O)c1csc(c1)C(=O)C 1P007HQS [0,2,0,0,0,0|0,0,0]=2 3465 B11R1.175 OC(=O)c1csc(n1)C(=O)C 1P000WJ4 [0,2,0,0,0,0|1,0,0]=3 3466 B11R1.175 OC(=O)c1n[nH]c(c1)C(=O)C 1P000U3D [0,2,0,0,0,0|2,0,0]=4 3467 B11R1.175 OC(=O)c1noc(c1)C(=O)C 1P00HXVX [0,2,0,0,0,0|1,1,0]=4 3468 B11R1.175 OC(=O)c1occ(c1)C(=O)O 1P0071U4 [0,2,0,0,0,0|0,1,1]=4 3469 B11R1.175 OC(=O)c1scc(c1)C(=O)O 1P00CKT1 [0,2,0,0,0,0|0,0,1]=3 3470 B11R1.175 [O-][N+](=O)c1csc(c1)C(=O)C 1P00COG2 [0,2,0,0,0,0|1,0,1]=4 3471 B11R1.175 [O-][N+](=O)c1scc(c1)C(=O)Cl 1P0069NO [0,2,0,0,0,0|2,0,0]=4 3472 B11R1.175 [O-][N+](=O)c1scc(c1)C(=O)O 1P0037P8 [0,2,0,0,0,0|1,0,0]=3 3473 B11R1.175 [O-][N+](=O)c1snc(c1)C(=O)O 1P00C6U3 [0,2,0,0,0,0|2,0,0]=4 3474 B11R1.473 CCc1[nH]nc(c1C)C(=O)O 1P00J1OF [0,2,0,0,0,0|2,0,0]=4 3475 B11R1.473 CCc1[nH]nc(c1Cl)C(=O)O 1P01A47X [0,2,0,0,0,0|2,0,0]=4 3476 B11R1.473 CCc1n[nH]c(c1Br)C(=O)O 1P01BG9Q [0,2,0,0,0,0|2,0,0]=4 3477 B11R1.473 CCc1n[nH]c(c1C)C(=O)O 1P008VUB [0,2,0,0,0,0|2,0,0]=4 3478 B11R1.473 CCc1noc(c1C)C(=O)O 1P004MXJ [0,2,0,0,0,0|2,0,0]=4 3479 B11R1.473 CCc1onc(c1C)C(=O)O 1P0090XX [0,2,0,0,0,0|1,1,0]=4 3480 B11R1.473 CCn1ccc(c1C)C(=O)O 1P01BU41 [0,2,0,0,0,0|2,0,0]=4 3481 B11R1.473 CCn1ncc(c1Br)C(=O)O 1P01BUCM [0,2,0,0,0,0|2,0,0]=4 3482 B11R1.473 CCn1ncc(c1Cl)C(=O)O 1P028PGH [0,2,0,0,0,0|2,0,0]=4 3483 B11R1.473 CCn1ncc(c1F)C(=O)O 1P01DQTB [0,2,0,0,0,0|2,0,0]=4 3484 B11R1.473 COc1n[nH]c(c1Br)C(=O)O 1P027X0V [0,2,0,0,0,0|2,0,0]=4 3485 B11R1.473 COc1n[nH]c(c1Cl)C(=O)O 1P01EKM5 [0,2,0,0,0,0|2,0,0]=4 3486 B11R1.473 COc1noc(c1Br)C(=O)O 1P028PXH [0,2,0,0,0,0|2,0,0]=4 3487 B11R1.473 COc1nsc(c1Br)C(=O)O 1P01ELSC [0,2,0,0,0,0|2,0,0]=4 3488 B11R1.473 COc1nsc(c1I)C(=O)O 1P027XI1 [0,2,0,0,0,0|2,0,0]=4 3489 B11R1.473 CSc1ncc(n1C)C(=O)O 1P02937E [0,2,0,0,0,0|2,0,0]=4 3490 B11R1.473 Cc1c(cnn1CC)C(=O)O 1P004EI5 [0,2,0,0,0,0|2,0,0]=4 3491 B11R1.646 Cc1sc(c(c1)S(=O)(=O)Cl)C 1P0060C2 [0,2,0,0,0,0|1,0,1]=4 3492 B11R1.646 Cc1sc(c(c1)S(=O)(=O)N)C 1P00A9X6 [0,2,0,0,0,0|1,0,1]=4 3493 B11R1.672 OC(=O)c1[nH]c(c(c1Cl)Cl)C 1P002PIP [0,2,0,0,0,0|2,0,0]=4 3494 B11R1.672 OC(=O)c1cc(n(c1C)C)C 1P00217G [0,2,0,0,0,0|1,0,0]=3 3495 B11R1.672 OC(=O)c1nc(n(c1C)C)C 1P028G8Z [0,2,0,0,0,0|2,0,0]=4 3496 B11R1.672 OC(=O)c1nn(c(c1Br)C)C 1P00EEDE [0,2,0,0,0,0|2,0,0]=4 3497 B11R1.672 OC(=O)c1nn(c(c1Cl)C)C 1P00E87Y [0,2,0,0,0,0|2,0,0]=4 3498 B11R1.672 OC(=O)c1nn(c(c1F)C)C 1P01JX59 [0,2,0,0,0,0|2,0,0]=4 3499 B11R1.672 OC(=O)c1nn(c(c1I)C)C 1P01DX1M [0,2,0,0,0,0|2,0,0]=4 3500 B11R1.672 OC(=O)c1nn(c(c1N)C)C 1P019SRF [0,2,0,0,0,0|2,0,0]=4 3501 B11R1.672 OC(=O)c1sc(c(c1C)Br)C 1P0291DT [0,2,0,0,0,0|2,0,0]=4 3502 B11R1.672 OC(=O)c1sc(c(c1C)C)Br 1P02892R [0,2,0,0,0,0|2,0,0]=4 3503 B11R1.672 OC(=O)c1sc(c(c1C)C)C 1P028T0F [0,2,0,0,0,0|2,0,0]=4 3504 B11R1.49 CCc1[nH]c(nc1C(=O)O)C 1P028FJV [0,2,0,0,0,0|2,0,0]=4 3505 B11R1.49 CCc1nc(oc1C(=O)O)C 1P020MUG [0,2,0,0,0,0|2,0,0]=4 3506 B11R1.49 CCc1nc(sc1C(=O)O)C 1P000Q2U [0,2,0,0,0,0|2,0,0]=4 3507 B11R1.49 CCc1nn(cc1C(=O)O)C 1P0092P1 [0,2,0,0,0,0|2,0,0]=4 3508 B11R1.49 CCc1oc(cc1C(=O)O)C 1P01DVVH [0,2,0,0,0,0|0,1,0]=3 3509 B11R1.49 CCc1sc(nc1C(=O)O)Cl 1P00HFH8 [0,2,0,0,0,0|2,0,0]=4 3510 B11R1.49 CCn1nc(cc1C(=O)O)C 1P00337V [0,2,0,0,0,0|2,0,0]=4 3511 B11R1.49 COc1cc(sc1C(=O)O)C 1P004UPQ [0,2,0,0,0,0|2,0,0]=4 3512 B11R1.49 COc1nn(cc1C(=O)O)C 1P00HCXP [0,2,0,0,0,0|2,0,0]=4 3513 B11R1.49 COc1oc(nc1C(=O)O)C 1P0284TO [0,2,0,0,0,0|1,1,0]=4 3514 B11R1.49 CSc1nn(cc1C(=O)O)C 1P01A4NP [0,2,0,0,0,0|2,0,0]=4 3515 B11R1.49 NCc1nn(cc1C(=O)O)C 1P028UQ1 [0,2,0,0,0,0|2,0,0]=4 3516 B11R1.49 NCc1nn(cc1C(=O)O)C 1P028US1 [0,2,0,0,0,0|2,0,0]=4 3517 B11R1.49 NCc1sc(nc1C(=O)O)Br 1P028BCA [0,2,0,0,0,0|2,0,0]=4 3518 B11R1.49 O=Cc1oc(cc1C(=O)O)Br 1P01BKQ9 [0,2,0,0,0,0|1,1,0]=4 3519 B11R1.49 O=Cc1sc(cc1C(=O)O)Br 1P01BRN3 [0,2,0,0,0,0|1,0,0]=3 3520 B11R1.49 O=Cc1sc(cc1C(=O)O)Cl 1P01FL6T [0,2,0,0,0,0|1,0,0]=3 3521 B11R1.673 CC(=O)c1c(C)[nH]c(c1C)C 1P002EQV [0,2,0,0,0,0|2,0,0]=4 3522 B11R1.673 NC(=O)c1c(N)sc(c1C)C 1P00D8LD [0,2,0,0,0,0|1,0,0]=3 3523 B11R1.673 OC(=O)c1c(Br)nn(c1Br)C 1P01SZVR [0,2,0,0,0,0|2,0,0]=4 3524 B11R1.673 OC(=O)c1c(Br)nn(c1C)C 1P01KUDS [0,2,0,0,0,0|2,0,0]=4 3525 B11R1.673 OC(=O)c1c(Br)sc(c1C)Br 1P028YF3 [0,2,0,0,0,0|1,0,0]=3 3526 B11R1.673 OC(=O)c1c(Br)sc(c1C)C 1P00ANLS [0,2,0,0,0,0|0,0,0]=2 3527 B11R1.673 OC(=O)c1c(C)[nH]c(c1C)C 1P028QCS [0,2,0,0,0,0|1,0,0]=3 3528 B11R1.673 OC(=O)c1c(C)cn(c1C)C 1P00FSQB [0,2,0,0,0,0|2,0,0]=4 3529 B11R1.673 OC(=O)c1c(C)nc(n1O)C 1P028UV2 [0,2,0,0,0,0|2,0,0]=4 3530 B11R1.673 OC(=O)c1c(C)nn(c1Br)C 1P00VVF5 [0,2,0,0,0,0|2,0,0]=4 3531 B11R1.673 OC(=O)c1c(C)nn(c1C)C 1P00HCUW [0,2,0,0,0,0|2,0,0]=4 3532 B11R1.673 OC(=O)c1c(C)nn(c1Cl)C 1P00BFWJ [0,2,0,0,0,0|2,0,0]=4 3533 B11R1.673 OC(=O)c1c(C)nn(c1F)C 1P019Z28 [0,2,0,0,0,0|2,0,0]=4 3534 B11R1.673 OC(=O)c1c(C)nn(c1I)C 1P0280AK [0,2,0,0,0,0|2,0,0]=4 3535 B11R1.673 OC(=O)c1c(C)nn(c1N)C 1P01A30V [0,2,0,0,0,0|2,0,0]=4 3536 B11R1.673 OC(=O)c1c(C)nn(c1N)C 1P028R54 [0,2,0,0,0,0|2,0,0]=4 3537 B11R1.673 OC(=O)c1c(C)oc(c1Br)C 1P00J6AW [0,2,0,0,0,0|0,1,0]=3 3538 B11R1.673 OC(=O)c1c(C)oc(c1C)Br 1P01DX6Z [0,2,0,0,0,0|1,1,0]=4 3539 B11R1.673 OC(=O)c1c(C)oc(c1C)C 1P002WRC [0,2,0,0,0,0|0,1,0]=3 3540 B11R1.673 OC(=O)c1c(C)oc(c1S)C 1P01BG1C [0,2,0,0,0,0|0,1,0]=3 3541 B11R1.673 OC(=O)c1c(C)sc(c1Br)C 1P00DJUP [0,2,0,0,0,0|0,0,0]=2 3542 B11R1.673 OC(=O)c1c(C)sc(c1C)Br 1P01Q0Q9 [0,2,0,0,0,0|1,0,0]=3 3543 B11R1.673 OC(=O)c1c(C)sc(c1C)C 1P027WO3 [0,2,0,0,0,0|0,0,0]=2 3544 B11R1.673 OC(=O)c1c(Cl)nn(c1C)C 1P01BVP1 [0,2,0,0,0,0|2,0,0]=4 3545 B11R1.673 OC(=O)c1c(Cl)nn(c1Cl)C 1P01B7E2 [0,2,0,0,0,0|2,0,0]=4 3546 B11R1.673 OC(=O)c1c(Cl)sc(c1C)C 1P01ACX3 [0,2,0,0,0,0|0,0,0]=2 3547 B11R1.673 OC(=O)c1c(Cl)sc(c1C)Cl 1P028HS2 [0,2,0,0,0,0|1,0,0]=3 3548 B11R1.673 OC(=O)c1c(Cl)sc(c1Cl)Cl 1P028PPE [0,2,0,0,0,0|1,0,0]=3 3549 B11R1.673 OC(=O)c1c(I)sc(c1C)C 1P00A0JJ [0,2,0,0,0,0|0,0,0]=2 3550 B11R1.673 OC(=O)c1c(N)sc(c1C)C 1P00DCJR [0,2,0,0,0,0|0,0,0]=2 3551 B11R1.673 OC(=O)c1n(C)nc(c1Br)C 1P00IAQS [0,2,0,0,0,0|2,0,0]=4 3552 B11R1.673 OC(=O)c1n(C)nc(c1Cl)C 1P00IKII [0,2,0,0,0,0|2,0,0]=4 3553 B11R1.673 OC(=O)c1n(C)nc(c1F)C 1P01DIDA [0,2,0,0,0,0|2,0,0]=4 3554 B11R1.673 OC(=O)c1n(C)nc(c1I)C 1P01C0JF [0,2,0,0,0,0|2,0,0]=4 3555 B11R1.673 OC(=O)c1n(C)nc(c1S)C 1P027TNW [0,2,0,0,0,0|2,0,0]=4 3556 B11R1.64 CCc1c(C)scc1C(=O)O 1P008D3Q [0,2,0,0,0,0|0,0,0]=2 3557 B11R1.64 CCc1n(C)ccc1C(=O)O 1P01BCKP [0,2,0,0,0,0|2,0,0]=4 3558 B11R1.64 CCc1n(C)ncc1C(=O)O 1P019UT9 [0,2,0,0,0,0|2,0,0]=4 3559 B11R1.64 CCc1n(C)ncc1C(=O)O 1P01AJPO [0,2,0,0,0,0|2,0,0]=4 3560 B11R1.64 COc1c(Br)scc1C(=O)O 1P001TXV [0,2,0,0,0,0|1,0,0]=3 3561 B11R1.64 COc1c(C)csc1C(=O)O 1P00JFN0 [0,2,0,0,0,0|2,0,0]=4 3562 B11R1.64 COc1c(C)scc1C(=O)O 1P028S0Y [0,2,0,0,0,0|0,0,0]=2 3563 B11R1.64 COc1c(Cl)scc1C(=O)O 1P0072MU [0,2,0,0,0,0|1,0,0]=3 3564 B11R1.64 COc1n(C)ncc1C(=O)O 1P01ANV0 [0,2,0,0,0,0|2,0,0]=4 3565 B11R1.64 CSc1n(C)ncc1C(=O)O 1P01AVJQ [0,2,0,0,0,0|2,0,0]=4 3566 B11R1.64 N#Cc1n(C)ncc1C(=O)O 1P00GEEU [0,2,0,0,0,0|2,0,0]=4 3567 B11R1.64 NCc1n(C)ncc1C(=O)O 1P01ADDO [0,2,0,0,0,0|2,0,0]=4 3568 B11R1.64 O=Cc1c(C)noc1C(=O)O 1P007MWY [0,2,0,0,0,0|2,0,0]=4 3569 B11R1.64 O=Cc1n(C)ncc1C(=O)O 1P01ANIT [0,2,0,0,0,0|2,0,0]=4 3570 B9R1.6 OC(=O)C1=CCCSC1 1P01AI3M [0,0,1,1,0,0|0,0,2]=4 3571 B9R1.6 OC(=O)C1=CSCCO1 1P000GOL [0,0,1,1,0,0|1,0,1]=4 3572 B9R1.6 OC(=O)c1ccccc1 1P0034YN [0,0,1,1,0,0|1,0,1]=4 3573 B9R1.6 OC(=O)c1ccccc1 1P003U1P [0,0,1,1,0,0|1,0,1]=4 3574 B9R1.6 OC(=O)c1ccccc1 1P0080KJ [0,0,1,1,0,0|1,0,1]=4 3575 B9R1.6 OC(=O)c1ccccc1 1P00GSC1 [0,0,1,1,0,0|1,0,1]=4 3576 B9R1.6 OC(=O)c1ccccc1 1P01JV1A [0,0,1,1,0,0|1,0,1]=4 3577 B9R1.6 OC(=O)c1cccnc1 1P00EZXS [0,0,1,1,0,0|1,0,1]=4 3578 B9R1.6 OC(=O)c1cccnc1 1P00IBTV [0,0,1,1,0,0|1,0,1]=4 3579 B9R1.6 OC(=O)c1cncnc1 1P003NF7 [0,0,1,1,0,0|2,0,0]=4 3580 B9R2.2 c1scc(c1)C2CO2 1P005LY2 [1,0,0,1,0,0|1,0,1]=4 3581 B11R2.139 Cc1sc2c(c1)sc(n2)N 1P019Z5W [0,0,0,1,0,1|2,0,0]=4 3582 B7R0.16 CC(=C(C(=O)O)Br)C 1P001Q6W [0,0,1,0,1,0|2,0,0]=4 3583 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [0,0,1,0,1,0|1,0,1]=4 3584 B7R0.16 CC(=C(C(=O)O)Cl)C 1P01QZ77 [0,0,1,0,1,0|2,0,0]=4 3585 B7R0.16 CC(=C(C(=O)O)F)C 1P01A0CN [0,0,1,0,1,0|2,0,0]=4 3586 B7R0.16 CC(C(=C)C(=O)O)C 1P00DRDO [0,0,1,0,1,0|1,0,1]=4 3587 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [1,0,0,0,1,0|0,0,2]=4 3588 B7R1.12 CC1=CC1C(=O)O 1P01A35R [0,0,0,0,2,0|0,0,1]=3 3589 B9R1.2 Brc1cc(C=O)cnc1 1P0034P6 [1,0,0,0,0,1|2,0,0]=4 3590 B9R1.2 Brc1cc(C=O)ncc1 1P00104V [1,0,0,0,0,1|2,0,0]=4 3591 B9R1.2 Brc1cc(C=O)ncn1 1P01FSQP [1,0,0,0,0,1|2,0,0]=4 3592 B9R1.2 C=Cc1cccc(c1)C 1P0000ON [1,0,0,0,0,1|2,0,0]=4 3593 B9R1.2 Cc1cc(C=C)cnc1 1P00DF2A [1,0,0,0,0,1|2,0,0]=4 3594 B9R1.2 Cc1cc(C=C)ncc1 1P001BT8 [1,0,0,0,0,1|2,0,0]=4 3595 B9R1.2 Cc1cc(C=O)cnc1 1P0003MU [1,0,0,0,0,1|1,0,0]=3 3596 B9R1.2 Cc1cc(C=O)ncc1 1P003M99 [1,0,0,0,0,1|1,0,0]=3 3597 B9R1.2 Cc1cc(C=O)ncn1 1P009RCX [1,0,0,0,0,1|1,0,0]=3 3598 B9R1.2 Cc1cc(CO)cnc1 1P00071U [1,0,0,0,0,1|1,0,1]=4 3599 B9R1.2 Cc1cc(CO)cnc1 1P028PCG [1,0,0,0,0,1|1,0,1]=4 3600 B9R1.2 Cc1cc(CO)ncc1 1P00BYNN [1,0,0,0,0,1|1,0,1]=4 3601 B9R1.2 Cc1cc(CO)ncn1 1P005K5A [1,0,0,0,0,1|1,0,1]=4 3602 B9R1.2 Cc1ccnc(n1)C=O 1P00ILN9 [1,0,0,0,0,1|2,0,0]=4 3603 B9R1.2 Cc1cncc(n1)C=O 1P000DN6 [1,0,0,0,0,1|2,0,0]=4 3604 B9R1.2 Clc1cc(C=O)cnc1 1P007RRE [1,0,0,0,0,1|2,0,0]=4 3605 B9R1.2 Clc1cc(C=O)ncc1 1P003LP1 [1,0,0,0,0,1|2,0,0]=4 3606 B9R1.2 Clc1cc(C=O)ncn1 1P019D1U [1,0,0,0,0,1|2,0,0]=4 3607 B9R1.2 Fc1cc(C=O)cnc1 1P00778O [1,0,0,0,0,1|2,0,0]=4 3608 B9R1.2 Fc1cc(C=O)cnc1 1P01AG2V [1,0,0,0,0,1|2,0,0]=4 3609 B9R1.2 Fc1cc(C=O)ncc1 1P008ZJK [1,0,0,0,0,1|2,0,0]=4 3610 B9R1.2 Ic1cc(C=O)cnc1 1P004H9C [1,0,0,0,0,1|2,0,0]=4 3611 B9R1.2 O=Cc1cc[nH]c(=O)c1 1P002HFI [1,0,0,0,0,1|2,0,0]=4 3612 B9R1.2 O=Cc1cccc(c1)Br 1P00343C [1,0,0,0,0,1|2,0,0]=4 3613 B9R1.2 O=Cc1cccc(c1)C 1P003K77 [1,0,0,0,0,1|1,0,0]=3 3614 B9R1.2 O=Cc1cccc(c1)Cl 1P00IAWD [1,0,0,0,0,1|2,0,0]=4 3615 B9R1.2 O=Cc1cccc(c1)F 1P003465 [1,0,0,0,0,1|2,0,0]=4 3616 B9R1.2 O=Cc1cccc(c1)I 1P003475 [1,0,0,0,0,1|2,0,0]=4 3617 B9R1.2 O=Cc1cccc(c1)N 1P000X9L [1,0,0,0,0,1|2,0,0]=4 3618 B9R1.2 O=Cc1cccc(c1)O 1P0000OK [1,0,0,0,0,1|2,0,0]=4 3619 B9R1.2 O=Cc1cccc(c1)S 1P01A8YV [1,0,0,0,0,1|2,0,0]=4 3620 B9R1.2 O=Cc1cccc(n1)C 1P003NRK [1,0,0,0,0,1|2,0,0]=4 3621 B9R1.2 O=Cc1ccnc(c1)Br 1P003H5M [1,0,0,0,0,1|2,0,0]=4 3622 B9R1.2 O=Cc1ccnc(c1)C 1P0037DJ [1,0,0,0,0,1|1,0,0]=3 3623 B9R1.2 O=Cc1ccnc(c1)Cl 1P000448 [1,0,0,0,0,1|2,0,0]=4 3624 B9R1.2 O=Cc1ccnc(c1)Cl 1P000K6W [1,0,0,0,0,1|2,0,0]=4 3625 B9R1.2 O=Cc1ccnc(c1)F 1P00104Q [1,0,0,0,0,1|2,0,0]=4 3626 B9R1.2 O=Cc1ccnc(n1)C 1P0002D1 [1,0,0,0,0,1|2,0,0]=4 3627 B9R1.2 OCc1cccc(c1)C 1P003K7G [1,0,0,0,0,1|1,0,1]=4 3628 B9R1.2 OCc1ccnc(c1)C 1P007XDG [1,0,0,0,0,1|1,0,1]=4 3629 B9R1.2 Oc1cc(C=O)cnc1 1P003N9K [1,0,0,0,0,1|2,0,0]=4 3630 B9R1.13 CC(=O)Cc1cocc1 1P01BBKY [1,0,0,0,0,1|1,1,0]=4 3631 B9R1.13 CC(=O)Cc1cscc1 1P00EDS1 [1,0,0,0,0,1|1,0,0]=3 3632 B9R1.13 CC(=O)Nc1cscc1 1P003SRX [1,0,0,0,0,1|1,0,0]=3 3633 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [1,0,0,0,0,1|1,0,1]=4 3634 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [1,0,0,0,0,1|1,0,1]=4 3635 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [1,0,0,0,0,1|1,0,1]=4 3636 B9R1.13 ClC(=O)Cc1cscc1 1P0014CA [1,0,0,0,0,1|1,0,0]=3 3637 B9R1.13 ClC(=O)Cc1cscn1 1P028XB8 [1,0,0,0,0,1|2,0,0]=4 3638 B9R1.13 NC(=N)Cc1cscc1 1P01AAMS [1,0,0,0,0,1|2,0,0]=4 3639 B9R1.13 NC(=O)Cc1cscc1 1P009XM0 [1,0,0,0,0,1|1,0,0]=3 3640 B9R1.13 NC(=S)Nc1cscc1 1P01GNHW [1,0,0,0,0,1|1,1,0]=4 3641 B9R1.13 OC(=O)C[C-]1C=CC=C1 1P000YSM [1,0,0,0,0,1|1,0,1]=4 3642 B9R1.13 OC(=O)Cc1c[nH]cc1 1P004ORH [1,0,0,0,0,1|1,0,0]=3 3643 B9R1.13 OC(=O)Cc1c[nH]cn1 1P0036HP [1,0,0,0,0,1|2,0,0]=4 3644 B9R1.13 OC(=O)Cc1c[nH]nc1 1P00H3LO [1,0,0,0,0,1|2,0,0]=4 3645 B9R1.13 OC(=O)Cc1c[nH]nc1 1P01EKNO [1,0,0,0,0,1|2,0,0]=4 3646 B9R1.13 OC(=O)Cc1cc[nH]n1 1P0008PW [1,0,0,0,0,1|2,0,0]=4 3647 B9R1.13 OC(=O)Cc1cc[nH]n1 1P008U4I [1,0,0,0,0,1|2,0,0]=4 3648 B9R1.13 OC(=O)Cc1ccc[nH]1 1P003UJS [1,0,0,0,0,1|2,0,0]=4 3649 B9R1.13 OC(=O)Cc1ccco1 1P0038KQ [1,0,0,0,0,1|2,0,0]=4 3650 B9R1.13 OC(=O)Cc1cccs1 1P002FXX [1,0,0,0,0,1|2,0,0]=4 3651 B9R1.13 OC(=O)Cc1ccno1 1P01DFCS [1,0,0,0,0,1|2,0,0]=4 3652 B9R1.13 OC(=O)Cc1ccon1 1P00ELO9 [1,0,0,0,0,1|1,1,0]=4 3653 B9R1.13 OC(=O)Cc1ccsn1 1P0008NI [1,0,0,0,0,1|1,0,0]=3 3654 B9R1.13 OC(=O)Cc1cnc[nH]1 1P00BYPQ [1,0,0,0,0,1|2,0,0]=4 3655 B9R1.13 OC(=O)Cc1cnco1 1P01DFCI [1,0,0,0,0,1|2,0,0]=4 3656 B9R1.13 OC(=O)Cc1cncs1 1P00DGD7 [1,0,0,0,0,1|2,0,0]=4 3657 B9R1.13 OC(=O)Cc1cnsn1 1P028TAA [1,0,0,0,0,1|2,0,0]=4 3658 B9R1.13 OC(=O)Cc1cocc1 1P000LCB [1,0,0,0,0,1|0,1,0]=3 3659 B9R1.13 OC(=O)Cc1cocn1 1P028NDU [1,0,0,0,0,1|1,1,0]=4 3660 B9R1.13 OC(=O)Cc1cscc1 1P003FLQ [1,0,0,0,0,1|0,0,0]=2 3661 B9R1.13 OC(=O)Cc1cscn1 1P0033BL [1,0,0,0,0,1|1,0,0]=3 3662 B9R1.13 OC(=O)Cc1csnc1 1P0008NH [1,0,0,0,0,1|1,0,0]=3 3663 B9R1.13 OC(=O)Cc1csnn1 1P01B5W0 [1,0,0,0,0,1|2,0,0]=4 3664 B9R1.13 OC(=O)Cc1nscn1 1P0289V2 [1,0,0,0,0,1|2,0,0]=4 3665 B9R1.13 OC(=O)Cn1cccc1 1P002FVW [1,0,0,0,0,1|2,0,0]=4 3666 B9R1.13 OC(=O)Cn1cncc1 1P002LT7 [1,0,0,0,0,1|2,0,0]=4 3667 B9R1.13 OC(=O)Cn1cncc1 1P004QDL [1,0,0,0,0,1|2,0,0]=4 3668 B9R1.13 OC(=S)Cc1cscn1 1P0068O0 [1,0,0,0,0,1|1,1,0]=4 3669 B11R1.20 CC(=O)Cc1ccc(cc1)C 1P002KSA [0,0,0,0,0,2|2,0,0]=4 3670 B11R1.20 CC(=O)Cc1ccc(cn1)C 1P005NKC [0,0,0,0,0,2|2,0,0]=4 3671 B11R1.20 CC(=O)Nc1ccc(cc1)C 1P0034KG [0,0,0,0,0,2|2,0,0]=4 3672 B11R1.20 CC(=O)Nc1ccc(cn1)C 1P00I9B5 [0,0,0,0,0,2|2,0,0]=4 3673 B11R1.20 CC(=O)Oc1ccc(cc1)C 1P001CE9 [0,0,0,0,0,2|2,0,0]=4 3674 B11R1.20 ClC(=O)Cc1ccc(cc1)C 1P00C0VI [0,0,0,0,0,2|2,0,0]=4 3675 B11R1.20 NC(=O)Nc1ccc(cc1)C 1P003UI8 [0,0,0,0,0,2|2,0,0]=4 3676 B11R1.20 OC(=O)Cc1ccc(=O)[nH]c1 1P01BGNA [0,0,0,0,0,2|2,0,0]=4 3677 B11R1.20 OC(=O)Cc1ccc(cc1)Br 1P002GYL [0,0,0,0,0,2|2,0,0]=4 3678 B11R1.20 OC(=O)Cc1ccc(cc1)C 1P0037QY [0,0,0,0,0,2|1,0,0]=3 3679 B11R1.20 OC(=O)Cc1ccc(cc1)Cl 1P002GYN [0,0,0,0,0,2|2,0,0]=4 3680 B11R1.20 OC(=O)Cc1ccc(cc1)F 1P003LWO [0,0,0,0,0,2|2,0,0]=4 3681 B11R1.20 OC(=O)Cc1ccc(cc1)I 1P0027Q4 [0,0,0,0,0,2|2,0,0]=4 3682 B11R1.20 OC(=O)Cc1ccc(cc1)N 1P000PYE [0,0,0,0,0,2|2,0,0]=4 3683 B11R1.20 OC(=O)Cc1ccc(cc1)O 1P001OVW [0,0,0,0,0,2|2,0,0]=4 3684 B11R1.20 OC(=O)Cc1ccc(cc1)S 1P003M2M [0,0,0,0,0,2|2,0,0]=4 3685 B11R1.20 OC(=O)Cc1ccc(cn1)Br 1P002GMX [0,0,0,0,0,2|2,0,0]=4 3686 B11R1.20 OC(=O)Cc1ccc(cn1)Br 1P002GN0 [0,0,0,0,0,2|2,0,0]=4 3687 B11R1.20 OC(=O)Cc1ccc(cn1)C 1P000QTE [0,0,0,0,0,2|1,0,0]=3 3688 B11R1.20 OC(=O)Cc1ccc(cn1)Cl 1P00015I [0,0,0,0,0,2|2,0,0]=4 3689 B11R1.20 OC(=O)Cc1ccc(cn1)Cl 1P01B9YY [0,0,0,0,0,2|2,0,0]=4 3690 B11R1.20 OC(=O)Cc1ccc(cn1)F 1P00015T [0,0,0,0,0,2|2,0,0]=4 3691 B11R1.20 OC(=O)Cc1ccc(cn1)F 1P01BH4I [0,0,0,0,0,2|2,0,0]=4 3692 B11R1.20 OC(=O)Cc1ccc(cn1)I 1P00HHRJ [0,0,0,0,0,2|2,0,0]=4 3693 B11R1.20 OC(=O)Cc1ccc(cn1)O 1P01BG9X [0,0,0,0,0,2|2,0,0]=4 3694 B11R1.20 OC(=O)Cc1ccc(nc1)Br 1P01DM6P [0,0,0,0,0,2|2,0,0]=4 3695 B11R1.20 OC(=O)Cc1ccc(nc1)C 1P002B7O [0,0,0,0,0,2|1,0,0]=3 3696 B11R1.20 OC(=O)Cc1ccc(nc1)Cl 1P00I8AD [0,0,0,0,0,2|2,0,0]=4 3697 B11R1.20 OC(=O)Cc1ccc(nc1)F 1P00015S [0,0,0,0,0,2|2,0,0]=4 3698 B11R1.20 OC(=O)Cc1ccc(nc1)N 1P00CLD9 [0,0,0,0,0,2|2,0,0]=4 3699 B11R1.20 OC(=O)Cc1cnc(nc1)Cl 1P01XA94 [0,0,0,0,0,2|2,0,0]=4 3700 B11R1.20 [O-]C(=O)Cc1cnc(cn1)C 1P01FLEU [0,0,0,0,0,2|1,0,1]=4 3701 B11R1.75 Cc1cc([nH]n1)CCC(=O)O 1P01CAOO [0,0,0,0,0,2|2,0,0]=4 3702 B11R1.75 Cc1cc(no1)CCC(=O)O 1P008O5K [0,0,0,0,0,2|1,1,0]=4 3703 B11R1.75 Cc1cc(no1)OCC(=O)O 1P00EIEJ [0,0,0,0,0,2|1,1,0]=4 3704 B11R1.75 Cc1cc(on1)CCC(=O)O 1P001NY2 [0,0,0,0,0,2|2,0,0]=4 3705 B11R1.75 Cc1cc(on1)\C=C\C(=O)O 1P027U2I [0,0,0,0,0,2|2,0,0]=4 3706 B11R1.75 Cc1cc(sc1)CCC(=O)O 1P00IAU7 [0,0,0,0,0,2|2,0,0]=4 3707 B11R1.75 Cc1ccc(o1)C=CC(=O)O 1P001FO6 [0,0,0,0,0,2|2,0,0]=4 3708 B11R1.75 Cc1ccc(o1)CCC(=O)O 1P019TZL [0,0,0,0,0,2|2,0,0]=4 3709 B11R1.75 Cc1ccc(o1)\C=C\C(=O)O 1P019IGP [0,0,0,0,0,2|2,0,0]=4 3710 B11R1.75 Cc1ccc(s1)C#CC(=O)O 1P0174MU [0,0,0,0,0,2|2,0,0]=4 3711 B11R1.75 Cc1ccc(s1)C=CC(=O)O 1P00IMJW [0,0,0,0,0,2|2,0,0]=4 3712 B11R1.75 Cc1ccc(s1)CCC(=O)O 1P00HY1T [0,0,0,0,0,2|2,0,0]=4 3713 B11R1.75 Cc1ccc(s1)\C=C\C(=O)O 1P005KCC [0,0,0,0,0,2|2,0,0]=4 3714 B11R1.75 Cc1nc(cs1)CCC(=O)O 1P00LTQP [0,0,0,0,0,2|1,0,0]=3 3715 B11R1.75 Cc1nc(cs1)\C=C\C(=O)O 1P002DP7 [0,0,0,0,0,2|1,0,0]=3 3716 B11R1.75 Cc1ncc(o1)CCC(=O)O 1P028EE6 [0,0,0,0,0,2|2,0,0]=4 3717 B11R1.75 Cc1ncc(s1)C=CC(=O)O 1P01AI7S [0,0,0,0,0,2|2,0,0]=4 3718 B11R1.75 Cc1ncc(s1)CCC(=O)O 1P01E08B [0,0,0,0,0,2|2,0,0]=4 3719 B11R1.75 Nc1nc(cs1)CCC(=O)O 1P0001GW [0,0,0,0,0,2|2,0,0]=4 3720 B11R1.75 Nc1nc(cs1)CCC(=O)O 1P00J1UY [0,0,0,0,0,2|2,0,0]=4 3721 B11R1.75 OC(=O)C=Cc1ccn(c1)C 1P01BEA2 [0,0,0,0,0,2|2,0,0]=4 3722 B11R1.75 OC(=O)CCc1ccn(c1)C 1P01C3V7 [0,0,0,0,0,2|2,0,0]=4 3723 B11R1.75 OC(=O)CCc1cnn(c1)C 1P0057RU [0,0,0,0,0,2|2,0,0]=4 3724 B11R1.75 OC(=O)CCc1csc(c1)Br 1P01DVW3 [0,0,0,0,0,2|1,0,0]=3 3725 B11R1.75 OC(=O)CNc1cnn(c1)C 1P01BCC2 [0,0,0,0,0,2|2,0,0]=4 3726 B11R1.75 OC(=O)COc1cnn(c1)C 1P01B93D [0,0,0,0,0,2|2,0,0]=4 3727 B11R1.75 OC(=O)COc1cnn(c1)C 1P01B9BO [0,0,0,0,0,2|2,0,0]=4 3728 B11R1.75 OC(=O)CSc1cnn(c1)C 1P01XLXU [0,0,0,0,0,2|2,0,0]=4 3729 B11R1.75 OC(=O)\C=C\c1cnn(c1)C 1P005NMB [0,0,0,0,0,2|2,0,0]=4 3730 B11R1.157 CC(=O)Cc1cccc(c1)C 1P002H8X [0,0,0,0,0,2|2,0,0]=4 3731 B11R1.157 CC(=O)Cc1nccc(c1)C 1P0072NV [0,0,0,0,0,2|2,0,0]=4 3732 B11R1.157 CC(=O)Nc1cccc(c1)C 1P003K73 [0,0,0,0,0,2|2,0,0]=4 3733 B11R1.157 CC(=O)Nc1nccc(c1)C 1P00DA00 [0,0,0,0,0,2|2,0,0]=4 3734 B11R1.157 CC(=O)Oc1cccc(c1)C 1P0016ZW [0,0,0,0,0,2|2,0,0]=4 3735 B11R1.157 Cc1cc(CC(=O)O)ncc1 1P001MC9 [0,0,0,0,0,2|1,0,0]=3 3736 B11R1.157 Cc1cc(CC(=O)O)ncc1 1P00J3D5 [0,0,0,0,0,2|1,0,0]=3 3737 B11R1.157 Cc1cccc(n1)CC(=O)O 1P00H3BS [0,0,0,0,0,2|2,0,0]=4 3738 B11R1.157 Cc1cccc(n1)CC(=O)O 1P01UO90 [0,0,0,0,0,2|2,0,0]=4 3739 B11R1.157 ClC(=O)Cc1cccc(c1)C 1P001AQH [0,0,0,0,0,2|2,0,0]=4 3740 B11R1.157 ClC(=O)Oc1cccc(c1)C 1P002YUE [0,0,0,0,0,2|2,0,0]=4 3741 B11R1.157 OC(=O)Cc1cc(Br)ccn1 1P0096B0 [0,0,0,0,0,2|2,0,0]=4 3742 B11R1.157 OC(=O)Cc1cccc(c1)Br 1P002GYM [0,0,0,0,0,2|2,0,0]=4 3743 B11R1.157 OC(=O)Cc1cccc(c1)C 1P00391S [0,0,0,0,0,2|1,0,0]=3 3744 B11R1.157 OC(=O)Cc1cccc(c1)Cl 1P002GYO [0,0,0,0,0,2|2,0,0]=4 3745 B11R1.157 OC(=O)Cc1cccc(c1)F 1P00346B [0,0,0,0,0,2|2,0,0]=4 3746 B11R1.157 OC(=O)Cc1cccc(c1)I 1P002GYK [0,0,0,0,0,2|2,0,0]=4 3747 B11R1.157 OC(=O)Cc1cccc(c1)N 1P003JEL [0,0,0,0,0,2|2,0,0]=4 3748 B11R1.157 OC(=O)Cc1cccc(c1)N 1P01AHAA [0,0,0,0,0,2|2,0,0]=4 3749 B11R1.157 OC(=O)Cc1cccc(c1)O 1P00346V [0,0,0,0,0,2|2,0,0]=4 3750 B11R1.157 OC(=O)Cc1ccnc(c1)Br 1P00AQF9 [0,0,0,0,0,2|2,0,0]=4 3751 B11R1.157 OC(=O)Cc1ccnc(c1)Cl 1P00GS5K [0,0,0,0,0,2|2,0,0]=4 3752 B11R1.157 OC(=O)Cc1ccnc(c1)N 1P008C2R [0,0,0,0,0,2|2,0,0]=4 3753 B11R1.157 OC(=O)Cc1ccnc(c1)N 1P01DUNP [0,0,0,0,0,2|2,0,0]=4 3754 B11R1.157 OC(=O)Cc1ccnc(c1)O 1P01BYES [0,0,0,0,0,2|2,0,0]=4 3755 B11R1.157 OC(=O)Cc1ccnc(c1)O 1P028WOD [0,0,0,0,0,2|2,0,0]=4 3756 B11R1.157 OC(=O)Cc1cncc(c1)Br 1P0034OP [0,0,0,0,0,2|2,0,0]=4 3757 B11R1.157 OC(=O)Cc1cncc(c1)C 1P01AG1I [0,0,0,0,0,2|1,0,0]=3 3758 B11R1.157 OC(=O)Cc1cncc(c1)Cl 1P01SNYE [0,0,0,0,0,2|2,0,0]=4 3759 B11R1.157 OC(=O)Cc1cncc(c1)F 1P00CMVY [0,0,0,0,0,2|2,0,0]=4 3760 B11R1.157 OC(=O)Cc1cncc(c1)O 1P01AMHL [0,0,0,0,0,2|2,0,0]=4 3761 B11R1.157 [O-]C(=O)Cc1ccnc(c1)C 1P027L2T [0,0,0,0,0,2|1,0,1]=4