0 B12R1.34 CC(C(=O)c1ccccc1)C#N 1P005W96 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.34 CC(C(C#N)Br)c1ccccc1 1P01C0JZ [0,0,0,0,0,0|4,0,0]=4 2 B12R1.34 CC(C(C#N)Cl)c1ccccc1 1P01EMAW [0,0,0,0,0,0|4,0,0]=4 3 B12R1.34 CCC(C(=O)c1ccccc1)Br 1P00GWZY [0,0,0,0,0,0|2,0,2]=4 4 B12R1.34 CCC(C(=O)c1ccccc1)N 1P01EAC5 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.34 CCC(C(c1ccccc1)C)N 1P019U5I [0,0,0,0,0,0|3,0,0]=3 6 B12R1.34 CCC(C(c1ccccc1)N)C 1P00IDOC [0,0,0,0,0,0|2,0,0]=2 7 B12R1.34 CCC(C(c1ccccc1)O)N 1P00ENQI [0,0,0,0,0,0|2,0,0]=2 8 B12R1.34 CCC(C(c1ccccc1)O)N 1P01AAPQ [0,0,0,0,0,0|2,0,0]=2 9 B12R1.34 CNC(=O)C(c1ccccc1)N 1P00J2L9 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.34 CNC(=O)C(c1ccccc1)O 1P01K16T [0,0,0,0,0,0|1,0,1]=2 11 B12R1.34 CNC(=O)[C@@H](c1ccccc1)N 1P01A3EY [0,0,0,0,0,0|2,0,1]=3 12 B12R1.34 CNC(=O)[C@H](c1ccccc1)O 1P01K16S [0,0,0,0,0,0|1,0,1]=2 13 B12R1.34 CNC(C(=C)c1ccccc1)C 1P02898U [0,0,0,0,0,0|1,0,1]=2 14 B12R1.34 CNC(C(c1ccccc1)C)C 1P01AFP5 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.34 COC(=O)C(c1ccccc1)Br 1P0030JE [0,0,0,0,0,0|3,0,1]=4 16 B12R1.34 COC(=O)C(c1ccccc1)C 1P00C790 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.34 COC(=O)C(c1ccccc1)Cl 1P003S3V [0,0,0,0,0,0|3,0,1]=4 18 B12R1.34 COC(=O)C(c1ccccc1)F 1P00AMHM [0,0,0,0,0,0|3,0,1]=4 19 B12R1.34 COC(=O)C(c1ccccc1)N 1P003OHI [0,0,0,0,0,0|3,0,1]=4 20 B12R1.34 COC(=O)C(c1ccccc1)N 1P00BFQQ [0,0,0,0,0,0|3,0,1]=4 21 B12R1.34 COC(=O)C(c1ccccc1)O 1P00DEAI [0,0,0,0,0,0|2,0,1]=3 22 B12R1.34 COC(=O)C(c1ccccn1)O 1P028U92 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.34 COC(=O)C(c1cccnc1)O 1P01ABZ8 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.34 COC(=O)C(c1cccnc1)O 1P01W2TQ [0,0,0,0,0,0|3,0,1]=4 25 B12R1.34 COC(=O)[C@@H](c1ccccc1)C 1P00I772 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.34 COC(=O)[C@@H](c1ccccc1)N 1P00I44U [0,0,0,0,0,0|3,0,1]=4 27 B12R1.34 COC(=O)[C@@H](c1ccccc1)O 1P003PO8 [0,0,0,0,0,0|2,0,1]=3 28 B12R1.34 COC(=O)[C@@H](c1cccnc1)O 1P028F36 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.34 COC(=O)[C@H](c1ccccc1)N 1P0039EX [0,0,0,0,0,0|3,0,1]=4 30 B12R1.34 COC(=O)[C@H](c1ccccc1)O 1P003RNG [0,0,0,0,0,0|2,0,1]=3 31 B12R1.34 COC(=O)[C@H](c1cccnc1)O 1P028EE9 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.34 CON(C(=O)c1ccccc1)C 1P003TM6 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.34 NCC(C(c1ccccc1)C)N 1P01B969 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.34 NCC(C(c1ccccc1)C)O 1P01B7H0 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.34 NCC(N(c1ccccc1)C)C 1P00J28K [0,0,0,0,0,0|4,0,0]=4 36 B12R1.34 NCC(N(c1ccccc1)C)C 1P019NVD [0,0,0,0,0,0|4,0,0]=4 37 B12R1.34 NNC(=O)C(c1ccccc1)N 1P027VHP [0,0,0,0,0,0|3,0,1]=4 38 B12R1.34 NNC(=O)C(c1ccccc1)O 1P003RWC [0,0,0,0,0,0|2,0,1]=3 39 B12R1.34 NNC(=O)[C@@H](c1ccccc1)O 1P003CPR [0,0,0,0,0,0|2,0,1]=3 40 B12R1.34 OC(C(=C)C#N)c1ccccc1 1P01AAXD [0,0,0,0,0,0|2,0,2]=4 41 B12R1.34 OCC(C(=O)c1ccccc1)C 1P001XS0 [0,0,0,0,0,0|2,0,2]=4 42 B12R1.34 OCC(C(c1ccccc1)C)N 1P01AHV9 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.34 OCC(C(c1ccccn1)O)N 1P01C0T6 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.34 OCC(C(c1cccnc1)O)N 1P01C0RF [0,0,0,0,0,0|4,0,0]=4 45 B12R1.34 OCC(C(c1ccncc1)O)N 1P01C105 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.34 OC[C@@H]([C@H](c1ccccc1)O)N 1P003BZA [0,0,0,0,0,0|3,0,0]=3 47 B12R1.34 OC[C@H]([C@@H](c1ccccc1)O)N 1P003BX5 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.16 BrCCC(c1ccccc1)O 1P01BU72 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.16 C#CCC(c1ccccn1)O 1P00E8H0 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.16 C=CCC(c1ccccc1)N 1P019ZKP [1,0,0,0,0,0|2,0,1]=4 51 B11R1.16 C=CCC(c1ccccc1)O 1P003F2U [1,0,0,0,0,0|1,0,1]=3 52 B11R1.16 C=CCC(c1ccccn1)O 1P01BV6A [1,0,0,0,0,0|2,0,1]=4 53 B11R1.16 C=CC[C@@H](c1ccccc1)N 1P028TS3 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.16 C=CC[C@H](c1ccccc1)N 1P000GXM [1,0,0,0,0,0|2,0,1]=4 55 B11R1.16 C=CC[C@H](c1ccccc1)N 1P001104 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.16 CC(c1ccccc1)CC#C 1P01XITB [1,0,0,0,0,0|2,0,1]=4 57 B11R1.16 CC(c1ccccc1)CC#N 1P01A5MS [1,0,0,0,0,0|3,0,0]=4 58 B11R1.16 CCCC(=O)c1ccccc1 1P003P38 [1,0,0,0,0,0|1,0,2]=4 59 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [1,0,0,0,0,0|2,0,0]=3 60 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [1,0,0,0,0,0|2,0,0]=3 61 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [1,0,0,0,0,0|2,0,0]=3 62 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [1,0,0,0,0,0|1,0,0]=2 63 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [1,0,0,0,0,0|3,0,0]=4 64 B11R1.16 CCCC(c1ccccn1)N 1P006PDX [1,0,0,0,0,0|3,0,0]=4 65 B11R1.16 CCCC(c1ccccn1)O 1P028Z4O [1,0,0,0,0,0|2,0,0]=3 66 B11R1.16 CCCC(c1cccnc1)N 1P00IGO1 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.16 CCCC(c1ccncc1)N 1P0094A8 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.16 CCCC(c1ccncc1)N 1P01DUNN [1,0,0,0,0,0|3,0,0]=4 69 B11R1.16 CCNC(c1ccccc1)C 1P0004S9 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.16 CNCC(c1ccccc1)C 1P00E9JV [1,0,0,0,0,0|1,0,0]=2 71 B11R1.16 CNCC(c1ccccc1)C 1P00GWGF [1,0,0,0,0,0|1,0,0]=2 72 B11R1.16 CNCC(c1ccccc1)O 1P003QA3 [1,0,0,0,0,0|0,0,0]=1 73 B11R1.16 CNCC(c1cccnc1)O 1P01AKS6 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.16 CNC[C@H](c1ccccc1)C 1P027VJM [1,0,0,0,0,0|1,0,0]=2 75 B11R1.16 CNNC(=O)c1ccccc1 1P00AVBP [1,0,0,0,0,0|1,0,2]=4 76 B11R1.16 COCC(=O)c1ccccc1 1P003I0C [1,0,0,0,0,0|1,0,2]=4 77 B11R1.16 COCC(c1ccccc1)Br 1P01EM9D [1,0,0,0,0,0|2,0,0]=3 78 B11R1.16 COCC(c1ccccc1)N 1P00BBXF [1,0,0,0,0,0|2,0,0]=3 79 B11R1.16 COCC(c1ccccc1)N 1P01A9V2 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.16 COCC(c1ccccc1)O 1P01EMW6 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.16 COCC(c1ccccc1)S 1P01DZAM [1,0,0,0,0,0|1,1,0]=3 82 B11R1.16 COCC(c1ccccn1)N 1P00J267 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.16 COCC(c1ccccn1)N 1P00J3PD [1,0,0,0,0,0|3,0,0]=4 84 B11R1.16 COCC(c1ccncc1)N 1P01PNYD [1,0,0,0,0,0|3,0,0]=4 85 B11R1.16 COC[C@@H](c1ccccc1)N 1P00EG20 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.16 COC[C@@H](c1ccccc1)N 1P00IBV5 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.16 COC[C@@H](c1ccccn1)N 1P028NWT [1,0,0,0,0,0|3,0,0]=4 88 B11R1.16 COC[C@@H](c1cccnc1)N 1P028NCG [1,0,0,0,0,0|3,0,0]=4 89 B11R1.16 COC[C@H](c1ccccc1)N 1P006PB9 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.16 COC[C@H](c1ccccc1)N 1P01JX6V [1,0,0,0,0,0|2,0,0]=3 91 B11R1.16 COC[C@H](c1ccccn1)N 1P01FJSH [1,0,0,0,0,0|3,0,0]=4 92 B11R1.16 COC[C@H](c1cccnc1)N 1P028NBA [1,0,0,0,0,0|3,0,0]=4 93 B11R1.16 CSCC(=O)c1ccccc1 1P01A91B [1,0,0,0,0,0|1,0,2]=4 94 B11R1.16 CSCC(c1ccccc1)N 1P01AK47 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.16 CSCC(c1ccccc1)N 1P028BW7 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.16 ClCCC(c1ccccc1)Br 1P00BETV [1,0,0,0,0,0|3,0,0]=4 97 B11R1.16 ClCCC(c1ccccc1)O 1P000P0F [1,0,0,0,0,0|2,0,0]=3 98 B11R1.16 ClCC[C@@H](c1ccccc1)O 1P000210 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.16 ClCC[C@H](c1ccccc1)O 1P000211 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.16 NC(c1ccccc1)CC#C 1P0091EK [1,0,0,0,0,0|2,0,1]=4 101 B11R1.16 NC(c1ccccc1)CC#N 1P019ZNM [1,0,0,0,0,0|3,0,0]=4 102 B11R1.16 NC(c1ccccc1)CC#N 1P01A76R [1,0,0,0,0,0|3,0,0]=4 103 B11R1.16 NCCC(c1ccccc1)C 1P0075ZN [1,0,0,0,0,0|3,0,0]=4 104 B11R1.16 NCCC(c1ccccc1)C 1P00J1J3 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.16 NCCC(c1ccccc1)N 1P01A736 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.16 NCCC(c1ccccc1)O 1P000FT8 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.16 NCCC(c1ccccc1)O 1P006YZE [1,0,0,0,0,0|2,0,0]=3 108 B11R1.16 NCC[C@@H](c1ccccc1)O 1P000UKF [1,0,0,0,0,0|2,0,0]=3 109 B11R1.16 NCC[C@H](c1ccccc1)O 1P0019XH [1,0,0,0,0,0|2,0,0]=3 110 B11R1.16 N[C@@H](c1ccccc1)CC#N 1P01AGQM [1,0,0,0,0,0|3,0,0]=4 111 B11R1.16 O=CCC(c1ccccc1)C 1P001TO2 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.16 OC(c1ccccc1)CC#C 1P00201G [1,0,0,0,0,0|1,0,1]=3 113 B11R1.16 OC(c1ccccc1)CC#N 1P007DUP [1,0,0,0,0,0|2,0,0]=3 114 B11R1.16 OCCC(c1ccccc1)C 1P003KBY [1,0,0,0,0,0|3,0,0]=4 115 B11R1.16 OCCC(c1ccccc1)N 1P001DZI [1,0,0,0,0,0|3,0,0]=4 116 B11R1.16 OCCC(c1ccccc1)O 1P00DGFN [1,0,0,0,0,0|2,0,0]=3 117 B11R1.16 OCCC(c1ccccn1)O 1P00CGEO [1,0,0,0,0,0|3,0,0]=4 118 B11R1.16 OCC[C@@H](c1ccccc1)N 1P004Y9D [1,0,0,0,0,0|3,0,0]=4 119 B11R1.16 OCC[C@H](c1ccccc1)N 1P00385E [1,0,0,0,0,0|3,0,0]=4 120 B11R1.16 O[C@@H](c1ccccc1)CC#N 1P00FWTX [1,0,0,0,0,0|2,0,0]=3 121 B11R1.16 O[C@H](c1ccccc1)CC#N 1P01EMW1 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.36 BrC(c1ccccc1)C(=O)C 1P002MCS [1,0,0,0,0,0|2,0,1]=4 123 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [1,0,0,0,0,0|1,0,0]=2 124 B11R1.36 BrC(c1ccccc1)C(F)F 1P01EM7U [1,0,0,0,0,0|3,0,0]=4 125 B11R1.36 CC(=C(C)C)c1ccccc1 1P005FQH [1,0,0,0,0,0|1,0,2]=4 126 B11R1.36 CC(C(=C)c1ccccc1)C 1P0020JF [1,0,0,0,0,0|1,0,1]=3 127 B11R1.36 CC(C(=O)c1ccccc1)Br 1P002LSU [1,0,0,0,0,0|1,0,2]=4 128 B11R1.36 CC(C(=O)c1ccccc1)C 1P003RK4 [1,0,0,0,0,0|0,0,2]=3 129 B11R1.36 CC(C(=O)c1ccccc1)Cl 1P003HK2 [1,0,0,0,0,0|1,0,2]=4 130 B11R1.36 CC(C(=O)c1ccccc1)O 1P00381W [1,0,0,0,0,0|1,0,2]=4 131 B11R1.36 CC(C(=O)c1ccccc1)S 1P0014KR [1,0,0,0,0,0|1,0,2]=4 132 B11R1.36 CC(C(=O)c1ccccn1)C 1P003RL9 [1,0,0,0,0,0|1,0,2]=4 133 B11R1.36 CC(C(=O)c1cccnc1)C 1P00DDEN [1,0,0,0,0,0|1,0,2]=4 134 B11R1.36 CC(C(=O)c1ccncc1)C 1P018SQB [1,0,0,0,0,0|1,0,2]=4 135 B11R1.36 CC(C(c1ccccn1)C)C 1P01EW46 [1,0,0,0,0,0|2,0,0]=3 136 B11R1.36 CC(C(c1ccccn1)N)C 1P003I1G [1,0,0,0,0,0|2,0,0]=3 137 B11R1.36 CC(C(c1ccccn1)N)C 1P00J25O [1,0,0,0,0,0|2,0,0]=3 138 B11R1.36 CC(C(c1ccccn1)O)C 1P01A93C [1,0,0,0,0,0|1,0,0]=2 139 B11R1.36 CC(C(c1cccnc1)N)C 1P00CLHH [1,0,0,0,0,0|2,0,0]=3 140 B11R1.36 CC(C(c1cccnc1)N)C 1P00J26G [1,0,0,0,0,0|2,0,0]=3 141 B11R1.36 CC([C@@H](c1ccccn1)N)C 1P01DUNS [1,0,0,0,0,0|2,0,0]=3 142 B11R1.36 CC([C@H](c1ccccn1)N)C 1P01FQ3E [1,0,0,0,0,0|2,0,0]=3 143 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [1,0,0,0,0,0|2,0,1]=4 144 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [1,0,0,0,0,0|2,0,1]=4 145 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [1,0,0,0,0,0|2,0,1]=4 146 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [1,0,0,0,0,0|1,0,0]=2 147 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [1,0,0,0,0,0|1,0,0]=2 148 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.36 CC(c1ccncc1)C(C)C 1P01FF85 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.36 CN(C(=O)c1ccccc1)C 1P003T1L [1,0,0,0,0,0|1,0,2]=4 151 B11R1.36 CN(C(=O)c1ccccc1)N 1P00AO6B [1,0,0,0,0,0|1,0,2]=4 152 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [1,0,0,0,0,0|2,0,0]=3 153 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [1,0,0,0,0,0|2,0,1]=4 154 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [1,0,0,0,0,0|2,0,0]=3 155 B11R1.36 ClC(c1ccccc1)C(=O)C 1P00DQWI [1,0,0,0,0,0|2,0,1]=4 156 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [1,0,0,0,0,0|2,0,1]=4 157 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [1,0,0,0,0,0|1,0,0]=2 158 B11R1.36 NC(c1ccccc1)C(=O)C 1P00BZXU [1,0,0,0,0,0|2,0,1]=4 159 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [1,0,0,0,0,0|2,0,1]=4 160 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [1,0,0,0,0,0|2,0,1]=4 161 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [1,0,0,0,0,0|1,0,0]=2 162 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [1,0,0,0,0,0|1,0,0]=2 163 B11R1.36 NC(c1ccccc1)C(F)F 1P01AMBO [1,0,0,0,0,0|3,0,0]=4 164 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [1,0,0,0,0,0|2,0,0]=3 165 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [1,0,0,0,0,0|2,0,0]=3 166 B11R1.36 NC(c1ccncc1)C(C)C 1P00EKIT [1,0,0,0,0,0|2,0,0]=3 167 B11R1.36 NC(c1ncccn1)C(C)C 1P027VJU [1,0,0,0,0,0|3,0,0]=4 168 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [1,0,0,0,0,0|2,0,1]=4 169 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [1,0,0,0,0,0|2,0,1]=4 170 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [1,0,0,0,0,0|1,0,0]=2 171 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [1,0,0,0,0,0|1,0,0]=2 172 B11R1.36 N[C@@H](c1ccccc1)C(F)F 1P01E61P [1,0,0,0,0,0|3,0,0]=4 173 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [1,0,0,0,0,0|2,0,0]=3 174 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [1,0,0,0,0,0|2,0,0]=3 175 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [1,0,0,0,0,0|2,0,1]=4 176 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [1,0,0,0,0,0|2,0,1]=4 177 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [1,0,0,0,0,0|1,0,0]=2 178 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [1,0,0,0,0,0|1,0,0]=2 179 B11R1.36 N[C@H](c1ccccc1)C(F)F 1P01DZT4 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [1,0,0,0,0,0|2,0,0]=3 181 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [1,0,0,0,0,0|2,0,0]=3 182 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [1,0,0,0,0,0|2,0,0]=3 183 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [1,0,0,0,0,0|1,0,1]=3 184 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [1,0,0,0,0,0|1,0,1]=3 185 B11R1.36 OC(c1ccccc1)C(=O)O 1P003790 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.36 OC(c1ccccc1)C(=O)[O-] 1P000AQ7 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [1,0,0,0,0,0|0,0,0]=1 188 B11R1.36 OC(c1ccccc1)C(F)F 1P019DAC [1,0,0,0,0,0|2,0,0]=3 189 B11R1.36 OC(c1ccncc1)C(N)C 1P01AAOY [1,0,0,0,0,0|1,0,0]=2 190 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [1,0,0,0,0,0|1,0,1]=3 191 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P000Q83 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P0035JL [1,0,0,0,0,0|2,0,1]=4 193 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [1,0,0,0,0,0|0,0,0]=1 194 B11R1.36 O[C@@H](c1ccccc1)C(F)F 1P01ALTG [1,0,0,0,0,0|2,0,0]=3 195 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [1,0,0,0,0,0|1,0,1]=3 196 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P000Q82 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P0032UD [1,0,0,0,0,0|2,0,1]=4 198 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P01JVEL [1,0,0,0,0,0|2,0,1]=4 199 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [1,0,0,0,0,0|0,0,0]=1 200 B11R1.36 O[C@H](c1ccccc1)C(F)F 1P01BCSU [1,0,0,0,0,0|2,0,0]=3 201 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [1,0,0,0,0,0|0,1,0]=2 202 B11R1.40 BrC(Cc1ccccc1)C#N 1P00ERAI [1,0,0,0,0,0|3,0,0]=4 203 B11R1.40 C=CC(Cc1ccccc1)O 1P00ENKF [1,0,0,0,0,0|2,0,1]=4 204 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [1,0,0,0,0,0|2,0,1]=4 206 B11R1.40 CC(NC)Cc1cnccn1 1P00GVWO [1,0,0,0,0,0|2,0,0]=3 207 B11R1.40 CC(Nc1ccccc1)C#N 1P00BK55 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.40 CC(Oc1ccccc1)C#N 1P01AIKQ [1,0,0,0,0,0|3,0,0]=4 209 B11R1.40 CC(Sc1ccccc1)C#N 1P01EK9I [1,0,0,0,0,0|3,0,0]=4 210 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [1,0,0,0,0,0|2,0,0]=3 212 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [1,0,0,0,0,0|2,0,0]=3 213 B11R1.40 CCC(Cc1ccncc1)Br 1P01B1VS [1,0,0,0,0,0|3,0,0]=4 214 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [1,0,0,0,0,0|3,0,0]=4 215 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [1,0,0,0,0,0|2,0,0]=3 216 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [1,0,0,0,0,0|2,0,0]=3 217 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [1,0,0,0,0,0|2,0,0]=3 218 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [1,0,0,0,0,0|2,0,0]=3 219 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [1,0,0,0,0,0|2,0,0]=3 220 B11R1.40 CNC(=Cc1ccccc1)C 1P01B1W1 [1,0,0,0,0,0|0,0,2]=3 221 B11R1.40 CNC(=O)Cc1ccccc1 1P00FF7Y [1,0,0,0,0,0|1,0,1]=3 222 B11R1.40 CNC(=O)Cc1cccnc1 1P009TNL [1,0,0,0,0,0|2,0,1]=4 223 B11R1.40 CNC(=O)Nc1ccccc1 1P008SLO [1,0,0,0,0,0|2,0,1]=4 224 B11R1.40 CNC(=O)Oc1ccccc1 1P007S45 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.40 CNC(=S)Nc1ccccc1 1P007M3I [1,0,0,0,0,0|2,0,1]=4 226 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [1,0,0,0,0,0|1,0,0]=2 227 B11R1.40 CNC(Cc1ccccn1)C 1P00D9XC [1,0,0,0,0,0|1,0,0]=2 228 B11R1.40 COC(=N)Cc1ccccc1 1P00CMTE [1,0,0,0,0,0|2,0,1]=4 229 B11R1.40 COC(=O)Cc1ccccc1 1P0003W2 [1,0,0,0,0,0|2,0,1]=4 230 B11R1.40 ClC(Cc1ccccc1)C#N 1P0026K2 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [1,0,0,0,0,0|3,0,0]=4 232 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [1,0,0,0,0,0|2,0,1]=4 234 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [1,0,0,0,0,0|3,0,0]=4 235 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [1,0,0,0,0,0|3,0,0]=4 236 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [1,0,0,0,0,0|3,0,0]=4 238 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [1,0,0,0,0,0|3,0,0]=4 239 B11R1.40 NCC(Cc1ccccn1)C 1P01BU05 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.40 NCC(Cc1ccccn1)C 1P027VI5 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.40 NCC(Nc1ccccc1)C 1P019TJC [1,0,0,0,0,0|3,0,0]=4 242 B11R1.40 NCC(Oc1ccccc1)C 1P003IBC [1,0,0,0,0,0|3,0,0]=4 243 B11R1.40 NCC(Oc1ccccc1)C 1P00IKNL [1,0,0,0,0,0|3,0,0]=4 244 B11R1.40 NCC(Sc1ccccc1)C 1P019SS7 [1,0,0,0,0,0|3,0,0]=4 245 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [1,0,0,0,0,0|3,0,0]=4 246 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [1,0,0,0,0,0|3,0,0]=4 247 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [1,0,0,0,0,0|3,0,0]=4 248 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [1,0,0,0,0,0|3,0,0]=4 249 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [1,0,0,0,0,0|1,0,0]=2 251 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.40 O=CN(C)CC1=CC=CC=C1 1P01KHTP [1,0,0,0,0,0|3,0,0]=4 253 B11R1.40 O=NN(Cc1ccccc1)C 1P01BJ40 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.40 OC(Cc1ccccc1)C#C 1P00DAP6 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.40 OC(Cc1ccccc1)C#N 1P006V4A [1,0,0,0,0,0|3,0,0]=4 256 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [1,0,0,0,0,0|2,0,0]=3 257 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [1,0,0,0,0,0|3,0,0]=4 258 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [1,0,0,0,0,0|3,0,0]=4 259 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [1,0,0,0,0,0|3,0,0]=4 260 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [1,0,0,0,0,0|3,0,0]=4 262 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [1,0,0,0,0,0|3,0,0]=4 264 B11R1.40 ONC(=N)Cc1ccccc1 1P002G98 [1,0,0,0,0,0|2,0,1]=4 265 B11R1.40 ONC(=O)Cc1ccccc1 1P00DAOE [1,0,0,0,0,0|2,0,1]=4 266 B13R1.21 CCC(C(c1ccc(cc1)Cl)N)C 1P019Q9U [0,1,0,0,0,0|2,0,0]=3 267 B13R1.21 CCC(C(c1ccc(cc1)Cl)O)N 1P01B774 [0,1,0,0,0,0|2,0,0]=3 268 B13R1.21 CNC(=O)C(c1ccc(cc1)C)N 1P028IPG [0,1,0,0,0,0|2,0,1]=4 269 B13R1.21 CNC(C(=O)c1ccc(cc1)Cl)C 1P01EPPF [0,1,0,0,0,0|0,0,2]=3 270 B13R1.21 CNC(C(=O)c1ccc(cc1)N)C 1P0282DK [0,1,0,0,0,0|0,0,2]=3 271 B13R1.21 CNC(C(=O)c1ccc(cn1)Br)C 1P02831X [0,1,0,0,0,0|1,0,2]=4 272 B13R1.21 CNC(C(=O)c1ccc(cn1)C)C 1P0285T1 [0,1,0,0,0,0|1,0,2]=4 273 B13R1.21 CNC(C(=O)c1ccc(nc1)C)C 1P0283V9 [0,1,0,0,0,0|1,0,2]=4 274 B13R1.21 CNC(C(c1ccc(cc1)Cl)C)C 1P019U3M [0,1,0,0,0,0|1,0,0]=2 275 B13R1.21 CN[C@H]([C@@H](c1ccc(cc1)F)O)C 1P00GB4X [0,1,0,0,0,0|0,0,0]=1 276 B13R1.21 COC(=O)C(c1ccc(cc1)Br)O 1P01DDIN [0,1,0,0,0,0|2,0,1]=4 277 B13R1.21 COC(=O)C(c1ccc(cc1)Cl)O 1P00VV2M [0,1,0,0,0,0|2,0,1]=4 278 B13R1.21 COC(=O)C(c1ccc(cc1)F)O 1P01BJTZ [0,1,0,0,0,0|2,0,1]=4 279 B13R1.21 COC(=O)C(c1ccc(cc1)N)O 1P024H63 [0,1,0,0,0,0|2,0,1]=4 280 B13R1.21 COC(=O)[C@@H](c1ccc(cc1)Br)O 1P01SW86 [0,1,0,0,0,0|2,0,1]=4 281 B13R1.21 COC(=O)[C@@H](c1ccc(cc1)Cl)O 1P02902A [0,1,0,0,0,0|2,0,1]=4 282 B13R1.21 COC(=O)[C@H](c1ccc(cc1)Br)O 1P028BQ8 [0,1,0,0,0,0|2,0,1]=4 283 B13R1.21 COC(=O)[C@H](c1ccc(cc1)Cl)O 1P0290AY [0,1,0,0,0,0|2,0,1]=4 284 B13R1.21 COC(=O)[C@H](c1ccc(cc1)F)O 1P028L1E [0,1,0,0,0,0|2,0,1]=4 285 B13R1.21 OC(C(C#N)C)c1ccc(cc1)Cl 1P01C2YV [0,1,0,0,0,0|2,0,0]=3 286 B13R1.21 OCC(C(c1ccc(cc1)Br)N)C 1P01BG2G [0,1,0,0,0,0|3,0,0]=4 287 B13R1.21 OCC(C(c1ccc(cc1)Cl)O)N 1P01BVPL [0,1,0,0,0,0|3,0,0]=4 288 B13R1.21 OC[C@@H]([C@H](c1ccc(cc1)N)O)N 1P00D8EG [0,1,0,0,0,0|3,0,0]=4 289 B13R1.22 CCC(C(c1cccc(c1)Br)C)N 1P01DVTP [0,1,0,0,0,0|3,0,0]=4 290 B13R1.22 COC(=O)C(c1cccc(c1)Br)O 1P01FC7C [0,1,0,0,0,0|2,0,1]=4 291 B13R1.22 COC(=O)C(c1cccc(c1)C)O 1P016KX8 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.22 COC(=O)C(c1cccc(c1)Cl)O 1P00HT71 [0,1,0,0,0,0|2,0,1]=4 293 B13R1.22 COC(=O)C(c1cccc(c1)F)O 1P01DYYQ [0,1,0,0,0,0|2,0,1]=4 294 B13R1.22 COC(=O)C(c1cccc(c1)I)O 1P028692 [0,1,0,0,0,0|2,0,1]=4 295 B13R1.22 COC(=O)C(c1cccc(c1)O)O 1P00H534 [0,1,0,0,0,0|2,0,1]=4 296 B13R1.22 COC(=O)[C@@H](c1cccc(c1)Br)O 1P0290RU [0,1,0,0,0,0|2,0,1]=4 297 B13R1.22 COC(=O)[C@H](c1cccc(c1)Br)O 1P028UQH [0,1,0,0,0,0|2,0,1]=4 298 B13R1.47 CCCC(C(c1ccccc1)O)N 1P01BGVD [0,1,0,0,0,0|2,0,0]=3 299 B13R1.47 CCNC(C(c1ccccc1)O)C 1P01ALKS [0,1,0,0,0,0|0,0,0]=1 300 B13R1.47 CCOC(=O)C(c1ccccc1)O 1P003BTM [0,1,0,0,0,0|2,0,1]=4 301 B13R1.47 CCOC(=O)[C@@H](c1ccccc1)O 1P003QGA [0,1,0,0,0,0|2,0,1]=4 302 B13R1.47 CCOC(=O)[C@H](c1ccccc1)O 1P003RNF [0,1,0,0,0,0|2,0,1]=4 303 B13R1.86 CCC(C(c1ccccc1)N)CC 1P00IC3C [0,1,0,0,0,0|2,0,0]=3 304 B13R1.86 COC(C(c1ccccc1)N)OC 1P01BI5Y [0,1,0,0,0,0|2,0,0]=3 305 B13R1.86 COC(C(c1cccnc1)N)OC 1P01ACLA [0,1,0,0,0,0|3,0,0]=4 306 B13R1.86 NCC(C(c1ccccc1)C)CO 1P01BHLZ [0,1,0,0,0,0|3,0,0]=4 307 B13R1.152 CC(C(=O)c1ccccc1)C(=O)C 1P00FAR0 [0,1,0,0,0,0|1,0,2]=4 308 B13R1.152 ClC(C(=O)N(C)C)c1ccccc1 1P00EJBV [0,1,0,0,0,0|2,0,1]=4 309 B13R1.152 NC(C(=O)N(C)C)c1ccccc1 1P00J2JT [0,1,0,0,0,0|2,0,1]=4 310 B13R1.152 NC(C(C(=O)O)C)c1ccccc1 1P019T7T [0,1,0,0,0,0|3,0,0]=4 311 B13R1.152 NC(c1ccccc1)C(C(C)C)O 1P01B6X0 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.152 N[C@H](C(=O)N(C)C)c1ccccc1 1P00AC3R [0,1,0,0,0,0|2,0,1]=4 313 B13R1.152 OC(C(=O)N(C)C)c1ccccc1 1P01FPBL [0,1,0,0,0,0|1,0,1]=3 314 B13R1.152 OC(C(C(=O)O)N)c1ccccc1 1P00VVQW [0,1,0,0,0,0|3,0,0]=4 315 B13R1.152 OC([C@@H](C(=O)O)N)c1ccccc1 1P002JMK [0,1,0,0,0,0|3,0,0]=4 316 B13R1.152 OC(c1ccccc1)C(C(C)C)N 1P01BGHU [0,1,0,0,0,0|2,0,0]=3 317 B13R1.152 OC(c1ccccc1)C(C(N)C)N 1P01BRYI [0,1,0,0,0,0|2,0,0]=3 318 B13R1.152 O[C@@H](C(=O)N(C)C)c1ccccc1 1P01K0VK [0,1,0,0,0,0|1,0,1]=3 319 B13R1.152 O[C@@H]([C@@H](C(=O)O)N)c1ccccc1 1P019E16 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.152 O[C@H](c1ccccc1)[C@H](C(C)C)N 1P002ISC [0,1,0,0,0,0|2,0,0]=3 321 B13R1.263 BrCC(C(c1ccccc1)O)(F)F 1P028WY2 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.263 CCC(C(c1ccccc1)N)(C)C 1P028KC4 [0,1,0,0,0,0|2,0,0]=3 323 B13R1.263 CNS(=O)(=O)C(c1ccccc1)C 1P01BC9J [0,1,0,0,0,0|3,0,0]=4 324 B13R1.263 CNS(=O)(=O)[C@@H](c1ccccc1)C 1P028540 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.263 COC(C(c1ccccc1)N)(C)C 1P027WOY [0,1,0,0,0,0|2,0,0]=3 326 B13R1.263 NCC(C(c1ccccc1)O)(F)F 1P0287ZV [0,1,0,0,0,0|3,0,0]=4 327 B13R1.263 OCC(C(c1ccccc1)N)(C)C 1P00B9IK [0,1,0,0,0,0|3,0,0]=4 328 B13R1.532 COC(c1ccccc1)C(=O)OC 1P007APY [0,1,0,0,0,0|2,0,1]=4 329 B13R1.532 OCC(c1ccccc1)C(=O)OC 1P00398C [0,1,0,0,0,0|2,0,1]=4 330 B13R1.696 CCC(C(c1ccccc1F)O)N 1P019T3A [0,1,0,0,0,0|2,0,0]=3 331 B13R1.696 CNC(=O)C(c1ccccc1C)N 1P028T6R [0,1,0,0,0,0|2,0,1]=4 332 B13R1.696 CNC(=O)C(c1ccccc1F)N 1P028SU6 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.696 COC(=O)C(c1ccccc1Br)O 1P0200Q6 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.696 COC(=O)C(c1ccccc1Cl)O 1P001P3X [0,1,0,0,0,0|2,0,1]=4 335 B13R1.696 COC(=O)C(c1ccccc1F)O 1P0200Q9 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.696 COC(=O)[C@@H](c1ccccc1Cl)O 1P00CL6R [0,1,0,0,0,0|2,0,1]=4 337 B13R1.696 COC(=O)[C@H](c1ccccc1Cl)O 1P00CAJ3 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.696 COC(=O)[C@H](c1ccccc1F)O 1P0281V4 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.708 CCC(C(c1ccccc1)(C)C)N 1P01AL2K [0,1,0,0,0,0|3,0,0]=4 340 B13R1.708 CCC(C(c1ccccc1)(C)C)O 1P01AKNV [0,1,0,0,0,0|3,0,0]=4 341 B13R1.708 CNC(=O)C(c1ccccc1)(C)C 1P01EM2D [0,1,0,0,0,0|2,0,1]=4 342 B13R1.708 COC(=O)C(c1ccccc1)(O)C 1P00CBKI [0,1,0,0,0,0|2,0,1]=4 343 B13R2.15 CC1CCNC1c2ccccc2 1P00DKMF [0,0,0,1,0,0|2,0,0]=3 344 B13R2.15 CC1NCCC1c2ccccc2 1P019Z72 [0,0,0,1,0,0|1,0,0]=2 345 B13R2.15 N=C1NCCC1c2ccccc2 1P028RW1 [0,0,0,1,0,0|2,0,1]=4 346 B13R2.15 NC1CCCC1c2ccccc2 1P00DIJB [0,0,0,1,0,0|3,0,0]=4 347 B13R2.15 NC1CCCC1c2ccccc2 1P00FHC3 [0,0,0,1,0,0|3,0,0]=4 348 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 1P01C0RM [0,0,0,1,0,0|3,0,0]=4 349 B13R2.15 N[C@@H]1CCO[C@H]1c2ccccc2 1P01BZ2R [0,0,0,1,0,0|2,0,0]=3 350 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P00748U [0,0,0,1,0,0|3,0,0]=4 351 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P028LSU [0,0,0,1,0,0|3,0,0]=4 352 B13R2.15 O=C1NCCC1c2ccccc2 1P0064IE [0,0,0,1,0,0|2,0,1]=4 353 B13R2.15 OC1CCCC1c2ccccc2 1P01AIU1 [0,0,0,1,0,0|3,0,0]=4 354 B13R2.15 O[C@@H]1CCN[C@@H]1c2ccccc2 1P028ROY [0,0,0,1,0,0|3,0,0]=4 355 B13R2.15 O[C@H]1CCC[C@@H]1c2ccccc2 1P028OP4 [0,0,0,1,0,0|3,0,0]=4 356 B13R2.32 Br[C@@H]1CCc2c([C@@H]1O)cccc2 1P00BYNI [0,0,0,1,0,0|2,0,0]=3 357 B13R2.32 Br[C@H]1COc2c([C@@H]1O)cccc2 1P01BGHM [0,0,0,1,0,0|3,0,0]=4 358 B13R2.32 CC1CCc2c(C1=O)cccc2 1P001RJZ [0,0,0,1,0,0|1,0,2]=4 359 B13R2.32 CC1CCc2c(C1N)cccc2 1P01A3VO [0,0,0,1,0,0|2,0,0]=3 360 B13R2.32 CC1CCc2c(C1N)cccc2 1P01A5IW [0,0,0,1,0,0|2,0,0]=3 361 B13R2.32 CC1CCc2c(N1C)cccc2 1P01XFNX [0,0,0,1,0,0|3,0,0]=4 362 B13R2.32 CC1COc2c(C1N)cccc2 1P01A6N4 [0,0,0,1,0,0|3,0,0]=4 363 B13R2.32 CC1COc2c(C1O)cccc2 1P01A6EY [0,0,0,1,0,0|2,0,0]=3 364 B13R2.32 CN1CCc2c(C1C)cccc2 1P00B52U [0,0,0,1,0,0|3,0,0]=4 365 B13R2.32 FC1CCc2c(C1N)cccc2 1P01BIER [0,0,0,1,0,0|3,0,0]=4 366 B13R2.32 FC1CCc2c(C1O)cccc2 1P01BIUC [0,0,0,1,0,0|2,0,0]=3 367 B13R2.32 NC1COc2c(C1O)cccc2 1P01BCBW [0,0,0,1,0,0|3,0,0]=4 368 B13R2.32 NC1COc2c(C1O)cccc2 1P01BCBX [0,0,0,1,0,0|3,0,0]=4 369 B13R2.32 N[C@@H]1COc2c([C@H]1O)cccc2 1P02892F [0,0,0,1,0,0|3,0,0]=4 370 B13R2.32 O=C1NCc2c(C1N)cccc2 1P001RDS [0,0,0,1,0,0|2,0,1]=4 371 B13R2.32 O[C@@H]1CCc2c([C@@H]1N)cccc2 1P00G6UH [0,0,0,1,0,0|3,0,0]=4 372 B13R2.32 O[C@@H]1CCc2c([C@H]1N)cccc2 1P0011QO [0,0,0,1,0,0|3,0,0]=4 373 B13R2.45 CCC1Cc2c(C1=O)cccc2 1P003HNG [0,0,0,1,0,0|1,0,2]=4 374 B13R2.45 CNC1Cc2c(C1C)cccc2 1P028EVF [0,0,0,1,0,0|1,0,0]=2 375 B13R2.45 CN[C@@H]1Cc2c([C@H]1O)cccc2 1P002OJQ [0,0,0,1,0,0|0,0,0]=1 376 B13R2.45 CO[C@@H]1Cc2c([C@H]1N)cccc2 1P028D4E [0,0,0,1,0,0|2,0,0]=3 377 B13R2.45 OC[C@@H]1Cc2c([C@@H]1N)cccc2 1P00DAIJ [0,0,0,1,0,0|3,0,0]=4 378 B13R2.56 NCC1CCC1c2ccccc2 1P028KYT [0,0,0,1,0,0|3,0,0]=4 379 B13R2.56 OCC1CCC1c2ccccc2 1P028HTF [0,0,0,1,0,0|3,0,0]=4 380 B13R2.98 CC[C@@]1(O)C[C@H]1c2ccccc2 1P028M6I [0,0,0,1,0,0|3,0,0]=4 381 B13R2.98 NC[C@]1(C)C[C@H]1c2ccccc2 1P01AMMR [0,0,0,1,0,0|3,0,0]=4 382 B13R2.98 O=C[C@@]1(C)C[C@@H]1c2ccccc2 1P01C36C [0,0,0,1,0,0|3,0,0]=4 383 B13R2.373 CC1C(=O)CC1c2ccccc2 1P01A1L5 [0,0,0,1,0,0|3,0,0]=4 384 B13R2.373 CC1C(=O)NC1c2ccccc2 1P019SXI [0,0,0,1,0,0|3,0,0]=4 385 B13R2.373 CC1C(N)CC1c2ccccc2 1P01A0WZ [0,0,0,1,0,0|3,0,0]=4 386 B13R2.382 NC(c1ccccc1)C2CC2C 1P01AJ60 [0,0,0,1,0,0|2,0,0]=3 387 B13R2.413 NC1CCC1(C)c2ccccc2 1P02833N [0,0,0,1,0,0|3,0,0]=4 388 B13R2.3085 Cn1c2ccccc2c(c1C)Br 1P0057EC [0,0,0,1,0,0|1,0,2]=4 389 B13R2.3085 O=C1C(Cl)c2c(N1C)cccc2 1P0287RM [0,0,0,1,0,0|2,0,1]=4 390 B13R2.3085 O=C1C(N)c2c(N1C)cccc2 1P001WE7 [0,0,0,1,0,0|2,0,1]=4 391 B13R2.3085 O=C1c2ccccc2C(N1C)O 1P00BK97 [0,0,0,1,0,0|3,0,0]=4 392 B13R2.8137 CC(c1ccccc1)C2CNC2 1P028X1L [0,0,0,1,0,0|3,0,0]=4 393 B13R2.8137 NC(c1ccccc1)C2CCC2 1P00DLLS [0,0,0,1,0,0|2,0,0]=3 394 B13R2.8137 NC(c1ccccc1)C2CCC2 1P00IATY [0,0,0,1,0,0|2,0,0]=3 395 B13R2.8137 NC(c1ccccc1)C2COC2 1P01WUU6 [0,0,0,1,0,0|3,0,0]=4 396 B13R2.8137 N[C@@H](c1ccccc1)C2CCC2 1P00I40A [0,0,0,1,0,0|2,0,0]=3 397 B13R2.8137 N[C@@H](c1ccccc1)C2COC2 1P01XA9H [0,0,0,1,0,0|3,0,0]=4 398 B13R2.8137 N[C@@H](c1cccnc1)C2CCC2 1P028OI3 [0,0,0,1,0,0|3,0,0]=4 399 B13R2.8137 N[C@H](c1ccccc1)C2CCC2 1P0095XV [0,0,0,1,0,0|2,0,0]=3 400 B13R2.8137 N[C@H](c1ccccc1)C2COC2 1P01Z9OK [0,0,0,1,0,0|3,0,0]=4 401 B13R2.8137 O=C(c1ccccc1)C2CCC2 1P003PKH [0,0,0,1,0,0|1,0,2]=4 402 B13R2.8137 OC(c1ccccc1)C2CNC2 1P027NBU [0,0,0,1,0,0|2,0,0]=3 403 B13R2.8138 CC(C1(N)CC1)c2ccccc2 1P028JZI [0,0,0,1,0,0|3,0,0]=4 404 B13R2.8138 NC(C1(O)CC1)c2ccccc2 1P00A20N [0,0,0,1,0,0|3,0,0]=4 405 B13R2.8138 OC(C1(N)CC1)c2ccccc2 1P00FJYP [0,0,0,1,0,0|2,0,0]=3 406 B13R2.15272 CNC(C1Cc2c1cccc2)C 1P01B7MQ [0,0,0,1,0,0|1,0,0]=2 407 B11R1.31 CNC(C(=O)c1cocc1)C 1P028S87 [0,0,0,0,1,0|1,0,2]=4 408 B13R1.11 CNC(=O)CC(c1ccccc1)N 1P027UEL [0,0,0,0,0,1|2,0,1]=4 409 B13R1.11 NNC(=O)CC(c1ccccc1)O 1P027XQR [0,0,0,0,0,1|2,0,1]=4 410 B13R1.11 OCC(CC(c1ccccc1)O)N 1P01A2RK [0,0,0,0,0,1|3,0,0]=4 411 B13R1.135 CNC(=O)C(Cc1ccccc1)N 1P00A2VS [0,0,0,0,0,1|2,0,1]=4 412 B13R1.135 CNC(=O)[C@@H](Cc1ccccc1)N 1P00HXOX [0,0,0,0,0,1|2,0,1]=4 413 B13R1.135 CNC(=O)[C@@H](Cc1ccccc1)N 1P01JLY2 [0,0,0,0,0,1|2,0,1]=4 414 B13R1.135 CNC(=O)[C@H](Cc1ccccc1)N 1P003CX3 [0,0,0,0,0,1|2,0,1]=4 415 B13R1.135 COC(=O)C(Cc1ccccc1)O 1P0038LD [0,0,0,0,0,1|2,0,1]=4 416 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)O 1P00BG1Y [0,0,0,0,0,1|2,0,1]=4 417 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O 1P0038RE [0,0,0,0,0,1|2,0,1]=4 418 B13R1.135 NNC(=O)C(Cc1ccccc1)O 1P027VBN [0,0,0,0,0,1|2,0,1]=4 419 B13R1.135 NNC(=O)[C@@H](Cc1ccccc1)O 1P027UH8 [0,0,0,0,0,1|2,0,1]=4 420 B13R1.135 NNC(=O)[C@H](Cc1ccccc1)O 1P027UJI [0,0,0,0,0,1|2,0,1]=4 421 B10R1.15 *CC(c1ccccc1)* 1P0035YN [2,0,0,0,0,0|2,0,0]=4 422 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [2,0,0,0,0,0|2,0,0]=4 423 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [2,0,0,0,0,0|2,0,0]=4 424 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [2,0,0,0,0,0|2,0,0]=4 425 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [2,0,0,0,0,0|1,0,0]=3 426 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [2,0,0,0,0,0|2,0,0]=4 427 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [2,0,0,0,0,0|2,0,0]=4 428 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [2,0,0,0,0,0|0,0,2]=4 429 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [2,0,0,0,0,0|1,0,1]=4 430 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [2,0,0,0,0,0|0,0,2]=4 431 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [2,0,0,0,0,0|1,0,0]=3 432 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [2,0,0,0,0,0|1,0,0]=3 433 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [2,0,0,0,0,0|1,0,0]=3 434 B10R1.15 CCC(c1ccccc1)N 1P003F3H [2,0,0,0,0,0|1,0,0]=3 435 B10R1.15 CCC(c1ccccc1)S 1P01A000 [2,0,0,0,0,0|0,1,0]=3 436 B10R1.15 CCC(c1ccccn1)N 1P0001KW [2,0,0,0,0,0|2,0,0]=4 437 B10R1.15 CCC(c1ccccn1)N 1P00J25M [2,0,0,0,0,0|2,0,0]=4 438 B10R1.15 CCC(c1cccnc1)N 1P000K5S [2,0,0,0,0,0|2,0,0]=4 439 B10R1.15 CCC(c1cccnc1)N 1P003DEE [2,0,0,0,0,0|2,0,0]=4 440 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [2,0,0,0,0,0|2,0,0]=4 441 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [2,0,0,0,0,0|2,0,0]=4 442 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [2,0,0,0,0,0|1,0,0]=3 443 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [2,0,0,0,0,0|0,0,0]=2 444 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [2,0,0,0,0,0|2,0,0]=4 445 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [2,0,0,0,0,0|2,0,0]=4 446 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [2,0,0,0,0,0|1,0,0]=3 447 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [2,0,0,0,0,0|0,0,0]=2 448 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [2,0,0,0,0,0|2,0,0]=4 449 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.15 CNC(=N)c1ccccc1 1P01BBOA [2,0,0,0,0,0|1,0,1]=4 452 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [2,0,0,0,0,0|0,0,2]=4 453 B10R1.15 CNC(=S)c1ccccc1 1P00E16P [2,0,0,0,0,0|0,1,1]=4 454 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [2,0,0,0,0,0|1,0,0]=3 455 B10R1.15 CNC(c1ccccc1)C 1P00C63A [2,0,0,0,0,0|1,0,0]=3 456 B10R1.15 CNC(c1ccccn1)C 1P008W2I [2,0,0,0,0,0|2,0,0]=4 457 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [2,0,0,0,0,0|2,0,0]=4 458 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [2,0,0,0,0,0|2,0,0]=4 459 B10R1.15 CNC(c1cccnc1)C 1P008VWL [2,0,0,0,0,0|2,0,0]=4 460 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [2,0,0,0,0,0|2,0,0]=4 461 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [2,0,0,0,0,0|2,0,0]=4 462 B10R1.15 CNC(c1ccncc1)C 1P001RII [2,0,0,0,0,0|2,0,0]=4 463 B10R1.15 CNC(c1ccncc1)C 1P00J3HT [2,0,0,0,0,0|2,0,0]=4 464 B10R1.15 CNC(c1ccncc1)C 1P00J3UG [2,0,0,0,0,0|2,0,0]=4 465 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [2,0,0,0,0,0|1,0,0]=3 466 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [2,0,0,0,0,0|1,0,0]=3 467 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [2,0,0,0,0,0|2,0,0]=4 468 B10R1.15 CN[C@@H](c1ccncc1)C 1P0281L9 [2,0,0,0,0,0|2,0,0]=4 469 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [2,0,0,0,0,0|1,0,0]=3 470 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [2,0,0,0,0,0|1,0,0]=3 471 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [2,0,0,0,0,0|2,0,0]=4 472 B10R1.15 CN[C@H](c1ccncc1)C 1P01FKUZ [2,0,0,0,0,0|2,0,0]=4 473 B10R1.15 CN[C@H](c1ccncc1)C 1P024UA1 [2,0,0,0,0,0|2,0,0]=4 474 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [2,0,0,0,0,0|2,0,0]=4 475 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [2,0,0,0,0,0|1,0,0]=3 476 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [2,0,0,0,0,0|1,0,0]=3 477 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [2,0,0,0,0,0|2,0,0]=4 478 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [2,0,0,0,0,0|2,0,0]=4 479 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [2,0,0,0,0,0|1,0,0]=3 480 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [2,0,0,0,0,0|2,0,0]=4 481 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [2,0,0,0,0,0|1,0,0]=3 482 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [2,0,0,0,0,0|2,0,0]=4 483 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [2,0,0,0,0,0|1,0,0]=3 484 B10R1.15 NCC(=C)c1ccccc1 1P019VHO [2,0,0,0,0,0|1,0,1]=4 485 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [2,0,0,0,0,0|0,0,2]=4 486 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [2,0,0,0,0,0|0,0,2]=4 487 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [2,0,0,0,0,0|1,0,0]=3 488 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [2,0,0,0,0,0|1,0,0]=3 489 B10R1.15 NCC(c1ccccc1)N 1P001X54 [2,0,0,0,0,0|1,0,0]=3 490 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [2,0,0,0,0,0|1,0,0]=3 491 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [2,0,0,0,0,0|0,0,0]=2 492 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [2,0,0,0,0,0|1,0,0]=3 493 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [2,0,0,0,0,0|1,0,0]=3 494 B10R1.15 NCC(c1ccccn1)O 1P019LWP [2,0,0,0,0,0|1,0,0]=3 495 B10R1.15 NCC(c1cccnc1)O 1P006JYO [2,0,0,0,0,0|1,0,0]=3 496 B10R1.15 NCC(c1cccnc1)O 1P009SDI [2,0,0,0,0,0|1,0,0]=3 497 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [2,0,0,0,0,0|1,0,0]=3 498 B10R1.15 NCC(c1ccncc1)C 1P019ULY [2,0,0,0,0,0|2,0,0]=4 499 B10R1.15 NCC(c1ccncc1)C 1P028YSF [2,0,0,0,0,0|2,0,0]=4 500 B10R1.15 NCC(c1ccncc1)O 1P00IGKE [2,0,0,0,0,0|1,0,0]=3 501 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [2,0,0,0,0,0|1,0,0]=3 502 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [2,0,0,0,0,0|1,0,0]=3 503 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [2,0,0,0,0,0|0,0,0]=2 504 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [2,0,0,0,0,0|0,0,0]=2 505 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [2,0,0,0,0,0|1,0,0]=3 506 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [2,0,0,0,0,0|1,0,0]=3 507 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [2,0,0,0,0,0|1,0,0]=3 508 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [2,0,0,0,0,0|0,0,0]=2 509 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [2,0,0,0,0,0|1,0,0]=3 510 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [2,0,0,0,0,0|2,0,0]=4 511 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [2,0,0,0,0,0|2,0,0]=4 512 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [2,0,0,0,0,0|2,0,0]=4 513 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [2,0,0,0,0,0|2,0,0]=4 514 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [2,0,0,0,0,0|2,0,0]=4 515 B10R1.15 OC(c1ccccc1)C#C 1P003F2P [2,0,0,0,0,0|0,0,2]=4 516 B10R1.15 OC(c1ccccc1)C#N 1P0035L5 [2,0,0,0,0,0|0,0,2]=4 517 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [2,0,0,0,0,0|2,0,0]=4 518 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [2,0,0,0,0,0|2,0,0]=4 519 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [2,0,0,0,0,0|1,0,0]=3 520 B10R1.15 OCC(c1ccccn1)O 1P0285SM [2,0,0,0,0,0|2,0,0]=4 521 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [2,0,0,0,0,0|2,0,0]=4 522 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [2,0,0,0,0,0|2,0,0]=4 523 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [2,0,0,0,0,0|2,0,0]=4 524 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [2,0,0,0,0,0|1,0,0]=3 525 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [2,0,0,0,0,0|2,0,0]=4 526 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [2,0,0,0,0,0|2,0,0]=4 527 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [2,0,0,0,0,0|2,0,0]=4 528 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [2,0,0,0,0,0|1,0,0]=3 529 B10R1.15 ONC(c1ccccc1)C 1P002XUP [2,0,0,0,0,0|2,0,0]=4 530 B10R1.15 O[C@@H](c1ccccc1)C#C 1P003COU [2,0,0,0,0,0|0,0,2]=4 531 B10R1.15 O[C@H](c1ccccc1)C#C 1P003D0N [2,0,0,0,0,0|0,0,2]=4 532 B10R1.15 O[C@H](c1ccccc1)C#N 1P0001PU [2,0,0,0,0,0|0,0,2]=4 533 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [2,0,0,0,0,0|2,0,0]=4 534 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [2,0,0,0,0,0|1,0,1]=4 535 B10R1.17 BrCCCc1ccccc1 1P003EL3 [2,0,0,0,0,0|2,0,0]=4 536 B10R1.17 C=CCCc1ccccc1 1P003MFS [2,0,0,0,0,0|1,0,1]=4 537 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [2,0,0,0,0,0|2,0,0]=4 538 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [2,0,0,0,0,0|2,0,0]=4 539 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [2,0,0,0,0,0|2,0,0]=4 540 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [2,0,0,0,0,0|2,0,0]=4 541 B10R1.17 CCCC[n+]1ccccc1 1P007726 [2,0,0,0,0,0|2,0,0]=4 542 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [2,0,0,0,0,0|2,0,0]=4 543 B10R1.17 CCCCc1ccccc1 1P003P2W [2,0,0,0,0,0|1,0,0]=3 544 B10R1.17 CCCCc1ccccn1 1P01FFM0 [2,0,0,0,0,0|2,0,0]=4 545 B10R1.17 CCCCc1cccnc1 1P00343V [2,0,0,0,0,0|2,0,0]=4 546 B10R1.17 CCCCc1ccncc1 1P00I9ZL [2,0,0,0,0,0|2,0,0]=4 547 B10R1.17 CCCNc1ccccc1 1P003TSL [2,0,0,0,0,0|2,0,0]=4 548 B10R1.17 CCCOc1ccccc1 1P00E98Z [2,0,0,0,0,0|2,0,0]=4 549 B10R1.17 CCNCc1ccccc1 1P003TGS [2,0,0,0,0,0|2,0,0]=4 550 B10R1.17 CNCCc1ccccc1 1P003TP4 [2,0,0,0,0,0|0,0,0]=2 551 B10R1.17 CNCCc1ccccc1 1P00CJS7 [2,0,0,0,0,0|0,0,0]=2 552 B10R1.17 CNCCc1ccccn1 1P003OMV [2,0,0,0,0,0|1,0,0]=3 553 B10R1.17 CNCCc1ccccn1 1P003TMX [2,0,0,0,0,0|1,0,0]=3 554 B10R1.17 CNCCc1ccccn1 1P00IAF0 [2,0,0,0,0,0|1,0,0]=3 555 B10R1.17 CNCCc1cccnc1 1P00025V [2,0,0,0,0,0|1,0,0]=3 556 B10R1.17 CNCCc1cccnc1 1P0039D0 [2,0,0,0,0,0|1,0,0]=3 557 B10R1.17 CNCCc1ccncc1 1P0004J6 [2,0,0,0,0,0|1,0,0]=3 558 B10R1.17 CNCCc1ccncc1 1P00D8ZU [2,0,0,0,0,0|1,0,0]=3 559 B10R1.17 CNCCc1cnccn1 1P01A4OO [2,0,0,0,0,0|2,0,0]=4 560 B10R1.17 CNCCc1ncccn1 1P01FKV1 [2,0,0,0,0,0|2,0,0]=4 561 B10R1.17 CNNCc1ccccc1 1P007YMP [2,0,0,0,0,0|1,0,0]=3 562 B10R1.17 CNNCc1ccccc1 1P01EKFO [2,0,0,0,0,0|1,0,0]=3 563 B10R1.17 CNNCc1cccnc1 1P00IGF8 [2,0,0,0,0,0|2,0,0]=4 564 B10R1.17 CNOCc1ccccc1 1P005PAZ [2,0,0,0,0,0|1,0,0]=3 565 B10R1.17 CNOCc1ccccc1 1P01A29U [2,0,0,0,0,0|1,0,0]=3 566 B10R1.17 COCCc1ccccc1 1P003C4E [2,0,0,0,0,0|1,0,0]=3 567 B10R1.17 COCSc1ccccc1 1P0019FA [2,0,0,0,0,0|2,0,0]=4 568 B10R1.17 CONCc1ccccc1 1P006Y6C [2,0,0,0,0,0|2,0,0]=4 569 B10R1.17 CONCc1ccccc1 1P01A5XA [2,0,0,0,0,0|2,0,0]=4 570 B10R1.17 ClCCCc1ccccc1 1P003BI4 [2,0,0,0,0,0|2,0,0]=4 571 B10R1.17 ICCCc1ccccc1 1P003EWA [2,0,0,0,0,0|2,0,0]=4 572 B10R1.17 N#CCCc1ccccc1 1P003KCJ [2,0,0,0,0,0|2,0,0]=4 573 B10R1.17 NCCCc1ccccc1 1P0029L7 [2,0,0,0,0,0|2,0,0]=4 574 B10R1.17 NNCCc1ccccc1 1P001OVR [2,0,0,0,0,0|1,0,0]=3 575 B10R1.17 NNCCc1ccccc1 1P00B63Y [2,0,0,0,0,0|1,0,0]=3 576 B10R1.17 NNCCc1ccccc1 1P00DB0J [2,0,0,0,0,0|1,0,0]=3 577 B10R1.17 NNCCc1ccccc1 1P00I9LM [2,0,0,0,0,0|1,0,0]=3 578 B10R1.17 NNCCc1ccccn1 1P006VW3 [2,0,0,0,0,0|2,0,0]=4 579 B10R1.17 NNCCc1ccccn1 1P01A12H [2,0,0,0,0,0|2,0,0]=4 580 B10R1.17 NNCCc1ccncc1 1P01BA79 [2,0,0,0,0,0|2,0,0]=4 581 B10R1.17 NOCCc1ccccc1 1P0071ZN [2,0,0,0,0,0|2,0,0]=4 582 B10R1.17 O=CCCc1ccccc1 1P003RFA [2,0,0,0,0,0|2,0,0]=4 583 B10R1.17 OCCCc1ccccc1 1P00170B [2,0,0,0,0,0|2,0,0]=4 584 B10R1.17 ONCCc1ccccc1 1P00CZ3B [2,0,0,0,0,0|1,0,0]=3 585 B10R1.17 SCCCc1ccccc1 1P002PQQ [2,0,0,0,0,0|2,0,0]=4 586 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [2,0,0,0,0,0|0,0,2]=4 587 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [2,0,0,0,0,0|0,0,2]=4 588 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [2,0,0,0,0,0|0,0,2]=4 589 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [2,0,0,0,0,0|1,0,0]=3 590 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [2,0,0,0,0,0|0,0,0]=2 591 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [2,0,0,0,0,0|1,0,0]=3 592 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [2,0,0,0,0,0|1,0,0]=3 593 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [2,0,0,0,0,0|1,0,0]=3 594 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [2,0,0,0,0,0|2,0,0]=4 595 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [2,0,0,0,0,0|1,0,0]=3 596 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [2,0,0,0,0,0|1,0,0]=3 597 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [2,0,0,0,0,0|2,0,0]=4 598 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [2,0,0,0,0,0|2,0,0]=4 599 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [2,0,0,0,0,0|1,0,0]=3 600 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [2,0,0,0,0,0|2,0,0]=4 601 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [2,0,0,0,0,0|2,0,0]=4 602 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [2,0,0,0,0,0|1,0,0]=3 603 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [2,0,0,0,0,0|2,0,0]=4 604 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [2,0,0,0,0,0|2,0,0]=4 605 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [2,0,0,0,0,0|1,0,0]=3 606 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [2,0,0,0,0,0|2,0,0]=4 607 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.18 CC(Oc1ccncc1)C 1P00DC8D [2,0,0,0,0,0|2,0,0]=4 609 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [2,0,0,0,0,0|1,0,1]=4 610 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [2,0,0,0,0,0|1,0,0]=3 611 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [2,0,0,0,0,0|2,0,0]=4 612 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [2,0,0,0,0,0|2,0,0]=4 613 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [2,0,0,0,0,0|2,0,0]=4 614 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [2,0,0,0,0,0|2,0,0]=4 615 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [2,0,0,0,0,0|1,0,0]=3 616 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [2,0,0,0,0,0|1,0,0]=3 617 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [2,0,0,0,0,0|1,0,0]=3 618 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [2,0,0,0,0,0|0,1,0]=3 619 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [2,0,0,0,0,0|1,0,1]=4 620 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [2,0,0,0,0,0|1,0,1]=4 621 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [2,0,0,0,0,0|1,0,1]=4 622 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [2,0,0,0,0,0|2,0,0]=4 623 B12R1.3 C=CCC(c1ccccc1)CO 1P01B37G [1,1,0,0,0,0|1,0,1]=4 624 B12R1.3 CCCC(c1ccccc1)C=O 1P01A4J2 [1,1,0,0,0,0|1,0,1]=4 625 B12R1.3 OCC(c1ccccc1)NCC 1P01AYUQ [1,1,0,0,0,0|2,0,0]=4 626 B12R1.16 C=CCC(c1ccc(cc1)Br)O 1P01BUXR [1,1,0,0,0,0|1,0,1]=4 627 B12R1.16 C=CCC(c1ccc(cc1)Cl)O 1P001KZS [1,1,0,0,0,0|1,0,1]=4 628 B12R1.16 CCCC(c1ccc(cc1)Br)O 1P00C2KD [1,1,0,0,0,0|1,0,0]=3 629 B12R1.16 CCCC(c1ccc(cc1)Cl)N 1P01A0F3 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.16 CCCC(c1ccc(cc1)F)N 1P00AST0 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.16 CCCC(c1ccc(cc1)O)N 1P023J1G [1,1,0,0,0,0|2,0,0]=4 632 B12R1.16 CCCC(c1ccc(cc1)O)N 1P028OOT [1,1,0,0,0,0|2,0,0]=4 633 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00A08O [1,1,0,0,0,0|2,0,0]=4 634 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00I79Y [1,1,0,0,0,0|2,0,0]=4 635 B12R1.16 CCC[C@@H](c1ccc(cc1)F)N 1P000WWN [1,1,0,0,0,0|2,0,0]=4 636 B12R1.16 CCC[C@H](c1ccc(cc1)C)N 1P00GAQD [1,1,0,0,0,0|2,0,0]=4 637 B12R1.16 CCC[C@H](c1ccc(cc1)F)N 1P00A064 [1,1,0,0,0,0|2,0,0]=4 638 B12R1.16 CNCC(=O)c1ccc(cc1)O 1P00BFSJ [1,1,0,0,0,0|0,0,2]=4 639 B12R1.16 CNCC(c1ccc(cc1)Br)O 1P01C2YN [1,1,0,0,0,0|0,0,0]=2 640 B12R1.16 CNCC(c1ccc(cc1)Cl)O 1P00VT0L [1,1,0,0,0,0|0,0,0]=2 641 B12R1.16 CNCC(c1ccc(cc1)F)O 1P00DJHD [1,1,0,0,0,0|0,0,0]=2 642 B12R1.16 CNCC(c1ccc(cc1)F)O 1P01ABEV [1,1,0,0,0,0|0,0,0]=2 643 B12R1.16 CNCC(c1ccc(cc1)O)O 1P001WVF [1,1,0,0,0,0|0,0,0]=2 644 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IB2Z [1,1,0,0,0,0|0,0,0]=2 645 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IN24 [1,1,0,0,0,0|0,0,0]=2 646 B12R1.16 COCC(c1ccc(cc1)Cl)N 1P01BFX0 [1,1,0,0,0,0|2,0,0]=4 647 B12R1.16 COCC(c1ccc(cc1)Cl)N 1P01KLI6 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.16 COCC(c1ccc(cc1)F)N 1P019TJL [1,1,0,0,0,0|2,0,0]=4 649 B12R1.16 COCC(c1ccc(cc1)F)N 1P01AEWK [1,1,0,0,0,0|2,0,0]=4 650 B12R1.16 COC[C@H](c1ccc(cc1)Br)N 1P024S9F [1,1,0,0,0,0|2,0,0]=4 651 B12R1.16 COC[C@H](c1ccc(cc1)F)N 1P01KKLH [1,1,0,0,0,0|2,0,0]=4 652 B12R1.16 OC(c1ccc(cc1)Br)CC#N 1P0288YK [1,1,0,0,0,0|2,0,0]=4 653 B12R1.16 OC(c1ccc(cc1)F)CC#N 1P024VNV [1,1,0,0,0,0|2,0,0]=4 654 B12R1.16 OCCC(c1ccc(cc1)Br)O 1P01JMSI [1,1,0,0,0,0|2,0,0]=4 655 B12R1.17 CCCC(c1cccc(c1)F)N 1P00ASSL [1,1,0,0,0,0|2,0,0]=4 656 B12R1.17 CNCC(c1cccc(c1)Br)O 1P01ALNQ [1,1,0,0,0,0|0,0,0]=2 657 B12R1.17 CNCC(c1cccc(c1)C)O 1P01BNXW [1,1,0,0,0,0|0,0,0]=2 658 B12R1.17 CNCC(c1cccc(c1)O)O 1P003QB4 [1,1,0,0,0,0|0,0,0]=2 659 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P003U6B [1,1,0,0,0,0|0,0,0]=2 660 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P00IB8X [1,1,0,0,0,0|0,0,0]=2 661 B12R1.17 COCC(c1cccc(c1)Br)N 1P01BSPB [1,1,0,0,0,0|2,0,0]=4 662 B12R1.17 COCC(c1cccc(c1)Cl)N 1P01BCBA [1,1,0,0,0,0|2,0,0]=4 663 B12R1.17 COCC(c1cccc(c1)N)O 1P01A996 [1,1,0,0,0,0|1,0,0]=3 664 B12R1.17 COC[C@H](c1cccc(c1)Cl)N 1P01KLPI [1,1,0,0,0,0|2,0,0]=4 665 B12R1.17 COC[C@H](c1cccc(c1)F)N 1P01KKYG [1,1,0,0,0,0|2,0,0]=4 666 B12R1.17 N#CCC(c1cccc(c1)Cl)O 1P0287Z9 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.17 OCCC(c1cccc(c1)Cl)O 1P0037LE [1,1,0,0,0,0|2,0,0]=4 668 B12R1.17 OCC[C@@H](c1cccc(c1)Cl)O 1P00ELIZ [1,1,0,0,0,0|2,0,0]=4 669 B12R1.30 CCCCC(c1ccccc1)O 1P003R1N [1,1,0,0,0,0|1,0,0]=3 670 B12R1.30 CCCC[C@@H](c1ccccc1)N 1P01A60F [1,1,0,0,0,0|2,0,0]=4 671 B12R1.30 CCCC[C@@H](c1ccccc1)O 1P00CM66 [1,1,0,0,0,0|1,0,0]=3 672 B12R1.30 CCCC[C@H](c1ccccc1)N 1P01A60H [1,1,0,0,0,0|2,0,0]=4 673 B12R1.30 CCCNC(c1ccccc1)C 1P00BBYH [1,1,0,0,0,0|2,0,0]=4 674 B12R1.30 CCNCC(c1ccccc1)N 1P01A2CQ [1,1,0,0,0,0|1,0,0]=3 675 B12R1.30 CCOCC(c1ccccc1)N 1P01WZT9 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.30 CNCCC(=O)c1ccccc1 1P00I5B3 [1,1,0,0,0,0|0,0,2]=4 677 B12R1.30 CNCCC(c1ccccc1)O 1P00346T [1,1,0,0,0,0|0,0,0]=2 678 B12R1.30 CNCCN(c1ccccc1)C 1P01AH3S [1,1,0,0,0,0|2,0,0]=4 679 B12R1.30 CNCCN(c1ccccc1)C 1P028RXS [1,1,0,0,0,0|2,0,0]=4 680 B12R1.30 CNCC[C@@H](c1ccccc1)O 1P000B3I [1,1,0,0,0,0|0,0,0]=2 681 B12R1.30 CNCC[C@H](c1ccccc1)O 1P000H17 [1,1,0,0,0,0|0,0,0]=2 682 B12R1.30 COCCC(c1ccccc1)Cl 1P00DQG1 [1,1,0,0,0,0|2,0,0]=4 683 B12R1.30 COCCC(c1ccccc1)O 1P01A2S9 [1,1,0,0,0,0|1,0,0]=3 684 B12R1.30 COCC[C@H](c1ccccc1)N 1P028QNB [1,1,0,0,0,0|2,0,0]=4 685 B12R1.30 NCCCC(c1ccccc1)C 1P024SFP [1,1,0,0,0,0|2,0,0]=4 686 B12R1.30 NCCCC(c1ccccc1)N 1P027XAJ [1,1,0,0,0,0|2,0,0]=4 687 B12R1.30 OC(c1ccccc1)CCC#C 1P01DZO5 [1,1,0,0,0,0|1,0,1]=4 688 B12R1.30 OC(c1ccccc1)CN=[N+]=[N-] 1P01B9LH [1,1,0,0,0,0|1,0,1]=4 689 B12R1.30 OCCCC(c1ccccc1)N 1P00CNE3 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.30 OCCCC(c1ccccc1)O 1P01I7XA [1,1,0,0,0,0|1,0,0]=3 691 B12R1.30 OCCC[C@@H](c1ccccc1)N 1P002326 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.39 C=CCC(c1ccccc1)(O)C 1P003IBR [1,1,0,0,0,0|1,0,1]=4 693 B12R1.39 CCCC(c1ccccc1)(N)C 1P01BKU1 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.39 CNCC(c1ccccc1)(C)C 1P00VUKI [1,1,0,0,0,0|1,0,0]=3 695 B12R1.39 CNCC(c1ccccc1)(F)C 1P028A3P [1,1,0,0,0,0|1,0,0]=3 696 B12R1.39 CNCC(c1ccccc1)(F)F 1P027WS0 [1,1,0,0,0,0|1,0,0]=3 697 B12R1.39 CNCC(c1ccccc1)(O)C 1P01C4EI [1,1,0,0,0,0|0,0,0]=2 698 B12R1.39 COCC(c1ccccc1)(N)C 1P019UHP [1,1,0,0,0,0|2,0,0]=4 699 B12R1.39 COCC(c1ccccc1)(O)C 1P019UE4 [1,1,0,0,0,0|1,0,0]=3 700 B12R1.39 NCCC(c1ccccc1)(O)C 1P01AGFB [1,1,0,0,0,0|2,0,0]=4 701 B12R1.107 CC(CC(c1ccccn1)O)C 1P01A0GP [1,1,0,0,0,0|2,0,0]=4 702 B12R1.107 CN(CC(=O)c1ccccc1)C 1P00CNM0 [1,1,0,0,0,0|0,0,2]=4 703 B12R1.107 CN(CC(c1cccnc1)N)C 1P028X9N [1,1,0,0,0,0|2,0,0]=4 704 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [1,1,0,0,0,0|2,0,0]=4 705 B12R1.107 NC(c1ccccc1)CC(C)C 1P00C0WB [1,1,0,0,0,0|2,0,0]=4 706 B12R1.107 NC(c1ccccc1)CC(C)C 1P019LPB [1,1,0,0,0,0|2,0,0]=4 707 B12R1.107 NC(c1ccccc1)CN(C)C 1P00BZGW [1,1,0,0,0,0|1,0,0]=3 708 B12R1.107 NC(c1ccccc1)CN(C)C 1P01ADDB [1,1,0,0,0,0|1,0,0]=3 709 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [1,1,0,0,0,0|2,0,0]=4 710 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P000T0X [1,1,0,0,0,0|2,0,0]=4 711 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P008YO7 [1,1,0,0,0,0|2,0,0]=4 712 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P003722 [1,1,0,0,0,0|1,0,0]=3 713 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P01BD0I [1,1,0,0,0,0|1,0,0]=3 714 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P000WWO [1,1,0,0,0,0|2,0,0]=4 715 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P008YO9 [1,1,0,0,0,0|2,0,0]=4 716 B12R1.107 N[C@H](c1ccccc1)CN(C)C 1P00BASK [1,1,0,0,0,0|1,0,0]=3 717 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.107 OC(c1ccccc1)CC(F)F 1P01EN0Y [1,1,0,0,0,0|2,0,0]=4 719 B12R1.107 OC(c1ccccc1)CC(N)C 1P01A046 [1,1,0,0,0,0|1,0,0]=3 720 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [1,1,0,0,0,0|2,0,0]=4 721 B12R1.107 O[C@@H](c1ccccc1)CN(C)C 1P028DPC [1,1,0,0,0,0|0,0,0]=2 722 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [1,1,0,0,0,0|2,0,0]=4 723 B12R1.308 CCCC(c1ccccc1C)N 1P01AT9E [1,1,0,0,0,0|2,0,0]=4 724 B12R1.308 CCCC(c1ccccc1Cl)O 1P01IGTQ [1,1,0,0,0,0|1,0,0]=3 725 B12R1.308 CCC[C@H](c1ccccc1C)N 1P001TCR [1,1,0,0,0,0|2,0,0]=4 726 B12R1.308 CCC[C@H](c1ccccc1C)N 1P00FAMU [1,1,0,0,0,0|2,0,0]=4 727 B12R1.308 CNCC(=O)c1ccccc1Cl 1P01BILJ [1,1,0,0,0,0|0,0,2]=4 728 B12R1.308 CNCC(c1ccccc1Br)O 1P01ALNO [1,1,0,0,0,0|0,0,0]=2 729 B12R1.308 COCC(c1ccccc1Cl)N 1P028NCU [1,1,0,0,0,0|2,0,0]=4 730 B12R1.308 COCC(c1ccccc1Cl)O 1P028J5E [1,1,0,0,0,0|1,0,0]=3 731 B12R1.308 CSCC(c1ccccc1Cl)N 1P028MEP [1,1,0,0,0,0|2,0,0]=4 732 B12R1.308 N#CCC(c1ccccc1Cl)O 1P028XMV [1,1,0,0,0,0|2,0,0]=4 733 B12R1.20 CC(=C)C(c1ccc(cc1)C)O 1P0285PR [1,1,0,0,0,0|0,0,2]=4 734 B12R1.20 CC(C(=O)c1ccc(cc1)Br)C 1P00DAUU [1,1,0,0,0,0|0,0,2]=4 735 B12R1.20 CC(C(=O)c1ccc(cc1)Br)N 1P01DX7V [1,1,0,0,0,0|0,0,2]=4 736 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)C 1P007SID [1,1,0,0,0,0|0,0,2]=4 737 B12R1.20 CC(C(=O)c1ccc(cc1)F)C 1P002TI7 [1,1,0,0,0,0|0,0,2]=4 738 B12R1.20 CC(C(=O)c1ccc(cc1)N)C 1P01ALAR [1,1,0,0,0,0|0,0,2]=4 739 B12R1.20 CC(C(=O)c1ccc(cc1)O)C 1P00CYVD [1,1,0,0,0,0|0,0,2]=4 740 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P00ASTB [1,1,0,0,0,0|1,0,0]=3 741 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P01AU0J [1,1,0,0,0,0|1,0,0]=3 742 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJJ [1,1,0,0,0,0|0,0,0]=2 743 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJK [1,1,0,0,0,0|0,0,0]=2 744 B12R1.20 CC([C@@H](c1ccc(cc1)C)N)C 1P00A099 [1,1,0,0,0,0|1,0,0]=3 745 B12R1.20 CC([S@@](=O)c1ccc(cc1)Br)C 1P00CRD1 [1,1,0,0,0,0|1,0,1]=4 746 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P00BJU0 [1,1,0,0,0,0|1,0,0]=3 747 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P01E1MR [1,1,0,0,0,0|1,0,0]=3 748 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P003B6F [1,1,0,0,0,0|1,0,0]=3 749 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P00G4L4 [1,1,0,0,0,0|1,0,0]=3 750 B12R1.20 NC(c1ccc(cc1)F)C(C)C 1P00ASSZ [1,1,0,0,0,0|1,0,0]=3 751 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(C)C 1P00A05V [1,1,0,0,0,0|1,0,0]=3 752 B12R1.20 N[C@@H](c1ccc(cc1)F)C(C)C 1P009IV0 [1,1,0,0,0,0|1,0,0]=3 753 B12R1.20 N[C@H](c1ccc(cc1)Br)C(C)C 1P00A087 [1,1,0,0,0,0|1,0,0]=3 754 B12R1.20 N[C@H](c1ccc(cc1)F)C(C)C 1P009IV2 [1,1,0,0,0,0|1,0,0]=3 755 B12R1.20 N[C@H](c1ccc(cc1)F)[C@@H](O)C 1P024HSB [1,1,0,0,0,0|2,0,0]=4 756 B12R1.20 OC(c1ccc(cc1)Br)C(F)F 1P019EDV [1,1,0,0,0,0|2,0,0]=4 757 B12R1.20 OC(c1ccc(cc1)Br)C(N)C 1P01A85M [1,1,0,0,0,0|0,0,0]=2 758 B12R1.20 OC(c1ccc(cc1)Cl)C(C)C 1P01A2GR [1,1,0,0,0,0|0,0,0]=2 759 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P00BDVF [1,1,0,0,0,0|0,0,0]=2 760 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P019TKY [1,1,0,0,0,0|0,0,0]=2 761 B12R1.20 OC(c1ccc(cc1)F)C(N)C 1P01AHY8 [1,1,0,0,0,0|0,0,0]=2 762 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(F)F 1P0292AE [1,1,0,0,0,0|2,0,0]=4 763 B12R1.20 O[C@H](c1ccc(cc1)Br)C(F)F 1P028FML [1,1,0,0,0,0|2,0,0]=4 764 B12R1.124 CC(C(=O)c1ccccc1Br)C 1P002KKP [1,1,0,0,0,0|0,0,2]=4 765 B12R1.124 CC(C(=O)c1ccccc1C)C 1P0029Q4 [1,1,0,0,0,0|0,0,2]=4 766 B12R1.124 CC(C(=O)c1ccccc1Cl)C 1P00IA4A [1,1,0,0,0,0|0,0,2]=4 767 B12R1.124 CC(C(=O)c1ccccc1F)C 1P01FQ85 [1,1,0,0,0,0|0,0,2]=4 768 B12R1.124 CC(C(=O)c1ccccc1N)C 1P007LR5 [1,1,0,0,0,0|0,0,2]=4 769 B12R1.124 CC(C(c1ccccc1C)N)C 1P00H3U4 [1,1,0,0,0,0|1,0,0]=3 770 B12R1.124 CC(C(c1ccccc1C)O)C 1P01AVHH [1,1,0,0,0,0|0,0,0]=2 771 B12R1.124 CC(C(c1ccccc1Cl)C)N 1P01EINU [1,1,0,0,0,0|1,0,0]=3 772 B12R1.124 CC(C(c1ccccc1Cl)N)C 1P01AIZL [1,1,0,0,0,0|1,0,0]=3 773 B12R1.124 CC(C(c1ccccc1F)N)O 1P01C4Q9 [1,1,0,0,0,0|2,0,0]=4 774 B12R1.124 CC(C(c1ccccc1F)O)N 1P019TD7 [1,1,0,0,0,0|0,0,0]=2 775 B12R1.124 CC(C(c1ccccc1N)N)C 1P01A3I1 [1,1,0,0,0,0|1,0,0]=3 776 B12R1.124 CC(C(c1ccccc1N)O)C 1P01A3G6 [1,1,0,0,0,0|0,0,0]=2 777 B12R1.124 CC(C(c1ncccc1C)N)C 1P01AITD [1,1,0,0,0,0|2,0,0]=4 778 B12R1.124 CC(N(c1ccccc1N)C)C 1P01BHXK [1,1,0,0,0,0|2,0,0]=4 779 B12R1.124 CN([C@H](c1ccccc1[S-])C)C 1P028J2E [1,1,0,0,0,0|2,0,0]=4 780 B12R1.124 FC([C@@H](c1ccccc1F)O)F 1P0286PK [1,1,0,0,0,0|2,0,0]=4 781 B12R1.124 FC([C@H](c1ccccc1F)O)F 1P028GCH [1,1,0,0,0,0|2,0,0]=4 782 B12R1.225 Brc1cccc(c1)C(=O)C(C)C 1P006XNG [1,1,0,0,0,0|0,0,2]=4 783 B12R1.225 CC(=O)C(c1cccc(c1)Cl)O 1P004PQB [1,1,0,0,0,0|1,0,1]=4 784 B12R1.225 CC(C(c1cccc(c1)Cl)O)N 1P01BB2A [1,1,0,0,0,0|0,0,0]=2 785 B12R1.225 CC(C(c1cccc(c1)F)O)N 1P019UH2 [1,1,0,0,0,0|0,0,0]=2 786 B12R1.225 CC(C(c1cncc(c1)F)N)C 1P0285ED [1,1,0,0,0,0|2,0,0]=4 787 B12R1.225 CC([C@@H](c1cccc(c1)Br)N)C 1P01JV63 [1,1,0,0,0,0|1,0,0]=3 788 B12R1.225 CC([C@H](c1cccc(c1)Br)N)C 1P01DUNA [1,1,0,0,0,0|1,0,0]=3 789 B12R1.225 CC([C@H](c1cccc(c1)Cl)N)C 1P009GUD [1,1,0,0,0,0|1,0,0]=3 790 B12R1.225 CC([C@H](c1cccc(c1)Cl)N)C 1P00A09L [1,1,0,0,0,0|1,0,0]=3 791 B12R1.225 CN(C(c1cccc(c1)O)C)C 1P00HB4N [1,1,0,0,0,0|2,0,0]=4 792 B12R1.225 CN([C@@H](c1cccc(c1)O)C)C 1P004RUZ [1,1,0,0,0,0|2,0,0]=4 793 B12R1.225 CN([C@H](c1cccc(c1)O)C)C 1P001B70 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N 1P01CCPX [1,1,0,0,0,0|0,0,0]=2 795 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1P01BW19 [1,1,0,0,0,0|0,0,2]=4 796 B12R1.225 Clc1cccc(c1)C(=O)C(N)C 1P01XF2C [1,1,0,0,0,0|0,0,2]=4 797 B12R1.225 FC(C(c1cccc(c1)Br)O)F 1P028WH1 [1,1,0,0,0,0|2,0,0]=4 798 B12R1.225 FC([C@@H](c1cccc(c1)F)O)F 1P028KAL [1,1,0,0,0,0|2,0,0]=4 799 B12R1.225 FC([C@H](c1cccc(c1)Cl)O)F 1P028L5P [1,1,0,0,0,0|2,0,0]=4 800 B12R1.225 FC([C@H](c1cccc(c1)F)O)F 1P028LCA [1,1,0,0,0,0|2,0,0]=4 801 B12R1.225 Ic1cccc(c1)C(=O)C(C)C 1P0284GL [1,1,0,0,0,0|0,0,2]=4 802 B12R1.225 NC(c1nccc(c1)Cl)C(C)C 1P01XD4L [1,1,0,0,0,0|2,0,0]=4 803 B12R1.225 NC(c1nccc(c1)Cl)C(C)C 1P01XDI7 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.225 Nc1cccc(c1)C(=O)C(C)C 1P01EKBB [1,1,0,0,0,0|0,0,2]=4 805 B12R1.225 Nc1cccc(c1)N(C(C)C)C 1P01AHL3 [1,1,0,0,0,0|2,0,0]=4 806 B12R1.253 CC(C(c1ccccc1)(C)C)N 1P00DOAO [1,1,0,0,0,0|1,0,0]=3 807 B12R1.253 CC(C(c1ccccc1)(F)F)N 1P01C0WR [1,1,0,0,0,0|1,0,0]=3 808 B12R1.253 CC(S(=O)(=O)c1ccccc1)C 1P00CJWG [1,1,0,0,0,0|1,0,1]=4 809 B12R1.253 C[C@H]([C@](c1ccccc1)(O)C)N 1P01PPQY [1,1,0,0,0,0|0,0,0]=2 810 B12R1.253 NC(=N)C(c1ccccc1)(O)C 1P01ADJ8 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.478 BrCC(c1ccccc1)C(C)C 1P01BM1R [1,1,0,0,0,0|1,0,0]=3 812 B12R1.478 CC(C(c1ccccc1)C#N)C 1P003HY8 [1,1,0,0,0,0|1,0,0]=3 813 B12R1.478 CC(N(c1ccccc1)N=O)C 1P002PE6 [1,1,0,0,0,0|1,0,1]=4 814 B12R1.478 CN(C(c1ccccc1)C#C)C 1P028BGJ [1,1,0,0,0,0|2,0,0]=4 815 B12R1.478 CN(C(c1ccccc1)C#N)C 1P003O7T [1,1,0,0,0,0|2,0,0]=4 816 B12R1.478 CNC(c1ccccc1)C(C)C 1P01AI8F [1,1,0,0,0,0|1,0,0]=3 817 B12R1.478 CNC(c1ccccc1)C(N)C 1P028JX4 [1,1,0,0,0,0|1,0,0]=3 818 B12R1.478 CNC(c1cccnc1)C(C)C 1P01AAT2 [1,1,0,0,0,0|2,0,0]=4 819 B12R1.478 CNC(c1cccnc1)C(C)C 1P028B7B [1,1,0,0,0,0|2,0,0]=4 820 B12R1.478 COC(c1ccccc1)C(=O)C 1P008OMN [1,1,0,0,0,0|1,0,1]=4 821 B12R1.478 NCC(c1ccccc1)N(C)C 1P003C24 [1,1,0,0,0,0|2,0,0]=4 822 B12R1.478 NCC(c1cccnc1)C(C)C 1P019U8F [1,1,0,0,0,0|2,0,0]=4 823 B12R1.478 NC[C@@H](c1ccccc1)N(C)C 1P02818H [1,1,0,0,0,0|2,0,0]=4 824 B12R1.478 NC[C@H](c1ccccc1)C(C)C 1P0032XS [1,1,0,0,0,0|1,0,0]=3 825 B12R1.478 NC[C@H](c1ccccc1)N(C)C 1P020MLH [1,1,0,0,0,0|2,0,0]=4 826 B12R1.478 O=CC(c1ccccc1)C(C)C 1P007NZ9 [1,1,0,0,0,0|0,0,1]=3 827 B12R1.478 OCC(c1ccccc1)C(=O)N 1P00EM6X [1,1,0,0,0,0|1,0,1]=4 828 B12R1.478 OCC(c1ccccc1)C(C)C 1P0288C7 [1,1,0,0,0,0|0,0,0]=2 829 B12R1.564 BrC(C(C)(C)C)c1ccccc1 1P01EM8R [1,1,0,0,0,0|1,0,0]=3 830 B12R1.564 CC(C(C)(C)C)c1ccccc1 1P002GLK [1,1,0,0,0,0|1,0,0]=3 831 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P00DIQQ [1,1,0,0,0,0|1,0,0]=3 832 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P01DWYN [1,1,0,0,0,0|1,0,0]=3 833 B12R1.564 CC(C(O)(C)C)c1ccccc1 1P00CZW7 [1,1,0,0,0,0|1,0,0]=3 834 B12R1.564 ClC(C(C)(C)C)c1ccccc1 1P001YRW [1,1,0,0,0,0|1,0,0]=3 835 B12R1.564 ClC(C(F)(F)C)c1ccccc1 1P028DKC [1,1,0,0,0,0|2,0,0]=4 836 B12R1.564 ClP(C(C)(C)C)c1ccccc1 1P003P9B [1,1,0,0,0,0|2,0,0]=4 837 B12R1.564 FC(C(N)(C)C)c1ccccc1 1P01EINX [1,1,0,0,0,0|1,0,0]=3 838 B12R1.564 NC(C(C)(C)C)c1ccccc1 1P003FS0 [1,1,0,0,0,0|1,0,0]=3 839 B12R1.564 NC(C(C)(C)C)c1ccccc1 1P01KKWU [1,1,0,0,0,0|1,0,0]=3 840 B12R1.564 NC(C(C)(C)C)c1ccccn1 1P024FYX [1,1,0,0,0,0|2,0,0]=4 841 B12R1.564 NC(C(F)(F)C)c1ccccc1 1P028HVC [1,1,0,0,0,0|2,0,0]=4 842 B12R1.564 NC(C(O)(C)C)c1ccccc1 1P028IVZ [1,1,0,0,0,0|1,0,0]=3 843 B12R1.564 NC(P(=O)(C)C)c1ccccc1 1P028YV2 [1,1,0,0,0,0|2,0,0]=4 844 B12R1.564 N[C@@H](C(C)(C)C)c1ccccc1 1P0095XW [1,1,0,0,0,0|1,0,0]=3 845 B12R1.564 N[C@@H](C(O)(C)C)c1ccccc1 1P01SH24 [1,1,0,0,0,0|1,0,0]=3 846 B12R1.564 N[C@@H](P(=O)(C)C)c1ccccc1 1P027ZN3 [1,1,0,0,0,0|2,0,0]=4 847 B12R1.564 N[C@H](C(C)(C)C)c1ccccc1 1P002F75 [1,1,0,0,0,0|1,0,0]=3 848 B12R1.564 N[C@H](C(O)(C)C)c1ccccc1 1P001YGJ [1,1,0,0,0,0|1,0,0]=3 849 B12R1.564 N[C@H](P(=O)(C)C)c1ccccc1 1P028L23 [1,1,0,0,0,0|2,0,0]=4 850 B12R1.564 O=C(C(Br)(C)C)c1ccccc1 1P003H31 [1,1,0,0,0,0|0,0,2]=4 851 B12R1.564 O=C(C(C)(C)C)c1ccccc1 1P003FO3 [1,1,0,0,0,0|0,0,2]=4 852 B12R1.564 O=C(C(N)(C)C)c1ccccc1 1P00ICEO [1,1,0,0,0,0|0,0,2]=4 853 B12R1.564 O=C(C(O)(C)C)c1ccccc1 1P0033SU [1,1,0,0,0,0|0,0,2]=4 854 B12R1.564 OC(C(Cl)(Cl)Cl)c1ccccc1 1P002CYU [1,1,0,0,0,0|2,0,0]=4 855 B12R1.564 OC(C(F)(F)C)c1ccccc1 1P027U3H [1,1,0,0,0,0|1,0,0]=3 856 B12R1.564 OC(C(F)(F)F)c1ccccc1 1P003F2M [1,1,0,0,0,0|2,0,0]=4 857 B12R1.564 OC(C(N)(C)C)c1ccccc1 1P00COTA [1,1,0,0,0,0|0,0,0]=2 858 B12R1.564 O[C@@H](C(F)(F)F)c1ccccc1 1P003CJY [1,1,0,0,0,0|2,0,0]=4 859 B12R1.564 O[C@H](C(F)(F)F)c1ccccc1 1P003CYA [1,1,0,0,0,0|2,0,0]=4 860 B12R1.32 BrCCN(Cc1ccccc1)C 1P01BERH [1,1,0,0,0,0|2,0,0]=4 861 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [1,1,0,0,0,0|0,0,2]=4 862 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [1,1,0,0,0,0|2,0,0]=4 863 B12R1.32 CCCC(Nc1ccccc1)C 1P019XTJ [1,1,0,0,0,0|2,0,0]=4 864 B12R1.32 CNCC(=Cc1ccccc1)C 1P01BE9U [1,1,0,0,0,0|0,0,2]=4 865 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [1,1,0,0,0,0|0,0,0]=2 866 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [1,1,0,0,0,0|1,0,0]=3 867 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [1,1,0,0,0,0|1,0,0]=3 868 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [1,1,0,0,0,0|2,0,0]=4 869 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [1,1,0,0,0,0|2,0,0]=4 870 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [1,1,0,0,0,0|2,0,0]=4 871 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [1,1,0,0,0,0|2,0,0]=4 872 B12R1.32 ClCCN(Cc1ccccc1)C 1P002NY3 [1,1,0,0,0,0|2,0,0]=4 873 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [1,1,0,0,0,0|1,0,0]=3 874 B12R1.32 NCCN(Cc1ccccc1)C 1P0039QI [1,1,0,0,0,0|2,0,0]=4 875 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [1,1,0,0,0,0|2,0,0]=4 876 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [1,1,0,0,0,0|2,0,0]=4 877 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [1,1,0,0,0,0|1,0,1]=4 878 B12R1.32 SCCN(Cc1ccccc1)C 1P01BGFN [1,1,0,0,0,0|2,0,0]=4 879 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [1,1,0,0,0,0|2,0,0]=4 880 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [1,1,0,0,0,0|1,0,0]=3 881 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [1,1,0,0,0,0|2,0,0]=4 882 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [1,1,0,0,0,0|2,0,0]=4 883 B12R1.43 CC(C(C)C)Nc1ccccc1 1P00016P [1,1,0,0,0,0|2,0,0]=4 884 B12R1.43 CC(C(N)C)Oc1ccccc1 1P01AKTG [1,1,0,0,0,0|2,0,0]=4 885 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [1,1,0,0,0,0|2,0,0]=4 886 B12R1.43 CN(C(=O)Cc1ccccc1)C 1P002ILY [1,1,0,0,0,0|1,0,1]=4 887 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [1,1,0,0,0,0|2,0,0]=4 888 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [1,1,0,0,0,0|2,0,0]=4 889 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [1,1,0,0,0,0|2,0,0]=4 890 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [1,1,0,0,0,0|2,0,0]=4 891 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [1,1,0,0,0,0|2,0,0]=4 892 B12R1.43 OC(C(N)C)Cc1ccccc1 1P01A27Z [1,1,0,0,0,0|2,0,0]=4 893 B12R1.49 CC(Cc1ccc(cc1)Cl)C#N 1P023PAL [1,1,0,0,0,0|2,0,0]=4 894 B12R1.49 CCC(Cc1ccc(cc1)Br)N 1P01B75H [1,1,0,0,0,0|2,0,0]=4 895 B12R1.49 CCC(Cc1ccc(cc1)C)N 1P00B8C1 [1,1,0,0,0,0|2,0,0]=4 896 B12R1.49 CCC(Cc1ccc(cc1)C)O 1P019SLJ [1,1,0,0,0,0|2,0,0]=4 897 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 1P00BESL [1,1,0,0,0,0|2,0,0]=4 898 B12R1.49 CCC(Cc1ccc(cc1)F)N 1P00C4E1 [1,1,0,0,0,0|2,0,0]=4 899 B12R1.49 CCC(Cc1ccc(cc1)O)N 1P01A7DK [1,1,0,0,0,0|2,0,0]=4 900 B12R1.49 CCC(Oc1ccc(cc1)Br)C 1P019YC2 [1,1,0,0,0,0|2,0,0]=4 901 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00EEKR [1,1,0,0,0,0|2,0,0]=4 902 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00J278 [1,1,0,0,0,0|2,0,0]=4 903 B12R1.49 CCC(Oc1ccc(cc1)O)C 1P0068LX [1,1,0,0,0,0|2,0,0]=4 904 B12R1.49 CCN(Cc1ccc(cc1)N)C 1P019YRC [1,1,0,0,0,0|2,0,0]=4 905 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 1P005QNZ [1,1,0,0,0,0|1,0,1]=4 906 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 1P00IB5K [1,1,0,0,0,0|1,0,1]=4 907 B12R1.49 CNC(=O)Cc1ccc(cc1)N 1P00C996 [1,1,0,0,0,0|1,0,1]=4 908 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1P002XUE [1,1,0,0,0,0|1,0,1]=4 909 B12R1.49 CNC(Cc1ccc(cc1)F)C 1P01BFBZ [1,1,0,0,0,0|0,0,0]=2 910 B12R1.49 CNC(Cc1ccc(cc1)O)C 1P01LJEU [1,1,0,0,0,0|0,0,0]=2 911 B12R1.49 OCC(Cc1ccc(cc1)F)C 1P01ADFP [1,1,0,0,0,0|2,0,0]=4 912 B12R1.50 CCC(Oc1cccc(c1)N)C 1P00FA91 [1,1,0,0,0,0|2,0,0]=4 913 B12R1.50 CCC(Oc1cccc(c1)N)C 1P01AMF2 [1,1,0,0,0,0|2,0,0]=4 914 B12R1.50 CNC(=O)Cc1cccc(c1)N 1P00EEFC [1,1,0,0,0,0|1,0,1]=4 915 B12R1.50 CNC(=O)Cc1cccc(c1)O 1P01AD44 [1,1,0,0,0,0|1,0,1]=4 916 B12R1.118 BrCC(Cc1ccccc1)OC 1P000H3A [1,1,0,0,0,0|1,0,0]=3 917 B12R1.118 CCC(Cc1ccccc1)NC 1P00G3TS [1,1,0,0,0,0|0,0,0]=2 918 B12R1.118 CCC(Cc1ccccc1)NC 1P00GPY7 [1,1,0,0,0,0|0,0,0]=2 919 B12R1.118 CCC(Nc1ccccc1)CO 1P01A9VK [1,1,0,0,0,0|2,0,0]=4 920 B12R1.118 CCC(Oc1ccccc1)CN 1P01AI3J [1,1,0,0,0,0|2,0,0]=4 921 B12R1.118 CCC(Oc1ccccc1)CN 1P028YBU [1,1,0,0,0,0|2,0,0]=4 922 B12R1.118 CCN(Cc1ccccc1)CC 1P0035RS [1,1,0,0,0,0|2,0,0]=4 923 B12R1.118 COC(Cc1ccccc1)C#N 1P01ANVY [1,1,0,0,0,0|1,0,1]=4 924 B12R1.118 COC(Cc1ccccc1)C=O 1P01AV5H [1,1,0,0,0,0|1,0,1]=4 925 B12R1.118 COC(Cc1ccccc1)OC 1P0003VY [1,1,0,0,0,0|1,0,0]=3 926 B12R1.118 COC([SiH2]c1ccccc1)OC 1P002ZVS [1,1,0,0,0,0|1,1,0]=4 927 B12R1.118 NCC(Cc1ccccc1)CO 1P00FICE [1,1,0,0,0,0|2,0,0]=4 928 B12R1.118 NCC(Cc1ccccc1)CO 1P028WXN [1,1,0,0,0,0|2,0,0]=4 929 B12R1.118 NCC(Cc1ccccc1)CS 1P028YTH [1,1,0,0,0,0|2,0,0]=4 930 B12R1.118 NCC(Cc1ccccc1)NC 1P01A6YF [1,1,0,0,0,0|0,0,0]=2 931 B12R1.118 NCC(Cc1ccccc1)OC 1P00H2E2 [1,1,0,0,0,0|1,0,0]=3 932 B12R1.118 NCC(Cc1ccccc1)OC 1P028CXK [1,1,0,0,0,0|1,0,0]=3 933 B12R1.118 OCC(Cc1ccccc1)C#N 1P00I5F3 [1,1,0,0,0,0|2,0,0]=4 934 B12R1.118 OCC(Cc1ccccc1)CO 1P002S8P [1,1,0,0,0,0|2,0,0]=4 935 B12R1.118 OCC(Cc1ccccc1)NC 1P00GTMT [1,1,0,0,0,0|0,0,0]=2 936 B12R1.118 OCC(Cc1ccccc1)OC 1P01AUXJ [1,1,0,0,0,0|1,0,0]=3 937 B12R1.118 OC[C@H](Cc1ccccc1)NC 1P004YA0 [1,1,0,0,0,0|0,0,0]=2 938 B12R1.194 C#CC(Cc1ccccc1)(O)C 1P01B65V [1,1,0,0,0,0|1,0,1]=4 939 B12R1.194 CCC(Cc1ccccc1)(O)C 1P003I26 [1,1,0,0,0,0|1,0,0]=3 940 B12R1.194 CNS(=O)(=O)Cc1ccccc1 1P019W0S [1,1,0,0,0,0|2,0,0]=4 941 B12R1.194 N#CC(Cc1ccccc1)(C)C 1P00I7KH [1,1,0,0,0,0|2,0,0]=4 942 B12R1.194 NCC(Cc1ccccc1)(C)C 1P01AJMU [1,1,0,0,0,0|2,0,0]=4 943 B12R1.194 O=CC(Cc1ccccc1)(C)C 1P0003L9 [1,1,0,0,0,0|2,0,0]=4 944 B12R1.194 OCC(Cc1ccccc1)(N)C 1P027X9I [1,1,0,0,0,0|2,0,0]=4 945 B12R1.371 CCC(Cc1ccccc1Br)N 1P01A0A9 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.371 CCC(Oc1ccccc1N)C 1P00DDQ2 [1,1,0,0,0,0|2,0,0]=4 947 B12R1.371 CNC(=O)Cc1ccccc1Cl 1P00IKSY [1,1,0,0,0,0|1,0,1]=4 948 B12R1.371 CNC(=O)Cc1ccccc1N 1P00C8RJ [1,1,0,0,0,0|1,0,1]=4 949 B12R1.371 CNC(Cc1ccccc1C)C 1P01BFBU [1,1,0,0,0,0|0,0,0]=2 950 B12R1.371 CNC(Cc1ccccc1F)C 1P00AQR6 [1,1,0,0,0,0|0,0,0]=2 951 B14R1.60 CCNC(=O)C(Cc1ccccc1)O 1P01C210 [0,1,0,0,0,1|1,0,1]=4 952 B14R1.60 CCNC(=O)[C@H](Cc1ccccc1)O 1P01C4HM [0,1,0,0,0,1|1,0,1]=4 953 B14R1.60 CNCC(N(Cc1ccccc1)C)C 1P0284H1 [0,1,0,0,0,1|2,0,0]=4 954 B14R1.135 COC(C(Cc1cccc(c1)C)N)C 1P028RUH [0,1,0,0,0,1|2,0,0]=4 955 B14R1.35 CCNC(C(=O)c1ccc(cc1)F)C 1P01EPET [0,2,0,0,0,0|0,0,2]=4 956 B14R1.35 OC(C(N=[N+]=[N-])C)c1ccc(cc1)C 1P01BC6Q [0,2,0,0,0,0|1,0,1]=4 957 B14R1.88 CCC(C(=O)c1ccc(cc1)Br)NC 1P0284ER [0,2,0,0,0,0|0,0,2]=4 958 B14R1.88 CCC(C(=O)c1ccc(cc1)Cl)NC 1P01EQUX [0,2,0,0,0,0|0,0,2]=4 959 B14R1.88 CCC(C(=O)c1ccc(cc1)F)NC 1P01EPMS [0,2,0,0,0,0|0,0,2]=4 960 B14R1.132 CC(C(=O)c1ccc(cc1)Cl)N(C)C 1P01LIP8 [0,2,0,0,0,0|0,0,2]=4 961 B14R1.132 CN(C(C(=O)c1ccc(cc1)C)C)C 1P01EPRI [0,2,0,0,0,0|0,0,2]=4 962 B14R1.132 OC(c1ccc(cc1)Cl)C(C(C)C)N 1P01B7FS [0,2,0,0,0,0|2,0,0]=4 963 B14R1.1003 CNC(C(=O)c1ccc(c(c1)Cl)Cl)C 1P01LJS6 [0,2,0,0,0,0|0,0,2]=4 964 B14R1.1003 CN[C@@H]([C@@H](c1ccc(c(c1)C)C)O)C 1P00DMHV [0,2,0,0,0,0|0,0,0]=2 965 B14R1.1003 CN[C@H]([C@@H](c1ccc(c(c1)C)C)O)C 1P01EPL3 [0,2,0,0,0,0|0,0,0]=2 966 B14R1.2819 CNC(C(=O)c1ccc(cc1C)C)C 1P01EPGZ [0,2,0,0,0,0|0,0,2]=4 967 B14R1.36 CCNC(C(=O)c1cccc(c1)Cl)C 1P01EQ47 [0,2,0,0,0,0|0,0,2]=4 968 B14R1.36 CCNC(C(=O)c1cccc(c1)F)C 1P01EPF4 [0,2,0,0,0,0|0,0,2]=4 969 B14R1.79 CNC(C(=O)c1cccc(c1)CC)C 1P01EPF2 [0,2,0,0,0,0|0,0,2]=4 970 B14R1.150 CN(C(C(=O)c1cccc(c1)Cl)C)C 1P01EQOZ [0,2,0,0,0,0|0,0,2]=4 971 B14R1.166 CCCNC(C(=O)c1ccccc1)C 1P01LJ3J [0,2,0,0,0,0|0,0,2]=4 972 B14R1.417 CC(C(=O)c1ccccc1)CN(C)C 1P003JTW [0,2,0,0,0,0|0,0,2]=4 973 B14R1.478 CCC(C(=O)c1ccccc1)NCC 1P01EPG0 [0,2,0,0,0,0|0,0,2]=4 974 B14R1.478 CCC[C@@H]([C@@H](c1ccccc1)O)NC 1P01EPKV [0,2,0,0,0,0|0,0,0]=2 975 B14R1.3348 CCNC(C(=O)c1ccccc1C)C 1P01EPFB [0,2,0,0,0,0|0,0,2]=4 976 B14R1.3348 CCNC(C(=O)c1ccccc1F)C 1P01EPEY [0,2,0,0,0,0|0,0,2]=4 977 B14R1.391 COC(C(c1ccccc1)C#N)OC 1P01A2P8 [0,2,0,0,0,0|2,0,0]=4 978 B14R1.2883 CCC(C(c1ccccc1)N)(CC)C 1P027YI6 [0,2,0,0,0,0|2,0,0]=4 979 B14R1.243 CN(C(C(=O)c1ccccc1Cl)C)C 1P01EQP4 [0,2,0,0,0,0|0,0,2]=4 980 B14R1.243 [O-][N+](=O)C(C(c1ccccc1F)O)C 1P019T7X [0,2,0,0,0,0|1,0,1]=4 981 B14R1.1027 OCC(C(=O)N(C)C)c1ccccc1 1P01B5GB [0,2,0,0,0,0|1,0,1]=4 982 B14R1.2984 CCC(C(c1ccccc1)C(=O)O)C 1P0057WE [0,2,0,0,0,0|1,0,0]=3 983 B14R1.2984 CCN(C(c1ccccc1)C(=O)O)C 1P01AAJ9 [0,2,0,0,0,0|2,0,0]=4 984 B14R1.7706 COC(c1ccccc1Cl)C(NO)C 1P01A5OX [0,2,0,0,0,0|1,0,0]=3 985 B14R1.95 CNC(C(=O)c1ccccc1CC)C 1P01EPPZ [0,2,0,0,0,0|0,0,2]=4 986 B14R1.8657 CCC(C(c1c(F)cccc1Cl)O)N 1P019TGM [0,2,0,0,0,0|2,0,0]=4 987 B14R1.8657 CCC(C(c1c(F)cccc1F)O)N 1P019T3B [0,2,0,0,0,0|2,0,0]=4 988 B12R2.2 C1CNC(C1)c2ccccc2 1P0002WI [1,0,0,1,0,0|2,0,0]=4 989 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P0037LI [1,0,0,1,0,0|2,0,0]=4 990 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P00EIWN [1,0,0,1,0,0|2,0,0]=4 991 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P0037IN [1,0,0,1,0,0|2,0,0]=4 992 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P00EKMJ [1,0,0,1,0,0|2,0,0]=4 993 B12R2.2 C1COC(C1)c2ccccc2 1P001STW [1,0,0,1,0,0|1,0,0]=3 994 B12R2.2 C1COC(O1)c2ccccc2 1P003IBH [1,0,0,1,0,0|2,0,0]=4 995 B12R2.2 C1NCC(C1)c2ccccc2 1P003A3E [1,0,0,1,0,0|1,0,0]=3 996 B12R2.2 C1NCC(C1)c2ccccc2 1P00GSPY [1,0,0,1,0,0|1,0,0]=3 997 B12R2.2 C1NCC(C1)c2ccccn2 1P001MXE [1,0,0,1,0,0|2,0,0]=4 998 B12R2.2 C1NCC(C1)c2ccccn2 1P009A8H [1,0,0,1,0,0|2,0,0]=4 999 B12R2.2 C1NCC(C1)c2ccccn2 1P01EJJF [1,0,0,1,0,0|2,0,0]=4 1000 B12R2.2 C1NCC(C1)c2cccnc2 1P001MXD [1,0,0,1,0,0|2,0,0]=4 1001 B12R2.2 C1NCC(C1)c2cccnc2 1P00EKGP [1,0,0,1,0,0|2,0,0]=4 1002 B12R2.2 C1NCC(C1)c2ccncc2 1P001MXC [1,0,0,1,0,0|2,0,0]=4 1003 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P008SNV [1,0,0,1,0,0|1,0,0]=3 1004 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P00F5WR [1,0,0,1,0,0|1,0,0]=3 1005 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00F5E7 [1,0,0,1,0,0|1,0,0]=3 1006 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00G3DZ [1,0,0,1,0,0|1,0,0]=3 1007 B12R2.2 N1CC=C(C1)c2ccccc2 1P01A4QJ [1,0,0,1,0,0|1,0,1]=4 1008 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [1,0,0,1,0,0|1,0,0]=3 1009 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [1,0,0,1,0,0|1,0,0]=3 1010 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [1,0,0,1,0,0|1,0,0]=3 1011 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [1,0,0,1,0,0|2,0,0]=4 1012 B12R2.116 CC1(CNC1)c2ccccc2 1P00VV9A [1,0,0,1,0,0|1,0,0]=3 1013 B12R2.116 FC1(CNC1)c2ccccc2 1P01ACHT [1,0,0,1,0,0|1,0,0]=3 1014 B12R2.116 FC1(CNC1)c2ccccn2 1P028U5Z [1,0,0,1,0,0|2,0,0]=4 1015 B12R2.116 FC1(CNC1)c2cccnc2 1P02824S [1,0,0,1,0,0|2,0,0]=4 1016 B12R2.116 FC1(CNC1)c2cccnc2 1P0286WK [1,0,0,1,0,0|2,0,0]=4 1017 B12R2.116 FC1(CNC1)c2ccncc2 1P028O57 [1,0,0,1,0,0|2,0,0]=4 1018 B12R2.116 NC1(CCC1)c2ccccc2 1P001ZOI [1,0,0,1,0,0|2,0,0]=4 1019 B12R2.116 NC1(CCC1)c2ccccc2 1P003F30 [1,0,0,1,0,0|2,0,0]=4 1020 B12R2.116 NC1(COC1)c2ccccc2 1P003AM6 [1,0,0,1,0,0|2,0,0]=4 1021 B12R2.116 NC1(COC1)c2ccccc2 1P009ZA5 [1,0,0,1,0,0|2,0,0]=4 1022 B12R2.116 OC1(CCC1)c2ccccc2 1P01A1WT [1,0,0,1,0,0|1,0,0]=3 1023 B12R2.116 OC1(CCC1)c2ccccn2 1P028ANI [1,0,0,1,0,0|2,0,0]=4 1024 B12R2.116 OC1(CCC1)c2cccnc2 1P01B38Z [1,0,0,1,0,0|2,0,0]=4 1025 B12R2.116 OC1(CNC1)c2ccccc2 1P00BIFC [1,0,0,1,0,0|0,0,0]=2 1026 B12R2.116 OC1(CNC1)c2ccccc2 1P00DKZ2 [1,0,0,1,0,0|0,0,0]=2 1027 B12R2.116 OC1(CNC1)c2ccccc2 1P01B23K [1,0,0,1,0,0|0,0,0]=2 1028 B12R2.116 OC1(CNC1)c2cccnc2 1P028NFA [1,0,0,1,0,0|1,0,0]=3 1029 B12R2.116 OC1(CNC1)c2ccncn2 1P028V3F [1,0,0,1,0,0|2,0,0]=4 1030 B12R2.116 OC1(COC1)c2ccccc2 1P005H3J [1,0,0,1,0,0|1,0,0]=3 1031 B12R2.116 OC1(COC1)c2ccccn2 1P0284WK [1,0,0,1,0,0|2,0,0]=4 1032 B12R2.116 OC1(COC1)c2cccnc2 1P01B71X [1,0,0,1,0,0|2,0,0]=4 1033 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZO [1,0,0,1,0,0|1,0,0]=3 1034 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZP [1,0,0,1,0,0|1,0,0]=3 1035 B12R2.1081 C[C@@H]1CNCc2c1cccc2 1P01DIHO [1,0,0,1,0,0|1,0,0]=3 1036 B12R2.1081 C[C@H]1CNCc2c1cccc2 1P00I7EK [1,0,0,1,0,0|1,0,0]=3 1037 B12R2.1081 ClC1CCCc2c1cccc2 1P003ENQ [1,0,0,1,0,0|2,0,0]=4 1038 B12R2.1081 NC1CCCc2c1cccc2 1P003DQN [1,0,0,1,0,0|2,0,0]=4 1039 B12R2.1081 NC1CCCc2c1cccc2 1P00D00F [1,0,0,1,0,0|2,0,0]=4 1040 B12R2.1081 NC1COCc2c1cccc2 1P000HO8 [1,0,0,1,0,0|2,0,0]=4 1041 B12R2.1081 NC1COCc2c1cccc2 1P007KJZ [1,0,0,1,0,0|2,0,0]=4 1042 B12R2.1081 NC1CSCc2c1cccc2 1P019Y83 [1,0,0,1,0,0|2,0,0]=4 1043 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P003CIU [1,0,0,1,0,0|2,0,0]=4 1044 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P00C7GV [1,0,0,1,0,0|2,0,0]=4 1045 B12R2.1081 N[C@@H]1COCc2c1cccc2 1P0289U3 [1,0,0,1,0,0|2,0,0]=4 1046 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P003CWB [1,0,0,1,0,0|2,0,0]=4 1047 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P00C09F [1,0,0,1,0,0|2,0,0]=4 1048 B12R2.1081 N[C@H]1COCc2c1cccc2 1P028YF6 [1,0,0,1,0,0|2,0,0]=4 1049 B12R2.1081 OC1CCCc2c1cccc2 1P003DQM [1,0,0,1,0,0|1,0,0]=3 1050 B12R2.1081 OC1CCCc2c1cccn2 1P00ACUT [1,0,0,1,0,0|2,0,0]=4 1051 B12R2.1081 OC1CCCc2c1ccnc2 1P00IKDB [1,0,0,1,0,0|2,0,0]=4 1052 B12R2.1081 OC1CCCc2c1nccc2 1P001ED2 [1,0,0,1,0,0|2,0,0]=4 1053 B12R2.1081 OC1CCNc2c1cccc2 1P00BHJL [1,0,0,1,0,0|2,0,0]=4 1054 B12R2.1081 OC1CCOc2c1cccc2 1P001FWV [1,0,0,1,0,0|2,0,0]=4 1055 B12R2.1081 OC1CCSc2c1cccc2 1P00BYVU [1,0,0,1,0,0|2,0,0]=4 1056 B12R2.1081 OC1CNCc2c1cccc2 1P009KHD [1,0,0,1,0,0|0,0,0]=2 1057 B12R2.1081 OC1COCc2c1cccc2 1P002KKW [1,0,0,1,0,0|1,0,0]=3 1058 B12R2.1081 OC1CSCc2c1cccc2 1P01A8OU [1,0,0,1,0,0|1,0,0]=3 1059 B12R2.1081 O[C@@H]1CCCc2c1cccc2 1P002NEW [1,0,0,1,0,0|1,0,0]=3 1060 B12R2.1081 O[C@@H]1CCCc2c1nccc2 1P00DKAT [1,0,0,1,0,0|2,0,0]=4 1061 B12R2.1081 O[C@@H]1CCOc2c1cccc2 1P009980 [1,0,0,1,0,0|2,0,0]=4 1062 B12R2.1081 O[C@@H]1CCSc2c1cccc2 1P019ROC [1,0,0,1,0,0|2,0,0]=4 1063 B12R2.1081 O[C@H]1CCCc2c1cccc2 1P003CWA [1,0,0,1,0,0|1,0,0]=3 1064 B12R2.1081 O[C@H]1CCCc2c1nccc2 1P00DJPW [1,0,0,1,0,0|2,0,0]=4 1065 B12R2.1081 O[C@H]1CCOc2c1cccc2 1P0011AH [1,0,0,1,0,0|2,0,0]=4 1066 B12R2.1081 O[C@H]1CCSc2c1cccc2 1P007O09 [1,0,0,1,0,0|2,0,0]=4 1067 B12R2.1081 SC1CCCc2c1cccc2 1P0086BH [1,0,0,1,0,0|1,1,0]=4 1068 B12R2.2028 CN1CN(c2c1cccc2)C 1P005Q4I [1,0,0,1,0,0|2,0,0]=4 1069 B12R2.2028 NC1CC(c2c1cccc2)C 1P00CLF0 [1,0,0,1,0,0|2,0,0]=4 1070 B12R2.2028 NC1CC(c2c1cccc2)C 1P01AAMP [1,0,0,1,0,0|2,0,0]=4 1071 B12R2.2028 N[C@H]1C[C@@H](c2c1cccc2)C 1P027YUY [1,0,0,1,0,0|2,0,0]=4 1072 B12R2.2028 N[C@H]1C[C@H](c2c1cccc2)C 1P027YBT [1,0,0,1,0,0|2,0,0]=4 1073 B12R2.2028 OC1CC(c2c1cccc2)N 1P00CXUG [1,0,0,1,0,0|2,0,0]=4 1074 B12R2.2028 O[C@H]1C[C@@H](c2c1cccc2)O 1P0289PZ [1,0,0,1,0,0|2,0,0]=4 1075 B12R2.2028 O[C@H]1C[C@H](c2c1cccc2)N 1P028VH9 [1,0,0,1,0,0|2,0,0]=4 1076 B12R2.2075 CC(c1ccccc1)C2OC2 1P01AMGS [1,0,0,1,0,0|2,0,0]=4 1077 B12R2.2075 NC(c1ccccc1)C2CC2 1P002NRQ [1,0,0,1,0,0|2,0,0]=4 1078 B12R2.2075 NC(c1ccccc1)C2CC2 1P003EQ4 [1,0,0,1,0,0|2,0,0]=4 1079 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P001HA8 [1,0,0,1,0,0|2,0,0]=4 1080 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P0074DQ [1,0,0,1,0,0|2,0,0]=4 1081 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00CLDI [1,0,0,1,0,0|2,0,0]=4 1082 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00G2TE [1,0,0,1,0,0|2,0,0]=4 1083 B12R2.2075 OC(c1ccccc1)C2CC2 1P00034H [1,0,0,1,0,0|1,0,0]=3 1084 B12R2.2075 OC(c1cccnc1)C2CC2 1P001O1P [1,0,0,1,0,0|2,0,0]=4 1085 B12R2.2075 O[C@@H](c1ccccc1)C2CC2 1P0286ZD [1,0,0,1,0,0|1,0,0]=3 1086 B12R2.2075 O[C@@H](c1ccccn1)C2CC2 1P01BEYI [1,0,0,1,0,0|2,0,0]=4 1087 B12R2.2075 O[C@@H](c1ccncc1)C2CC2 1P028E83 [1,0,0,1,0,0|2,0,0]=4 1088 B12R2.2075 O[C@H](c1ccccc1)C2CC2 1P028URA [1,0,0,1,0,0|1,0,0]=3 1089 B12R2.2075 O[C@H](c1ccccn1)C2CC2 1P01BEYH [1,0,0,1,0,0|2,0,0]=4 1090 B12R2.2075 O[C@H](c1ccncc1)C2CC2 1P028DWI [1,0,0,1,0,0|2,0,0]=4 1091 B12R2.2075 SC(c1ccccc1)C2CC2 1P01DVXH [1,0,0,1,0,0|1,1,0]=4 1092 B12R2.18 CC1C(C)Nc2c1cccc2 1P007Q06 [1,0,0,1,0,0|1,0,0]=3 1093 B12R2.18 CC1C(O)Cc2c1cccc2 1P019Z25 [1,0,0,1,0,0|2,0,0]=4 1094 B12R2.18 NC1C(C)Cc2c1cccc2 1P00CXTW [1,0,0,1,0,0|1,0,0]=3 1095 B12R2.18 NC1C(C)Cc2c1cccc2 1P01AI1J [1,0,0,1,0,0|1,0,0]=3 1096 B12R2.18 NC1C(C)Oc2c1cccc2 1P01BBXP [1,0,0,1,0,0|2,0,0]=4 1097 B12R2.18 NN1C(C)Cc2c1cccc2 1P0038JS [1,0,0,1,0,0|2,0,0]=4 1098 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P001U4O [1,0,0,1,0,0|2,0,0]=4 1099 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P01B2C3 [1,0,0,1,0,0|2,0,0]=4 1100 B12R2.18 N[C@@H]1[C@H](N)Cc2c1cccc2 1P028CYJ [1,0,0,1,0,0|1,0,0]=3 1101 B12R2.18 N[C@@H]1[C@H](O)Cc2c1cccc2 1P00737G [1,0,0,1,0,0|2,0,0]=4 1102 B12R2.18 N[C@H]1[C@H](C)Cc2c1cccc2 1P028AK2 [1,0,0,1,0,0|1,0,0]=3 1103 B12R2.18 N[C@H]1[C@H](O)Cc2c1cccc2 1P028096 [1,0,0,1,0,0|2,0,0]=4 1104 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [1,0,0,1,0,0|0,0,2]=4 1105 B12R2.18 O=C1C(N)Cc2c1cccc2 1P00FJCX [1,0,0,1,0,0|0,0,2]=4 1106 B12R2.18 O=C1Nc2c(C1O)cccc2 1P00EZKX [1,0,0,1,0,0|1,0,1]=4 1107 B12R2.18 OC1C(Br)Cc2c1cccc2 1P0033LI [1,0,0,1,0,0|1,0,0]=3 1108 B12R2.18 OC1C(F)Cc2c1cccc2 1P01C4KF [1,0,0,1,0,0|1,0,0]=3 1109 B12R2.18 O[C@@H]1[C@@H](Br)Cc2c1cccc2 1P01ALKM [1,0,0,1,0,0|1,0,0]=3 1110 B12R2.18 O[C@@H]1[C@H](Br)Cc2c1cccc2 1P0022PB [1,0,0,1,0,0|1,0,0]=3 1111 B12R2.18 O[C@H]1Cc2c([C@H]1[NH3+])cccc2 1P00HUWA [1,0,0,1,0,0|2,0,0]=4 1112 B12R2.18 O[C@H]1[C@@H](N)Cc2c1cccc2 1P00BDOK [1,0,0,1,0,0|0,0,0]=2 1113 B12R2.18 O[C@H]1[C@H](Br)Cc2c1cccc2 1P003VCM [1,0,0,1,0,0|1,0,0]=3 1114 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009E8J [1,0,0,1,0,0|0,0,0]=2 1115 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009WJE [1,0,0,1,0,0|0,0,0]=2 1116 B12R2.23 CC1CNC1c2ccccc2 1P019T2Z [1,0,0,1,0,0|1,0,0]=3 1117 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [1,0,0,1,0,0|1,0,0]=3 1118 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [1,0,0,1,0,0|0,0,0]=2 1119 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [1,0,0,1,0,0|1,0,1]=4 1120 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [1,0,0,1,0,0|2,0,0]=4 1121 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [1,0,0,1,0,0|1,0,0]=3 1122 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [1,0,0,1,0,0|2,0,0]=4 1123 B12R2.92 CC1(C)NC1c2ccccc2 1P00I4Z8 [1,0,0,1,0,0|1,0,0]=3 1124 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [1,0,0,1,0,0|0,0,0]=2 1125 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 1P01AMOG [1,0,0,1,0,0|1,0,0]=3 1126 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [1,0,0,1,0,0|2,0,0]=4 1127 B12R2.92 C[C@]1(N)C[C@@H]1c2ccccc2 1P028V4E [1,0,0,1,0,0|1,0,0]=3 1128 B12R2.3190 CC(C1Cc2c1cccc2)N 1P01A5WI [1,0,0,1,0,0|1,0,0]=3 1129 B12R2.11 CC1CC1Nc2ccccc2 1P01AM8S [1,0,0,1,0,0|2,0,0]=4 1130 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [1,0,0,1,0,0|2,0,0]=4 1131 B12R2.24 BrC1CCc2c(C1)cccc2 1P01AA0L [1,0,0,1,0,0|2,0,0]=4 1132 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [1,0,0,1,0,0|1,0,1]=4 1133 B12R2.24 CC1CCc2c(C1)cccn2 1P024XID [1,0,0,1,0,0|2,0,0]=4 1134 B12R2.24 CC1CCc2c(C1)nccc2 1P00PGYR [1,0,0,1,0,0|2,0,0]=4 1135 B12R2.24 CC1CCc2c(N1)cccc2 1P00266P [1,0,0,1,0,0|2,0,0]=4 1136 B12R2.24 CC1CNc2c(C1)cccc2 1P002J2Y [1,0,0,1,0,0|2,0,0]=4 1137 B12R2.24 CC1NCc2c(C1)nccc2 1P024ZMV [1,0,0,1,0,0|1,0,0]=3 1138 B12R2.24 CC1NCc2c(C1)nccc2 1P02933X [1,0,0,1,0,0|1,0,0]=3 1139 B12R2.24 CN1CCc2c(C1)cccc2 1P001SPY [1,0,0,1,0,0|2,0,0]=4 1140 B12R2.24 CN1CCc2c(C1)cccc2 1P00DJHF [1,0,0,1,0,0|2,0,0]=4 1141 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P01JVJO [1,0,0,1,0,0|0,0,0]=2 1142 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P02857A [1,0,0,1,0,0|0,0,0]=2 1143 B12R2.24 NC1CCc2c(C1)cccc2 1P00201L [1,0,0,1,0,0|2,0,0]=4 1144 B12R2.24 NC1CCc2c(C1)cccc2 1P002Z65 [1,0,0,1,0,0|2,0,0]=4 1145 B12R2.24 N[C@@H]1CCc2c(C1)cccc2 1P00389M [1,0,0,1,0,0|2,0,0]=4 1146 B12R2.24 N[C@H]1CCc2c(C1)cccc2 1P00I4PM [1,0,0,1,0,0|2,0,0]=4 1147 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [1,0,0,1,0,0|1,0,1]=4 1148 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [1,0,0,1,0,0|2,0,0]=4 1149 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [1,0,0,1,0,0|2,0,0]=4 1150 B12R2.24 SC1CCc2c(C1)cccc2 1P01AAN9 [1,0,0,1,0,0|2,0,0]=4 1151 B12R2.32 BrCC1Cc2c(C1)cccc2 1P00C715 [1,0,0,1,0,0|2,0,0]=4 1152 B12R2.32 C#CC1Cc2c(C1)cccc2 1P00ABX8 [1,0,0,1,0,0|1,0,1]=4 1153 B12R2.32 CNC1Cc2c(C1)cccc2 1P008T9L [1,0,0,1,0,0|0,0,0]=2 1154 B12R2.32 N#CC1Cc2c(C1)cccc2 1P002TQR [1,0,0,1,0,0|2,0,0]=4 1155 B12R2.32 NCC1Cc2c(C1)cccc2 1P0026Z3 [1,0,0,1,0,0|2,0,0]=4 1156 B12R2.32 O=CC1Cc2c(C1)cccc2 1P00C7D0 [1,0,0,1,0,0|2,0,0]=4 1157 B12R2.32 OCC1Cc2c(C1)cccc2 1P00DBQM [1,0,0,1,0,0|2,0,0]=4 1158 B12R2.37 CC1C(C1N)c2ccccc2 1P028KFB [1,0,0,1,0,0|2,0,0]=4 1159 B12R2.94 NC1(CC1)Cc2ccccc2 1P01ADMZ [1,0,0,1,0,0|2,0,0]=4 1160 B12R2.94 OC1(CC1)Cc2ccccc2 1P01AJWD [1,0,0,1,0,0|2,0,0]=4 1161 B12R2.2051 NCC1(C)Cc2c1cccc2 1P0292PX [1,0,0,1,0,0|2,0,0]=4 1162 B12R2.2058 C1CC(C1)Nc2ccccc2 1P019F77 [1,0,0,1,0,0|2,0,0]=4 1163 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [1,0,0,1,0,0|0,0,0]=2 1164 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [1,0,0,1,0,0|2,0,0]=4 1165 B14R2.8 CCC1COB(O1)c2ccccc2 1P01E72B [0,0,0,1,0,1|2,0,0]=4 1166 B14R2.8 CNC1=NOC(C1)c2ccccc2 1P027W1Z [0,0,0,1,0,1|1,0,1]=4 1167 B14R2.8 CNC1CCN(C1)c2ccccc2 1P027WWI [0,0,0,1,0,1|2,0,0]=4 1168 B14R2.8 ClCC1COC(O1)c2ccccc2 1P018YGG [0,0,0,1,0,1|2,0,0]=4 1169 B14R2.21 CC1CCCC(N1)c2ccccc2 1P019Z2O [0,0,0,1,0,1|2,0,0]=4 1170 B14R2.21 CC1CCOC(C1)c2ccccc2 1P0066PG [0,0,0,1,0,1|1,0,0]=3 1171 B14R2.21 CC1NCCC(C1)c2ccccc2 1P01B8DT [0,0,0,1,0,1|1,0,0]=3 1172 B14R2.21 CC1NCCN(C1)c2ccccc2 1P0063Y4 [0,0,0,1,0,1|2,0,0]=4 1173 B14R2.21 CC1NCCN(C1)c2ccccc2 1P0091DE [0,0,0,1,0,1|2,0,0]=4 1174 B14R2.21 C[C@@H]1NCCN(C1)c2ccccc2 1P0290PN [0,0,0,1,0,1|2,0,0]=4 1175 B14R2.21 NC1CCOC(C1)c2ccccc2 1P01ACKP [0,0,0,1,0,1|2,0,0]=4 1176 B14R2.21 OC1CCOC(C1)c2ccccc2 1P0010QV [0,0,0,1,0,1|2,0,0]=4 1177 B14R2.21 O[C@H]1CCO[C@H](C1)c2ccccc2 1P01BCPZ [0,0,0,1,0,1|2,0,0]=4 1178 B14R2.52 CC1NCc2c(N(C1)C)cccc2 1P019Z6H [0,0,0,1,0,1|2,0,0]=4 1179 B14R2.52 C[C@@H]1NCc2c(N(C1)C)cccc2 1P01BV91 [0,0,0,1,0,1|2,0,0]=4 1180 B14R2.794 NC(c1ccccc1)CC2CCC2 1P01A53U [0,0,0,1,0,1|2,0,0]=4 1181 B14R2.2950 CC1OCC(C1)(C)c2ccccc2 1P01FZNF [0,0,0,1,0,1|2,0,0]=4 1182 B14R2.30 CC1NCCC1Cc2ccccc2 1P019TW7 [0,0,0,1,0,1|1,0,0]=3 1183 B14R2.741 O=C1Nc2ccccc2CNC1C 1P01B62D [0,0,0,1,0,1|0,0,2]=4 1184 B14R2.972 CNC(C1Cc2c(O1)cccc2)C 1P01A1UK [0,0,0,1,0,1|0,0,0]=2 1185 B14R2.972 CNC(c1cc2c(o1)cccc2)C 1P019LM1 [0,0,0,1,0,1|0,0,1]=3 1186 B14R2.972 CNC(c1nc2c([nH]1)cccc2)C 1P021U1T [0,0,0,1,0,1|1,0,1]=4 1187 B14R2.972 CNC(c1nc2c(s1)cccc2)C 1P00IE35 [0,0,0,1,0,1|0,1,1]=4 1188 B14R2.972 CNC(c1nc2c(s1)cccc2)C 1P019NSR [0,0,0,1,0,1|0,1,1]=4 1189 B14R2.1128 COC1Cc2ccccc2NC1C 1P01AMBQ [0,0,0,1,0,1|2,0,0]=4 1190 B14R2.88 CCC1CC1(N)c2ccc(cc2)Cl 1P01B89L [0,1,0,1,0,0|2,0,0]=4 1191 B14R2.926 NC1CCOC1c2ccc(cc2)Cl 1P01A537 [0,1,0,1,0,0|2,0,0]=4 1192 B14R2.928 NC(c1ccc(cc1)Cl)C2CC2C 1P019SCB [0,1,0,1,0,0|2,0,0]=4 1193 B14R2.1095 CO[C@@H]1Cc2c([C@@H]1N)ccc(c2)Br 1P0281YA [0,1,0,1,0,0|2,0,0]=4 1194 B14R2.10606 NC(c1ccc(cc1)Br)C2CCC2 1P00IMDU [0,1,0,1,0,0|2,0,0]=4 1195 B14R2.10606 NC(c1ccc(cc1)Cl)C2CCC2 1P01ABCN [0,1,0,1,0,0|2,0,0]=4 1196 B14R2.10606 NC(c1ccc(cc1)F)C2CCC2 1P01ABBK [0,1,0,1,0,0|2,0,0]=4 1197 B14R2.10606 NC(c1ccc(cc1)F)C2CCC2 1P024MVU [0,1,0,1,0,0|2,0,0]=4 1198 B14R2.10606 OC(c1ccc(cc1)Br)C2CCC2 1P00HGS4 [0,1,0,1,0,0|1,0,0]=3 1199 B14R2.29369 N[C@@H]1CCc2c([C@H]1O)ccc(c2)Br 1P028N6J [0,1,0,1,0,0|2,0,0]=4 1200 B14R2.269 CC1CCNC1c2cccc(c2)F 1P019TR8 [0,1,0,1,0,0|2,0,0]=4 1201 B14R2.269 CC1CCNC1c2cccc(c2)F 1P027VM8 [0,1,0,1,0,0|2,0,0]=4 1202 B14R2.1038 CCC1CC1(N)c2cccc(c2)C 1P01B856 [0,1,0,1,0,0|2,0,0]=4 1203 B14R2.8038 CC1CCc2c(C1N)cccc2F 1P01AJQ0 [0,1,0,1,0,0|2,0,0]=4 1204 B14R2.29767 Brc1cccc(c1)C(C2CCC2)N 1P027UXD [0,1,0,1,0,0|2,0,0]=4 1205 B14R2.24 CC1CCNCC1c2ccccc2 1P01BISY [0,1,0,1,0,0|2,0,0]=4 1206 B14R2.24 CC1CNCCC1c2ccccc2 1P019S8Q [0,1,0,1,0,0|1,0,0]=3 1207 B14R2.24 CC1CNCCN1c2ccccc2 1P002YWK [0,1,0,1,0,0|2,0,0]=4 1208 B14R2.24 CC1SCCNC1c2ccccc2 1P01AJWA [0,1,0,1,0,0|2,0,0]=4 1209 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 1P02805V [0,1,0,1,0,0|2,0,0]=4 1210 B14R2.24 F[C@@H]1CNCC[C@H]1c2ccccc2 1P027X34 [0,1,0,1,0,0|2,0,0]=4 1211 B14R2.24 O[C@@H]1CNCC[C@@H]1c2ccccc2 1P02912D [0,1,0,1,0,0|2,0,0]=4 1212 B14R2.24 O[C@@H]1CNCC[C@H]1c2ccccc2 1P028SG9 [0,1,0,1,0,0|2,0,0]=4 1213 B14R2.24 O[C@H]1CNCC[C@@H]1c2ccccc2 1P024SC5 [0,1,0,1,0,0|2,0,0]=4 1214 B14R2.114 CC(c1ccccc1)C2CNCC2 1P01FKNS [0,1,0,1,0,0|1,0,0]=3 1215 B14R2.114 CN(c1ccccc1)C2CNCC2 1P01A5IG [0,1,0,1,0,0|2,0,0]=4 1216 B14R2.114 NC(c1ccccc1)C2CCCC2 1P002NRR [0,1,0,1,0,0|2,0,0]=4 1217 B14R2.114 NC(c1ccccc1)C2CCCC2 1P00BI7X [0,1,0,1,0,0|2,0,0]=4 1218 B14R2.114 NC(c1ccccc1)C2CCCO2 1P00H47K [0,1,0,1,0,0|2,0,0]=4 1219 B14R2.114 NC(c1ccccc1)C2COCC2 1P01A4NZ [0,1,0,1,0,0|2,0,0]=4 1220 B14R2.114 N[C@@H](c1ccccc1)C2CCCC2 1P009IUX [0,1,0,1,0,0|2,0,0]=4 1221 B14R2.114 O=C(c1ccccc1)C2CCCN2 1P00A9JB [0,1,0,1,0,0|0,0,2]=4 1222 B14R2.114 O=C(c1ccccc1)C2CNCC2 1P00BGM0 [0,1,0,1,0,0|0,0,2]=4 1223 B14R2.114 OC(c1ccccc1)C2CCCC2 1P00DBGW [0,1,0,1,0,0|1,0,0]=3 1224 B14R2.114 OC(c1ccccc1)C2CCCN2 1P01C0NE [0,1,0,1,0,0|0,0,0]=2 1225 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 1P023L9S [0,1,0,1,0,0|0,0,0]=2 1226 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 1P01B7DZ [0,1,0,1,0,0|0,0,0]=2 1227 B14R2.279 CC1CCCc2c(C1N)cccc2 1P01ACI2 [0,1,0,1,0,0|2,0,0]=4 1228 B14R2.422 OC(c1ccccc1)C2CC(=C)C2 1P0287KR [0,1,0,1,0,0|1,0,1]=4 1229 B14R2.598 CC1NC(CC1c2ccccc2)C 1P019Q80 [0,1,0,1,0,0|1,0,0]=3 1230 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1c2ccccc2 1P001TO4 [0,1,0,1,0,0|0,0,1]=3 1231 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 1P003CDN [0,1,0,1,0,0|0,0,1]=3 1232 B14R2.598 NC1CN(CC1c2ccccc2)C 1P019UKH [0,1,0,1,0,0|2,0,0]=4 1233 B14R2.15692 NC(C1(O)CCC1)c2ccccc2 1P009I1L [0,1,0,1,0,0|2,0,0]=4 1234 B14R2.14 CCC1CNCC1c2ccccc2 1P028X51 [0,1,0,1,0,0|2,0,0]=4 1235 B14R2.14 CNC1CCCC1c2ccccc2 1P01A5U2 [0,1,0,1,0,0|1,0,0]=3 1236 B14R2.14 CO[C@@H]1CCN[C@@H]1c2ccccc2 1P028F3R [0,1,0,1,0,0|2,0,0]=4 1237 B14R2.14 NCC1CCCC1c2ccccc2 1P01APLE [0,1,0,1,0,0|2,0,0]=4 1238 B14R2.14 NCC1CCCC1c2ccccc2 1P01APLF [0,1,0,1,0,0|2,0,0]=4 1239 B14R2.14 NC[C@@H]1CCO[C@H]1c2ccccc2 1P01BS1A [0,1,0,1,0,0|1,0,0]=3 1240 B14R2.14 OCC1CCOC1c2ccccc2 1P01AD6U [0,1,0,1,0,0|1,0,0]=3 1241 B14R2.14 OC[C@@H]1CCN[C@@H]1c2ccccc2 1P027VN5 [0,1,0,1,0,0|2,0,0]=4 1242 B14R2.92 COC1COc2c(C1N)cccc2 1P01EIPA [0,1,0,1,0,0|2,0,0]=4 1243 B14R2.92 CO[C@@H]1CCc2c([C@H]1N)cccc2 1P0282YP [0,1,0,1,0,0|2,0,0]=4 1244 B14R2.92 OCC1CCc2c(C1N)cccc2 1P01BDRD [0,1,0,1,0,0|2,0,0]=4 1245 B14R2.92 OC[C@@H]1CCc2c([C@@H]1N)cccc2 1P0287KL [0,1,0,1,0,0|2,0,0]=4 1246 B14R2.3469 NCC1(CC1)C(c2ccccc2)O 1P01A2DQ [0,1,0,1,0,0|1,0,0]=3 1247 B14R2.786 OC(=O)C1(C)OC1c2ccccc2 1P00Q3T9 [0,1,0,1,0,0|2,0,0]=4 1248 B14R2.786 OC(=O)C1(C)OC1c2ccccc2 1P01EQ0Q [0,1,0,1,0,0|2,0,0]=4 1249 B14R2.333 CC1(C)NCCC1c2ccccc2 1P01C44G [0,1,0,1,0,0|1,0,0]=3 1250 B14R2.6175 NC1c2ccccc2CCC1(C)C 1P01A2P2 [0,1,0,1,0,0|2,0,0]=4 1251 B14R2.6180 OC1c2ccccc2C(=O)C1(C)C 1P00EZ35 [0,1,0,1,0,0|2,0,0]=4 1252 B14R2.1129 CN[C@@H]1Cc2c([C@@H]1NC)cccc2 1P028UFZ [0,1,0,1,0,0|1,0,0]=3 1253 B14R2.1129 CN[C@@H]1Cc2c([C@@H]1OC)cccc2 1P028CJ8 [0,1,0,1,0,0|0,0,0]=2 1254 B14R2.1129 CO[C@H]1Cc2c([C@@H]1NC)cccc2 1P028CP9 [0,1,0,1,0,0|2,0,0]=4 1255 B14R2.2850 BrCC(c1ccccc1)C2CCC2 1P028B9H [0,1,0,1,0,0|2,0,0]=4 1256 B14R2.2850 NCC(c1ccccc1)C2CCC2 1P01XGLH [0,1,0,1,0,0|2,0,0]=4 1257 B14R2.2850 O=CC(c1ccccc1)C2CCC2 1P023ZW0 [0,1,0,1,0,0|1,0,1]=4 1258 B14R2.2850 OCC(c1ccccc1)C2CCC2 1P02867H [0,1,0,1,0,0|1,0,0]=3 1259 B14R2.2861 COC(C1(N)CC1)c2ccccc2 1P0282N1 [0,1,0,1,0,0|2,0,0]=4 1260 B14R2.21545 NC(c1ccccc1Br)C2CCC2 1P027UU7 [0,1,0,1,0,0|2,0,0]=4 1261 B14R3.44 c1ccc(cc1)[C@H]2NC[C@@H]3[C@H]2C3 1P028IKR [0,0,0,2,0,0|2,0,0]=4 1262 B14R3.52 c1ccc2c(c1)[C@@H]3NC[C@@H]3CC2 1P028IY1 [0,0,0,2,0,0|2,0,0]=4 1263 B14R3.453 NC1c2ccccc2CC13CC3 1P028HOO [0,0,0,2,0,0|2,0,0]=4 1264 B14R3.15335 OC(C12CN1C2)c3ccccc3 1P028TEV [0,0,0,2,0,0|0,0,0]=2 1265 B10R1.11 CCCC(c1cccs1)O 1P01EUTS [1,0,0,0,1,0|2,0,0]=4 1266 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [1,0,0,0,1,0|1,0,0]=3 1267 B10R1.11 CNCC(c1cscc1)O 1P024MCV [1,0,0,0,1,0|1,0,0]=3 1268 B10R1.23 CC(C(c1cccs1)N)C 1P00D9Y8 [1,0,0,0,1,0|2,0,0]=4 1269 B10R1.23 CC(C(c1ncc[nH]1)O)C 1P0285HW [1,0,0,0,1,0|2,0,0]=4 1270 B10R1.27 CC(NC)Cc1cncs1 1P028BD4 [1,0,0,0,1,0|2,0,0]=4 1271 B10R1.27 CNC(Cc1c[nH]nc1)C 1P0281AS [1,0,0,0,1,0|2,0,0]=4 1272 B10R1.27 CNC(Cc1cscc1)C 1P019U95 [1,0,0,0,1,0|1,0,0]=3 1273 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [1,0,0,0,0,1|2,0,0]=4 1274 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [1,0,0,0,0,1|2,0,0]=4 1275 B12R1.27 CCC(CNc1ccccc1)N 1P01APH0 [1,0,0,0,0,1|2,0,0]=4 1276 B12R1.27 CCC(CNc1ccccc1)O 1P01A8V7 [1,0,0,0,0,1|2,0,0]=4 1277 B12R1.27 CCC(COc1ccccc1)N 1P00BOHB [1,0,0,0,0,1|2,0,0]=4 1278 B12R1.27 CCC(NCc1ccccc1)C 1P019OAH [1,0,0,0,0,1|1,0,0]=3 1279 B12R1.27 CCC(NCc1ccccn1)C 1P00J4EV [1,0,0,0,0,1|2,0,0]=4 1280 B12R1.27 CCC(NCc1cccnc1)C 1P00J4IE [1,0,0,0,0,1|2,0,0]=4 1281 B12R1.27 CCC(NCc1ccncc1)C 1P00J4G6 [1,0,0,0,0,1|2,0,0]=4 1282 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [1,0,0,0,0,1|1,0,1]=4 1283 B12R1.27 CNC(=O)CSc1ccccc1 1P01C2IN [1,0,0,0,0,1|1,0,1]=4 1284 B12R1.27 CNC(=O)OCc1ccccc1 1P00BG3C [1,0,0,0,0,1|1,0,1]=4 1285 B12R1.27 CNC(CSc1ccccc1)C 1P01C3CH [1,0,0,0,0,1|0,0,0]=2 1286 B12R1.27 CNC(CSc1ccccc1)C 1P01C5OD [1,0,0,0,0,1|0,0,0]=2 1287 B12R1.27 NCC(COc1ccccc1)C 1P027UPS [1,0,0,0,0,1|2,0,0]=4 1288 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [1,0,0,0,0,1|2,0,0]=4 1289 B12R1.27 NCC(SCc1ccccc1)C 1P01EILD [1,0,0,0,0,1|2,0,0]=4 1290 B12R1.27 NC[C@@H](NCc1ccccc1)C 1P01BE91 [1,0,0,0,0,1|2,0,0]=4 1291 B12R1.27 NNC(COc1ccccc1)C 1P01BCUE [1,0,0,0,0,1|1,0,0]=3 1292 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [1,0,0,0,0,1|2,0,0]=4 1293 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [1,0,0,0,0,1|2,0,0]=4 1294 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [1,0,0,0,0,1|2,0,0]=4 1295 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [1,0,0,0,0,1|2,0,0]=4 1296 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [1,0,0,0,0,1|2,0,0]=4 1297 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [1,0,0,0,0,1|2,0,0]=4 1298 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [1,0,0,0,0,1|2,0,0]=4 1299 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [1,0,0,0,0,1|2,0,0]=4 1300 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [1,0,0,0,0,1|2,0,0]=4 1301 B14R1.163 OCC(NCC(c1ccccc1)O)C 1P01AGDS [0,0,0,0,0,2|2,0,0]=4 1302 B14R1.756 COC([C@@H](NCc1ccccc1)C)C 1P01ADK8 [0,0,0,0,0,2|2,0,0]=4