0 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [0,0,0,0,0,0|1,0,2]=3 1 B10R1.18 BrC(=Cc1ccccc1)Br 1P003C10 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [0,0,0,0,0,0|1,0,1]=2 3 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [0,0,0,0,0,0|2,0,1]=3 9 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 CC(=O)Cc1cnccn1 1P005PPF [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 CC(=O)Nc1ccccn1 1P003GRA [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 CC(=O)Nc1cccnc1 1P003J9F [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 CC(=O)Nc1ccncc1 1P00DD6H [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [0,0,0,0,0,0|2,0,1]=3 16 B10R1.18 CC(=O)Oc1cccnc1 1P0025SK [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [0,0,0,0,0,0|2,0,1]=3 18 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [0,0,0,0,0,0|2,0,1]=3 19 B10R1.18 CC(CC1=CCCCC1)N 1P028WJK [0,0,0,0,0,0|0,0,4]=4 20 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [0,0,0,0,0,0|1,0,0]=1 22 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,0,0,0,0,0|1,0,0]=1 23 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [0,0,0,0,0,0|2,0,0]=2 24 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [0,0,0,0,0,0|2,0,0]=2 26 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,0,0,0,0,0|2,0,0]=2 27 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,0,0,0,0,0|2,0,0]=2 29 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [0,0,0,0,0,0|2,0,0]=2 30 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [0,0,0,0,0,0|2,0,0]=2 32 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [0,0,0,0,0,0|2,0,0]=2 33 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [0,0,0,0,0,0|3,0,0]=3 34 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [0,0,0,0,0,0|2,0,0]=2 35 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [0,0,0,0,0,0|3,0,0]=3 36 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.18 CC(Nc1cccnn1)C 1P00A0MP [0,0,0,0,0,0|4,0,0]=4 38 B10R1.18 CC(Nc1ncccn1)C 1P007434 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [0,0,0,0,0,0|2,0,0]=2 40 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.18 CC(Oc1ccncc1)C 1P00DC8D [0,0,0,0,0,0|3,0,0]=3 43 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [0,0,0,0,0,0|2,0,1]=3 44 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [0,0,0,0,0,0|2,0,0]=2 45 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [0,0,0,0,0,0|2,0,0]=2 46 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [0,0,0,0,0,0|3,0,0]=3 47 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [0,0,0,0,0,0|3,0,0]=3 48 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [0,0,0,0,0,0|3,0,0]=3 49 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [0,0,0,0,0,0|2,0,0]=2 50 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,0,0,0,0,0|1,0,0]=1 51 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,0,0,0,0,0|1,0,0]=1 52 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [0,0,0,0,0,0|1,1,0]=2 53 B10R1.18 ClC(=Cc1ccccc1)Cl 1P00FH9O [0,0,0,0,0,0|2,0,2]=4 54 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [0,0,0,0,0,0|2,0,1]=3 55 B10R1.18 ClC(=O)Nc1ccccc1 1P01B2IA [0,0,0,0,0,0|3,0,1]=4 56 B10R1.18 ClC(=S)Oc1ccccc1 1P0002M7 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.18 ClC(=S)Sc1ccccc1 1P001YYN [0,0,0,0,0,0|3,0,1]=4 58 B10R1.18 ClC([SiH2]c1ccccc1)Cl 1P001LSR [0,0,0,0,0,0|2,1,0]=3 59 B10R1.18 FC(Oc1ccccc1)F 1P0032NU [0,0,0,0,0,0|3,0,0]=3 60 B10R1.18 FC(Oc1cccnc1)F 1P019XOW [0,0,0,0,0,0|4,0,0]=4 61 B10R1.18 FC(Sc1ccccc1)F 1P00B00G [0,0,0,0,0,0|3,0,0]=3 62 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,0,0,0,0,0|1,0,1]=2 63 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [0,0,0,0,0,0|2,0,1]=3 64 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [0,0,0,0,0,0|2,0,1]=3 66 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [0,0,0,0,0,0|2,0,1]=3 67 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [0,0,0,0,0,0|2,0,1]=3 68 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [0,0,0,0,0,0|2,0,1]=3 69 B10R1.18 NC(=N)Nc1cccnc1 1P02804D [0,0,0,0,0,0|3,0,1]=4 70 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [0,0,0,0,0,0|2,0,1]=3 71 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,0,0,0,0,0|1,0,1]=2 72 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,0,0,0,0,0|2,0,1]=3 73 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,0,0,0,0,0|2,0,1]=3 75 B10R1.18 NC(=O)Cc1cncnc1 1P00E15B [0,0,0,0,0,0|3,0,1]=4 76 B10R1.18 NC(=O)Cc1ncccn1 1P00171T [0,0,0,0,0,0|3,0,1]=4 77 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [0,0,0,0,0,0|2,0,1]=3 78 B10R1.18 NC(=O)Nc1ccccn1 1P000W31 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.18 NC(=O)Nc1cccnc1 1P000W30 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.18 NC(=O)Nc1ccncc1 1P0011DS [0,0,0,0,0,0|3,0,1]=4 81 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [0,0,0,0,0,0|2,0,1]=3 82 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,0,0,0,0,0|1,0,1]=2 83 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [0,0,0,0,0,0|2,0,1]=3 84 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.18 NC(=S)Nc1ccccn1 1P003BQD [0,0,0,0,0,0|3,0,1]=4 86 B10R1.18 NC(=S)Nc1cccnc1 1P003KD0 [0,0,0,0,0,0|3,0,1]=4 87 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.18 OC(=O)C[n+]1ccccc1 1P01EUQ6 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.18 OC(=O)Cc1ccccn1 1P001WD0 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.18 OC(=O)Cc1cccnc1 1P00348U [0,0,0,0,0,0|3,0,1]=4 93 B10R1.18 OC(=O)Cc1cccnc1 1P00I9F0 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.18 OC(=O)Cc1ccncc1 1P0034LT [0,0,0,0,0,0|3,0,1]=4 95 B10R1.18 OC(=O)Cc1ccncc1 1P00BCK4 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.18 OC(=O)Nc1ccccc1 1P007CT0 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [0,0,0,0,0,0|3,0,0]=3 98 B10R1.18 [O-]C(=O)C[n+]1ccccc1 1P00EKK8 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [0,0,0,0,0,0|3,0,0]=3 100 B10R1.18 [O-][N+](=Cc1ccccc1)C 1P007JA1 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [0,0,0,0,0,0|3,0,0]=3 102 B10R1.18 [O-]\[N+](=C/c1ccncc1)\C 1P01DL2Z [0,0,0,0,0,0|3,0,1]=4 103 B9R1.8 BrC#Cc1ccccc1 1P00GZ49 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.8 BrCCc1ccccc1 1P003EKU [1,0,0,0,0,0|1,0,0]=2 105 B9R1.8 BrCCc1ccccn1 1P0033B6 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 BrCCc1cccnc1 1P00CJF9 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.8 BrCCc1ccncc1 1P01BGQT [1,0,0,0,0,0|2,0,0]=3 108 B9R1.8 BrCCc1cnccn1 1P01DYXQ [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 Br\C=C\c1ccccc1 1P003OMN [1,0,0,0,0,0|1,0,2]=4 110 B9R1.8 C=CCc1ccccc1 1P003O6X [1,0,0,0,0,0|0,0,2]=3 111 B9R1.8 C=CCc1cccnc1 1P005DFA [1,0,0,0,0,0|1,0,2]=4 112 B9R1.8 C=COc1ccccc1 1P005W2F [1,0,0,0,0,0|1,0,2]=4 113 B9R1.8 C=CSc1ccccc1 1P0023XU [1,0,0,0,0,0|1,0,2]=4 114 B9R1.8 CC#Cc1ccccc1 1P000515 [1,0,0,0,0,0|0,0,2]=3 115 B9R1.8 CCC[n+]1ccccc1 1P002N7W [1,0,0,0,0,0|1,0,0]=2 116 B9R1.8 CCCc1ccccc1 1P003UGP [1,0,0,0,0,0|0,0,0]=1 117 B9R1.8 CCCc1ccccn1 1P003IDJ [1,0,0,0,0,0|1,0,0]=2 118 B9R1.8 CCCc1cccnc1 1P00DG48 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.8 CCCc1cccnn1 1P01ANOM [1,0,0,0,0,0|2,0,0]=3 120 B9R1.8 CCCc1ccncc1 1P003MH0 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.8 CCCc1cnccn1 1P003BQC [1,0,0,0,0,0|2,0,0]=3 122 B9R1.8 CCN=c1cccn[nH]1 1P00FI4Q [1,0,0,0,0,0|3,0,0]=4 123 B9R1.8 CCNc1ccccc1 1P0035UD [1,0,0,0,0,0|1,0,0]=2 124 B9R1.8 CCNc1ccccn1 1P003FIU [1,0,0,0,0,0|2,0,0]=3 125 B9R1.8 CCNc1cccnc1 1P00CN8W [1,0,0,0,0,0|2,0,0]=3 126 B9R1.8 CCNc1ccncc1 1P00I7EH [1,0,0,0,0,0|2,0,0]=3 127 B9R1.8 CCNc1ccnnc1 1P01BTY6 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.8 CCNc1cnccn1 1P00F7WN [1,0,0,0,0,0|3,0,0]=4 129 B9R1.8 CCNc1cncnc1 1P01DWEC [1,0,0,0,0,0|3,0,0]=4 130 B9R1.8 CCNc1ncccn1 1P00FGHQ [1,0,0,0,0,0|3,0,0]=4 131 B9R1.8 CCOc1ccccc1 1P003U4U [1,0,0,0,0,0|1,0,0]=2 132 B9R1.8 CCOc1ccccn1 1P001L8A [1,0,0,0,0,0|2,0,0]=3 133 B9R1.8 CCOc1cccnc1 1P00ANFG [1,0,0,0,0,0|2,0,0]=3 134 B9R1.8 CCOc1cccnn1 1P003HNA [1,0,0,0,0,0|3,0,0]=4 135 B9R1.8 CCOc1ccncc1 1P00C0Z1 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.8 CCSc1ccccc1 1P003QX8 [1,0,0,0,0,0|1,0,0]=2 137 B9R1.8 CCSc1ccccn1 1P002EQQ [1,0,0,0,0,0|2,0,0]=3 138 B9R1.8 CNCc1ccccc1 1P0035T0 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.8 CNCc1ccccn1 1P002L6V [1,0,0,0,0,0|2,0,0]=3 140 B9R1.8 CNCc1ccccn1 1P00H9TS [1,0,0,0,0,0|2,0,0]=3 141 B9R1.8 CNCc1cccnc1 1P003IN0 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.8 CNCc1cccnc1 1P00JLQD [1,0,0,0,0,0|2,0,0]=3 143 B9R1.8 CNCc1cccnn1 1P01B717 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.8 CNCc1ccncc1 1P003TOO [1,0,0,0,0,0|2,0,0]=3 145 B9R1.8 CNCc1ccncc1 1P009DU1 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.8 CNCc1ccncn1 1P00J3UF [1,0,0,0,0,0|3,0,0]=4 147 B9R1.8 CNCc1cnccn1 1P0081AR [1,0,0,0,0,0|3,0,0]=4 148 B9R1.8 CNCc1cncnc1 1P00E7RF [1,0,0,0,0,0|3,0,0]=4 149 B9R1.8 CNCc1cncnc1 1P01C5YL [1,0,0,0,0,0|3,0,0]=4 150 B9R1.8 CNCc1ncccn1 1P007VAV [1,0,0,0,0,0|3,0,0]=4 151 B9R1.8 CNCc1ncccn1 1P00ILX1 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 CNCc1ncccn1 1P01DIF5 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.8 CNNc1ccccc1 1P00H3DS [1,0,0,0,0,0|2,0,0]=3 154 B9R1.8 COCc1ccccc1 1P003OL0 [1,0,0,0,0,0|1,0,0]=2 155 B9R1.8 COCc1ccccn1 1P002O7L [1,0,0,0,0,0|2,0,0]=3 156 B9R1.8 COCc1ccncc1 1P00FGIA [1,0,0,0,0,0|2,0,0]=3 157 B9R1.8 CSCc1ccccc1 1P003OL2 [1,0,0,0,0,0|1,0,0]=2 158 B9R1.8 CSCc1ccccn1 1P00K0NO [1,0,0,0,0,0|2,0,0]=3 159 B9R1.8 CSCc1cccnc1 1P01DX2J [1,0,0,0,0,0|2,0,0]=3 160 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [1,0,0,0,0,0|0,0,2]=3 161 B9R1.8 C\C=C\c1ccccc1 1P003VFF [1,0,0,0,0,0|0,0,2]=3 162 B9R1.8 C\N=C\c1ccccc1 1P003T8J [1,0,0,0,0,0|1,0,1]=3 163 B9R1.8 ClCCc1ccccc1 1P0032NZ [1,0,0,0,0,0|1,0,0]=2 164 B9R1.8 ClCCc1ccccn1 1P00AQES [1,0,0,0,0,0|2,0,0]=3 165 B9R1.8 ClCCc1ccccn1 1P00CB7K [1,0,0,0,0,0|2,0,0]=3 166 B9R1.8 ClCCc1cccnc1 1P00CLVG [1,0,0,0,0,0|2,0,0]=3 167 B9R1.8 ClCCc1ccncc1 1P00G7HW [1,0,0,0,0,0|2,0,0]=3 168 B9R1.8 ClCSc1ccccc1 1P003PAU [1,0,0,0,0,0|2,0,0]=3 169 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [1,0,0,0,0,0|1,1,0]=3 170 B9R1.8 IC#Cc1ccccc1 1P006HO6 [1,0,0,0,0,0|1,0,2]=4 171 B9R1.8 ICCc1ccccc1 1P001ZMC [1,0,0,0,0,0|1,0,0]=2 172 B9R1.8 ICCc1cccnc1 1P01APKH [1,0,0,0,0,0|2,0,0]=3 173 B9R1.8 N#CC[n+]1ccccc1 1P003SUV [1,0,0,0,0,0|1,0,2]=4 174 B9R1.8 N#CC[n+]1ccccc1 1P01EYAJ [1,0,0,0,0,0|1,0,2]=4 175 B9R1.8 N#CCc1ccccn1 1P0033WF [1,0,0,0,0,0|1,0,2]=4 176 B9R1.8 N#CCc1cccnc1 1P003FL3 [1,0,0,0,0,0|1,0,2]=4 177 B9R1.8 N#CCc1ccncc1 1P000W7U [1,0,0,0,0,0|1,0,2]=4 178 B9R1.8 N#CCc1ccncc1 1P003MHC [1,0,0,0,0,0|1,0,2]=4 179 B9R1.8 N#CNc1ccccc1 1P00F3HT [1,0,0,0,0,0|1,0,2]=4 180 B9R1.8 N#COc1ccccc1 1P003U5M [1,0,0,0,0,0|1,0,2]=4 181 B9R1.8 N#CSc1ccccc1 1P00E15Y [1,0,0,0,0,0|1,0,2]=4 182 B9R1.8 NCCc1ccccc1 1P001OVX [1,0,0,0,0,0|0,0,0]=1 183 B9R1.8 NCCc1ccccc1 1P00AL3F [1,0,0,0,0,0|0,0,0]=1 184 B9R1.8 NCCc1ccccn1 1P0033BC [1,0,0,0,0,0|1,0,0]=2 185 B9R1.8 NCCc1cccnc1 1P0031LS [1,0,0,0,0,0|1,0,0]=2 186 B9R1.8 NCCc1cccnc1 1P007RI3 [1,0,0,0,0,0|1,0,0]=2 187 B9R1.8 NCCc1cccnc1 1P00G4HF [1,0,0,0,0,0|1,0,0]=2 188 B9R1.8 NCCc1ccncc1 1P0011CE [1,0,0,0,0,0|1,0,0]=2 189 B9R1.8 NCCc1ccncc1 1P00EB7D [1,0,0,0,0,0|1,0,0]=2 190 B9R1.8 NCCc1ccncn1 1P00G8NQ [1,0,0,0,0,0|2,0,0]=3 191 B9R1.8 NCCc1ccnnc1 1P01FJWH [1,0,0,0,0,0|2,0,0]=3 192 B9R1.8 NCCc1cnccn1 1P00D8UG [1,0,0,0,0,0|2,0,0]=3 193 B9R1.8 NCCc1cnccn1 1P00HZ0H [1,0,0,0,0,0|2,0,0]=3 194 B9R1.8 NCCc1cncnc1 1P00G7HI [1,0,0,0,0,0|2,0,0]=3 195 B9R1.8 NCCc1cncnc1 1P01B7EM [1,0,0,0,0,0|2,0,0]=3 196 B9R1.8 NCCc1ncccn1 1P00IKQC [1,0,0,0,0,0|2,0,0]=3 197 B9R1.8 NNCc1ccccc1 1P002AS6 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.8 NNCc1ccccc1 1P003OLM [1,0,0,0,0,0|1,0,0]=2 199 B9R1.8 NNCc1ccccc1 1P00VUSV [1,0,0,0,0,0|1,0,0]=2 200 B9R1.8 NNCc1ccccn1 1P00BJY5 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.8 NNCc1ccccn1 1P00IG9V [1,0,0,0,0,0|2,0,0]=3 202 B9R1.8 NNCc1cccnc1 1P0033XM [1,0,0,0,0,0|2,0,0]=3 203 B9R1.8 NNCc1cccnc1 1P00EM3P [1,0,0,0,0,0|2,0,0]=3 204 B9R1.8 NNCc1cccnc1 1P00FT0X [1,0,0,0,0,0|2,0,0]=3 205 B9R1.8 NNCc1ccncc1 1P00GVVL [1,0,0,0,0,0|2,0,0]=3 206 B9R1.8 NNCc1cnccn1 1P0080ZM [1,0,0,0,0,0|3,0,0]=4 207 B9R1.8 NNCc1cnccn1 1P00H0K1 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.8 NNCc1cncnc1 1P00HX2E [1,0,0,0,0,0|3,0,0]=4 209 B9R1.8 NOCc1ccccc1 1P0035W0 [1,0,0,0,0,0|1,0,0]=2 210 B9R1.8 NOCc1ccccc1 1P003TWF [1,0,0,0,0,0|1,0,0]=2 211 B9R1.8 NOCc1ccccn1 1P01C2PM [1,0,0,0,0,0|2,0,0]=3 212 B9R1.8 NOCc1cccnc1 1P00I7X0 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [1,0,0,0,0,0|1,0,1]=3 214 B9R1.8 O=CCc1ccccc1 1P00170M [1,0,0,0,0,0|1,0,1]=3 215 B9R1.8 O=CNc1ccccc1 1P003R5D [1,0,0,0,0,0|2,0,1]=4 216 B9R1.8 O=COc1ccccc1 1P0035XN [1,0,0,0,0,0|2,0,1]=4 217 B9R1.8 O=S=Nc1ccccc1 1P003TUI [1,0,0,0,0,0|3,0,0]=4 218 B9R1.8 OCCc1ccccc1 1P0033W3 [1,0,0,0,0,0|1,0,0]=2 219 B9R1.8 OCCc1ccccn1 1P0038HY [1,0,0,0,0,0|2,0,0]=3 220 B9R1.8 OCCc1cccnc1 1P003FB1 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.8 OCCc1ccncc1 1P003FL5 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.8 OCCc1ccncc1 1P00CHZZ [1,0,0,0,0,0|2,0,0]=3 223 B9R1.8 OCCc1ccncn1 1P005N7W [1,0,0,0,0,0|3,0,0]=4 224 B9R1.8 OCCc1cnccn1 1P003F8L [1,0,0,0,0,0|3,0,0]=4 225 B9R1.8 OCCc1cncnc1 1P008CL3 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.8 OCCc1ncccn1 1P000AX7 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.8 ONCc1ccccc1 1P002ZBQ [1,0,0,0,0,0|2,0,0]=3 228 B9R1.8 ONCc1ccccc1 1P003920 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.8 O\N=C/c1ccccc1 1P00EASV [1,0,0,0,0,0|2,0,1]=4 230 B9R1.8 O\N=C\c1ccccc1 1P003OH6 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.8 S=C=Nc1ccccc1 1P003RMC [1,0,0,0,0,0|2,0,1]=4 232 B9R1.8 SCCc1ccccc1 1P00DCX2 [1,0,0,0,0,0|1,0,0]=2 233 B9R1.8 SCCc1ccccn1 1P0029Y7 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.8 SCCc1ccncc1 1P003MH7 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.8 SCCc1cnccn1 1P003C4B [1,0,0,0,0,0|3,0,0]=4 236 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [1,0,0,0,0,0|1,0,1]=3 237 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.8 [C-]#[N+]Cc1ccncc1 1P00EBP6 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.8 [CH2-]\C=C\c1ccccc1 1P0035WW [1,0,0,0,0,0|0,0,3]=4 240 B9R1.8 [Cu]C#Cc1ccccc1 1P000WOP [1,0,0,0,0,0|1,0,2]=4 241 B9R1.8 [N-]=[N+]=Cc1ccccc1 1P008PXQ [1,0,0,0,0,0|1,0,2]=4 242 B9R1.8 [N-]=[N+]=Nc1ccccc1 1P003OEN [1,0,0,0,0,0|2,0,1]=4 243 B11R1.20 CC(=O)Cc1ccc(cc1)C 1P002KSA [0,1,0,0,0,0|1,0,1]=3 244 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1P003LOO [0,1,0,0,0,0|1,0,1]=3 245 B11R1.20 CC(=O)Cc1ccc(cc1)F 1P003LWP [0,1,0,0,0,0|1,0,1]=3 246 B11R1.20 CC(=O)Cc1ccc(cc1)O 1P003M0E [0,1,0,0,0,0|1,0,1]=3 247 B11R1.20 CC(=O)Cc1ccc(cn1)C 1P005NKC [0,1,0,0,0,0|2,0,1]=4 248 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1P003LFZ [0,1,0,0,0,0|2,0,1]=4 249 B11R1.20 CC(=O)Nc1ccc(cc1)C 1P0034KG [0,1,0,0,0,0|2,0,1]=4 250 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1P003LMW [0,1,0,0,0,0|2,0,1]=4 251 B11R1.20 CC(=O)Nc1ccc(cc1)F 1P003LVG [0,1,0,0,0,0|2,0,1]=4 252 B11R1.20 CC(=O)Nc1ccc(cc1)I 1P003STB [0,1,0,0,0,0|2,0,1]=4 253 B11R1.20 CC(=O)Nc1ccc(cc1)N 1P003L7A [0,1,0,0,0,0|2,0,1]=4 254 B11R1.20 CC(=O)Nc1ccc(cc1)N 1P003L7B [0,1,0,0,0,0|2,0,1]=4 255 B11R1.20 CC(=O)Nc1ccc(cc1)O 1P0034CJ [0,1,0,0,0,0|2,0,1]=4 256 B11R1.20 CC(=O)Nc1ccc(cc1)S 1P003L30 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.20 CC(=O)Oc1ccc(cc1)Br 1P007RNE [0,1,0,0,0,0|2,0,1]=4 258 B11R1.20 CC(=O)Oc1ccc(cc1)C 1P001CE9 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.20 CC(=O)Oc1ccc(cc1)Cl 1P004ICL [0,1,0,0,0,0|2,0,1]=4 260 B11R1.20 CC(=O)Oc1ccc(cc1)F 1P0034I6 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.20 CC(=O)Oc1ccc(cc1)I 1P00CN12 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.20 CC(=O)Oc1ccc(cc1)N 1P009BBN [0,1,0,0,0,0|2,0,1]=4 263 B11R1.20 CC(=O)Oc1ccc(cc1)O 1P00C6UC [0,1,0,0,0,0|2,0,1]=4 264 B11R1.20 CC(Cc1ccc(cc1)Br)C 1P002ACM [0,1,0,0,0,0|1,0,0]=2 265 B11R1.20 CC(Cc1ccc(cc1)F)Br 1P01DXNU [0,1,0,0,0,0|1,0,0]=2 266 B11R1.20 CC(Cc1ccc(cc1)F)O 1P00DO4L [0,1,0,0,0,0|1,0,0]=2 267 B11R1.20 CC(Cc1ccc(cc1)I)N 1P007PB0 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.20 CC(Cc1ccc(cc1)N)C 1P00BGLP [0,1,0,0,0,0|1,0,0]=2 269 B11R1.20 CC(Cc1ccc(cc1)N)C 1P01A1S9 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.20 CC(Cc1ccc(cc1)O)C 1P00C74Z [0,1,0,0,0,0|1,0,0]=2 271 B11R1.20 CC(Cc1ccc(cc1)O)N 1P01G8YJ [0,1,0,0,0,0|0,0,0]=1 272 B11R1.20 CC(Cc1ccc(cc1)O)O 1P028VHS [0,1,0,0,0,0|1,0,0]=2 273 B11R1.20 CC(Cc1ccc(cn1)Br)C 1P01AML6 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.20 CC(Cc1ncc(cn1)N)C 1P01BGXL [0,1,0,0,0,0|3,0,0]=4 275 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P008TM4 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P00J48C [0,1,0,0,0,0|2,0,0]=3 277 B11R1.20 CC(Nc1ccc(cc1)C)C 1P01A96B [0,1,0,0,0,0|2,0,0]=3 278 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P008ONV [0,1,0,0,0,0|2,0,0]=3 279 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P01A9H7 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.20 CC(Nc1ccc(cc1)F)C 1P00FAAU [0,1,0,0,0,0|2,0,0]=3 281 B11R1.20 CC(Nc1ccc(cn1)Br)C 1P00DJKD [0,1,0,0,0,0|3,0,0]=4 282 B11R1.20 CC(Nc1ccc(cn1)N)C 1P019XVJ [0,1,0,0,0,0|3,0,0]=4 283 B11R1.20 CC(Oc1ccc(cc1)Br)C 1P0069DE [0,1,0,0,0,0|2,0,0]=3 284 B11R1.20 CC(Oc1ccc(cc1)F)C 1P00DKL4 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.20 CC(Oc1ccc(cc1)I)C 1P009WM4 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.20 CC(Oc1ccc(cc1)N)C 1P0036ZG [0,1,0,0,0,0|2,0,0]=3 287 B11R1.20 CC(Oc1ccc(cc1)N)C 1P00BIXU [0,1,0,0,0,0|2,0,0]=3 288 B11R1.20 CC(Oc1ccc(cc1)O)C 1P00ID1L [0,1,0,0,0,0|2,0,0]=3 289 B11R1.20 CC(Oc1ccc(cn1)Br)C 1P008E69 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.20 CC(Oc1ccc(cn1)C)C 1P00HW2W [0,1,0,0,0,0|3,0,0]=4 291 B11R1.20 CC(Oc1ccc(cn1)Cl)C 1P00I5RW [0,1,0,0,0,0|3,0,0]=4 292 B11R1.20 CC(Oc1ccc(cn1)N)C 1P00DC2Q [0,1,0,0,0,0|3,0,0]=4 293 B11R1.20 CC(Oc1ccc(cn1)O)C 1P00H50E [0,1,0,0,0,0|3,0,0]=4 294 B11R1.20 CC(Oc1ccc(nc1)Br)C 1P00IE8S [0,1,0,0,0,0|3,0,0]=4 295 B11R1.20 CC(Oc1ccc(nc1)Cl)C 1P009747 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.20 CC(Sc1ccc(cc1)Br)C 1P005JZI [0,1,0,0,0,0|2,0,0]=3 297 B11R1.20 CC(Sc1ccc(cc1)Cl)C 1P005DS2 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.20 CN(Cc1ccc(cc1)Br)C 1P00IBJG [0,1,0,0,0,0|2,0,0]=3 299 B11R1.20 CN(Cc1ccc(cc1)N)C 1P0034A0 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.20 CN(Cc1ccc(cn1)Br)C 1P00ILFH [0,1,0,0,0,0|3,0,0]=4 301 B11R1.20 CN(Cc1ccc(nc1)Br)C 1P00FGLY [0,1,0,0,0,0|3,0,0]=4 302 B11R1.20 CN(Cc1ccc(nc1)Cl)C 1P00C2E0 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.20 CN(Cc1ccc(nc1)Cl)C 1P027WKO [0,1,0,0,0,0|3,0,0]=4 304 B11R1.20 CN(Cc1ccc(nc1)N)C 1P000Q1D [0,1,0,0,0,0|3,0,0]=4 305 B11R1.20 CN(Cc1ccc(nc1)N)C 1P019ZJB [0,1,0,0,0,0|3,0,0]=4 306 B11R1.20 ClC(=O)Cc1ccc(cc1)Br 1P00JLAO [0,1,0,0,0,0|2,0,1]=4 307 B11R1.20 ClC(=O)Cc1ccc(cc1)C 1P00C0VI [0,1,0,0,0,0|2,0,1]=4 308 B11R1.20 ClC(=O)Cc1ccc(cc1)Cl 1P0034GI [0,1,0,0,0,0|2,0,1]=4 309 B11R1.20 ClC(=O)Cc1ccc(cc1)F 1P003LWR [0,1,0,0,0,0|2,0,1]=4 310 B11R1.20 FC(Cc1ccc(cc1)Br)F 1P01ELKO [0,1,0,0,0,0|2,0,0]=3 311 B11R1.20 FC(Cc1ccc(cc1)O)F 1P01EN6H [0,1,0,0,0,0|2,0,0]=3 312 B11R1.20 FC(Oc1ccc(cc1)Br)F 1P003KO6 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.20 FC(Oc1ccc(cc1)C)F 1P001QKB [0,1,0,0,0,0|3,0,0]=4 314 B11R1.20 FC(Oc1ccc(cc1)Cl)F 1P005GRV [0,1,0,0,0,0|3,0,0]=4 315 B11R1.20 FC(Oc1ccc(cc1)F)F 1P00CMG2 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.20 FC(Oc1ccc(cc1)I)F 1P000YAJ [0,1,0,0,0,0|3,0,0]=4 317 B11R1.20 FC(Oc1ccc(cc1)N)F 1P003KO1 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.20 FC(Oc1ccc(cc1)O)F 1P004LER [0,1,0,0,0,0|3,0,0]=4 319 B11R1.20 FC(Sc1ccc(cc1)Br)F 1P006XAV [0,1,0,0,0,0|3,0,0]=4 320 B11R1.20 FC(Sc1ccc(cc1)Cl)F 1P002Q73 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.20 FC(Sc1ccc(cc1)F)F 1P027EMT [0,1,0,0,0,0|3,0,0]=4 322 B11R1.20 FC(Sc1ccc(cc1)N)F 1P007OYY [0,1,0,0,0,0|3,0,0]=4 323 B11R1.20 FC(Sc1ccc(cc1)N)F 1P019LZV [0,1,0,0,0,0|3,0,0]=4 324 B11R1.20 NC(=N)Cc1ccc(cc1)Br 1P00ER80 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.20 NC(=N)Cc1ccc(cc1)C 1P00JTEG [0,1,0,0,0,0|1,0,1]=3 326 B11R1.20 NC(=N)Nc1ccc(cc1)Br 1P01DI4V [0,1,0,0,0,0|2,0,1]=4 327 B11R1.20 NC(=N)Nc1ccc(cc1)C 1P00DG0U [0,1,0,0,0,0|2,0,1]=4 328 B11R1.20 NC(=Nc1ccc(cc1)Cl)N 1P007L3M [0,1,0,0,0,0|2,0,1]=4 329 B11R1.20 NC(=O)Cc1ccc(cc1)Br 1P0059AH [0,1,0,0,0,0|1,0,1]=3 330 B11R1.20 NC(=O)Cc1ccc(cc1)Cl 1P00BJHH [0,1,0,0,0,0|1,0,1]=3 331 B11R1.20 NC(=O)Cc1ccc(cc1)F 1P01AARD [0,1,0,0,0,0|1,0,1]=3 332 B11R1.20 NC(=O)Cc1ccc(cc1)N 1P00FJU0 [0,1,0,0,0,0|1,0,1]=3 333 B11R1.20 NC(=O)Cc1ccc(cc1)O 1P003M0D [0,1,0,0,0,0|1,0,1]=3 334 B11R1.20 NC(=O)Cc1ccc(cn1)Br 1P009D92 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.20 NC(=O)Cc1ccc(nc1)Cl 1P00DIGB [0,1,0,0,0,0|2,0,1]=4 336 B11R1.20 NC(=O)Nc1ccc(cc1)Br 1P003LHR [0,1,0,0,0,0|2,0,1]=4 337 B11R1.20 NC(=O)Nc1ccc(cc1)C 1P003UI8 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.20 NC(=O)Nc1ccc(cc1)Cl 1P001CEA [0,1,0,0,0,0|2,0,1]=4 339 B11R1.20 NC(=O)Nc1ccc(cc1)F 1P003LWX [0,1,0,0,0,0|2,0,1]=4 340 B11R1.20 NC(=O)Nc1ccc(cc1)N 1P007QRZ [0,1,0,0,0,0|2,0,1]=4 341 B11R1.20 NC(=S)Cc1ccc(cc1)Cl 1P0020UH [0,1,0,0,0,0|1,0,1]=3 342 B11R1.20 NC(=S)Cc1ccc(cc1)F 1P00I7F0 [0,1,0,0,0,0|1,0,1]=3 343 B11R1.20 NC(=S)Cc1ccc(cc1)N 1P01L083 [0,1,0,0,0,0|1,0,1]=3 344 B11R1.20 NC(=S)Nc1ccc(cc1)Br 1P002TRT [0,1,0,0,0,0|2,0,1]=4 345 B11R1.20 NC(=S)Nc1ccc(cc1)C 1P003M96 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.20 NC(=S)Nc1ccc(cc1)Cl 1P003LOV [0,1,0,0,0,0|2,0,1]=4 347 B11R1.20 NC(=S)Nc1ccc(cc1)F 1P0032OI [0,1,0,0,0,0|2,0,1]=4 348 B11R1.20 NC(=S)Nc1ccc(cc1)I 1P002HS9 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.20 NC(=S)Nc1ccc(cc1)O 1P003DGJ [0,1,0,0,0,0|2,0,1]=4 350 B11R1.20 O=C1C=CC(=NC(=O)C)C=C1 1P003T57 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.20 OC(=O)Cc1ccc(cc1)Br 1P002GYL [0,1,0,0,0,0|2,0,1]=4 352 B11R1.20 OC(=O)Cc1ccc(cc1)C 1P0037QY [0,1,0,0,0,0|2,0,1]=4 353 B11R1.20 OC(=O)Cc1ccc(cc1)Cl 1P002GYN [0,1,0,0,0,0|2,0,1]=4 354 B11R1.20 OC(=O)Cc1ccc(cc1)F 1P003LWO [0,1,0,0,0,0|2,0,1]=4 355 B11R1.20 OC(=O)Cc1ccc(cc1)I 1P0027Q4 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.20 OC(=O)Cc1ccc(cc1)N 1P000PYE [0,1,0,0,0,0|2,0,1]=4 357 B11R1.20 OC(=O)Cc1ccc(cc1)O 1P001OVW [0,1,0,0,0,0|2,0,1]=4 358 B11R1.20 OC(=O)Cc1ccc(cc1)S 1P003M2M [0,1,0,0,0,0|2,0,1]=4 359 B11R1.36 BrC(c1ccccc1)C(=O)C 1P002MCS [0,1,0,0,0,0|1,0,1]=3 360 B11R1.36 BrC(c1ccccc1)C(=O)O 1P003O8M [0,1,0,0,0,0|2,0,1]=4 361 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [0,1,0,0,0,0|1,0,0]=2 362 B11R1.36 BrC(c1ccccc1)C(F)F 1P01EM7U [0,1,0,0,0,0|2,0,0]=3 363 B11R1.36 CC(=C(C)C)c1ccccc1 1P005FQH [0,1,0,0,0,0|1,0,2]=4 364 B11R1.36 CC(C(=C)c1ccccc1)C 1P0020JF [0,1,0,0,0,0|1,0,1]=3 365 B11R1.36 CC(C(=O)c1ccccc1)Br 1P002LSU [0,1,0,0,0,0|1,0,1]=3 366 B11R1.36 CC(C(=O)c1ccccc1)C 1P003RK4 [0,1,0,0,0,0|1,0,1]=3 367 B11R1.36 CC(C(=O)c1ccccc1)Cl 1P003HK2 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.36 CC(C(=O)c1ccccc1)O 1P00381W [0,1,0,0,0,0|1,0,1]=3 369 B11R1.36 CC(C(=O)c1ccccc1)S 1P0014KR [0,1,0,0,0,0|1,0,1]=3 370 B11R1.36 CC(C(=O)c1ccccn1)C 1P003RL9 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.36 CC(C(=O)c1cccnc1)C 1P00DDEN [0,1,0,0,0,0|2,0,1]=4 372 B11R1.36 CC(C(=O)c1ccncc1)C 1P018SQB [0,1,0,0,0,0|2,0,1]=4 373 B11R1.36 CC(C(c1ccccn1)C)C 1P01EW46 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.36 CC(C(c1ccccn1)N)C 1P003I1G [0,1,0,0,0,0|2,0,0]=3 375 B11R1.36 CC(C(c1ccccn1)N)C 1P00J25O [0,1,0,0,0,0|2,0,0]=3 376 B11R1.36 CC(C(c1ccccn1)O)C 1P01A93C [0,1,0,0,0,0|2,0,0]=3 377 B11R1.36 CC(C(c1cccnc1)N)C 1P00CLHH [0,1,0,0,0,0|2,0,0]=3 378 B11R1.36 CC(C(c1cccnc1)N)C 1P00J26G [0,1,0,0,0,0|2,0,0]=3 379 B11R1.36 CC([C@@H](c1ccccn1)N)C 1P01DUNS [0,1,0,0,0,0|2,0,0]=3 380 B11R1.36 CC([C@H](c1ccccn1)N)C 1P01FQ3E [0,1,0,0,0,0|2,0,0]=3 381 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [0,1,0,0,0,0|1,0,1]=3 382 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [0,1,0,0,0,0|1,0,1]=3 383 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [0,1,0,0,0,0|1,0,1]=3 384 B11R1.36 CC(c1ccccc1)C(=O)O 1P003Q9M [0,1,0,0,0,0|2,0,1]=4 385 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [0,1,0,0,0,0|1,0,0]=2 386 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [0,1,0,0,0,0|0,0,0]=1 387 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.36 CC(c1ccncc1)C(C)C 1P01FF85 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.36 CN(C(=O)c1ccccc1)C 1P003T1L [0,1,0,0,0,0|2,0,1]=4 390 B11R1.36 CN(C(=O)c1ccccc1)N 1P00AO6B [0,1,0,0,0,0|1,0,1]=3 391 B11R1.36 CN(C(=O)c1ccccc1)O 1P01HN3S [0,1,0,0,0,0|2,0,1]=4 392 B11R1.36 CN(c1ccccc1)C(=N)N 1P019SM4 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.36 CN(c1ccccc1)C(=O)C 1P003TNP [0,1,0,0,0,0|2,0,1]=4 394 B11R1.36 CN(c1ccccc1)C(=O)N 1P00E08N [0,1,0,0,0,0|2,0,1]=4 395 B11R1.36 CN(c1ccccc1)C(=S)N 1P003TOW [0,1,0,0,0,0|2,0,1]=4 396 B11R1.36 C[C@@H](c1ccccc1)C(=O)O 1P003CXR [0,1,0,0,0,0|2,0,1]=4 397 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [0,1,0,0,0,0|1,0,1]=3 399 B11R1.36 C[C@H](c1ccccc1)C(=O)O 1P003CJO [0,1,0,0,0,0|2,0,1]=4 400 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [0,1,0,0,0,0|2,0,0]=3 401 B11R1.36 ClC(C(=O)c1ccccc1)Cl 1P002TV5 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.36 ClC(c1ccccc1)C(=O)C 1P00DQWI [0,1,0,0,0,0|1,0,1]=3 403 B11R1.36 ClC(c1ccccc1)C(=O)Cl 1P002XUX [0,1,0,0,0,0|2,0,1]=4 404 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [0,1,0,0,0,0|1,0,1]=3 405 B11R1.36 ClC(c1ccccc1)C(=O)O 1P0033NY [0,1,0,0,0,0|2,0,1]=4 406 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [0,1,0,0,0,0|1,0,0]=2 407 B11R1.36 ClN(c1ccccc1)C(=O)C 1P003TCX [0,1,0,0,0,0|2,0,1]=4 408 B11R1.36 Cl[C@@H](c1ccccc1)C(=O)O 1P00C23B [0,1,0,0,0,0|2,0,1]=4 409 B11R1.36 FC(C(=O)c1ccccc1)Br 1P00CU87 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.36 FC(C(=O)c1ccccc1)F 1P003FRJ [0,1,0,0,0,0|2,0,1]=4 411 B11R1.36 FC(C(c1ccccn1)N)F 1P028HH8 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.36 FC(S(=O)c1ccccc1)F 1P00BLJS [0,1,0,0,0,0|3,0,0]=4 413 B11R1.36 FC(c1ccccc1)C(=O)O 1P001Q6K [0,1,0,0,0,0|2,0,1]=4 414 B11R1.36 NC(=O)C(c1ccccn1)N 1P01ANHW [0,1,0,0,0,0|2,0,1]=4 415 B11R1.36 NC(=[N+](C)[O-])c1ccccc1 1P01EI8E [0,1,0,0,0,0|2,0,1]=4 416 B11R1.36 NC(c1ccccc1)C(=O)C 1P00BZXU [0,1,0,0,0,0|1,0,1]=3 417 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [0,1,0,0,0,0|1,0,1]=3 418 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [0,1,0,0,0,0|1,0,1]=3 419 B11R1.36 NC(c1ccccc1)C(=O)O 1P003BUF [0,1,0,0,0,0|2,0,1]=4 420 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [0,1,0,0,0,0|1,0,0]=2 421 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [0,1,0,0,0,0|1,0,0]=2 422 B11R1.36 NC(c1ccccc1)C(F)F 1P01AMBO [0,1,0,0,0,0|2,0,0]=3 423 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [0,1,0,0,0,0|1,0,0]=2 424 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [0,1,0,0,0,0|1,0,0]=2 425 B11R1.36 NC(c1ccncc1)C(C)C 1P00EKIT [0,1,0,0,0,0|2,0,0]=3 426 B11R1.36 NC(c1ncccn1)C(C)C 1P027VJU [0,1,0,0,0,0|3,0,0]=4 427 B11R1.36 NN(c1ccccc1)C(=O)C 1P01G7GO [0,1,0,0,0,0|2,0,1]=4 428 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [0,1,0,0,0,0|1,0,1]=3 429 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [0,1,0,0,0,0|1,0,1]=3 430 B11R1.36 N[C@@H](c1ccccc1)C(=O)O 1P003RNB [0,1,0,0,0,0|2,0,1]=4 431 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [0,1,0,0,0,0|1,0,0]=2 432 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [0,1,0,0,0,0|1,0,0]=2 433 B11R1.36 N[C@@H](c1ccccc1)C(F)F 1P01E61P [0,1,0,0,0,0|2,0,0]=3 434 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [0,1,0,0,0,0|1,0,0]=2 435 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [0,1,0,0,0,0|1,0,0]=2 436 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [0,1,0,0,0,0|1,0,1]=3 437 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [0,1,0,0,0,0|1,0,1]=3 438 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P003CPF [0,1,0,0,0,0|2,0,1]=4 439 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P00BK11 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [0,1,0,0,0,0|1,0,0]=2 441 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [0,1,0,0,0,0|1,0,0]=2 442 B11R1.36 N[C@H](c1ccccc1)C(F)F 1P01DZT4 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [0,1,0,0,0,0|1,0,0]=2 444 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [0,1,0,0,0,0|1,0,0]=2 445 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [0,1,0,0,0,0|1,0,0]=2 446 B11R1.36 O=C(c1ccccc1)C(=O)C 1P003BIO [0,1,0,0,0,0|1,0,2]=4 447 B11R1.36 O=C(c1ccccc1)C(=S)N 1P019MWH [0,1,0,0,0,0|1,0,2]=4 448 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [0,1,0,0,0,0|1,0,1]=3 449 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [0,1,0,0,0,0|1,0,1]=3 450 B11R1.36 OC(c1ccccc1)C(=O)O 1P003790 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.36 OC(c1ccccc1)C(=O)[O-] 1P000AQ7 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.36 OC(c1ccccc1)C(F)F 1P019DAC [0,1,0,0,0,0|2,0,0]=3 454 B11R1.36 OC(c1ccncc1)C(N)C 1P01AAOY [0,1,0,0,0,0|1,0,0]=2 455 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [0,1,0,0,0,0|1,0,1]=3 456 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P000Q83 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P0035JL [0,1,0,0,0,0|2,0,1]=4 458 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.36 O[C@@H](c1ccccc1)C(F)F 1P01ALTG [0,1,0,0,0,0|2,0,0]=3 460 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [0,1,0,0,0,0|1,0,1]=3 461 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P000Q82 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P0032UD [0,1,0,0,0,0|2,0,1]=4 463 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P01JVEL [0,1,0,0,0,0|2,0,1]=4 464 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [0,1,0,0,0,0|1,0,0]=2 465 B11R1.36 O[C@H](c1ccccc1)C(F)F 1P01BCSU [0,1,0,0,0,0|2,0,0]=3 466 B11R1.36 SC(c1ccccc1)C(=O)O 1P00E0CY [0,1,0,0,0,0|2,0,1]=4 467 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.40 BrC(Cc1ccccc1)C#N 1P00ERAI [0,1,0,0,0,0|1,0,1]=3 469 B11R1.40 BrCC(=O)Cc1ccccc1 1P002JOF [0,1,0,0,0,0|1,0,1]=3 470 B11R1.40 BrCC(=O)Oc1ccccc1 1P0035XL [0,1,0,0,0,0|2,0,1]=4 471 B11R1.40 C#CC(=O)Cc1ccccc1 1P01A2K5 [0,1,0,0,0,0|1,0,2]=4 472 B11R1.40 C=CC(=O)Cc1ccccc1 1P01ADIQ [0,1,0,0,0,0|1,0,2]=4 473 B11R1.40 C=CC(Cc1ccccc1)O 1P00ENKF [0,1,0,0,0,0|1,0,1]=3 474 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [0,1,0,0,0,0|0,0,1]=2 475 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [0,1,0,0,0,0|0,0,1]=2 476 B11R1.40 CC(NC)Cc1cnccn1 1P00GVWO [0,1,0,0,0,0|2,0,0]=3 477 B11R1.40 CC(Nc1ccccc1)C#N 1P00BK55 [0,1,0,0,0,0|1,0,1]=3 478 B11R1.40 CC(Oc1ccccc1)C#N 1P01AIKQ [0,1,0,0,0,0|1,0,1]=3 479 B11R1.40 CC(Sc1ccccc1)C#N 1P01EK9I [0,1,0,0,0,0|1,0,1]=3 480 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,1,0,0,0,0|1,0,1]=3 481 B11R1.40 CCC(=O)Cc1cccnc1 1P01BIVT [0,1,0,0,0,0|2,0,1]=4 482 B11R1.40 CCC(=O)Nc1ccccc1 1P0037QW [0,1,0,0,0,0|2,0,1]=4 483 B11R1.40 CCC(=O)Oc1ccccc1 1P00EG93 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,1,0,0,0,0|1,0,0]=2 485 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,1,0,0,0,0|1,0,0]=2 486 B11R1.40 CCC(Cc1ccncc1)Br 1P01B1VS [0,1,0,0,0,0|2,0,0]=3 487 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [0,1,0,0,0,0|2,0,0]=3 488 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,1,0,0,0,0|2,0,0]=3 489 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,1,0,0,0,0|0,0,0]=1 490 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,1,0,0,0,0|1,0,0]=2 491 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,1,0,0,0,0|0,0,0]=1 492 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,1,0,0,0,0|1,0,0]=2 493 B11R1.40 CNC(=Cc1ccccc1)C 1P01B1W1 [0,1,0,0,0,0|0,0,2]=3 494 B11R1.40 CNC(=O)Cc1ccccc1 1P00FF7Y [0,1,0,0,0,0|1,0,1]=3 495 B11R1.40 CNC(=O)Cc1cccnc1 1P009TNL [0,1,0,0,0,0|2,0,1]=4 496 B11R1.40 CNC(=O)Nc1ccccc1 1P008SLO [0,1,0,0,0,0|2,0,1]=4 497 B11R1.40 CNC(=O)Oc1ccccc1 1P007S45 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.40 CNC(=S)Nc1ccccc1 1P007M3I [0,1,0,0,0,0|2,0,1]=4 499 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [0,1,0,0,0,0|1,0,0]=2 500 B11R1.40 CNC(Cc1ccccn1)C 1P00D9XC [0,1,0,0,0,0|1,0,0]=2 501 B11R1.40 COC(=N)Cc1ccccc1 1P00CMTE [0,1,0,0,0,0|0,0,2]=3 502 B11R1.40 COC(=O)Cc1ccccc1 1P0003W2 [0,1,0,0,0,0|1,0,1]=3 503 B11R1.40 COC(=O)Cc1ccccn1 1P001WTF [0,1,0,0,0,0|2,0,1]=4 504 B11R1.40 COC(=O)Cc1cccnc1 1P0037QD [0,1,0,0,0,0|2,0,1]=4 505 B11R1.40 COC(=O)Cc1ccncc1 1P0035OG [0,1,0,0,0,0|2,0,1]=4 506 B11R1.40 COC(=O)Cc1ccncc1 1P003SCV [0,1,0,0,0,0|2,0,1]=4 507 B11R1.40 COC(=O)Nc1ccccc1 1P002RWQ [0,1,0,0,0,0|2,0,1]=4 508 B11R1.40 COC(=O)Oc1ccccc1 1P003SIP [0,1,0,0,0,0|2,0,1]=4 509 B11R1.40 ClC(Cc1ccccc1)C#N 1P0026K2 [0,1,0,0,0,0|1,0,1]=3 510 B11R1.40 ClCC(=O)Cc1ccccc1 1P0061Y1 [0,1,0,0,0,0|1,0,1]=3 511 B11R1.40 ClCC(=O)Nc1ccccc1 1P003HJM [0,1,0,0,0,0|2,0,1]=4 512 B11R1.40 ClCC(=O)Oc1ccccc1 1P01DQKJ [0,1,0,0,0,0|2,0,1]=4 513 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [0,1,0,0,0,0|1,0,0]=2 514 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [0,1,0,0,0,0|1,0,0]=2 515 B11R1.40 FC(Sc1ccccc1)C#N 1P000V5T [0,1,0,0,0,0|2,0,1]=4 516 B11R1.40 ICC(=O)Nc1ccccc1 1P00IN3U [0,1,0,0,0,0|2,0,1]=4 517 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [0,1,0,0,0,0|0,0,1]=2 518 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [0,1,0,0,0,0|0,0,1]=2 519 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [0,1,0,0,0,0|0,0,1]=2 520 B11R1.40 NCC(=O)Cc1ccccc1 1P00334Z [0,1,0,0,0,0|1,0,1]=3 521 B11R1.40 NCC(=O)Nc1ccccc1 1P00DDPM [0,1,0,0,0,0|2,0,1]=4 522 B11R1.40 NCC(=O)Nc1ccccc1 1P00DL14 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.40 NCC(=O)Sc1ccccc1 1P028EBQ [0,1,0,0,0,0|2,0,1]=4 524 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [0,1,0,0,0,0|1,0,0]=2 525 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [0,1,0,0,0,0|0,0,0]=1 526 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [0,1,0,0,0,0|1,0,0]=2 527 B11R1.40 NCC(Cc1ccccn1)C 1P01BU05 [0,1,0,0,0,0|1,0,0]=2 528 B11R1.40 NCC(Cc1ccccn1)C 1P027VI5 [0,1,0,0,0,0|1,0,0]=2 529 B11R1.40 NCC(Cc1cccnc1)O 1P028Y27 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.40 NCC(Nc1ccccc1)C 1P019TJC [0,1,0,0,0,0|1,0,0]=2 531 B11R1.40 NCC(Oc1ccccc1)C 1P003IBC [0,1,0,0,0,0|1,0,0]=2 532 B11R1.40 NCC(Oc1ccccc1)C 1P00IKNL [0,1,0,0,0,0|1,0,0]=2 533 B11R1.40 NCC(Oc1cccnc1)C 1P0048SZ [0,1,0,0,0,0|2,0,0]=3 534 B11R1.40 NCC(Sc1ccccc1)C 1P019SS7 [0,1,0,0,0,0|1,0,0]=2 535 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [0,1,0,0,0,0|0,0,0]=1 536 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [0,1,0,0,0,0|1,0,0]=2 537 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [0,1,0,0,0,0|0,0,0]=1 538 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [0,1,0,0,0,0|1,0,0]=2 539 B11R1.40 NNC(=O)C[n+]1ccccc1 1P0032Z5 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [0,1,0,0,0,0|1,0,1]=3 541 B11R1.40 NNC(=O)Cc1ccccn1 1P005PSM [0,1,0,0,0,0|2,0,1]=4 542 B11R1.40 NNC(=O)Cc1cccnc1 1P002B6V [0,1,0,0,0,0|2,0,1]=4 543 B11R1.40 NNC(=O)Cc1ccncc1 1P00FB95 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG8 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG9 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.40 NNC(=O)Oc1ccccc1 1P003B60 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.40 NNC(=S)Nc1ccccc1 1P003MFV [0,1,0,0,0,0|2,0,1]=4 548 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [0,1,0,0,0,0|0,0,0]=1 549 B11R1.40 O=CC(=Cc1ccccc1)C 1P0003W3 [0,1,0,0,0,0|1,0,2]=4 550 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [0,1,0,0,0,0|1,0,0]=2 551 B11R1.40 O=CN(C)CC1=CC=CC=C1 1P01KHTP [0,1,0,0,0,0|2,0,0]=3 552 B11R1.40 O=C\C(=C\c1ccccc1)\C 1P00ACHR [0,1,0,0,0,0|1,0,2]=4 553 B11R1.40 O=NN(Cc1ccccc1)C 1P01BJ40 [0,1,0,0,0,0|1,0,1]=3 554 B11R1.40 O=NN(Cc1cccnc1)C 1P01XLZV [0,1,0,0,0,0|2,0,1]=4 555 B11R1.40 OC(Cc1ccccc1)C#C 1P00DAP6 [0,1,0,0,0,0|1,0,1]=3 556 B11R1.40 OC(Cc1ccccc1)C#N 1P006V4A [0,1,0,0,0,0|1,0,1]=3 557 B11R1.40 OCC(=Cc1ccccc1)C 1P001N1I [0,1,0,0,0,0|1,0,2]=4 558 B11R1.40 OCC(=O)Nc1ccccc1 1P00DHB3 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [0,1,0,0,0,0|1,0,0]=2 560 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [0,1,0,0,0,0|0,0,0]=1 561 B11R1.40 OCC(Cc1ccccn1)N 1P01BDEZ [0,1,0,0,0,0|1,0,0]=2 562 B11R1.40 OCC(Cc1cccnc1)N 1P01BDC0 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.40 OCC(Cc1ccncc1)N 1P01BDD8 [0,1,0,0,0,0|1,0,0]=2 564 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [0,1,0,0,0,0|2,0,0]=3 565 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [0,1,0,0,0,0|0,0,0]=1 566 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [0,1,0,0,0,0|1,0,0]=2 567 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [0,1,0,0,0,0|2,0,0]=3 568 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [0,1,0,0,0,0|1,0,0]=2 569 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [0,1,0,0,0,0|0,0,0]=1 570 B11R1.40 ON=C(Cc1ccccc1)Cl 1P00ICH1 [0,1,0,0,0,0|1,0,2]=4 571 B11R1.40 ON=C(Cc1ccccn1)N 1P00C7ZC [0,1,0,0,0,0|2,0,1]=4 572 B11R1.40 ON=C(Cc1ccncc1)C 1P00B9HK [0,1,0,0,0,0|1,0,2]=4 573 B11R1.40 ON=C(Nc1ccccc1)N 1P028FCV [0,1,0,0,0,0|2,0,1]=4 574 B11R1.40 ONC(=N)Cc1ccccc1 1P002G98 [0,1,0,0,0,0|1,0,1]=3 575 B11R1.40 ONC(=N)Cc1cccnc1 1P0013TZ [0,1,0,0,0,0|2,0,1]=4 576 B11R1.40 ONC(=O)Cc1ccccc1 1P00DAOE [0,1,0,0,0,0|1,0,1]=3 577 B11R1.40 ONC(=O)Oc1ccccc1 1P00CYVR [0,1,0,0,0,0|2,0,1]=4 578 B11R1.40 O\N=C(\Cc1cccnc1)/N 1P00DAK0 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.40 SCC(=O)Nc1ccccc1 1P006XF9 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.86 CC(=O)Cc1ccccc1Br 1P003H9D [0,1,0,0,0,0|1,0,1]=3 581 B11R1.86 CC(=O)Cc1ccccc1C 1P00D954 [0,1,0,0,0,0|1,0,1]=3 582 B11R1.86 CC(=O)Cc1ccccc1Cl 1P003DAJ [0,1,0,0,0,0|1,0,1]=3 583 B11R1.86 CC(=O)Cc1ccccc1F 1P003BOY [0,1,0,0,0,0|1,0,1]=3 584 B11R1.86 CC(=O)Cc1ccccc1I 1P01ALIT [0,1,0,0,0,0|1,0,1]=3 585 B11R1.86 CC(=O)Cc1ccccc1O 1P000VSR [0,1,0,0,0,0|1,0,1]=3 586 B11R1.86 CC(=O)Cc1ccncc1C 1P028QLT [0,1,0,0,0,0|2,0,1]=4 587 B11R1.86 CC(=O)Cc1ncccc1Br 1P01A0L8 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.86 CC(=O)Cc1ncccc1C 1P00C8O3 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.86 CC(=O)Cc1ncccc1Cl 1P01ALQN [0,1,0,0,0,0|2,0,1]=4 590 B11R1.86 CC(=O)Cn1ccccc1=O 1P01BEJK [0,1,0,0,0,0|2,0,1]=4 591 B11R1.86 CC(=O)Nc1ccccc1Br 1P003BNA [0,1,0,0,0,0|2,0,1]=4 592 B11R1.86 CC(=O)Nc1ccccc1C 1P000QH9 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.86 CC(=O)Nc1ccccc1Cl 1P003BO5 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.86 CC(=O)Nc1ccccc1F 1P003BOW [0,1,0,0,0,0|2,0,1]=4 595 B11R1.86 CC(=O)Nc1ccccc1I 1P007RN6 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.86 CC(=O)Nc1ccccc1N 1P003BMT [0,1,0,0,0,0|2,0,1]=4 597 B11R1.86 CC(=O)Nc1ccccc1O 1P003GR9 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.86 CC(=O)Oc1ccccc1Br 1P0024OT [0,1,0,0,0,0|2,0,1]=4 599 B11R1.86 CC(=O)Oc1ccccc1Cl 1P003HJS [0,1,0,0,0,0|2,0,1]=4 600 B11R1.86 CC(=O)Oc1ccccc1I 1P00C7MR [0,1,0,0,0,0|2,0,1]=4 601 B11R1.86 CC(=O)Oc1ccccc1O 1P01BUNR [0,1,0,0,0,0|2,0,1]=4 602 B11R1.86 CC(Cc1ccccc1C)N 1P00DB4P [0,1,0,0,0,0|0,0,0]=1 603 B11R1.86 CC(Cc1ccccc1Cl)O 1P01EXHL [0,1,0,0,0,0|1,0,0]=2 604 B11R1.86 CC(Cc1ccccc1I)N 1P00BKEF [0,1,0,0,0,0|0,0,0]=1 605 B11R1.86 CC(Cc1ccccc1N)C 1P005KTS [0,1,0,0,0,0|1,0,0]=2 606 B11R1.86 CC(Cc1ccccc1O)C 1P00D6I3 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.86 CC(Cc1ccccc1O)N 1P01DX8H [0,1,0,0,0,0|0,0,0]=1 608 B11R1.86 CC(Cc1ccncc1C)N 1P02850K [0,1,0,0,0,0|1,0,0]=2 609 B11R1.86 CC(Cc1ncccc1Br)C 1P028GXI [0,1,0,0,0,0|2,0,0]=3 610 B11R1.86 CC(Cc1ncccc1N)C 1P028HKH [0,1,0,0,0,0|2,0,0]=3 611 B11R1.86 CC(Cc1nccnc1C)C 1P003BP7 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.86 CC(Nc1ccccc1Br)C 1P00B9GJ [0,1,0,0,0,0|2,0,0]=3 613 B11R1.86 CC(Nc1ccccc1C)C 1P01ABKS [0,1,0,0,0,0|2,0,0]=3 614 B11R1.86 CC(Nc1ccccc1I)C 1P01AYWT [0,1,0,0,0,0|2,0,0]=3 615 B11R1.86 CC(Nc1ccccc1N)C 1P00FIA6 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.86 CC(Nc1ccccc1S)C 1P01UCG1 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.86 CC(Nc1cccnc1C)C 1P01AWUY [0,1,0,0,0,0|3,0,0]=4 618 B11R1.86 CC(Nc1ccncc1N)C 1P019SXV [0,1,0,0,0,0|3,0,0]=4 619 B11R1.86 CC(Nc1ncccc1N)C 1P007OKF [0,1,0,0,0,0|3,0,0]=4 620 B11R1.86 CC(Oc1ccccc1Br)C 1P00375S [0,1,0,0,0,0|2,0,0]=3 621 B11R1.86 CC(Oc1ccccc1C)C 1P00I71J [0,1,0,0,0,0|2,0,0]=3 622 B11R1.86 CC(Oc1ccccc1Cl)C 1P00CLSM [0,1,0,0,0,0|2,0,0]=3 623 B11R1.86 CC(Oc1ccccc1F)C 1P000BWE [0,1,0,0,0,0|2,0,0]=3 624 B11R1.86 CC(Oc1ccccc1I)C 1P00G9T6 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.86 CC(Oc1ccccc1N)C 1P002VP9 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.86 CC(Oc1ccccc1N)C 1P00G7TU [0,1,0,0,0,0|2,0,0]=3 627 B11R1.86 CC(Oc1ccccc1O)C 1P003HY4 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.86 CC(Oc1cccnc1Br)C 1P0009AK [0,1,0,0,0,0|3,0,0]=4 629 B11R1.86 CC(Oc1cccnc1N)C 1P00H42Y [0,1,0,0,0,0|3,0,0]=4 630 B11R1.86 CC(Oc1cccnc1N)C 1P01B20L [0,1,0,0,0,0|3,0,0]=4 631 B11R1.86 CC(Oc1ccncc1N)C 1P027Y80 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.86 CC(Oc1cnccc1N)C 1P01C7K3 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.86 CC(Oc1ncccc1Br)C 1P00FCTA [0,1,0,0,0,0|3,0,0]=4 634 B11R1.86 CC(Oc1ncccc1Cl)C 1P00BHLW [0,1,0,0,0,0|3,0,0]=4 635 B11R1.86 CC(Oc1ncccc1I)C 1P003K1V [0,1,0,0,0,0|3,0,0]=4 636 B11R1.86 CC(Oc1ncccc1N)C 1P019V3F [0,1,0,0,0,0|3,0,0]=4 637 B11R1.86 CC(Sc1ccccc1N)C 1P00ECRQ [0,1,0,0,0,0|2,0,0]=3 638 B11R1.86 CC(Sc1ccccc1N)C 1P00IMP0 [0,1,0,0,0,0|2,0,0]=3 639 B11R1.86 CN(Cc1ccccc1Br)C 1P002BE6 [0,1,0,0,0,0|2,0,0]=3 640 B11R1.86 CN(Cc1ccccc1F)C 1P002NM7 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.86 CN(Cc1ccccc1N)C 1P002F0H [0,1,0,0,0,0|2,0,0]=3 642 B11R1.86 CN(Cc1ccccc1N)C 1P00G7QZ [0,1,0,0,0,0|2,0,0]=3 643 B11R1.86 CN(Cc1ccccc1N)C 1P00J208 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.86 CN(Cc1ncccc1O)C 1P00BCTN [0,1,0,0,0,0|3,0,0]=4 645 B11R1.86 CS(=O)Cc1ccccc1N 1P01AC6V [0,1,0,0,0,0|2,0,0]=3 646 B11R1.86 ClC(=O)Cc1ccccc1Cl 1P003HJY [0,1,0,0,0,0|2,0,1]=4 647 B11R1.86 ClC(=O)Cc1ccccc1F 1P003F8E [0,1,0,0,0,0|2,0,1]=4 648 B11R1.86 FC(Cc1ccccc1Br)F 1P028WPX [0,1,0,0,0,0|2,0,0]=3 649 B11R1.86 FC(Oc1ccccc1Br)F 1P0021B0 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.86 FC(Oc1ccccc1C)F 1P00C6RO [0,1,0,0,0,0|3,0,0]=4 651 B11R1.86 FC(Oc1ccccc1I)F 1P0067GD [0,1,0,0,0,0|3,0,0]=4 652 B11R1.86 FC(Oc1ccccc1N)F 1P0033C4 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.86 FC(Oc1ccccc1N)F 1P01C35J [0,1,0,0,0,0|3,0,0]=4 654 B11R1.86 FC(Oc1ccccc1O)F 1P00DIEB [0,1,0,0,0,0|3,0,0]=4 655 B11R1.86 FC(Sc1ccccc1N)F 1P019KIJ [0,1,0,0,0,0|3,0,0]=4 656 B11R1.86 FC(Sc1ccccc1O)F 1P01ALOG [0,1,0,0,0,0|3,0,0]=4 657 B11R1.86 NC(=N)Cc1ccccc1Br 1P009BM9 [0,1,0,0,0,0|1,0,1]=3 658 B11R1.86 NC(=N)Cc1ccccc1C 1P00JTDN [0,1,0,0,0,0|1,0,1]=3 659 B11R1.86 NC(=N)Cc1ccccc1Cl 1P00DK5P [0,1,0,0,0,0|1,0,1]=3 660 B11R1.86 NC(=N)Cc1ccccc1F 1P00IED3 [0,1,0,0,0,0|1,0,1]=3 661 B11R1.86 NC(=N)Nc1ccccc1C 1P00C6NB [0,1,0,0,0,0|2,0,1]=4 662 B11R1.86 NC(=N)Nc1ccccc1C 1P00FEG8 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.86 NC(=N)Nc1ccccc1Cl 1P00C3UH [0,1,0,0,0,0|2,0,1]=4 664 B11R1.86 NC(=O)Cc1ccccc1C 1P00C7O3 [0,1,0,0,0,0|1,0,1]=3 665 B11R1.86 NC(=O)Cc1ccccc1Cl 1P0008KE [0,1,0,0,0,0|1,0,1]=3 666 B11R1.86 NC(=O)Cc1ccccc1F 1P00I6ND [0,1,0,0,0,0|1,0,1]=3 667 B11R1.86 NC(=O)Cc1ccccc1N 1P00BZX4 [0,1,0,0,0,0|1,0,1]=3 668 B11R1.86 NC(=O)Cc1ccccc1O 1P006Y9M [0,1,0,0,0,0|1,0,1]=3 669 B11R1.86 NC(=O)Nc1ccccc1Br 1P000W2U [0,1,0,0,0,0|2,0,1]=4 670 B11R1.86 NC(=O)Nc1ccccc1C 1P003TZ2 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.86 NC(=O)Nc1ccccc1Cl 1P000AQ3 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.86 NC(=O)Nc1ccccc1F 1P003HSV [0,1,0,0,0,0|2,0,1]=4 673 B11R1.86 NC(=S)Cc1ccccc1Br 1P008SJN [0,1,0,0,0,0|1,0,1]=3 674 B11R1.86 NC(=S)Cc1ccccc1F 1P00H9ZX [0,1,0,0,0,0|1,0,1]=3 675 B11R1.86 NC(=S)Nc1ccccc1Br 1P003865 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.86 NC(=S)Nc1ccccc1C 1P00IBBO [0,1,0,0,0,0|2,0,1]=4 677 B11R1.86 NC(=S)Nc1ccccc1Cl 1P0032OG [0,1,0,0,0,0|2,0,1]=4 678 B11R1.86 NC(=S)Nc1ccccc1F 1P003BFU [0,1,0,0,0,0|2,0,1]=4 679 B11R1.86 OB(Cc1ccccc1Cl)O 1P018SHU [0,1,0,0,0,0|3,0,0]=4 680 B11R1.86 OC(=O)Cc1ccccc1Br 1P0033NF [0,1,0,0,0,0|2,0,1]=4 681 B11R1.86 OC(=O)Cc1ccccc1C 1P003I6V [0,1,0,0,0,0|2,0,1]=4 682 B11R1.86 OC(=O)Cc1ccccc1Cl 1P003HJX [0,1,0,0,0,0|2,0,1]=4 683 B11R1.86 OC(=O)Cc1ccccc1F 1P003HSU [0,1,0,0,0,0|2,0,1]=4 684 B11R1.86 OC(=O)Cc1ccccc1I 1P0033TV [0,1,0,0,0,0|2,0,1]=4 685 B11R1.86 OC(=O)Cc1ccccc1N 1P00BXSN [0,1,0,0,0,0|2,0,1]=4 686 B11R1.86 OC(=O)Cc1ccccc1O 1P0033TN [0,1,0,0,0,0|2,0,1]=4 687 B11R1.86 [O-]C(=O)Cc1ccccc1N 1P00EO9O [0,1,0,0,0,0|2,0,1]=4 688 B11R1.86 [O-][N+](=O)Cc1ccccc1F 1P0290A8 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.157 CC(=C)Cc1cccc(c1)F 1P006BT5 [0,1,0,0,0,0|1,0,1]=3 690 B11R1.157 CC(=O)Cc1cccc(c1)Br 1P00BC3Y [0,1,0,0,0,0|1,0,1]=3 691 B11R1.157 CC(=O)Cc1cccc(c1)C 1P002H8X [0,1,0,0,0,0|1,0,1]=3 692 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1P001GKC [0,1,0,0,0,0|1,0,1]=3 693 B11R1.157 CC(=O)Cc1cccc(c1)F 1P001ZL5 [0,1,0,0,0,0|1,0,1]=3 694 B11R1.157 CC(=O)Cc1cccc(n1)C 1P00FDR0 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.157 CC(=O)Cc1nccc(c1)C 1P0072NV [0,1,0,0,0,0|2,0,1]=4 696 B11R1.157 CC(=O)Nc1cccc(c1)Br 1P00ECJ9 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.157 CC(=O)Nc1cccc(c1)C 1P003K73 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1P003JQW [0,1,0,0,0,0|2,0,1]=4 699 B11R1.157 CC(=O)Nc1cccc(c1)F 1P003SRL [0,1,0,0,0,0|2,0,1]=4 700 B11R1.157 CC(=O)Nc1cccc(c1)I 1P002GA9 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.157 CC(=O)Nc1cccc(c1)N 1P0006PM [0,1,0,0,0,0|2,0,1]=4 702 B11R1.157 CC(=O)Nc1cccc(c1)N 1P019GG3 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.157 CC(=O)Nc1cccc(c1)O 1P00IBFR [0,1,0,0,0,0|2,0,1]=4 704 B11R1.157 CC(=O)Nc1cccc(c1)S 1P01DX1Y [0,1,0,0,0,0|2,0,1]=4 705 B11R1.157 CC(=O)Oc1cccc(c1)Br 1P00C7TF [0,1,0,0,0,0|2,0,1]=4 706 B11R1.157 CC(=O)Oc1cccc(c1)C 1P0016ZW [0,1,0,0,0,0|2,0,1]=4 707 B11R1.157 CC(=O)Oc1cccc(c1)Cl 1P000UR7 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.157 CC(=O)Oc1cccc(c1)F 1P003JY7 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.157 CC(=O)Oc1cccc(c1)I 1P00CLS4 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.157 CC(=O)Oc1cccc(c1)O 1P0006PL [0,1,0,0,0,0|2,0,1]=4 711 B11R1.157 CC(Cc1cc(Br)ccn1)O 1P01FM2O [0,1,0,0,0,0|2,0,0]=3 712 B11R1.157 CC(Cc1cccc(c1)Br)C 1P001AW5 [0,1,0,0,0,0|1,0,0]=2 713 B11R1.157 CC(Cc1cccc(c1)Br)N 1P00EKIM [0,1,0,0,0,0|0,0,0]=1 714 B11R1.157 CC(Cc1cccc(c1)C)N 1P00EM0G [0,1,0,0,0,0|0,0,0]=1 715 B11R1.157 CC(Cc1cccc(c1)Cl)Br 1P01BCMF [0,1,0,0,0,0|1,0,0]=2 716 B11R1.157 CC(Cc1cccc(c1)Cl)N 1P00I7HN [0,1,0,0,0,0|0,0,0]=1 717 B11R1.157 CC(Cc1cccc(c1)Cl)O 1P01DIZP [0,1,0,0,0,0|1,0,0]=2 718 B11R1.157 CC(Cc1cccc(c1)F)O 1P01A08E [0,1,0,0,0,0|1,0,0]=2 719 B11R1.157 CC(Cc1cccc(c1)I)C 1P0283V2 [0,1,0,0,0,0|1,0,0]=2 720 B11R1.157 CC(Cc1cccc(c1)I)N 1P002DNG [0,1,0,0,0,0|0,0,0]=1 721 B11R1.157 CC(Cc1cccc(c1)O)N 1P00939S [0,1,0,0,0,0|0,0,0]=1 722 B11R1.157 CC(Cc1cccc(c1)O)N 1P01C23Z [0,1,0,0,0,0|0,0,0]=1 723 B11R1.157 CC(Nc1cccc(c1)Br)C 1P00A7HU [0,1,0,0,0,0|2,0,0]=3 724 B11R1.157 CC(Nc1cccc(c1)C)C 1P0007BJ [0,1,0,0,0,0|2,0,0]=3 725 B11R1.157 CC(Nc1cccc(c1)C)C 1P01A9T6 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.157 CC(Nc1cccc(c1)Cl)C 1P00BXCF [0,1,0,0,0,0|2,0,0]=3 727 B11R1.157 CC(Nc1cccc(c1)F)C 1P007QOV [0,1,0,0,0,0|2,0,0]=3 728 B11R1.157 CC(Nc1cccc(c1)O)C 1P002NTG [0,1,0,0,0,0|2,0,0]=3 729 B11R1.157 CC(Oc1cccc(c1)Br)C 1P00104A [0,1,0,0,0,0|2,0,0]=3 730 B11R1.157 CC(Oc1cccc(c1)C)C 1P00AR0W [0,1,0,0,0,0|2,0,0]=3 731 B11R1.157 CC(Oc1cccc(c1)N)C 1P003K2Q [0,1,0,0,0,0|2,0,0]=3 732 B11R1.157 CC(Oc1cccc(c1)N)C 1P01AVB0 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.157 CC(Oc1cccc(c1)O)C 1P00ICC1 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.157 CC(Oc1cccc(n1)Br)C 1P00DAUQ [0,1,0,0,0,0|3,0,0]=4 735 B11R1.157 CC(Oc1cccc(n1)Cl)C 1P00H4US [0,1,0,0,0,0|3,0,0]=4 736 B11R1.157 CC(Oc1cccc(n1)F)C 1P01A4S7 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.157 CC(Oc1cccc(n1)N)C 1P0280BF [0,1,0,0,0,0|3,0,0]=4 738 B11R1.157 CC(Oc1ccnc(c1)N)C 1P020ETC [0,1,0,0,0,0|3,0,0]=4 739 B11R1.157 CC(Oc1cncc(c1)Br)C 1P00BFTH [0,1,0,0,0,0|3,0,0]=4 740 B11R1.157 CC(Oc1nccc(c1)Br)C 1P000BB6 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.157 CC(Oc1nccc(c1)Cl)C 1P009Z4I [0,1,0,0,0,0|3,0,0]=4 742 B11R1.157 CC(Oc1nccc(c1)I)C 1P019FH8 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.157 CC(Oc1nccc(c1)N)C 1P01AGGO [0,1,0,0,0,0|3,0,0]=4 744 B11R1.157 CC(Sc1cccc(c1)Br)C 1P00ICIQ [0,1,0,0,0,0|2,0,0]=3 745 B11R1.157 CN(Cc1cccc(c1)Br)C 1P00I9A0 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.157 CN(Cc1cccc(c1)N)C 1P00BCAX [0,1,0,0,0,0|2,0,0]=3 747 B11R1.157 CN(Cc1cccc(c1)O)C 1P00EM5J [0,1,0,0,0,0|2,0,0]=3 748 B11R1.157 CN(Cc1cccc(n1)Cl)C 1P01C4OW [0,1,0,0,0,0|3,0,0]=4 749 B11R1.157 CN(Cc1ccnc(c1)Cl)C 1P019TS1 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.157 CN(Cc1ccnc(c1)N)C 1P00FZEW [0,1,0,0,0,0|3,0,0]=4 751 B11R1.157 CN(Cc1cncc(c1)N)C 1P028FHK [0,1,0,0,0,0|3,0,0]=4 752 B11R1.157 CN(Cc1nccc(c1)Cl)C 1P01BSFA [0,1,0,0,0,0|3,0,0]=4 753 B11R1.157 CN(Cc1nccc(c1)N)C 1P01A3FE [0,1,0,0,0,0|3,0,0]=4 754 B11R1.157 CS(=O)Cc1cccc(c1)N 1P01AJ7C [0,1,0,0,0,0|2,0,0]=3 755 B11R1.157 ClC(=O)Cc1cccc(c1)C 1P001AQH [0,1,0,0,0,0|2,0,1]=4 756 B11R1.157 ClC(=O)Cc1cccc(c1)Cl 1P00CB7L [0,1,0,0,0,0|2,0,1]=4 757 B11R1.157 ClC(=O)Cc1cccc(c1)F 1P00DES1 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.157 FC(Cc1cccc(c1)N)F 1P023NV9 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.157 FC(Oc1cccc(c1)Br)F 1P002SXZ [0,1,0,0,0,0|3,0,0]=4 760 B11R1.157 FC(Oc1cccc(c1)F)F 1P00CLOF [0,1,0,0,0,0|3,0,0]=4 761 B11R1.157 FC(Oc1cccc(c1)I)F 1P00D8MG [0,1,0,0,0,0|3,0,0]=4 762 B11R1.157 FC(Oc1cccc(c1)N)F 1P003IOA [0,1,0,0,0,0|3,0,0]=4 763 B11R1.157 FC(Oc1cccc(c1)N)F 1P01JL4D [0,1,0,0,0,0|3,0,0]=4 764 B11R1.157 FC(Oc1cccc(c1)O)F 1P004B8E [0,1,0,0,0,0|3,0,0]=4 765 B11R1.157 FC(Sc1cccc(c1)N)F 1P00BEXV [0,1,0,0,0,0|3,0,0]=4 766 B11R1.157 NC(=N)Cc1cccc(c1)Br 1P00HFIH [0,1,0,0,0,0|1,0,1]=3 767 B11R1.157 NC(=N)Cc1cccc(c1)Cl 1P00EQSS [0,1,0,0,0,0|1,0,1]=3 768 B11R1.157 NC(=N)Cc1cccc(c1)F 1P00IED4 [0,1,0,0,0,0|1,0,1]=3 769 B11R1.157 NC(=N)Cc1cccc(n1)Br 1P028CKE [0,1,0,0,0,0|2,0,1]=4 770 B11R1.157 NC(=N)Nc1cccc(c1)Br 1P017386 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.157 NC(=N)Nc1cccc(c1)C 1P00J5RB [0,1,0,0,0,0|2,0,1]=4 772 B11R1.157 NC(=N)Nc1cccc(c1)Cl 1P00EAGY [0,1,0,0,0,0|2,0,1]=4 773 B11R1.157 NC(=O)Cc1cc(Cl)ccn1 1P0035UY [0,1,0,0,0,0|2,0,1]=4 774 B11R1.157 NC(=O)Cc1cccc(c1)Br 1P00IB5E [0,1,0,0,0,0|1,0,1]=3 775 B11R1.157 NC(=O)Cc1cccc(c1)Cl 1P00EB7X [0,1,0,0,0,0|1,0,1]=3 776 B11R1.157 NC(=O)Cc1cccc(c1)N 1P000U3S [0,1,0,0,0,0|1,0,1]=3 777 B11R1.157 NC(=O)Cc1cccc(c1)O 1P007OXP [0,1,0,0,0,0|1,0,1]=3 778 B11R1.157 NC(=O)Cc1cncc(c1)F 1P01EM25 [0,1,0,0,0,0|2,0,1]=4 779 B11R1.157 NC(=O)Nc1cccc(c1)Br 1P003JLO [0,1,0,0,0,0|2,0,1]=4 780 B11R1.157 NC(=O)Nc1cccc(c1)Cl 1P007RKM [0,1,0,0,0,0|2,0,1]=4 781 B11R1.157 NC(=O)Nc1cccc(c1)F 1P00G38X [0,1,0,0,0,0|2,0,1]=4 782 B11R1.157 NC(=O)Nc1cccc(c1)I 1P01ELM8 [0,1,0,0,0,0|2,0,1]=4 783 B11R1.157 NC(=O)Nc1cccc(c1)N 1P00I5DL [0,1,0,0,0,0|2,0,1]=4 784 B11R1.157 NC(=O)Nc1cccc(c1)N 1P00IB20 [0,1,0,0,0,0|2,0,1]=4 785 B11R1.157 NC(=O)Nc1cccc(c1)O 1P003K1I [0,1,0,0,0,0|2,0,1]=4 786 B11R1.157 NC(=S)Cc1cccc(c1)C 1P006SWU [0,1,0,0,0,0|1,0,1]=3 787 B11R1.157 NC(=S)Cc1cccc(c1)Cl 1P004VQ7 [0,1,0,0,0,0|1,0,1]=3 788 B11R1.157 NC(=S)Cc1cccc(c1)F 1P01A5WM [0,1,0,0,0,0|1,0,1]=3 789 B11R1.157 NC(=S)Nc1cccc(c1)Br 1P003JLN [0,1,0,0,0,0|2,0,1]=4 790 B11R1.157 NC(=S)Nc1cccc(c1)C 1P00EE8Y [0,1,0,0,0,0|2,0,1]=4 791 B11R1.157 NC(=S)Nc1cccc(c1)Cl 1P003455 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.157 NC(=S)Nc1cccc(c1)F 1P003DDO [0,1,0,0,0,0|2,0,1]=4 793 B11R1.157 NC(=S)Nc1cccc(c1)O 1P003DDT [0,1,0,0,0,0|2,0,1]=4 794 B11R1.157 OC(=O)Cc1cccc(c1)Br 1P002GYM [0,1,0,0,0,0|2,0,1]=4 795 B11R1.157 OC(=O)Cc1cccc(c1)C 1P00391S [0,1,0,0,0,0|2,0,1]=4 796 B11R1.157 OC(=O)Cc1cccc(c1)Cl 1P002GYO [0,1,0,0,0,0|2,0,1]=4 797 B11R1.157 OC(=O)Cc1cccc(c1)F 1P00346B [0,1,0,0,0,0|2,0,1]=4 798 B11R1.157 OC(=O)Cc1cccc(c1)I 1P002GYK [0,1,0,0,0,0|2,0,1]=4 799 B11R1.157 OC(=O)Cc1cccc(c1)N 1P003JEL [0,1,0,0,0,0|2,0,1]=4 800 B11R1.157 OC(=O)Cc1cccc(c1)N 1P01AHAA [0,1,0,0,0,0|2,0,1]=4 801 B11R1.157 OC(=O)Cc1cccc(c1)O 1P00346V [0,1,0,0,0,0|2,0,1]=4 802 B11R1.157 OS(=O)Cc1cccc(c1)F 1P01EJ0K [0,1,0,0,0,0|3,0,0]=4 803 B11R1.157 [O-][N+](=O)Cc1cccc(c1)F 1P027AF5 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.509 CC(Cc1ccccc1)(C)C 1P000347 [0,1,0,0,0,0|1,0,0]=2 805 B11R1.509 CC(Cc1ccccc1)(Cl)C 1P0021FA [0,1,0,0,0,0|1,0,0]=2 806 B11R1.509 CC(Cc1ccccc1)(O)C 1P003I27 [0,1,0,0,0,0|1,0,0]=2 807 B11R1.509 CC(Nc1ccccc1)(C)C 1P01RVL9 [0,1,0,0,0,0|2,0,0]=3 808 B11R1.509 CC(Nc1ccncc1)(C)C 1P00CHAQ [0,1,0,0,0,0|3,0,0]=4 809 B11R1.509 CC(Oc1ccccc1)(C)C 1P0035XZ [0,1,0,0,0,0|2,0,0]=3 810 B11R1.509 CC(Oc1ccccn1)(C)C 1P00G9RF [0,1,0,0,0,0|3,0,0]=4 811 B11R1.509 CC(Oc1cccnc1)(C)C 1P00CHSG [0,1,0,0,0,0|3,0,0]=4 812 B11R1.509 CP(=O)(Cc1ccccc1)C 1P00765L [0,1,0,0,0,0|2,0,0]=3 813 B11R1.509 CS(=O)(=N)Cc1ccccc1 1P007ADZ [0,1,0,0,0,0|1,0,1]=3 814 B11R1.509 CS(=O)(=N)Nc1ccccc1 1P028N9M [0,1,0,0,0,0|2,0,1]=4 815 B11R1.509 CS(=O)(=O)Cc1ccccc1 1P0032MN [0,1,0,0,0,0|2,0,0]=3 816 B11R1.509 CS(=O)(=O)Nc1ccccc1 1P000PXK [0,1,0,0,0,0|3,0,0]=4 817 B11R1.509 CS(=O)(=O)Oc1ccccc1 1P001W62 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0000OI [0,1,0,0,0,0|2,0,0]=3 819 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P000FZG [0,1,0,0,0,0|2,0,0]=3 820 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z5 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z6 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM0 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM2 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM3 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.509 C[N+](Cc1ccccn1)(C)C 1P01XCPQ [0,1,0,0,0,0|3,0,0]=4 826 B11R1.509 C[N+](Cc1ccncc1)(C)C 1P01XCHT [0,1,0,0,0,0|3,0,0]=4 827 B11R1.509 C[Si](Cc1ccccc1)(C)C 1P0034Z7 [0,1,0,0,0,0|1,1,0]=3 828 B11R1.509 C[Si](Cc1ccccc1)(Cl)C 1P0027YB [0,1,0,0,0,0|1,1,0]=3 829 B11R1.509 C[Si](Oc1ccccc1)(C)C 1P00367Y [0,1,0,0,0,0|2,1,0]=4 830 B11R1.509 C[Si](Sc1ccccc1)(C)C 1P003U76 [0,1,0,0,0,0|2,1,0]=4 831 B11R1.509 ClS(=O)(=O)Cc1ccccc1 1P00I3I0 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.509 FC(Cc1ccccc1)(F)F 1P00BJVJ [0,1,0,0,0,0|2,0,0]=3 833 B11R1.509 FC(Oc1ccccc1)(F)F 1P0032YF [0,1,0,0,0,0|3,0,0]=4 834 B11R1.509 FC(Sc1ccccc1)(Br)F 1P005QAS [0,1,0,0,0,0|3,0,0]=4 835 B11R1.509 FC(Sc1ccccc1)(F)F 1P00367N [0,1,0,0,0,0|3,0,0]=4 836 B11R1.509 FC([Hg]c1ccccc1)(F)F 1P002QC3 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.509 FS(=O)(=O)Cc1ccccc1 1P00I6RD [0,1,0,0,0,0|3,0,0]=4 838 B11R1.509 F[B-](Cc1ccccc1)(F)F 1P00BY6E [0,1,0,0,0,0|3,0,0]=4 839 B11R1.509 NP(=O)(Oc1ccccc1)N 1P003U6N [0,1,0,0,0,0|3,0,0]=4 840 B11R1.509 NS(=O)(=O)Cc1ccccc1 1P0036ER [0,1,0,0,0,0|2,0,0]=3 841 B11R1.509 NS(=O)(=O)Cc1ccccn1 1P00GYX4 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.509 NS(=O)(=O)Cc1cccnc1 1P00G4IE [0,1,0,0,0,0|3,0,0]=4 843 B11R1.509 NS(=O)(=O)Cc1ccncc1 1P01B3BI [0,1,0,0,0,0|3,0,0]=4 844 B11R1.509 NS(=O)(=O)Nc1ccccc1 1P001RNX [0,1,0,0,0,0|3,0,0]=4 845 B11R1.509 NS(=O)(=O)Oc1ccccc1 1P002BNO [0,1,0,0,0,0|3,0,0]=4 846 B11R1.509 OP(=O)(Cc1ccccc1)O 1P003OLT [0,1,0,0,0,0|3,0,0]=4 847 B11R1.509 [O-]S(=O)(=O)Cc1ccccc1 1P00F1DQ [0,1,0,0,0,0|3,0,0]=4 848 B9R0.2 C=CC=CC=CCC(=O)C 1P0286AW [0,0,1,0,0,0|1,0,1]=3 849 B11R2.4 BrC1CC1c2ccccc2 1P00CRS3 [0,0,0,1,0,0|1,0,0]=2 850 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 1P01BA83 [0,0,0,1,0,0|1,0,0]=2 851 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [0,0,0,1,0,0|1,0,0]=2 852 B11R2.4 CC1CC1c2ccncc2 1P01EYE6 [0,0,0,1,0,0|2,0,0]=3 853 B11R2.4 CC1NC1c2ccccc2 1P005T2D [0,0,0,1,0,0|0,0,0]=1 854 B11R2.4 CN1C[C@@H]1c2ccccc2 1P01EJ8O [0,0,0,1,0,0|2,0,0]=3 855 B11R2.4 CN1C[C@H]1c2ccccc2 1P01EJ96 [0,0,0,1,0,0|2,0,0]=3 856 B11R2.4 NC1CC1c2ccccc2 1P00E0CT [0,0,0,1,0,0|0,0,0]=1 857 B11R2.4 NC1CC1c2ccccc2 1P00EKHZ [0,0,0,1,0,0|0,0,0]=1 858 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 1P01JUMX [0,0,0,1,0,0|0,0,0]=1 859 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P002C46 [0,0,0,1,0,0|0,0,0]=1 860 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P0036EW [0,0,0,1,0,0|0,0,0]=1 861 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P009AYV [0,0,0,1,0,0|0,0,0]=1 862 B11R2.4 N[C@H]1CC1c2ccccc2 1P00DK73 [0,0,0,1,0,0|0,0,0]=1 863 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 1P003AUO [0,0,0,1,0,0|0,0,0]=1 864 B11R2.4 N[C@H]1C[C@@H]1c2cccnc2 1P00JQJ5 [0,0,0,1,0,0|1,0,0]=2 865 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 1P00DDXS [0,0,0,1,0,0|0,0,0]=1 866 B11R2.10 BrC1=Cc2c(C1)cccc2 1P003H8N [0,0,0,1,0,0|1,0,2]=4 867 B11R2.10 BrC1Cc2c(C1)cccc2 1P0024Z3 [0,0,0,1,0,0|1,0,0]=2 868 B11R2.10 Brc1nc2c([nH]1)cccc2 1P003H88 [0,0,0,1,0,0|2,0,1]=4 869 B11R2.10 CC1=Cc2c(C1)cccc2 1P00BVKD [0,0,0,1,0,0|1,0,1]=3 870 B11R2.10 CC1Cc2c(C1)cccc2 1P0036Z1 [0,0,0,1,0,0|1,0,0]=2 871 B11R2.10 CC1Cc2c(N1)cccc2 1P003BPY [0,0,0,1,0,0|0,0,0]=1 872 B11R2.10 CC1Cc2c(N1)ccnc2 1P01AMN5 [0,0,0,1,0,0|1,0,0]=2 873 B11R2.10 CC1Cc2c(N1)nccc2 1P00GA8F [0,0,0,1,0,0|1,0,0]=2 874 B11R2.10 CC1Cc2c(O1)cccc2 1P00209S [0,0,0,1,0,0|1,0,0]=2 875 B11R2.10 CN1Sc2c(S1)cccc2 1P01C5O0 [0,0,0,1,0,0|3,0,0]=4 876 B11R2.10 C[C@@H]1Cc2c(N1)cccc2 1P00BJBQ [0,0,0,1,0,0|0,0,0]=1 877 B11R2.10 C[C@H]1Cc2c(N1)cccc2 1P0070A1 [0,0,0,1,0,0|0,0,0]=1 878 B11R2.10 Cc1cc2c([nH]1)cccc2 1P003I67 [0,0,0,1,0,0|0,0,2]=3 879 B11R2.10 Cc1cc2c([nH]1)cccn2 1P00FDS9 [0,0,0,1,0,0|1,0,2]=4 880 B11R2.10 Cc1cc2c([nH]1)ccnc2 1P000AOM [0,0,0,1,0,0|1,0,2]=4 881 B11R2.10 Cc1cc2c([nH]1)cncc2 1P00FD1N [0,0,0,1,0,0|1,0,2]=4 882 B11R2.10 Cc1cc2c([nH]1)nccc2 1P002OD8 [0,0,0,1,0,0|1,0,2]=4 883 B11R2.10 Cc1cc2c(o1)cccc2 1P003I5F [0,0,0,1,0,0|1,0,2]=4 884 B11R2.10 Cc1cc2c(s1)cccc2 1P000JCJ [0,0,0,1,0,0|1,0,2]=4 885 B11R2.10 Cc1nc2c([nH]1)cccc2 1P003I5B [0,0,0,1,0,0|1,0,1]=3 886 B11R2.10 Cc1nc2c([nH]1)cccn2 1P005ZCI [0,0,0,1,0,0|2,0,1]=4 887 B11R2.10 Cc1nc2c([nH]1)cncc2 1P00EDR9 [0,0,0,1,0,0|2,0,1]=4 888 B11R2.10 Cc1nc2c([nH]1)nccc2 1P00J2H2 [0,0,0,1,0,0|2,0,1]=4 889 B11R2.10 Cc1nc2c(s1)cccc2 1P000QIA [0,0,0,1,0,0|1,0,2]=4 890 B11R2.10 Clc1cc2c([nH]1)cccc2 1P00FGG8 [0,0,0,1,0,0|1,0,2]=4 891 B11R2.10 Clc1nc2c([nH]1)cccc2 1P003HID [0,0,0,1,0,0|2,0,1]=4 892 B11R2.10 Cn1cc2c(n1)cccc2 1P006XAP [0,0,0,1,0,0|1,0,2]=4 893 B11R2.10 Cn1nc2c(n1)cccc2 1P00AQEC [0,0,0,1,0,0|2,0,1]=4 894 B11R2.10 Fc1cc2c([nH]1)cccc2 1P01DNNI [0,0,0,1,0,0|1,0,2]=4 895 B11R2.10 IC1Cc2c(C1)cccc2 1P00BJI6 [0,0,0,1,0,0|1,0,0]=2 896 B11R2.10 Ic1cc2c([nH]1)cccc2 1P002TAV [0,0,0,1,0,0|1,0,2]=4 897 B11R2.10 NC1Cc2c(C1)cccc2 1P002NHZ [0,0,0,1,0,0|0,0,0]=1 898 B11R2.10 NC1Cc2c(C1)cccc2 1P002ZR8 [0,0,0,1,0,0|0,0,0]=1 899 B11R2.10 NC1Cc2c(C1)cccn2 1P01EIL9 [0,0,0,1,0,0|1,0,0]=2 900 B11R2.10 NC1Cc2c(C1)ccnc2 1P01C2HM [0,0,0,1,0,0|1,0,0]=2 901 B11R2.10 NC1Cc2c(C1)nccn2 1P0285HC [0,0,0,1,0,0|2,0,0]=3 902 B11R2.10 NN1Cc2c(C1)cccc2 1P00DIHZ [0,0,0,1,0,0|1,0,0]=2 903 B11R2.10 Nc1cc2c([nH]1)cccc2 1P00C33H [0,0,0,1,0,0|1,0,2]=4 904 B11R2.10 Nc1cc2c(s1)cccc2 1P00DKVI [0,0,0,1,0,0|1,0,2]=4 905 B11R2.10 Nc1nc2c([nH]1)cccc2 1P0063TV [0,0,0,1,0,0|2,0,1]=4 906 B11R2.10 Nc1nc2c(o1)cccc2 1P0033KR [0,0,0,1,0,0|2,0,1]=4 907 B11R2.10 Nc1nc2c(s1)cccc2 1P003H1F [0,0,0,1,0,0|2,0,1]=4 908 B11R2.10 Nc1nc2c(s1)cccc2 1P00IJ00 [0,0,0,1,0,0|2,0,1]=4 909 B11R2.10 Nn1nc2c(n1)cccc2 1P001SWU [0,0,0,1,0,0|3,0,0]=4 910 B11R2.10 O=C1Cc2c(C1)cccc2 1P003HWU [0,0,0,1,0,0|1,0,1]=3 911 B11R2.10 O=C1Cc2c(N1)cccc2 1P003RGZ [0,0,0,1,0,0|1,0,1]=3 912 B11R2.10 O=C1Cc2c(N1)ccnc2 1P007MBX [0,0,0,1,0,0|2,0,1]=4 913 B11R2.10 O=C1Cc2c(N1)cncc2 1P002Z4A [0,0,0,1,0,0|2,0,1]=4 914 B11R2.10 O=C1Cc2c(N1)cncc2 1P00DCAB [0,0,0,1,0,0|2,0,1]=4 915 B11R2.10 O=C1Cc2c(N1)nccc2 1P00381R [0,0,0,1,0,0|2,0,1]=4 916 B11R2.10 O=C1Cc2c(N1)nccc2 1P00HX1N [0,0,0,1,0,0|2,0,1]=4 917 B11R2.10 O=C1Cc2c(O1)cccc2 1P00IABW [0,0,0,1,0,0|2,0,1]=4 918 B11R2.10 O=C1Nc2c(C1)nccc2 1P003834 [0,0,0,1,0,0|2,0,1]=4 919 B11R2.10 O=c1[nH]c2c([nH]1)cccc2 1P00IBCA [0,0,0,1,0,0|2,0,1]=4 920 B11R2.10 O=c1sc2c([nH]1)cccc2 1P003HVZ [0,0,0,1,0,0|2,0,1]=4 921 B11R2.10 OC1Cc2c(C1)cccc2 1P00I8P0 [0,0,0,1,0,0|1,0,0]=2 922 B11R2.10 Oc1cc2c([nH]1)cccc2 1P00ALC2 [0,0,0,1,0,0|1,0,2]=4 923 B11R2.10 S=C1Cc2c(N1)cccc2 1P00DAOH [0,0,0,1,0,0|1,0,1]=3 924 B11R2.10 S=c1sc2c([nH]1)cccc2 1P002QCO [0,0,0,1,0,0|2,0,1]=4 925 B11R2.10 S=c1sc2c([nH]1)cccc2 1P00HYRI [0,0,0,1,0,0|2,0,1]=4 926 B11R2.10 SC1Cc2c(C1)cccc2 1P01ALGM [0,0,0,1,0,0|1,0,0]=2 927 B11R2.10 Sc1nc2c([nH]1)cccc2 1P0033U1 [0,0,0,1,0,0|2,0,1]=4 928 B11R2.59 CC1(N)Cc2c1cccc2 1P01B2EM [0,0,0,1,0,0|0,0,0]=1 929 B11R2.238 C1CC1Cc2ccccc2 1P001XDJ [0,0,0,1,0,0|1,0,0]=2 930 B11R2.238 C1CC1Nc2ccccc2 1P00CHSB [0,0,0,1,0,0|2,0,0]=3 931 B11R2.238 C1CC1Nc2ccncc2 1P01BI31 [0,0,0,1,0,0|3,0,0]=4 932 B11R2.238 C1CC1Sc2ccccc2 1P001EDN [0,0,0,1,0,0|2,0,0]=3 933 B11R2.238 N1CC1Cc2ccccc2 1P001AL5 [0,0,0,1,0,0|0,0,0]=1 934 B11R2.238 N1C[C@@H]1Cc2ccccc2 1P003D1R [0,0,0,1,0,0|0,0,0]=1 935 B11R2.238 O1CC1Cc2ccccc2 1P00D8Y6 [0,0,0,1,0,0|1,0,0]=2 936 B11R2.238 O1C[C@@H]1Cc2ccccc2 1P01IZ8T [0,0,0,1,0,0|1,0,0]=2 937 B11R2.238 O1C[C@H]1Cc2ccccc2 1P006BHY [0,0,0,1,0,0|1,0,0]=2 938 B11R2.238 c1ccc(cc1)C=C2CC2 1P005KLZ [0,0,0,1,0,0|1,0,2]=4 939 B11R2.238 c1ccc(cn1)NC2CC2 1P00D5LO [0,0,0,1,0,0|3,0,0]=4 940 B9R1.6 BrC(=C)c1ccccc1 1P003AO1 [0,0,0,0,1,0|1,0,2]=4 941 B9R1.6 BrC(=O)c1ccccc1 1P003OJM [0,0,0,0,1,0|2,0,1]=4 942 B9R1.6 C(=O)([2H])c1ccccc1 1P00CKBV [0,0,0,0,1,0|2,0,1]=4 943 B9R1.6 CC(=C)c1ccccn1 1P00ELW9 [0,0,0,0,1,0|2,0,1]=4 944 B9R1.6 CC(=C)c1cccnc1 1P00B5O7 [0,0,0,0,1,0|2,0,1]=4 945 B9R1.6 CC(=O)c1ccccc1 1P0036AX [0,0,0,0,1,0|1,0,1]=3 946 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [0,0,0,0,1,0|2,0,1]=4 947 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [0,0,0,0,1,0|2,0,1]=4 948 B9R1.6 CC(=O)c1ccncc1 1P003L3Q [0,0,0,0,1,0|2,0,1]=4 949 B9R1.6 CC([n+]1ccccc1)C 1P01ERR5 [0,0,0,0,1,0|2,0,0]=3 950 B9R1.6 CC(c1ccccc1)Br 1P003BVV [0,0,0,0,1,0|1,0,0]=2 951 B9R1.6 CC(c1ccccc1)C 1P0032S0 [0,0,0,0,1,0|1,0,0]=2 952 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [0,0,0,0,1,0|1,0,0]=2 953 B9R1.6 CC(c1ccccc1)N 1P00369W [0,0,0,0,1,0|0,0,0]=1 954 B9R1.6 CC(c1ccccc1)N 1P009X79 [0,0,0,0,1,0|0,0,0]=1 955 B9R1.6 CC(c1ccccc1)S 1P003COW [0,0,0,0,1,0|1,0,0]=2 956 B9R1.6 CC(c1ccccn1)Br 1P005XKU [0,0,0,0,1,0|2,0,0]=3 957 B9R1.6 CC(c1ccccn1)Br 1P019XVD [0,0,0,0,1,0|2,0,0]=3 958 B9R1.6 CC(c1ccccn1)C 1P00E98K [0,0,0,0,1,0|2,0,0]=3 959 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [0,0,0,0,1,0|2,0,0]=3 960 B9R1.6 CC(c1ccccn1)N 1P0039UO [0,0,0,0,1,0|1,0,0]=2 961 B9R1.6 CC(c1ccccn1)N 1P003DC9 [0,0,0,0,1,0|1,0,0]=2 962 B9R1.6 CC(c1ccccn1)O 1P003F63 [0,0,0,0,1,0|2,0,0]=3 963 B9R1.6 CC(c1cccnc1)Br 1P019XJX [0,0,0,0,1,0|2,0,0]=3 964 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [0,0,0,0,1,0|2,0,0]=3 965 B9R1.6 CC(c1cccnc1)N 1P000HRO [0,0,0,0,1,0|1,0,0]=2 966 B9R1.6 CC(c1cccnc1)N 1P003DEG [0,0,0,0,1,0|1,0,0]=2 967 B9R1.6 CC(c1cccnc1)O 1P003IG7 [0,0,0,0,1,0|2,0,0]=3 968 B9R1.6 CC(c1cccnn1)Cl 1P02519E [0,0,0,0,1,0|3,0,0]=4 969 B9R1.6 CC(c1cccnn1)N 1P01KX69 [0,0,0,0,1,0|2,0,0]=3 970 B9R1.6 CC(c1cccnn1)O 1P00HZKK [0,0,0,0,1,0|3,0,0]=4 971 B9R1.6 CC(c1ccncc1)Br 1P019XJY [0,0,0,0,1,0|2,0,0]=3 972 B9R1.6 CC(c1ccncc1)C 1P003M2H [0,0,0,0,1,0|2,0,0]=3 973 B9R1.6 CC(c1ccncc1)Cl 1P0169EG [0,0,0,0,1,0|2,0,0]=3 974 B9R1.6 CC(c1ccncc1)N 1P001ZXP [0,0,0,0,1,0|1,0,0]=2 975 B9R1.6 CC(c1ccncc1)N 1P003DHP [0,0,0,0,1,0|1,0,0]=2 976 B9R1.6 CC(c1ccncc1)N 1P01C1JO [0,0,0,0,1,0|1,0,0]=2 977 B9R1.6 CC(c1ccncc1)O 1P002NIX [0,0,0,0,1,0|2,0,0]=3 978 B9R1.6 CC(c1ccncn1)N 1P000P00 [0,0,0,0,1,0|2,0,0]=3 979 B9R1.6 CC(c1ccnnc1)N 1P0003H4 [0,0,0,0,1,0|2,0,0]=3 980 B9R1.6 CC(c1ccnnc1)N 1P00HDEA [0,0,0,0,1,0|2,0,0]=3 981 B9R1.6 CC(c1ccnnc1)O 1P0282XW [0,0,0,0,1,0|3,0,0]=4 982 B9R1.6 CC(c1cnccn1)Cl 1P000Z2P [0,0,0,0,1,0|3,0,0]=4 983 B9R1.6 CC(c1cnccn1)N 1P0027E6 [0,0,0,0,1,0|2,0,0]=3 984 B9R1.6 CC(c1cnccn1)O 1P00IIZX [0,0,0,0,1,0|3,0,0]=4 985 B9R1.6 CC(c1cncnc1)N 1P01K4D6 [0,0,0,0,1,0|2,0,0]=3 986 B9R1.6 CC(c1cncnc1)O 1P00G5BU [0,0,0,0,1,0|3,0,0]=4 987 B9R1.6 CC(c1ncccn1)Cl 1P01BV6J [0,0,0,0,1,0|3,0,0]=4 988 B9R1.6 CC(c1ncccn1)N 1P001W91 [0,0,0,0,1,0|2,0,0]=3 989 B9R1.6 CC(c1ncccn1)N 1P01EIIZ [0,0,0,0,1,0|2,0,0]=3 990 B9R1.6 CC(c1ncccn1)O 1P00E3YR [0,0,0,0,1,0|3,0,0]=4 991 B9R1.6 CC(c1nccnc1)N 1P01EII2 [0,0,0,0,1,0|2,0,0]=3 992 B9R1.6 CN(c1ccccc1)C 1P003T1K [0,0,0,0,1,0|2,0,0]=3 993 B9R1.6 CN(c1ccccc1)N 1P003EY0 [0,0,0,0,1,0|1,0,0]=2 994 B9R1.6 CN(c1ccccc1)N 1P00EKZW [0,0,0,0,1,0|1,0,0]=2 995 B9R1.6 CN(c1ccccn1)C 1P003BOB [0,0,0,0,1,0|3,0,0]=4 996 B9R1.6 CN(c1ccccn1)N 1P00736N [0,0,0,0,1,0|2,0,0]=3 997 B9R1.6 CN(c1cccnc1)C 1P0075WN [0,0,0,0,1,0|3,0,0]=4 998 B9R1.6 CN(c1ccncc1)C 1P0034HE [0,0,0,0,1,0|3,0,0]=4 999 B9R1.6 CN(c1ccncc1)C 1P003LRE [0,0,0,0,1,0|3,0,0]=4 1000 B9R1.6 CN(c1ccncc1)N 1P01E1AT [0,0,0,0,1,0|2,0,0]=3 1001 B9R1.6 CN(c1cnccn1)N 1P00G9SO [0,0,0,0,1,0|3,0,0]=4 1002 B9R1.6 CN(c1ncccn1)N 1P00E5BO [0,0,0,0,1,0|3,0,0]=4 1003 B9R1.6 CP(c1ccccc1)C 1P003Q45 [0,0,0,0,1,0|2,0,0]=3 1004 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [0,0,0,0,1,0|2,0,0]=3 1005 B9R1.6 CP(c1ccncc1)C 1P028LIG [0,0,0,0,1,0|3,0,0]=4 1006 B9R1.6 CS(=O)c1ccccc1 1P000J0D [0,0,0,0,1,0|2,0,0]=3 1007 B9R1.6 CS(=O)c1ccccn1 1P006YWW [0,0,0,0,1,0|3,0,0]=4 1008 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [0,0,0,0,1,0|0,0,0]=1 1009 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [0,0,0,0,1,0|1,0,0]=2 1010 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [0,0,0,0,1,0|1,0,0]=2 1011 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [0,0,0,0,1,0|1,0,0]=2 1012 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [0,0,0,0,1,0|1,0,0]=2 1013 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [0,0,0,0,1,0|2,0,0]=3 1014 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [0,0,0,0,1,0|1,0,0]=2 1015 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [0,0,0,0,1,0|1,0,0]=2 1016 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [0,0,0,0,1,0|2,0,0]=3 1017 B9R1.6 C[C@@H](c1ccncc1)N 1P002VET [0,0,0,0,1,0|1,0,0]=2 1018 B9R1.6 C[C@@H](c1ccncc1)N 1P00CNEB [0,0,0,0,1,0|1,0,0]=2 1019 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [0,0,0,0,1,0|2,0,0]=3 1020 B9R1.6 C[C@@H](c1ccncn1)O 1P01C1ND [0,0,0,0,1,0|3,0,0]=4 1021 B9R1.6 C[C@@H](c1cnccn1)O 1P01AJZA [0,0,0,0,1,0|3,0,0]=4 1022 B9R1.6 C[C@@H](c1ncccn1)N 1P01JVFK [0,0,0,0,1,0|2,0,0]=3 1023 B9R1.6 C[C@@H](c1ncccn1)O 1P01JV8C [0,0,0,0,1,0|3,0,0]=4 1024 B9R1.6 C[C@@H](c1nccnc1)N 1P01B2Z8 [0,0,0,0,1,0|2,0,0]=3 1025 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [0,0,0,0,1,0|0,0,0]=1 1026 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [0,0,0,0,1,0|0,0,0]=1 1027 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [0,0,0,0,1,0|1,0,0]=2 1028 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [0,0,0,0,1,0|1,0,0]=2 1029 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [0,0,0,0,1,0|1,0,0]=2 1030 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [0,0,0,0,1,0|1,0,0]=2 1031 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [0,0,0,0,1,0|2,0,0]=3 1032 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [0,0,0,0,1,0|1,0,0]=2 1033 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [0,0,0,0,1,0|1,0,0]=2 1034 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [0,0,0,0,1,0|1,0,0]=2 1035 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [0,0,0,0,1,0|2,0,0]=3 1036 B9R1.6 C[C@H](c1cccnn1)O 1P024TVV [0,0,0,0,1,0|3,0,0]=4 1037 B9R1.6 C[C@H](c1ccncc1)N 1P0004FL [0,0,0,0,1,0|1,0,0]=2 1038 B9R1.6 C[C@H](c1ccncc1)N 1P00DLCH [0,0,0,0,1,0|1,0,0]=2 1039 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [0,0,0,0,1,0|2,0,0]=3 1040 B9R1.6 C[C@H](c1cnccn1)N 1P000X0F [0,0,0,0,1,0|2,0,0]=3 1041 B9R1.6 C[C@H](c1cnccn1)O 1P01AJZ9 [0,0,0,0,1,0|3,0,0]=4 1042 B9R1.6 C[C@H](c1ncccn1)N 1P01JV18 [0,0,0,0,1,0|2,0,0]=3 1043 B9R1.6 C[C@H](c1ncccn1)O 1P00CKTT [0,0,0,0,1,0|3,0,0]=4 1044 B9R1.6 C[C@H](c1nccnc1)N 1P01C72C [0,0,0,0,1,0|2,0,0]=3 1045 B9R1.6 C[Si](c1ccccc1)C 1P00358B [0,0,0,0,1,0|1,1,0]=3 1046 B9R1.6 ClB(c1ccccc1)Cl 1P004HX5 [0,0,0,0,1,0|3,0,0]=4 1047 B9R1.6 ClC(=O)c1ccccc1 1P00374M [0,0,0,0,1,0|2,0,1]=4 1048 B9R1.6 ClC(=S)c1ccccc1 1P01E7HC [0,0,0,0,1,0|2,0,1]=4 1049 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [0,0,0,0,1,0|2,0,0]=3 1050 B9R1.6 ClC(c1ccccn1)Cl 1P00DBTE [0,0,0,0,1,0|3,0,0]=4 1051 B9R1.6 ClP(c1ccccc1)Cl 1P0035XX [0,0,0,0,1,0|3,0,0]=4 1052 B9R1.6 ClS(=O)c1ccccc1 1P00DHD9 [0,0,0,0,1,0|3,0,0]=4 1053 B9R1.6 Cl[I](c1ccccc1)Cl 1P0037A2 [0,0,0,0,1,0|3,0,0]=4 1054 B9R1.6 FC(=C)c1ccccc1 1P005W4Z [0,0,0,0,1,0|1,0,2]=4 1055 B9R1.6 FC(=O)c1ccccc1 1P00D8I4 [0,0,0,0,1,0|2,0,1]=4 1056 B9R1.6 FC(c1ccccc1)Br 1P020M24 [0,0,0,0,1,0|2,0,0]=3 1057 B9R1.6 FC(c1ccccc1)F 1P00DCHS [0,0,0,0,1,0|2,0,0]=3 1058 B9R1.6 FC(c1ccccn1)F 1P000EX6 [0,0,0,0,1,0|3,0,0]=4 1059 B9R1.6 FC(c1cccnc1)F 1P005KXX [0,0,0,0,1,0|3,0,0]=4 1060 B9R1.6 FC(c1ccncc1)F 1P003KO8 [0,0,0,0,1,0|3,0,0]=4 1061 B9R1.6 NC(=N)c1ccccc1 1P002J4G [0,0,0,0,1,0|1,0,1]=3 1062 B9R1.6 NC(=N)c1ccccc1 1P0034Y8 [0,0,0,0,1,0|1,0,1]=3 1063 B9R1.6 NC(=N)c1ccccc1 1P003OH8 [0,0,0,0,1,0|1,0,1]=3 1064 B9R1.6 NC(=N)c1ccccc1 1P00FJIS [0,0,0,0,1,0|1,0,1]=3 1065 B9R1.6 NC(=N)c1ccccn1 1P0035Y9 [0,0,0,0,1,0|2,0,1]=4 1066 B9R1.6 NC(=N)c1cccnc1 1P002N4J [0,0,0,0,1,0|2,0,1]=4 1067 B9R1.6 NC(=N)c1cccnc1 1P003KCV [0,0,0,0,1,0|2,0,1]=4 1068 B9R1.6 NC(=N)c1cccnc1 1P00EEAY [0,0,0,0,1,0|2,0,1]=4 1069 B9R1.6 NC(=N)c1ccncc1 1P0035IL [0,0,0,0,1,0|2,0,1]=4 1070 B9R1.6 NC(=N)c1ccncc1 1P00EDM3 [0,0,0,0,1,0|2,0,1]=4 1071 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [0,0,0,0,1,0|1,0,1]=3 1072 B9R1.6 NC(=O)c1ccccn1 1P003U8O [0,0,0,0,1,0|2,0,1]=4 1073 B9R1.6 NC(=O)c1cccnc1 1P00IKH0 [0,0,0,0,1,0|2,0,1]=4 1074 B9R1.6 NC(=O)c1ccncc1 1P001L8G [0,0,0,0,1,0|2,0,1]=4 1075 B9R1.6 NC(=S)c1ccccc1 1P00365I [0,0,0,0,1,0|1,0,1]=3 1076 B9R1.6 NC(=S)c1ccccn1 1P00IA0A [0,0,0,0,1,0|2,0,1]=4 1077 B9R1.6 NC(=S)c1cccnc1 1P00I915 [0,0,0,0,1,0|2,0,1]=4 1078 B9R1.6 NC(=S)c1ccncc1 1P003V92 [0,0,0,0,1,0|2,0,1]=4 1079 B9R1.6 NS(=O)c1ccccc1 1P001SKC [0,0,0,0,1,0|2,0,0]=3 1080 B9R1.6 O=N(=O)c1ccccc1 1P003TLR [0,0,0,0,1,0|3,0,0]=4 1081 B9R1.6 OB(c1ccccc1)O 1P0035XS [0,0,0,0,1,0|3,0,0]=4 1082 B9R1.6 OC(=O)c1ccccc1 1P0034YN [0,0,0,0,1,0|2,0,1]=4 1083 B9R1.6 OC(=O)c1ccccc1 1P003U1P [0,0,0,0,1,0|2,0,1]=4 1084 B9R1.6 OC(=O)c1ccccc1 1P0080KJ [0,0,0,0,1,0|2,0,1]=4 1085 B9R1.6 OC(=O)c1ccccc1 1P00GSC1 [0,0,0,0,1,0|2,0,1]=4 1086 B9R1.6 OC(=O)c1ccccc1 1P01JV1A [0,0,0,0,1,0|2,0,1]=4 1087 B9R1.6 OC(=S)c1ccccc1 1P00365J [0,0,0,0,1,0|2,0,1]=4 1088 B9R1.6 OP(=O)c1ccccc1 1P00262L [0,0,0,0,1,0|3,0,0]=4 1089 B9R1.6 OS(=O)c1ccccc1 1P00IBDR [0,0,0,0,1,0|3,0,0]=4 1090 B9R1.6 O[Se](=O)c1ccccc1 1P003OHL [0,0,0,0,1,0|3,0,0]=4 1091 B9R1.6 [O-]C(=O)c1ccccc1 1P001YXL [0,0,0,0,1,0|2,0,1]=4 1092 B9R1.6 [O-]C(=O)c1ccccc1 1P00361Z [0,0,0,0,1,0|2,0,1]=4 1093 B9R1.6 [O-]C(=O)c1ccccc1 1P003OB0 [0,0,0,0,1,0|2,0,1]=4 1094 B9R1.6 [O-]C(=O)c1ccccc1 1P003RRN [0,0,0,0,1,0|2,0,1]=4 1095 B9R1.6 [O-]C(=O)c1ccccc1 1P003UCI [0,0,0,0,1,0|2,0,1]=4 1096 B9R1.6 [O-]C(=O)c1ccccc1 1P003UPU [0,0,0,0,1,0|2,0,1]=4 1097 B9R1.6 [O-]C(=O)c1ccccc1 1P00C9FZ [0,0,0,0,1,0|2,0,1]=4 1098 B9R1.6 [O-]C(=O)c1ccccc1 1P00D9FZ [0,0,0,0,1,0|2,0,1]=4 1099 B9R1.6 [O-]C(=O)c1ccccc1 1P01DORW [0,0,0,0,1,0|2,0,1]=4 1100 B9R1.6 [O-]S(=O)c1ccccc1 1P002RKI [0,0,0,0,1,0|3,0,0]=4 1101 B9R1.6 [O-]S(=O)c1ccccc1 1P00388M [0,0,0,0,1,0|3,0,0]=4 1102 B9R1.6 [O-]S(=O)c1ccccc1 1P004L8X [0,0,0,0,1,0|3,0,0]=4 1103 B9R1.13 CC(=O)Cc1ccco1 1P003BP0 [0,0,0,0,1,0|2,0,1]=4 1104 B9R1.13 CC(=O)Cc1cccs1 1P007GZM [0,0,0,0,1,0|2,0,1]=4 1105 B9R1.13 CC(=O)Cc1cocc1 1P01BBKY [0,0,0,0,1,0|2,0,1]=4 1106 B9R1.13 CC(=O)Cc1cscc1 1P00EDS1 [0,0,0,0,1,0|2,0,1]=4 1107 B9R1.13 CC(Cc1c[nH]cc1)N 1P01DVNP [0,0,0,0,1,0|1,0,0]=2 1108 B9R1.13 CC(Cc1c[nH]nc1)C 1P028VW1 [0,0,0,0,1,0|3,0,0]=4 1109 B9R1.13 CC(Cc1c[nH]nc1)N 1P0281LL [0,0,0,0,1,0|2,0,0]=3 1110 B9R1.13 CC(Cc1cc[nH]n1)N 1P01FJWX [0,0,0,0,1,0|2,0,0]=3 1111 B9R1.13 CC(Cc1ccco1)N 1P00EAVK [0,0,0,0,1,0|1,0,0]=2 1112 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [0,0,0,0,1,0|2,0,0]=3 1113 B9R1.13 CC(Cc1cccs1)C 1P00CB7B [0,0,0,0,1,0|2,0,0]=3 1114 B9R1.13 CC(Cc1cccs1)N 1P01AAV0 [0,0,0,0,1,0|1,0,0]=2 1115 B9R1.13 CC(Cc1ccno1)O 1P01C9P6 [0,0,0,0,1,0|3,0,0]=4 1116 B9R1.13 CC(Cc1cocc1)N 1P019ZJ8 [0,0,0,0,1,0|1,0,0]=2 1117 B9R1.13 CC(Cc1cscc1)N 1P00IEEW [0,0,0,0,1,0|1,0,0]=2 1118 B9R1.13 CC(Cc1cscc1)N 1P019WY2 [0,0,0,0,1,0|1,0,0]=2 1119 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [0,0,0,0,1,0|2,0,0]=3 1120 B9R1.13 CC(Cc1n[nH]cn1)N 1P027UH0 [0,0,0,0,1,0|3,0,0]=4 1121 B9R1.13 CC(Cc1nc[nH]c1)N 1P00D351 [0,0,0,0,1,0|2,0,0]=3 1122 B9R1.13 CC(Cc1ncc[nH]1)C 1P00EERW [0,0,0,0,1,0|3,0,0]=4 1123 B9R1.13 CC(Cc1ncc[nH]1)O 1P01A054 [0,0,0,0,1,0|3,0,0]=4 1124 B9R1.13 CC(Cc1ncc[nH]1)O 1P028WTT [0,0,0,0,1,0|3,0,0]=4 1125 B9R1.13 CC(Cc1nccs1)C 1P003BP9 [0,0,0,0,1,0|3,0,0]=4 1126 B9R1.13 CC(Cn1cccn1)C 1P00ICQU [0,0,0,0,1,0|3,0,0]=4 1127 B9R1.13 CC(Cn1cccn1)O 1P019Z2N [0,0,0,0,1,0|3,0,0]=4 1128 B9R1.13 CC(Cn1cncc1)N 1P0065TX [0,0,0,0,1,0|2,0,0]=3 1129 B9R1.13 CC(Cn1cncc1)N 1P0099YG [0,0,0,0,1,0|2,0,0]=3 1130 B9R1.13 CC(Cn1cncc1)O 1P00CONW [0,0,0,0,1,0|3,0,0]=4 1131 B9R1.13 CC(Cn1cncn1)N 1P0045QL [0,0,0,0,1,0|3,0,0]=4 1132 B9R1.13 CC(Cn1cnnc1)N 1P028V4Y [0,0,0,0,1,0|3,0,0]=4 1133 B9R1.13 CN(C=C1C=CC=C1)C 1P0069DX [0,0,0,0,1,0|2,0,1]=4 1134 B9R1.13 CN(C[C-]1C=CC=C1)C 1P000X4Q [0,0,0,0,1,0|2,0,1]=4 1135 B9R1.13 CN(Cc1ccc[nH]1)C 1P00AL1G [0,0,0,0,1,0|3,0,0]=4 1136 B9R1.13 CN(Cc1ccco1)C 1P001KUW [0,0,0,0,1,0|3,0,0]=4 1137 B9R1.13 C[C@@H](Cc1cscc1)N 1P023NMT [0,0,0,0,1,0|1,0,0]=2 1138 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [0,0,0,0,1,0|2,0,0]=3 1139 B9R1.13 C[C@H](Cc1cscc1)N 1P01PIYF [0,0,0,0,1,0|1,0,0]=2 1140 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [0,0,0,0,1,0|2,0,0]=3 1141 B9R1.13 C[C@H](Cc1nc[nH]c1)N 1P005JYD [0,0,0,0,1,0|2,0,0]=3 1142 B9R1.13 C[C@H](Cc1ncco1)N 1P0280J9 [0,0,0,0,1,0|2,0,0]=3 1143 B9R1.13 C[C@H](Cn1cncc1)O 1P0281PF [0,0,0,0,1,0|3,0,0]=4 1144 B9R1.13 NC(=N)Cc1cccs1 1P00EH2I [0,0,0,0,1,0|2,0,1]=4 1145 B9R1.13 NC(=N)Cc1cscc1 1P01AAMS [0,0,0,0,1,0|2,0,1]=4 1146 B9R1.13 NC(=O)Cc1ccc[nH]1 1P00IG80 [0,0,0,0,1,0|2,0,1]=4 1147 B9R1.13 NC(=O)Cc1cccs1 1P003V97 [0,0,0,0,1,0|2,0,1]=4 1148 B9R1.13 NC(=O)Cc1cscc1 1P009XM0 [0,0,0,0,1,0|2,0,1]=4 1149 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [0,0,0,0,0,1|1,0,1]=3 1150 B11R1.91 CC(=C)COc1cccnc1 1P01BVZD [0,0,0,0,0,1|2,0,1]=4 1151 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [0,0,0,0,0,1|1,0,1]=3 1152 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [0,0,0,0,0,1|0,0,2]=3 1153 B11R1.91 CC(=O)C#Cc1ccccc1 1P0023J2 [0,0,0,0,0,1|1,0,2]=4 1154 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [0,0,0,0,0,1|1,0,2]=4 1155 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [0,0,0,0,0,1|1,0,1]=3 1156 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [0,0,0,0,0,1|2,0,1]=4 1157 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [0,0,0,0,0,1|2,0,1]=4 1158 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [0,0,0,0,0,1|2,0,1]=4 1159 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [0,0,0,0,0,1|1,0,1]=3 1160 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [0,0,0,0,0,1|1,0,1]=3 1161 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [0,0,0,0,0,1|1,0,1]=3 1162 B11R1.91 CC(=O)NCc1ccccn1 1P019LWA [0,0,0,0,0,1|2,0,1]=4 1163 B11R1.91 CC(=O)NCc1cccnc1 1P002M86 [0,0,0,0,0,1|2,0,1]=4 1164 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [0,0,0,0,0,1|2,0,1]=4 1165 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [0,0,0,0,0,1|1,0,1]=3 1166 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [0,0,0,0,0,1|2,0,1]=4 1167 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [0,0,0,0,0,1|2,0,1]=4 1168 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [0,0,0,0,0,1|1,0,1]=3 1169 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [0,0,0,0,0,1|1,0,2]=4 1170 B11R1.91 CC(C#Cc1ccccc1)O 1P00IAWU [0,0,0,0,0,1|1,0,1]=3 1171 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,0,0,0,0,1|1,0,0]=2 1172 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,0,0,0,0,1|1,0,0]=2 1173 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,0,0,0,0,1|1,0,0]=2 1174 B11R1.91 CC(CCc1ccccn1)N 1P028K2L [0,0,0,0,0,1|1,0,0]=2 1175 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [0,0,0,0,0,1|2,0,0]=3 1176 B11R1.91 CC(CCc1cccnc1)N 1P01ZZDK [0,0,0,0,0,1|1,0,0]=2 1177 B11R1.91 CC(CCc1nccnc1)C 1P003A0B [0,0,0,0,0,1|3,0,0]=4 1178 B11R1.91 CC(CNc1ccccc1)C 1P01BBFJ [0,0,0,0,0,1|1,0,0]=2 1179 B11R1.91 CC(CNc1ccccc1)N 1P01AHZV [0,0,0,0,0,1|0,0,0]=1 1180 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [0,0,0,0,0,1|1,0,0]=2 1181 B11R1.91 CC(CNc1cccnc1)C 1P01A521 [0,0,0,0,0,1|2,0,0]=3 1182 B11R1.91 CC(CNc1ncccn1)C 1P01XD74 [0,0,0,0,0,1|3,0,0]=4 1183 B11R1.91 CC(COc1ccccc1)Cl 1P003F26 [0,0,0,0,0,1|1,0,0]=2 1184 B11R1.91 CC(COc1ccccc1)N 1P00B4N7 [0,0,0,0,0,1|0,0,0]=1 1185 B11R1.91 CC(COc1ccccc1)N 1P00CASM [0,0,0,0,0,1|0,0,0]=1 1186 B11R1.91 CC(COc1ccccc1)O 1P003BIN [0,0,0,0,0,1|1,0,0]=2 1187 B11R1.91 CC(COc1cccnc1)C 1P01BVON [0,0,0,0,0,1|2,0,0]=3 1188 B11R1.91 CC(CSc1ccccc1)N 1P01ASU9 [0,0,0,0,0,1|0,0,0]=1 1189 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [0,0,0,0,0,1|1,0,0]=2 1190 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [0,0,0,0,0,1|1,0,0]=2 1191 B11R1.91 CC(NCc1ccccn1)C 1P00F2A1 [0,0,0,0,0,1|2,0,0]=3 1192 B11R1.91 CC(NCc1cccnc1)C 1P002B72 [0,0,0,0,0,1|2,0,0]=3 1193 B11R1.91 CC(NCc1cccnc1)C 1P00J3HX [0,0,0,0,0,1|2,0,0]=3 1194 B11R1.91 CC(NCc1ccncc1)C 1P00ICGY [0,0,0,0,0,1|2,0,0]=3 1195 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [0,0,0,0,0,1|1,0,0]=2 1196 B11R1.91 CN(C=Nc1ccccc1)C 1P0026DM [0,0,0,0,0,1|2,0,1]=4 1197 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [0,0,0,0,0,1|2,0,0]=3 1198 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [0,0,0,0,0,1|2,0,0]=3 1199 B11R1.91 CN(CCc1ccccn1)C 1P003F88 [0,0,0,0,0,1|3,0,0]=4 1200 B11R1.91 CN(NCc1ccccc1)C 1P005L63 [0,0,0,0,0,1|2,0,0]=3 1201 B11R1.91 C[C@@H](C=Cc1ccccc1)O 1P005S8J [0,0,0,0,0,1|1,0,1]=3 1202 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,0,0,0,0,1|1,0,0]=2 1203 B11R1.91 C[C@@H](COc1ccccc1)N 1P028UI7 [0,0,0,0,0,1|0,0,0]=1 1204 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,0,0,0,0,1|0,0,0]=1 1205 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,0,0,0,0,1|1,0,0]=2 1206 B11R1.91 C[C@H](COc1ccccc1)N 1P028USB [0,0,0,0,0,1|0,0,0]=1 1207 B11R1.91 C[C@H](\C=C\c1ccccc1)O 1P01J4Q9 [0,0,0,0,0,1|1,0,1]=3 1208 B11R1.91 ClC(=C)CSc1ccccc1 1P01EME7 [0,0,0,0,0,1|1,0,2]=4 1209 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [0,0,0,0,0,1|2,0,1]=4 1210 B11R1.91 ClC(=O)COc1ccccc1 1P003U56 [0,0,0,0,0,1|2,0,1]=4 1211 B11R1.91 FC(CNc1ccccc1)F 1P019UDQ [0,0,0,0,0,1|2,0,0]=3 1212 B11R1.91 FC(CNc1ccccc1)F 1P01AESB [0,0,0,0,0,1|2,0,0]=3 1213 B11R1.91 FC(CNc1cccnc1)F 1P028K8N [0,0,0,0,0,1|3,0,0]=4 1214 B11R1.91 FC(CNc1ccncc1)F 1P01BFZH [0,0,0,0,0,1|3,0,0]=4 1215 B11R1.91 FC(SCc1ccccc1)F 1P005MTU [0,0,0,0,0,1|2,0,0]=3 1216 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,0,0,0,0,1|1,0,1]=3 1217 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,0,0,0,0,1|1,0,1]=3 1218 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,0,0,0,0,1|1,0,1]=3 1219 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,0,0,0,0,1|1,0,1]=3 1220 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,0,0,0,0,1|1,0,1]=3 1221 B11R1.91 NC(=N)NCc1cccnc1 1P00J1YL [0,0,0,0,0,1|2,0,1]=4 1222 B11R1.91 NC(=N)NCc1ccncc1 1P00BIK2 [0,0,0,0,0,1|2,0,1]=4 1223 B11R1.91 NC(=N)NCc1ccncc1 1P01BRLV [0,0,0,0,0,1|2,0,1]=4 1224 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,0,0,0,0,1|1,0,1]=3 1225 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,0,0,0,0,1|1,0,1]=3 1226 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,0,0,0,0,1|1,0,1]=3 1227 B11R1.91 NC(=O)C#Cc1ccccc1 1P00697N [0,0,0,0,0,1|1,0,2]=4 1228 B11R1.91 NC(=O)C=Cc1ccccc1 1P00352M [0,0,0,0,0,1|1,0,2]=4 1229 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,0,0,0,0,1|1,0,1]=3 1230 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [0,0,0,0,0,1|2,0,1]=4 1231 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [0,0,0,0,0,1|2,0,1]=4 1232 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,0,0,0,0,1|1,0,1]=3 1233 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,0,0,0,0,1|1,0,1]=3 1234 B11R1.91 NC(=O)COc1cccnc1 1P01A97N [0,0,0,0,0,1|2,0,1]=4 1235 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,0,0,0,0,1|1,0,1]=3 1236 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,0,0,0,0,1|1,0,1]=3 1237 B11R1.91 NC(=O)NCc1ccccn1 1P00IRVC [0,0,0,0,0,1|2,0,1]=4 1238 B11R1.91 NC(=O)NCc1cccnc1 1P00CKKY [0,0,0,0,0,1|2,0,1]=4 1239 B11R1.91 NC(=O)NCc1ccncc1 1P01A9GM [0,0,0,0,0,1|2,0,1]=4 1240 B11R1.91 NC(=O)NNc1ccccc1 1P003F3K [0,0,0,0,0,1|2,0,1]=4 1241 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,0,0,0,0,1|1,0,1]=3 1242 B11R1.91 NC(=O)\C=C/c1ccccc1 1P0076YW [0,0,0,0,0,1|1,0,2]=4 1243 B11R1.91 NC(=O)\C=C\c1ccccc1 1P00352N [0,0,0,0,0,1|1,0,2]=4 1244 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,0,0,0,0,1|1,0,1]=3 1245 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,0,0,0,0,1|1,0,1]=3 1246 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,0,0,0,0,1|1,0,1]=3 1247 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,0,0,0,0,1|1,0,1]=3 1248 B11R1.91 NC(=S)NNc1ccccc1 1P003F2X [0,0,0,0,0,1|2,0,1]=4 1249 B11R1.91 OB(CCc1ccccc1)O 1P0035XH [0,0,0,0,0,1|3,0,0]=4 1250 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [0,0,0,0,0,1|2,0,1]=4 1251 B11R1.91 OC(=O)CNc1ccccc1 1P003TRX [0,0,0,0,0,1|2,0,1]=4 1252 B11R1.91 OC(=O)COc1ccccc1 1P0016ZP [0,0,0,0,0,1|2,0,1]=4 1253 B11R1.91 OC(=O)CSc1ccccc1 1P003CIK [0,0,0,0,0,1|2,0,1]=4 1254 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [0,0,0,0,0,1|2,0,1]=4 1255 B11R1.91 [O-]C(=O)CNc1ccccc1 1P003TRZ [0,0,0,0,0,1|2,0,1]=4 1256 B11R1.91 [O-]C(=O)COc1ccccc1 1P003UU9 [0,0,0,0,0,1|2,0,1]=4 1257 B11R1.91 [O-]C(=O)COc1ccccc1 1P00I6DB [0,0,0,0,0,1|2,0,1]=4 1258 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [0,0,0,0,0,1|3,0,0]=4 1259 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [0,0,0,0,0,1|3,0,0]=4 1260 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [0,0,0,0,0,1|2,0,1]=4 1261 B8R0.4 CCCC=CC=CCO 1P0069DV [1,0,1,0,0,0|1,0,1]=4 1262 B8R0.4 CCC\C=C\C=C\C=O 1P0030BR [1,0,1,0,0,0|1,0,0]=3 1263 B8R0.4 CCC\C=C\C=C\CO 1P00AQC5 [1,0,1,0,0,0|1,0,1]=4 1264 B8R1.2 BrCc1ccccc1 1P0000N4 [2,0,0,0,0,0|1,0,0]=3 1265 B8R1.2 BrCc1ccccn1 1P00BC33 [2,0,0,0,0,0|2,0,0]=4 1266 B8R1.2 BrCc1cccnc1 1P0033XF [2,0,0,0,0,0|2,0,0]=4 1267 B8R1.2 BrCc1ccncc1 1P00349W [2,0,0,0,0,0|2,0,0]=4 1268 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [2,0,0,0,0,0|2,0,0]=4 1269 B8R1.2 Br[Se]c1ccccc1 1P00399Q [2,0,0,0,0,0|2,0,0]=4 1270 B8R1.2 C#Cc1ccccc1 1P0037R1 [2,0,0,0,0,0|0,0,2]=4 1271 B8R1.2 C=Cc1ccccc1 1P0000N1 [2,0,0,0,0,0|0,0,2]=4 1272 B8R1.2 C=Cc1ccccc1 1P00C4A8 [2,0,0,0,0,0|0,0,2]=4 1273 B8R1.2 CCN1CC=CC=C1 1P004M7X [2,0,0,0,0,0|1,0,1]=4 1274 B8R1.2 CC[n+]1ccccc1 1P002F4L [2,0,0,0,0,0|1,0,0]=3 1275 B8R1.2 CC[n+]1ccccc1 1P002M2C [2,0,0,0,0,0|1,0,0]=3 1276 B8R1.2 CC[n+]1ccccc1 1P00CL4T [2,0,0,0,0,0|1,0,0]=3 1277 B8R1.2 CCc1ccccc1 1P0000N2 [2,0,0,0,0,0|0,0,0]=2 1278 B8R1.2 CCc1ccccn1 1P0000NJ [2,0,0,0,0,0|1,0,0]=3 1279 B8R1.2 CCc1cccnc1 1P00DE9B [2,0,0,0,0,0|1,0,0]=3 1280 B8R1.2 CCc1cccnn1 1P00BI37 [2,0,0,0,0,0|2,0,0]=4 1281 B8R1.2 CCc1ccncc1 1P003LT3 [2,0,0,0,0,0|1,0,0]=3 1282 B8R1.2 CCc1ccncn1 1P0030XP [2,0,0,0,0,0|2,0,0]=4 1283 B8R1.2 CCc1cnccn1 1P003HNC [2,0,0,0,0,0|2,0,0]=4 1284 B8R1.2 CCc1cncnc1 1P002RAM [2,0,0,0,0,0|2,0,0]=4 1285 B8R1.2 CCc1ncccn1 1P00EGF2 [2,0,0,0,0,0|2,0,0]=4 1286 B8R1.2 CNc1ccccc1 1P0000NT [2,0,0,0,0,0|1,0,0]=3 1287 B8R1.2 CNc1ccccc1 1P003TNS [2,0,0,0,0,0|1,0,0]=3 1288 B8R1.2 CNc1ccccn1 1P003TP7 [2,0,0,0,0,0|2,0,0]=4 1289 B8R1.2 CNc1cccnc1 1P00289C [2,0,0,0,0,0|2,0,0]=4 1290 B8R1.2 CNc1ccncc1 1P007CLZ [2,0,0,0,0,0|2,0,0]=4 1291 B8R1.2 COc1ccccc1 1P0000NO [2,0,0,0,0,0|1,0,0]=3 1292 B8R1.2 COc1ccccn1 1P001TWH [2,0,0,0,0,0|2,0,0]=4 1293 B8R1.2 COc1cccnc1 1P00347L [2,0,0,0,0,0|2,0,0]=4 1294 B8R1.2 COc1ccncc1 1P003M5N [2,0,0,0,0,0|2,0,0]=4 1295 B8R1.2 CSc1ccccc1 1P0000NM [2,0,0,0,0,0|1,0,0]=3 1296 B8R1.2 CSc1ccccn1 1P00AP6U [2,0,0,0,0,0|2,0,0]=4 1297 B8R1.2 CSc1cccnc1 1P002H17 [2,0,0,0,0,0|2,0,0]=4 1298 B8R1.2 CSc1ccncc1 1P00CCG6 [2,0,0,0,0,0|2,0,0]=4 1299 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [2,0,0,0,0,0|0,1,0]=3 1300 B8R1.2 ClCc1ccccn1 1P0033BZ [2,0,0,0,0,0|2,0,0]=4 1301 B8R1.2 ClCc1ccccn1 1P0073L5 [2,0,0,0,0,0|2,0,0]=4 1302 B8R1.2 ClCc1cccnc1 1P005WS5 [2,0,0,0,0,0|2,0,0]=4 1303 B8R1.2 ClCc1ccncc1 1P0023Y0 [2,0,0,0,0,0|2,0,0]=4 1304 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [2,0,0,0,0,0|2,0,0]=4 1305 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [2,0,0,0,0,0|2,0,0]=4 1306 B8R1.2 FCc1cccnc1 1P004R6V [2,0,0,0,0,0|2,0,0]=4 1307 B8R1.2 FCc1ccncc1 1P004SSU [2,0,0,0,0,0|2,0,0]=4 1308 B8R1.2 ICc1ccccc1 1P0037QF [2,0,0,0,0,0|1,0,0]=3 1309 B8R1.2 ICc1cccnc1 1P005TG6 [2,0,0,0,0,0|2,0,0]=4 1310 B8R1.2 ICc1ccncc1 1P001AK8 [2,0,0,0,0,0|2,0,0]=4 1311 B8R1.2 N#Cc1ccccc1 1P0000MW [2,0,0,0,0,0|0,0,2]=4 1312 B8R1.2 N#Cc1ccccc1 1P001LN2 [2,0,0,0,0,0|0,0,2]=4 1313 B8R1.2 N#Cc1ccccc1 1P003OQS [2,0,0,0,0,0|0,0,2]=4 1314 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [2,0,0,0,0,0|1,0,1]=4 1315 B8R1.2 NCc1ccccc1 1P0000MX [2,0,0,0,0,0|0,0,0]=2 1316 B8R1.2 NCc1ccccc1 1P003OLG [2,0,0,0,0,0|0,0,0]=2 1317 B8R1.2 NCc1ccccc1 1P00BYUK [2,0,0,0,0,0|0,0,0]=2 1318 B8R1.2 NCc1ccccc1 1P00DH5Y [2,0,0,0,0,0|0,0,0]=2 1319 B8R1.2 NCc1ccccn1 1P003IDS [2,0,0,0,0,0|1,0,0]=3 1320 B8R1.2 NCc1cccnc1 1P003UIR [2,0,0,0,0,0|1,0,0]=3 1321 B8R1.2 NCc1cccnc1 1P01XEWA [2,0,0,0,0,0|1,0,0]=3 1322 B8R1.2 NCc1cccnn1 1P00GS3J [2,0,0,0,0,0|2,0,0]=4 1323 B8R1.2 NCc1cccnn1 1P01JUG1 [2,0,0,0,0,0|2,0,0]=4 1324 B8R1.2 NCc1ccncc1 1P0034LV [2,0,0,0,0,0|1,0,0]=3 1325 B8R1.2 NCc1ccncc1 1P00ED63 [2,0,0,0,0,0|1,0,0]=3 1326 B8R1.2 NCc1ccncn1 1P000A6H [2,0,0,0,0,0|2,0,0]=4 1327 B8R1.2 NCc1ccncn1 1P0038A7 [2,0,0,0,0,0|2,0,0]=4 1328 B8R1.2 NCc1ccncn1 1P00EMBN [2,0,0,0,0,0|2,0,0]=4 1329 B8R1.2 NCc1ccnnc1 1P003AHQ [2,0,0,0,0,0|2,0,0]=4 1330 B8R1.2 NCc1ccnnc1 1P006ZTS [2,0,0,0,0,0|2,0,0]=4 1331 B8R1.2 NCc1cnccn1 1P002CZT [2,0,0,0,0,0|2,0,0]=4 1332 B8R1.2 NCc1cnccn1 1P00397Q [2,0,0,0,0,0|2,0,0]=4 1333 B8R1.2 NCc1cncnc1 1P002RBY [2,0,0,0,0,0|2,0,0]=4 1334 B8R1.2 NCc1cncnc1 1P00ILSS [2,0,0,0,0,0|2,0,0]=4 1335 B8R1.2 NCc1ncccn1 1P001ILN [2,0,0,0,0,0|2,0,0]=4 1336 B8R1.2 NCc1ncccn1 1P0033KZ [2,0,0,0,0,0|2,0,0]=4 1337 B8R1.2 NCc1ncccn1 1P005HA7 [2,0,0,0,0,0|2,0,0]=4 1338 B8R1.2 NCc1nccnc1 1P00HE98 [2,0,0,0,0,0|2,0,0]=4 1339 B8R1.2 NNc1ccccc1 1P0000NR [2,0,0,0,0,0|1,0,0]=3 1340 B8R1.2 NNc1ccccc1 1P0035XW [2,0,0,0,0,0|1,0,0]=3 1341 B8R1.2 NNc1ccccc1 1P003U6F [2,0,0,0,0,0|1,0,0]=3 1342 B8R1.2 NNc1ccccn1 1P003HU7 [2,0,0,0,0,0|2,0,0]=4 1343 B8R1.2 NNc1ccccn1 1P00DIES [2,0,0,0,0,0|2,0,0]=4 1344 B8R1.2 NNc1ccccn1 1P00I9B1 [2,0,0,0,0,0|2,0,0]=4 1345 B8R1.2 NNc1cccnc1 1P0037EA [2,0,0,0,0,0|2,0,0]=4 1346 B8R1.2 NNc1cccnc1 1P00398X [2,0,0,0,0,0|2,0,0]=4 1347 B8R1.2 NNc1cccnc1 1P003JZP [2,0,0,0,0,0|2,0,0]=4 1348 B8R1.2 NNc1ccncc1 1P002JZO [2,0,0,0,0,0|2,0,0]=4 1349 B8R1.2 NNc1ccncc1 1P01DFTQ [2,0,0,0,0,0|2,0,0]=4 1350 B8R1.2 NNc1ccncc1 1P01FD3X [2,0,0,0,0,0|2,0,0]=4 1351 B8R1.2 NOc1ccccc1 1P0037K5 [2,0,0,0,0,0|1,0,0]=3 1352 B8R1.2 O=Nc1ccccc1 1P003AHD [2,0,0,0,0,0|2,0,0]=4 1353 B8R1.2 O=[As]c1ccccc1 1P003U68 [2,0,0,0,0,0|2,0,0]=4 1354 B8R1.2 O=[I]c1ccccc1 1P0037R0 [2,0,0,0,0,0|2,0,0]=4 1355 B8R1.2 OCc1ccccc1 1P0000MS [2,0,0,0,0,0|1,0,0]=3 1356 B8R1.2 OCc1ccccn1 1P003UIQ [2,0,0,0,0,0|2,0,0]=4 1357 B8R1.2 OCc1cccnc1 1P0000NZ [2,0,0,0,0,0|2,0,0]=4 1358 B8R1.2 OCc1ccncc1 1P0034J2 [2,0,0,0,0,0|2,0,0]=4 1359 B8R1.2 OCc1ccncc1 1P00IBZH [2,0,0,0,0,0|2,0,0]=4 1360 B8R1.2 ONc1ccccc1 1P0000NP [2,0,0,0,0,0|2,0,0]=4 1361 B8R1.2 ONc1ccccc1 1P00G4MK [2,0,0,0,0,0|2,0,0]=4 1362 B8R1.2 SCc1ccccc1 1P0000O1 [2,0,0,0,0,0|1,0,0]=3 1363 B8R1.2 SCc1ccccn1 1P0029Y2 [2,0,0,0,0,0|2,0,0]=4 1364 B8R1.2 SCc1cccnc1 1P0024X6 [2,0,0,0,0,0|2,0,0]=4 1365 B8R1.2 SCc1ccncc1 1P0023XZ [2,0,0,0,0,0|2,0,0]=4 1366 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [2,0,0,0,0,0|1,0,1]=4 1367 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [2,0,0,0,0,0|1,0,0]=3 1368 B10R1.1 BrCCc1ccc(cc1)Br 1P00209O [1,1,0,0,0,0|1,0,0]=3 1369 B10R1.1 BrCCc1ccc(cc1)C 1P003M90 [1,1,0,0,0,0|1,0,0]=3 1370 B10R1.1 BrCCc1ccc(cc1)Cl 1P003LOC [1,1,0,0,0,0|1,0,0]=3 1371 B10R1.1 BrCCc1ccc(cc1)F 1P003LWF [1,1,0,0,0,0|1,0,0]=3 1372 B10R1.1 BrCCc1ccc(cc1)N 1P002TK5 [1,1,0,0,0,0|1,0,0]=3 1373 B10R1.1 BrCCc1ccc(cc1)O 1P003M0B [1,1,0,0,0,0|1,0,0]=3 1374 B10R1.1 BrCCc1ccc(cn1)F 1P028898 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.1 BrCCc1ccc(nc1)C 1P028KLW [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.1 BrCCc1ccc(nc1)Cl 1P01B9L7 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.1 Brc1ccc(cc1)C[N+]#[C-] 1P00EDQC [1,1,0,0,0,0|1,0,1]=4 1378 B10R1.1 C#CCc1ccc(cc1)Cl 1P00FHLJ [1,1,0,0,0,0|0,0,2]=4 1379 B10R1.1 C#CCc1ccc(cc1)O 1P01XIKJ [1,1,0,0,0,0|0,0,2]=4 1380 B10R1.1 C=CCc1ccc(cc1)C 1P003L3X [1,1,0,0,0,0|0,0,2]=4 1381 B10R1.1 C=CCc1ccc(cc1)Cl 1P00206A [1,1,0,0,0,0|0,0,2]=4 1382 B10R1.1 C=CCc1ccc(cc1)F 1P001ZL7 [1,1,0,0,0,0|0,0,2]=4 1383 B10R1.1 C=CCc1ccc(cc1)O 1P00395J [1,1,0,0,0,0|0,0,2]=4 1384 B10R1.1 CC=Cc1ccc(cc1)N 1P01BBOQ [1,1,0,0,0,0|0,0,2]=4 1385 B10R1.1 CCCc1ccc(cc1)Br 1P00336M [1,1,0,0,0,0|0,0,0]=2 1386 B10R1.1 CCCc1ccc(cc1)Cl 1P003U0V [1,1,0,0,0,0|0,0,0]=2 1387 B10R1.1 CCCc1ccc(cc1)N 1P003MGR [1,1,0,0,0,0|0,0,0]=2 1388 B10R1.1 CCCc1ccc(cc1)O 1P003MGY [1,1,0,0,0,0|0,0,0]=2 1389 B10R1.1 CCCc1ccc(cc1)S 1P01BL0R [1,1,0,0,0,0|0,0,0]=2 1390 B10R1.1 CCCc1ccc(nc1)Br 1P021X59 [1,1,0,0,0,0|1,0,0]=3 1391 B10R1.1 CCCc1cnc(nc1)Cl 1P003HGE [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.1 CCCc1ncc(cn1)N 1P01B8I4 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.1 CCNc1ccc(=O)[nH]c1 1P027YPW [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.1 CCNc1ccc(cc1)Br 1P006DFE [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.1 CCNc1ccc(cc1)C 1P003THH [1,1,0,0,0,0|1,0,0]=3 1396 B10R1.1 CCNc1ccc(cc1)C 1P028OAS [1,1,0,0,0,0|1,0,0]=3 1397 B10R1.1 CCNc1ccc(cc1)Cl 1P003TGK [1,1,0,0,0,0|1,0,0]=3 1398 B10R1.1 CCNc1ccc(cc1)Cl 1P01C86E [1,1,0,0,0,0|1,0,0]=3 1399 B10R1.1 CCNc1ccc(cc1)F 1P00C75E [1,1,0,0,0,0|1,0,0]=3 1400 B10R1.1 CCNc1ccc(cc1)F 1P00DZVM [1,1,0,0,0,0|1,0,0]=3 1401 B10R1.1 CCNc1ccc(cc1)N 1P00F0BQ [1,1,0,0,0,0|1,0,0]=3 1402 B10R1.1 CCNc1ccc(cc1)O 1P00FTY5 [1,1,0,0,0,0|1,0,0]=3 1403 B10R1.1 CCNc1ccc(cc1)O 1P01BD6C [1,1,0,0,0,0|1,0,0]=3 1404 B10R1.1 CCNc1ccc(cn1)Br 1P004TLN [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.1 CCNc1ccc(cn1)N 1P00E2O4 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.1 CCOc1ccc(cc1)Br 1P003LHI [1,1,0,0,0,0|1,0,0]=3 1407 B10R1.1 CCOc1ccc(cc1)C 1P00EAI5 [1,1,0,0,0,0|1,0,0]=3 1408 B10R1.1 CCOc1ccc(cc1)Cl 1P003LOF [1,1,0,0,0,0|1,0,0]=3 1409 B10R1.1 CCOc1ccc(cc1)F 1P003EQY [1,1,0,0,0,0|1,0,0]=3 1410 B10R1.1 CCOc1ccc(cc1)I 1P003LS2 [1,1,0,0,0,0|1,0,0]=3 1411 B10R1.1 CCOc1ccc(cc1)N 1P001OVT [1,1,0,0,0,0|1,0,0]=3 1412 B10R1.1 CCOc1ccc(cc1)N 1P003UEJ [1,1,0,0,0,0|1,0,0]=3 1413 B10R1.1 CCOc1ccc(cc1)N 1P01EKJG [1,1,0,0,0,0|1,0,0]=3 1414 B10R1.1 CCOc1ccc(cc1)O 1P003LS3 [1,1,0,0,0,0|1,0,0]=3 1415 B10R1.1 CCOc1ccc(cc1)S 1P005TIM [1,1,0,0,0,0|1,0,0]=3 1416 B10R1.1 CCOc1ccc(cn1)Br 1P003MXL [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.1 CCOc1ccc(cn1)Cl 1P00I4SY [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.1 CCOc1ccc(cn1)F 1P008GR1 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.1 CCOc1ccc(cn1)I 1P00GSBW [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.1 CCOc1ccc(cn1)N 1P00I9RP [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.1 CCOc1ccc(nc1)Br 1P0071TQ [1,1,0,0,0,0|2,0,0]=4 1422 B10R1.1 CCOc1ccc(nc1)Cl 1P00G4H7 [1,1,0,0,0,0|2,0,0]=4 1423 B10R1.1 CCOc1ccc(nc1)N 1P00H1EN [1,1,0,0,0,0|2,0,0]=4 1424 B10R1.1 CCSc1ccc(cc1)Br 1P0030UV [1,1,0,0,0,0|1,0,0]=3 1425 B10R1.1 CCSc1ccc(cc1)C 1P00ELQS [1,1,0,0,0,0|1,0,0]=3 1426 B10R1.1 CCSc1ccc(cc1)F 1P002YAA [1,1,0,0,0,0|1,0,0]=3 1427 B10R1.1 CCSc1ccc(cc1)N 1P00J28R [1,1,0,0,0,0|1,0,0]=3 1428 B10R1.1 CCSc1ccc(cn1)Br 1P00HS6N [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.1 CCSc1ccc(cn1)N 1P01A81V [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.1 CCSc1ccc(nc1)Cl 1P027XPO [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.1 CN=Cc1ccc(cc1)Cl 1P000W2A [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.1 CNCc1ccc(cc1)Br 1P003LHF [1,1,0,0,0,0|1,0,0]=3 1433 B10R1.1 CNCc1ccc(cc1)Br 1P003TNF [1,1,0,0,0,0|1,0,0]=3 1434 B10R1.1 CNCc1ccc(cc1)C 1P003TNJ [1,1,0,0,0,0|1,0,0]=3 1435 B10R1.1 CNCc1ccc(cc1)C 1P003TON [1,1,0,0,0,0|1,0,0]=3 1436 B10R1.1 CNCc1ccc(cc1)Cl 1P003DFR [1,1,0,0,0,0|1,0,0]=3 1437 B10R1.1 CNCc1ccc(cc1)Cl 1P003TNG [1,1,0,0,0,0|1,0,0]=3 1438 B10R1.1 CNCc1ccc(cc1)F 1P003LWB [1,1,0,0,0,0|1,0,0]=3 1439 B10R1.1 CNCc1ccc(cc1)F 1P00D9LV [1,1,0,0,0,0|1,0,0]=3 1440 B10R1.1 CNCc1ccc(cc1)I 1P028EDZ [1,1,0,0,0,0|1,0,0]=3 1441 B10R1.1 CNCc1ccc(cc1)N 1P003TNE [1,1,0,0,0,0|1,0,0]=3 1442 B10R1.1 CNCc1ccc(cc1)O 1P003L1D [1,1,0,0,0,0|1,0,0]=3 1443 B10R1.1 CNCc1ccc(cc1)O 1P0092KQ [1,1,0,0,0,0|1,0,0]=3 1444 B10R1.1 CNCc1ccc(cc1)O 1P01EAKR [1,1,0,0,0,0|1,0,0]=3 1445 B10R1.1 CNCc1ccc(cn1)Br 1P0287JA [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.1 CNCc1ccc(cn1)C 1P00HB7L [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.1 CNCc1ccc(cn1)Cl 1P028CVY [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.1 CNCc1ccc(nc1)Br 1P01JMDT [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.1 CNCc1ccc(nc1)C 1P0293DH [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.1 CNCc1ccc(nc1)Cl 1P008VNP [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.1 CNCc1ccc(nc1)Cl 1P00J2N9 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.1 CNCc1ccc(nc1)N 1P01A5WD [1,1,0,0,0,0|2,0,0]=4 1453 B10R1.1 CNCc1ccc(nc1)N 1P028L0H [1,1,0,0,0,0|2,0,0]=4 1454 B10R1.1 COCc1ccc(cc1)Br 1P001NU5 [1,1,0,0,0,0|1,0,0]=3 1455 B10R1.1 COCc1ccc(cc1)Cl 1P000POK [1,1,0,0,0,0|1,0,0]=3 1456 B10R1.1 COCc1ccc(cc1)I 1P00H370 [1,1,0,0,0,0|1,0,0]=3 1457 B10R1.1 COCc1ccc(cc1)N 1P003KPL [1,1,0,0,0,0|1,0,0]=3 1458 B10R1.1 COCc1ccc(cc1)O 1P00DG3W [1,1,0,0,0,0|1,0,0]=3 1459 B10R1.1 COCc1ccc(cc1)S 1P019TSN [1,1,0,0,0,0|1,0,0]=3 1460 B10R1.1 COCc1ccc(nc1)Br 1P00FG5J [1,1,0,0,0,0|2,0,0]=4 1461 B10R1.1 COCc1ccc(nc1)Cl 1P0005JV [1,1,0,0,0,0|2,0,0]=4 1462 B10R1.1 COCc1ccc(nc1)N 1P028S54 [1,1,0,0,0,0|2,0,0]=4 1463 B10R1.1 CSCc1ccc(cc1)Br 1P00AS51 [1,1,0,0,0,0|1,0,0]=3 1464 B10R1.1 CSCc1ccc(cc1)Cl 1P00EA6D [1,1,0,0,0,0|1,0,0]=3 1465 B10R1.1 CSCc1ccc(cc1)F 1P00EG4L [1,1,0,0,0,0|1,0,0]=3 1466 B10R1.1 CSCc1ccc(cc1)N 1P01AAGG [1,1,0,0,0,0|1,0,0]=3 1467 B10R1.1 CSCc1ccc(cc1)N 1P028CQ4 [1,1,0,0,0,0|1,0,0]=3 1468 B10R1.1 CSCc1ccc(nc1)Cl 1P008W3Q [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.1 C\C=C\c1ccc(cc1)Br 1P0039M8 [1,1,0,0,0,0|0,0,2]=4 1470 B10R1.1 C\C=C\c1ccc(cc1)O 1P0286KE [1,1,0,0,0,0|0,0,2]=4 1471 B10R1.1 Cc1ccc(cc1)C[N+]#[C-] 1P00BZ37 [1,1,0,0,0,0|1,0,1]=4 1472 B10R1.1 Cc1cnc(cn1)CCN 1P01C2R8 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.1 ClCCc1ccc(cc1)C 1P01AJRP [1,1,0,0,0,0|1,0,0]=3 1474 B10R1.1 ClCCc1ccc(cc1)Cl 1P00BZZW [1,1,0,0,0,0|1,0,0]=3 1475 B10R1.1 ClCCc1ccc(cc1)F 1P003BFT [1,1,0,0,0,0|1,0,0]=3 1476 B10R1.1 ClCCc1ccc(nc1)Cl 1P01DVHP [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.1 ClCOc1ccc(cc1)F 1P01BK8P [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.1 ClCSc1ccc(cc1)C 1P003PAW [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.1 Clc1ccc(cc1)C[N+]#[C-] 1P00BZ4O [1,1,0,0,0,0|1,0,1]=4 1480 B10R1.1 FCCc1ccc(cc1)Br 1P028SCH [1,1,0,0,0,0|1,0,0]=3 1481 B10R1.1 FCCc1ccc(cc1)N 1P021OGU [1,1,0,0,0,0|1,0,0]=3 1482 B10R1.1 FCCc1ccc(cc1)O 1P01DHVV [1,1,0,0,0,0|1,0,0]=3 1483 B10R1.1 FCOc1ccc(cc1)Br 1P02843R [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.1 FCOc1ccc(cc1)I 1P0287U6 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.1 FCOc1ccc(cc1)N 1P0288ZL [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.1 Fc1ccc(cc1)C[N+]#[C-] 1P001LQ3 [1,1,0,0,0,0|1,0,1]=4 1487 B10R1.1 ICCc1ccc(cc1)Br 1P008FXF [1,1,0,0,0,0|1,0,0]=3 1488 B10R1.1 ICCc1ccc(cc1)Cl 1P01JMRL [1,1,0,0,0,0|1,0,0]=3 1489 B10R1.1 N#CCc1ccc(cc1)Br 1P001WJT [1,1,0,0,0,0|0,0,2]=4 1490 B10R1.1 N#CCc1ccc(cc1)C 1P002YYR [1,1,0,0,0,0|0,0,2]=4 1491 B10R1.1 N#CCc1ccc(cc1)Cl 1P001CE6 [1,1,0,0,0,0|0,0,2]=4 1492 B10R1.1 N#CCc1ccc(cc1)F 1P003LWQ [1,1,0,0,0,0|0,0,2]=4 1493 B10R1.1 N#CCc1ccc(cc1)I 1P003M1K [1,1,0,0,0,0|0,0,2]=4 1494 B10R1.1 N#CCc1ccc(cc1)N 1P003L7Q [1,1,0,0,0,0|0,0,2]=4 1495 B10R1.1 N#CCc1ccc(cc1)O 1P001HTW [1,1,0,0,0,0|0,0,2]=4 1496 B10R1.1 N#CCc1ccc(cc1)S 1P027XUJ [1,1,0,0,0,0|0,0,2]=4 1497 B10R1.1 NCCc1ccc(=O)[nH]c1 1P01C526 [1,1,0,0,0,0|1,0,0]=3 1498 B10R1.1 NCCc1ccc(cc1)Br 1P0033BE [1,1,0,0,0,0|0,0,0]=2 1499 B10R1.1 NCCc1ccc(cc1)Br 1P00C08F [1,1,0,0,0,0|0,0,0]=2 1500 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [1,1,0,0,0,0|0,0,0]=2 1501 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [1,1,0,0,0,0|0,0,0]=2 1502 B10R1.1 NCCc1ccc(cc1)Cl 1P001OVU [1,1,0,0,0,0|0,0,0]=2 1503 B10R1.1 NCCc1ccc(cc1)Cl 1P002QCJ [1,1,0,0,0,0|0,0,0]=2 1504 B10R1.1 NCCc1ccc(cc1)F 1P001QL6 [1,1,0,0,0,0|0,0,0]=2 1505 B10R1.1 NCCc1ccc(cc1)F 1P003LWH [1,1,0,0,0,0|0,0,0]=2 1506 B10R1.1 NCCc1ccc(cc1)F 1P01DFUD [1,1,0,0,0,0|0,0,0]=2 1507 B10R1.1 NCCc1ccc(cc1)I 1P005JNU [1,1,0,0,0,0|0,0,0]=2 1508 B10R1.1 NCCc1ccc(cc1)I 1P01B5P8 [1,1,0,0,0,0|0,0,0]=2 1509 B10R1.1 NCCc1ccc(cc1)N 1P003FBD [1,1,0,0,0,0|0,0,0]=2 1510 B10R1.1 NCCc1ccc(cc1)N 1P0070N1 [1,1,0,0,0,0|0,0,0]=2 1511 B10R1.1 NCCc1ccc(cc1)O 1P003FD7 [1,1,0,0,0,0|0,0,0]=2 1512 B10R1.1 NCCc1ccc(cc1)O 1P00IB3O [1,1,0,0,0,0|0,0,0]=2 1513 B10R1.1 NCCc1ccc(cn1)Br 1P01XCAI [1,1,0,0,0,0|1,0,0]=3 1514 B10R1.1 NCCc1ccc(cn1)C 1P00G5VS [1,1,0,0,0,0|1,0,0]=3 1515 B10R1.1 NCCc1ccc(cn1)F 1P01B8QR [1,1,0,0,0,0|1,0,0]=3 1516 B10R1.1 NCCc1ccc(cn1)O 1P01C4CQ [1,1,0,0,0,0|1,0,0]=3 1517 B10R1.1 NCCc1ccc(nc1)C 1P006JIH [1,1,0,0,0,0|1,0,0]=3 1518 B10R1.1 NCCc1ccc(nc1)Cl 1P00DL91 [1,1,0,0,0,0|1,0,0]=3 1519 B10R1.1 NCCc1ccc(nc1)Cl 1P01P153 [1,1,0,0,0,0|1,0,0]=3 1520 B10R1.1 NCCc1ccc(nc1)F 1P027VHR [1,1,0,0,0,0|1,0,0]=3 1521 B10R1.1 NCCc1cnc(nc1)O 1P01BRYZ [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.1 NCCc1ncc(cn1)Br 1P028FZK [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.1 NCCc1ncc(cn1)C 1P00I08Q [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.1 NCCc1ncc(cn1)C 1P01A3HN [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.1 NCCc1ncc(cn1)C 1P027YWY [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.1 NCCc1ncc(cn1)F 1P01FJVA [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.1 NCCn1ccc(=O)cc1 1P028S6B [1,1,0,0,0,0|1,0,0]=3 1528 B10R1.1 NNCc1ccc(cc1)Br 1P00I01Q [1,1,0,0,0,0|1,0,0]=3 1529 B10R1.1 NNCc1ccc(cc1)Br 1P01KLR6 [1,1,0,0,0,0|1,0,0]=3 1530 B10R1.1 NNCc1ccc(cc1)C 1P002SK3 [1,1,0,0,0,0|1,0,0]=3 1531 B10R1.1 NNCc1ccc(cc1)C 1P00912Z [1,1,0,0,0,0|1,0,0]=3 1532 B10R1.1 NNCc1ccc(cc1)C 1P00DAGU [1,1,0,0,0,0|1,0,0]=3 1533 B10R1.1 NNCc1ccc(cc1)Cl 1P00914B [1,1,0,0,0,0|1,0,0]=3 1534 B10R1.1 NNCc1ccc(cc1)Cl 1P00G558 [1,1,0,0,0,0|1,0,0]=3 1535 B10R1.1 NNCc1ccc(cc1)Cl 1P00J1XO [1,1,0,0,0,0|1,0,0]=3 1536 B10R1.1 NNCc1ccc(cc1)F 1P0001BU [1,1,0,0,0,0|1,0,0]=3 1537 B10R1.1 NNCc1ccc(cc1)F 1P008ZIB [1,1,0,0,0,0|1,0,0]=3 1538 B10R1.1 NNCc1ccc(cc1)I 1P01XD1O [1,1,0,0,0,0|1,0,0]=3 1539 B10R1.1 NNCc1ccc(cc1)O 1P028XZA [1,1,0,0,0,0|1,0,0]=3 1540 B10R1.1 NNCc1ccc(nc1)Cl 1P000KW7 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.1 NNCc1ccc(nc1)Cl 1P008UTN [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.1 NOCc1ccc(cc1)Br 1P00CM64 [1,1,0,0,0,0|1,0,0]=3 1543 B10R1.1 NOCc1ccc(cc1)C 1P00C8PR [1,1,0,0,0,0|1,0,0]=3 1544 B10R1.1 NOCc1ccc(cc1)C 1P00G4ZH [1,1,0,0,0,0|1,0,0]=3 1545 B10R1.1 NOCc1ccc(cc1)Cl 1P00C71C [1,1,0,0,0,0|1,0,0]=3 1546 B10R1.1 NOCc1ccc(cc1)Cl 1P00DDLL [1,1,0,0,0,0|1,0,0]=3 1547 B10R1.1 NOCc1ccc(cc1)F 1P0026AQ [1,1,0,0,0,0|1,0,0]=3 1548 B10R1.1 NOCc1ccc(cc1)F 1P00DEWL [1,1,0,0,0,0|1,0,0]=3 1549 B10R1.1 O=CCc1ccc(cc1)Br 1P00BCHQ [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.1 O=CCc1ccc(cc1)C 1P0085DU [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.1 O=CCc1ccc(cc1)Cl 1P00BXZ5 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.1 O=CCc1ccc(cc1)F 1P001ZIV [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.1 OCCc1ccc(cc1)Br 1P003U0U [1,1,0,0,0,0|1,0,0]=3 1554 B10R1.1 OCCc1ccc(cc1)C 1P003BJ1 [1,1,0,0,0,0|1,0,0]=3 1555 B10R1.1 OCCc1ccc(cc1)Cl 1P003LOE [1,1,0,0,0,0|1,0,0]=3 1556 B10R1.1 OCCc1ccc(cc1)F 1P003FD0 [1,1,0,0,0,0|1,0,0]=3 1557 B10R1.1 OCCc1ccc(cc1)I 1P00DCHR [1,1,0,0,0,0|1,0,0]=3 1558 B10R1.1 OCCc1ccc(cc1)N 1P0038HA [1,1,0,0,0,0|1,0,0]=3 1559 B10R1.1 OCCc1ccc(cc1)O 1P0034J3 [1,1,0,0,0,0|1,0,0]=3 1560 B10R1.1 OCCc1ccc(cn1)Br 1P007Q4U [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.1 OCCc1ccc(cn1)C 1P01C53A [1,1,0,0,0,0|2,0,0]=4 1562 B10R1.1 OCCc1ccc(cn1)N 1P01BBSL [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.4 BrCCc1ccccc1Br 1P008S5Q [1,1,0,0,0,0|1,0,0]=3 1569 B10R1.4 BrCCc1ccccc1C 1P001Y5M [1,1,0,0,0,0|1,0,0]=3 1570 B10R1.4 BrCCc1ccccc1Cl 1P001Y5L [1,1,0,0,0,0|1,0,0]=3 1571 B10R1.4 BrCCc1ccccc1F 1P003DA4 [1,1,0,0,0,0|1,0,0]=3 1572 B10R1.4 BrCCc1ccccc1O 1P00ELH4 [1,1,0,0,0,0|1,0,0]=3 1573 B10R1.4 BrCCn1ccccc1=O 1P01A89Y [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.4 C#CCc1ccccc1F 1P01DVP6 [1,1,0,0,0,0|0,0,2]=4 1575 B10R1.4 C#CCc1ccccc1O 1P00CLW6 [1,1,0,0,0,0|0,0,2]=4 1576 B10R1.4 C=CCc1ccccc1Br 1P003EDU [1,1,0,0,0,0|0,0,2]=4 1577 B10R1.4 C=CCc1ccccc1C 1P001R8K [1,1,0,0,0,0|0,0,2]=4 1578 B10R1.4 C=CCc1ccccc1Cl 1P001R8I [1,1,0,0,0,0|0,0,2]=4 1579 B10R1.4 C=CCc1ccccc1O 1P002064 [1,1,0,0,0,0|0,0,2]=4 1580 B10R1.4 CCCc1ccccc1Br 1P01A28R [1,1,0,0,0,0|0,0,0]=2 1581 B10R1.4 CCCc1ccccc1I 1P007DSL [1,1,0,0,0,0|0,0,0]=2 1582 B10R1.4 CCCc1ccccc1N 1P0023UO [1,1,0,0,0,0|0,0,0]=2 1583 B10R1.4 CCCc1ccccc1N 1P028ATX [1,1,0,0,0,0|0,0,0]=2 1584 B10R1.4 CCCc1nccnc1Cl 1P01B7EN [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.4 CCCc1nccnc1N 1P01B74B [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.4 CCCn1ccccc1=O 1P00AQ0W [1,1,0,0,0,0|1,0,0]=3 1587 B10R1.4 CCNc1ccccc1Br 1P01JMHB [1,1,0,0,0,0|1,0,0]=3 1588 B10R1.4 CCNc1ccccc1C 1P00IIDL [1,1,0,0,0,0|1,0,0]=3 1589 B10R1.4 CCNc1ccccc1Cl 1P01B8QN [1,1,0,0,0,0|1,0,0]=3 1590 B10R1.4 CCNc1ccccc1F 1P00BEFS [1,1,0,0,0,0|1,0,0]=3 1591 B10R1.4 CCNc1ccccc1I 1P028SHN [1,1,0,0,0,0|1,0,0]=3 1592 B10R1.4 CCNc1ccccc1N 1P00BJJ4 [1,1,0,0,0,0|1,0,0]=3 1593 B10R1.4 CCNc1ccccc1O 1P0037GB [1,1,0,0,0,0|1,0,0]=3 1594 B10R1.4 CCNc1ccccc1O 1P0282E1 [1,1,0,0,0,0|1,0,0]=3 1595 B10R1.4 CCNc1cccnc1N 1P00BBQE [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.4 CCNc1ccncc1N 1P001EX7 [1,1,0,0,0,0|2,0,0]=4 1597 B10R1.4 CCNc1ncccc1C 1P01BI60 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.4 CCNc1ncccc1I 1P0283H5 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.4 CCNc1ncccc1N 1P007HGD [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.4 CCNc1ncccc1N 1P019X8Y [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.4 CCOc1ccc[nH]c1=O 1P00H06L [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.4 CCOc1ccccc1Br 1P003EJT [1,1,0,0,0,0|1,0,0]=3 1603 B10R1.4 CCOc1ccccc1C 1P00EDEP [1,1,0,0,0,0|1,0,0]=3 1604 B10R1.4 CCOc1ccccc1F 1P00DC78 [1,1,0,0,0,0|1,0,0]=3 1605 B10R1.4 CCOc1ccccc1I 1P00EOB3 [1,1,0,0,0,0|1,0,0]=3 1606 B10R1.4 CCOc1ccccc1N 1P003HMW [1,1,0,0,0,0|1,0,0]=3 1607 B10R1.4 CCOc1ccccc1N 1P003TY7 [1,1,0,0,0,0|1,0,0]=3 1608 B10R1.4 CCOc1cccnc1Br 1P00436J [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.4 CCOc1cccnc1F 1P00IDVS [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.4 CCOc1cccnc1N 1P00019E [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.4 CCOc1ccncc1N 1P001UH4 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.4 CCOc1cnccc1N 1P00GU33 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.4 CCOc1ncccc1Br 1P003JH0 [1,1,0,0,0,0|2,0,0]=4 1614 B10R1.4 CCOc1ncccc1Cl 1P0025YL [1,1,0,0,0,0|2,0,0]=4 1615 B10R1.4 CCOc1ncccc1I 1P003HMK [1,1,0,0,0,0|2,0,0]=4 1616 B10R1.4 CCOc1ncccc1N 1P00DLRU [1,1,0,0,0,0|2,0,0]=4 1617 B10R1.4 CCOc1ncccc1O 1P002HLC [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.4 CCSc1ccc[nH]c1=O 1P01E38X [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.4 CCSc1ccccc1Br 1P008E10 [1,1,0,0,0,0|1,0,0]=3 1620 B10R1.4 CCSc1ccccc1Cl 1P00I77K [1,1,0,0,0,0|1,0,0]=3 1621 B10R1.4 CCSc1ccccc1N 1P001AY7 [1,1,0,0,0,0|1,0,0]=3 1622 B10R1.4 CCSc1ccccc1N 1P00J3QB [1,1,0,0,0,0|1,0,0]=3 1623 B10R1.4 CCSc1ccccc1O 1P002Z6A [1,1,0,0,0,0|1,0,0]=3 1624 B10R1.4 CCSc1cccnc1Cl 1P028BNW [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.4 CCSc1cnccc1N 1P0290M3 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.4 CNCc1ccc[nH]c1=O 1P028W37 [1,1,0,0,0,0|2,0,0]=4 1627 B10R1.4 CNCc1ccccc1Br 1P003C2Q [1,1,0,0,0,0|1,0,0]=3 1628 B10R1.4 CNCc1ccccc1C 1P004MU6 [1,1,0,0,0,0|1,0,0]=3 1629 B10R1.4 CNCc1ccccc1C 1P00J2B1 [1,1,0,0,0,0|1,0,0]=3 1630 B10R1.4 CNCc1ccccc1Cl 1P005WFN [1,1,0,0,0,0|1,0,0]=3 1631 B10R1.4 CNCc1ccccc1F 1P003C3Y [1,1,0,0,0,0|1,0,0]=3 1632 B10R1.4 CNCc1ccccc1F 1P019WE2 [1,1,0,0,0,0|1,0,0]=3 1633 B10R1.4 CNCc1ccccc1I 1P028D3W [1,1,0,0,0,0|1,0,0]=3 1634 B10R1.4 CNCc1ccccc1N 1P00B4VD [1,1,0,0,0,0|1,0,0]=3 1635 B10R1.4 CNCc1ccccc1O 1P003HWH [1,1,0,0,0,0|1,0,0]=3 1636 B10R1.4 CNCc1ccccc1O 1P00IBRS [1,1,0,0,0,0|1,0,0]=3 1637 B10R1.4 CNCc1ccccc1O 1P019NN0 [1,1,0,0,0,0|1,0,0]=3 1638 B10R1.4 CNCc1cccnc1Br 1P028TJK [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.4 CNCc1cccnc1Cl 1P00J21X [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.4 CNCc1cccnc1Cl 1P0285O8 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.4 CNCc1ccncc1Br 1P01K1DW [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.4 CNCc1ccncc1C 1P00J1OX [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.4 CNCc1ccncc1C 1P00J3MB [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.4 CNCc1ccncc1F 1P028IHS [1,1,0,0,0,0|2,0,0]=4 1645 B10R1.4 CNCc1ncccc1C 1P004GWM [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.4 CNCc1ncccc1Cl 1P028SIC [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.4 COCc1ccccc1Br 1P00DAT5 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.4 COCc1ccccc1N 1P019UQK [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.4 COCc1ccccc1O 1P00EIVC [1,1,0,0,0,0|1,0,0]=3 1650 B10R1.4 COCc1cccnc1Br 1P01QOYF [1,1,0,0,0,0|2,0,0]=4 1651 B10R1.4 CSCc1ccccc1Br 1P01AM4A [1,1,0,0,0,0|1,0,0]=3 1652 B10R1.4 CSCc1ccccc1F 1P01DIBG [1,1,0,0,0,0|1,0,0]=3 1653 B10R1.4 CSCc1ccccc1N 1P01AC36 [1,1,0,0,0,0|1,0,0]=3 1654 B10R1.4 Cc1ccncc1CCN 1P01A10B [1,1,0,0,0,0|1,0,0]=3 1655 B10R1.4 Cc1ccncc1NCC 1P01BHHU [1,1,0,0,0,0|2,0,0]=4 1656 B10R1.4 Cc1ncccc1CCN 1P00E8BN [1,1,0,0,0,0|1,0,0]=3 1657 B10R1.4 Cc1ncccc1CNC 1P003I33 [1,1,0,0,0,0|2,0,0]=4 1658 B10R1.4 Cc1ncccc1NCC 1P01BHU6 [1,1,0,0,0,0|2,0,0]=4 1659 B10R1.4 Cc1nccnc1CCN 1P01AN51 [1,1,0,0,0,0|2,0,0]=4 1660 B10R1.4 ClCCc1ccccc1Br 1P01BE7C [1,1,0,0,0,0|1,0,0]=3 1661 B10R1.4 ClCCc1ccccc1C 1P0076GQ [1,1,0,0,0,0|1,0,0]=3 1662 B10R1.4 ClCCc1ccccc1Cl 1P0002MK [1,1,0,0,0,0|1,0,0]=3 1663 B10R1.4 ClCCc1ccccc1F 1P000Q40 [1,1,0,0,0,0|1,0,0]=3 1664 B10R1.4 ClCCc1ccncc1Br 1P028UZ5 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.4 ClCCn1ccccc1=O 1P021660 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.4 ClCOc1ccccc1F 1P01BK9I [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.4 ClCSc1ccccc1C 1P01IES8 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.4 Clc1ncccc1CCCl 1P01EMD0 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.4 Fc1ncccc1CCCl 1P028QVG [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.4 ICCc1ccccc1F 1P01BEPP [1,1,0,0,0,0|1,0,0]=3 1671 B10R1.4 N#CCc1ccccc1Br 1P0033NG [1,1,0,0,0,0|0,0,2]=4 1672 B10R1.4 N#CCc1ccccc1C 1P003BPV [1,1,0,0,0,0|0,0,2]=4 1673 B10R1.4 N#CCc1ccccc1Cl 1P002W6M [1,1,0,0,0,0|0,0,2]=4 1674 B10R1.4 N#CCc1ccccc1F 1P003HSC [1,1,0,0,0,0|0,0,2]=4 1675 B10R1.4 N#CCc1ccccc1I 1P003HXN [1,1,0,0,0,0|0,0,2]=4 1676 B10R1.4 N#CCc1ccccc1N 1P002ZPN [1,1,0,0,0,0|0,0,2]=4 1677 B10R1.4 N#CCc1ccccc1O 1P001F4B [1,1,0,0,0,0|0,0,2]=4 1678 B10R1.4 NCCc1ccccc1Br 1P0033NE [1,1,0,0,0,0|0,0,0]=2 1679 B10R1.4 NCCc1ccccc1Br 1P009XKK [1,1,0,0,0,0|0,0,0]=2 1680 B10R1.4 NCCc1ccccc1C 1P00IAEQ [1,1,0,0,0,0|0,0,0]=2 1681 B10R1.4 NCCc1ccccc1Cl 1P003F85 [1,1,0,0,0,0|0,0,0]=2 1682 B10R1.4 NCCc1ccccc1F 1P00DERZ [1,1,0,0,0,0|0,0,0]=2 1683 B10R1.4 NCCc1ccccc1I 1P005C61 [1,1,0,0,0,0|0,0,0]=2 1684 B10R1.4 NCCc1ccccc1N 1P000HRK [1,1,0,0,0,0|0,0,0]=2 1685 B10R1.4 NCCc1ccccc1N 1P00DED7 [1,1,0,0,0,0|0,0,0]=2 1686 B10R1.4 NCCc1ccccc1O 1P0029N4 [1,1,0,0,0,0|0,0,0]=2 1687 B10R1.4 NCCc1ccccc1O 1P019VVD [1,1,0,0,0,0|0,0,0]=2 1688 B10R1.4 NCCc1cccnc1Cl 1P028PPO [1,1,0,0,0,0|1,0,0]=3 1689 B10R1.4 NCCc1cccnc1F 1P028R5T [1,1,0,0,0,0|1,0,0]=3 1690 B10R1.4 NCCc1cccnc1O 1P027WOI [1,1,0,0,0,0|1,0,0]=3 1691 B10R1.4 NCCc1cccnc1O 1P028FLD [1,1,0,0,0,0|1,0,0]=3 1692 B10R1.4 NCCc1ccncc1Br 1P01ELK2 [1,1,0,0,0,0|1,0,0]=3 1693 B10R1.4 NCCc1ccncc1C 1P01A31B [1,1,0,0,0,0|1,0,0]=3 1694 B10R1.4 NCCc1ccncc1Cl 1P027XZC [1,1,0,0,0,0|1,0,0]=3 1695 B10R1.4 NCCc1ncccc1Br 1P006RZ7 [1,1,0,0,0,0|1,0,0]=3 1696 B10R1.4 NCCc1ncccc1C 1P004NE2 [1,1,0,0,0,0|1,0,0]=3 1697 B10R1.4 NCCc1ncccc1C 1P01C4WV [1,1,0,0,0,0|1,0,0]=3 1698 B10R1.4 NCCc1ncccc1F 1P00AO5H [1,1,0,0,0,0|1,0,0]=3 1699 B10R1.4 NCCn1ccccc1=O 1P00CAS4 [1,1,0,0,0,0|1,0,0]=3 1700 B10R1.4 NCCn1ccccc1=O 1P019ZY4 [1,1,0,0,0,0|1,0,0]=3 1701 B10R1.4 NCCn1cccnc1=O 1P01FJVP [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.4 NCCn1cnccc1=O 1P01C4PJ [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.4 NCCn1ncccc1=O 1P01AS7H [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.4 NN=Cc1ccccc1O 1P00BLJ2 [1,1,0,0,0,0|1,0,1]=4 1705 B10R1.4 NNCc1ccccc1Br 1P00HUAC [1,1,0,0,0,0|1,0,0]=3 1706 B10R1.4 NNCc1ccccc1C 1P00J1XT [1,1,0,0,0,0|1,0,0]=3 1707 B10R1.4 NNCc1ccccc1Cl 1P00EM60 [1,1,0,0,0,0|1,0,0]=3 1708 B10R1.4 NNCc1ccccc1Cl 1P019D1I [1,1,0,0,0,0|1,0,0]=3 1709 B10R1.4 NNCc1ccccc1F 1P0015VJ [1,1,0,0,0,0|1,0,0]=3 1710 B10R1.4 NNCc1ccccc1F 1P003951 [1,1,0,0,0,0|1,0,0]=3 1711 B10R1.4 NNCc1ccccc1F 1P009GXI [1,1,0,0,0,0|1,0,0]=3 1712 B10R1.4 NNCc1ccccc1O 1P028ZMU [1,1,0,0,0,0|1,0,0]=3 1713 B10R1.4 NOCc1ccccc1C 1P008PH3 [1,1,0,0,0,0|1,0,0]=3 1714 B10R1.4 NOCc1ccccc1Cl 1P00DJ0J [1,1,0,0,0,0|1,0,0]=3 1715 B10R1.4 NOCc1ccccc1F 1P00BHGU [1,1,0,0,0,0|1,0,0]=3 1716 B10R1.4 Nc1ncccc1CCN 1P01EKM6 [1,1,0,0,0,0|1,0,0]=3 1717 B10R1.4 O=CCc1ccccc1Br 1P00IKAJ [1,1,0,0,0,0|1,0,1]=4 1718 B10R1.4 O=CCc1ccccc1Cl 1P00BZYQ [1,1,0,0,0,0|1,0,1]=4 1719 B10R1.4 O=CCc1ccccc1F 1P008QZL [1,1,0,0,0,0|1,0,1]=4 1720 B10R1.4 OCCc1cccc[n+]1C 1P01B5VE [1,1,0,0,0,0|2,0,0]=4 1721 B10R1.4 OCCc1ccccc1Br 1P0033B7 [1,1,0,0,0,0|1,0,0]=3 1722 B10R1.4 OCCc1ccccc1C 1P002BSO [1,1,0,0,0,0|1,0,0]=3 1723 B10R1.4 OCCc1ccccc1Cl 1P002BSP [1,1,0,0,0,0|1,0,0]=3 1724 B10R1.4 OCCc1ccccc1F 1P003HSQ [1,1,0,0,0,0|1,0,0]=3 1725 B10R1.4 OCCc1ccccc1I 1P002S0H [1,1,0,0,0,0|1,0,0]=3 1726 B10R1.4 OCCc1ccccc1N 1P0033L2 [1,1,0,0,0,0|1,0,0]=3 1727 B10R1.4 OCCc1ccccc1N 1P028P0Y [1,1,0,0,0,0|1,0,0]=3 1728 B10R1.4 OCCc1cccnc1Cl 1P01DVQ8 [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.4 OCCc1cccnc1F 1P00B8Q6 [1,1,0,0,0,0|2,0,0]=4 1730 B10R1.4 OCCc1ccncc1Br 1P01DZQ5 [1,1,0,0,0,0|2,0,0]=4 1731 B10R1.4 OCCc1ccncc1C 1P01C3LX [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.4 OCCc1ncccc1Br 1P000LZX [1,1,0,0,0,0|2,0,0]=4 1733 B10R1.4 OCCc1ncccc1C 1P00DDGW [1,1,0,0,0,0|2,0,0]=4 1734 B10R1.4 OCCc1ncccc1F 1P000177 [1,1,0,0,0,0|2,0,0]=4 1735 B10R1.4 OCCn1ccccc1=O 1P019YLA [1,1,0,0,0,0|2,0,0]=4 1736 B10R1.4 ONCc1ccccc1Cl 1P01BIC9 [1,1,0,0,0,0|2,0,0]=4 1737 B10R1.4 SCCc1ccccc1Cl 1P01EJ97 [1,1,0,0,0,0|1,0,0]=3 1738 B10R1.4 SCCc1ccccc1I 1P0025ZP [1,1,0,0,0,0|1,0,0]=3 1739 B10R1.4 [C-]#[N+]Cc1ccccc1Br 1P028XJM [1,1,0,0,0,0|1,0,1]=4 1740 B10R1.4 [NH3+]OCc1ccccc1Br 1P006VPJ [1,1,0,0,0,0|1,0,1]=4 1741 B10R1.10 BrCCc1cccc(c1)Br 1P003JLH [1,1,0,0,0,0|1,0,0]=3 1742 B10R1.10 BrCCc1cccc(c1)C 1P001Y74 [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.10 BrCCc1cccc(c1)Cl 1P003JRP [1,1,0,0,0,0|1,0,0]=3 1744 B10R1.10 BrCCc1cccc(c1)F 1P002QNY [1,1,0,0,0,0|1,0,0]=3 1745 B10R1.10 C#CCc1cccc(c1)Cl 1P023JBT [1,1,0,0,0,0|0,0,2]=4 1746 B10R1.10 C=CCc1cccc(c1)Br 1P0024GG [1,1,0,0,0,0|0,0,2]=4 1747 B10R1.10 C=CCc1cccc(c1)C 1P003EDX [1,1,0,0,0,0|0,0,2]=4 1748 B10R1.10 C=CCc1cccc(c1)F 1P0032AM [1,1,0,0,0,0|0,0,2]=4 1749 B10R1.10 C=CCc1cccc(c1)O 1P001KAF [1,1,0,0,0,0|0,0,2]=4 1750 B10R1.10 CC#Cc1cccc(c1)Br 1P00658R [1,1,0,0,0,0|0,0,2]=4 1751 B10R1.10 CCCc1cc(Br)ccn1 1P00IKJL [1,1,0,0,0,0|1,0,0]=3 1752 B10R1.10 CCCc1cc(Cl)ncn1 1P019XCM [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [1,1,0,0,0,0|0,0,0]=2 1754 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [1,1,0,0,0,0|0,0,0]=2 1755 B10R1.10 CCCc1cccc(c1)F 1P002W84 [1,1,0,0,0,0|0,0,0]=2 1756 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [1,1,0,0,0,0|0,0,0]=2 1757 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [1,1,0,0,0,0|0,0,0]=2 1758 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [1,1,0,0,0,0|0,0,0]=2 1759 B10R1.10 CCCc1cccc(n1)N 1P00C7SD [1,1,0,0,0,0|1,0,0]=3 1760 B10R1.10 CCCc1cn[nH]c(=O)c1 1P0284RS [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [1,1,0,0,0,0|1,0,0]=3 1762 B10R1.10 CCCc1cnnc(c1)Cl 1P0285RA [1,1,0,0,0,0|2,0,0]=4 1763 B10R1.10 CCCc1cnnc(c1)N 1P028V6I [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.10 CCCc1nccc(n1)N 1P0003MS [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.10 CCNc1cc(Cl)ccn1 1P00HDEM [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.10 CCNc1cc(N)ccn1 1P003X1E [1,1,0,0,0,0|2,0,0]=4 1767 B10R1.10 CCNc1cc[nH]c(=O)c1 1P02235S [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.10 CCNc1cccc(c1)Br 1P00CRQM [1,1,0,0,0,0|1,0,0]=3 1769 B10R1.10 CCNc1cccc(c1)Br 1P019NBM [1,1,0,0,0,0|1,0,0]=3 1770 B10R1.10 CCNc1cccc(c1)C 1P0006PN [1,1,0,0,0,0|1,0,0]=3 1771 B10R1.10 CCNc1cccc(c1)Cl 1P00ABHB [1,1,0,0,0,0|1,0,0]=3 1772 B10R1.10 CCNc1cccc(c1)F 1P00I5LO [1,1,0,0,0,0|1,0,0]=3 1773 B10R1.10 CCNc1cccc(c1)F 1P019WHA [1,1,0,0,0,0|1,0,0]=3 1774 B10R1.10 CCNc1cccc(c1)N 1P006XSQ [1,1,0,0,0,0|1,0,0]=3 1775 B10R1.10 CCNc1cccc(c1)O 1P000XKE [1,1,0,0,0,0|1,0,0]=3 1776 B10R1.10 CCNc1cccc(c1)O 1P00EUNZ [1,1,0,0,0,0|1,0,0]=3 1777 B10R1.10 CCNc1ccnc(c1)Cl 1P00H5W0 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.10 CCOc1cc(Br)ccn1 1P00EGBH [1,1,0,0,0,0|2,0,0]=4 1779 B10R1.10 CCOc1cc(N)ccn1 1P003L57 [1,1,0,0,0,0|2,0,0]=4 1780 B10R1.10 CCOc1cccc(=N)[nH]1 1P0058P0 [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.10 CCOc1cccc(c1)Br 1P002U57 [1,1,0,0,0,0|1,0,0]=3 1782 B10R1.10 CCOc1cccc(c1)F 1P00I906 [1,1,0,0,0,0|1,0,0]=3 1783 B10R1.10 CCOc1cccc(c1)I 1P00BG0X [1,1,0,0,0,0|1,0,0]=3 1784 B10R1.10 CCOc1cccc(c1)N 1P0037EN [1,1,0,0,0,0|1,0,0]=3 1785 B10R1.10 CCOc1cccc(c1)O 1P003JUL [1,1,0,0,0,0|1,0,0]=3 1786 B10R1.10 CCOc1cccc(c1)S 1P003JUE [1,1,0,0,0,0|1,0,0]=3 1787 B10R1.10 CCOc1cccc(n1)Br 1P003H7B [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.10 CCOc1cccc(n1)C 1P00ANFJ [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.10 CCOc1cccc(n1)Cl 1P003HGT [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.10 CCOc1cccc(n1)F 1P004NYZ [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.10 CCOc1cccc(n1)N 1P01B7WC [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.10 CCOc1ccnc(c1)Br 1P00AD6A [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.10 CCOc1ccnc(c1)Cl 1P003HDO [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.10 CCOc1ccnc(c1)F 1P0021S3 [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.10 CCOc1ccnc(c1)N 1P003GVT [1,1,0,0,0,0|2,0,0]=4 1796 B10R1.10 CCOc1cncc(c1)Br 1P0078AD [1,1,0,0,0,0|2,0,0]=4 1797 B10R1.10 CCOc1cncc(c1)N 1P00DGRJ [1,1,0,0,0,0|2,0,0]=4 1798 B10R1.10 CCSc1cccc(=O)[nH]1 1P01DWC2 [1,1,0,0,0,0|2,0,0]=4 1799 B10R1.10 CCSc1cccc(c1)Br 1P0023MI [1,1,0,0,0,0|1,0,0]=3 1800 B10R1.10 CCSc1cccc(c1)C 1P00CURM [1,1,0,0,0,0|1,0,0]=3 1801 B10R1.10 CCSc1cccc(c1)N 1P0026DH [1,1,0,0,0,0|1,0,0]=3 1802 B10R1.10 CCSc1ccnc(c1)Cl 1P019TAJ [1,1,0,0,0,0|2,0,0]=4 1803 B10R1.10 CNCc1cc(Cl)ccn1 1P00H4HS [1,1,0,0,0,0|2,0,0]=4 1804 B10R1.10 CNCc1cc(Cl)ccn1 1P01FJ5P [1,1,0,0,0,0|2,0,0]=4 1805 B10R1.10 CNCc1cc(N)ccn1 1P01ON9H [1,1,0,0,0,0|2,0,0]=4 1806 B10R1.10 CNCc1cc(O)ccn1 1P0289ZZ [1,1,0,0,0,0|2,0,0]=4 1807 B10R1.10 CNCc1cccc(=O)[nH]1 1P01EJJL [1,1,0,0,0,0|2,0,0]=4 1808 B10R1.10 CNCc1cccc(c1)Br 1P003C82 [1,1,0,0,0,0|1,0,0]=3 1809 B10R1.10 CNCc1cccc(c1)Br 1P003TNA [1,1,0,0,0,0|1,0,0]=3 1810 B10R1.10 CNCc1cccc(c1)C 1P003K89 [1,1,0,0,0,0|1,0,0]=3 1811 B10R1.10 CNCc1cccc(c1)C 1P028EM9 [1,1,0,0,0,0|1,0,0]=3 1812 B10R1.10 CNCc1cccc(c1)Cl 1P003JRN [1,1,0,0,0,0|1,0,0]=3 1813 B10R1.10 CNCc1cccc(c1)Cl 1P006R42 [1,1,0,0,0,0|1,0,0]=3 1814 B10R1.10 CNCc1cccc(c1)F 1P003C90 [1,1,0,0,0,0|1,0,0]=3 1815 B10R1.10 CNCc1cccc(c1)I 1P01RCKU [1,1,0,0,0,0|1,0,0]=3 1816 B10R1.10 CNCc1cccc(c1)N 1P003JE0 [1,1,0,0,0,0|1,0,0]=3 1817 B10R1.10 CNCc1cccc(c1)O 1P000LPH [1,1,0,0,0,0|1,0,0]=3 1818 B10R1.10 CNCc1cccc(n1)Br 1P00FM76 [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.10 CNCc1cccc(n1)Br 1P028O9D [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.10 CNCc1cccc(n1)C 1P005V6F [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.10 CNCc1cccc(n1)C 1P01AKXB [1,1,0,0,0,0|2,0,0]=4 1822 B10R1.10 CNCc1cccc(n1)Cl 1P028Q45 [1,1,0,0,0,0|2,0,0]=4 1823 B10R1.10 CNCc1ccnc(c1)C 1P00ADF3 [1,1,0,0,0,0|2,0,0]=4 1824 B10R1.10 CNCc1ccnc(c1)Cl 1P005HCY [1,1,0,0,0,0|2,0,0]=4 1825 B10R1.10 CNCc1cncc(c1)Br 1P00FDLE [1,1,0,0,0,0|2,0,0]=4 1826 B10R1.10 CNCc1cncc(c1)Br 1P0282KH [1,1,0,0,0,0|2,0,0]=4 1827 B10R1.10 CNCc1cncc(c1)F 1P01JLRI [1,1,0,0,0,0|2,0,0]=4 1828 B10R1.10 CNCc1nccc(c1)C 1P028TVU [1,1,0,0,0,0|2,0,0]=4 1829 B10R1.10 COCc1cccc(c1)Br 1P001NU4 [1,1,0,0,0,0|1,0,0]=3 1830 B10R1.10 COCc1cccc(c1)C 1P01H9A5 [1,1,0,0,0,0|1,0,0]=3 1831 B10R1.10 COCc1cccc(c1)N 1P003IPB [1,1,0,0,0,0|1,0,0]=3 1832 B10R1.10 COCc1cccc(c1)O 1P00IANX [1,1,0,0,0,0|1,0,0]=3 1833 B10R1.10 COCc1cccc(n1)Br 1P00921P [1,1,0,0,0,0|2,0,0]=4 1834 B10R1.10 COCc1cccc(n1)C 1P01IP80 [1,1,0,0,0,0|2,0,0]=4 1835 B10R1.10 COCc1ccnc(c1)Br 1P000Z3V [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.10 COCc1ccnc(c1)Cl 1P000NEB [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.10 COCc1ccnc(c1)N 1P01C722 [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.10 COCc1cncc(c1)Br 1P001ZTN [1,1,0,0,0,0|2,0,0]=4 1839 B10R1.10 CSCc1cccc(c1)Br 1P00ID71 [1,1,0,0,0,0|1,0,0]=3 1840 B10R1.10 CSCc1cccc(c1)F 1P01DIBF [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.10 CSCc1cccc(c1)N 1P01AHLX [1,1,0,0,0,0|1,0,0]=3 1842 B10R1.10 CSCc1ccnc(c1)Cl 1P01A4FZ [1,1,0,0,0,0|2,0,0]=4 1843 B10R1.10 CSCc1ccnc(c1)N 1P00ASZV [1,1,0,0,0,0|2,0,0]=4 1844 B10R1.10 Cc1cccc(n1)CCBr 1P00J2ET [1,1,0,0,0,0|2,0,0]=4 1845 B10R1.10 Cc1cccc(n1)CCN 1P003FF8 [1,1,0,0,0,0|1,0,0]=3 1846 B10R1.10 Cc1cccc(n1)CCO 1P00GRQ8 [1,1,0,0,0,0|2,0,0]=4 1847 B10R1.10 ClCCc1cccc(c1)C 1P00CS1D [1,1,0,0,0,0|1,0,0]=3 1848 B10R1.10 ClCCc1cccc(c1)Cl 1P00DRJV [1,1,0,0,0,0|1,0,0]=3 1849 B10R1.10 ClCCc1cccc(c1)F 1P00CRES [1,1,0,0,0,0|1,0,0]=3 1850 B10R1.10 ClCCc1cncc(c1)F 1P01EM8Z [1,1,0,0,0,0|2,0,0]=4 1851 B10R1.10 Clc1cc(CCBr)ncc1 1P0291JG [1,1,0,0,0,0|2,0,0]=4 1852 B10R1.10 FCCc1cccc(c1)N 1P028L7R [1,1,0,0,0,0|1,0,0]=3 1853 B10R1.10 FCOc1cccc(c1)Br 1P0201BO [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.10 FCOc1cccc(c1)I 1P0293OZ [1,1,0,0,0,0|2,0,0]=4 1855 B10R1.10 FCOc1cccc(c1)N 1P027WRY [1,1,0,0,0,0|2,0,0]=4 1856 B10R1.10 N#CCc1cccc(c1)Br 1P003JLJ [1,1,0,0,0,0|0,0,2]=4 1857 B10R1.10 N#CCc1cccc(c1)C 1P002YYS [1,1,0,0,0,0|0,0,2]=4 1858 B10R1.10 N#CCc1cccc(c1)Cl 1P003JRW [1,1,0,0,0,0|0,0,2]=4 1859 B10R1.10 N#CCc1cccc(c1)F 1P003JYA [1,1,0,0,0,0|0,0,2]=4 1860 B10R1.10 N#CCc1cccc(c1)I 1P000VBA [1,1,0,0,0,0|0,0,2]=4 1861 B10R1.10 N#CCc1cccc(c1)N 1P00DA3L [1,1,0,0,0,0|0,0,2]=4 1862 B10R1.10 N#CCc1cccc(c1)O 1P0038M2 [1,1,0,0,0,0|0,0,2]=4 1863 B10R1.10 NCCc1cc(Br)ncn1 1P028S37 [1,1,0,0,0,0|2,0,0]=4 1864 B10R1.10 NCCc1cc(O)ncn1 1P0280WI [1,1,0,0,0,0|2,0,0]=4 1865 B10R1.10 NCCc1cccc(=O)[nH]1 1P00J3AI [1,1,0,0,0,0|1,0,0]=3 1866 B10R1.10 NCCc1cccc(c1)Br 1P0037LP [1,1,0,0,0,0|0,0,0]=2 1867 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [1,1,0,0,0,0|0,0,0]=2 1868 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [1,1,0,0,0,0|0,0,0]=2 1869 B10R1.10 NCCc1cccc(c1)Cl 1P003JRS [1,1,0,0,0,0|0,0,0]=2 1870 B10R1.10 NCCc1cccc(c1)F 1P003JY5 [1,1,0,0,0,0|0,0,0]=2 1871 B10R1.10 NCCc1cccc(c1)I 1P01FXNY [1,1,0,0,0,0|0,0,0]=2 1872 B10R1.10 NCCc1cccc(c1)I 1P027YWC [1,1,0,0,0,0|0,0,0]=2 1873 B10R1.10 NCCc1cccc(c1)N 1P004DKM [1,1,0,0,0,0|0,0,0]=2 1874 B10R1.10 NCCc1cccc(c1)N 1P00G36E [1,1,0,0,0,0|0,0,0]=2 1875 B10R1.10 NCCc1cccc(c1)O 1P003K1G [1,1,0,0,0,0|0,0,0]=2 1876 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [1,1,0,0,0,0|0,0,0]=2 1877 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [1,1,0,0,0,0|0,0,0]=2 1878 B10R1.10 NCCc1cccc(n1)F 1P01A0E1 [1,1,0,0,0,0|1,0,0]=3 1879 B10R1.10 NCCc1ccnc(c1)C 1P00F9NH [1,1,0,0,0,0|1,0,0]=3 1880 B10R1.10 NCCc1ccnc(c1)C 1P01EIKC [1,1,0,0,0,0|1,0,0]=3 1881 B10R1.10 NCCc1ccnc(c1)Cl 1P028Z1X [1,1,0,0,0,0|1,0,0]=3 1882 B10R1.10 NCCc1ccnc(c1)F 1P023ZSI [1,1,0,0,0,0|1,0,0]=3 1883 B10R1.10 NCCc1ccnc(c1)N 1P01B38D [1,1,0,0,0,0|1,0,0]=3 1884 B10R1.10 NCCc1ccnc(c1)O 1P01BY6E [1,1,0,0,0,0|1,0,0]=3 1885 B10R1.10 NCCc1ccnc(n1)C 1P028RYD [1,1,0,0,0,0|2,0,0]=4 1886 B10R1.10 NCCc1ccnc(n1)N 1P027WCC [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.10 NCCc1ccnc(n1)O 1P0289IN [1,1,0,0,0,0|2,0,0]=4 1888 B10R1.10 NCCc1cncc(c1)F 1P0095P2 [1,1,0,0,0,0|1,0,0]=3 1889 B10R1.10 NCCc1cncc(c1)O 1P01B87N [1,1,0,0,0,0|1,0,0]=3 1890 B10R1.10 NCCc1nccc(=O)[nH]1 1P027KCX [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.10 NCCc1nccc(n1)C 1P01DXCF [1,1,0,0,0,0|2,0,0]=4 1892 B10R1.10 NCCc1ncnc(c1)O 1P0289J1 [1,1,0,0,0,0|2,0,0]=4 1893 B10R1.10 NNCc1cccc(c1)Br 1P019ZHS [1,1,0,0,0,0|1,0,0]=3 1894 B10R1.10 NNCc1cccc(c1)Br 1P01DDSX [1,1,0,0,0,0|1,0,0]=3 1895 B10R1.10 NNCc1cccc(c1)C 1P00J1XM [1,1,0,0,0,0|1,0,0]=3 1896 B10R1.10 NNCc1cccc(c1)C 1P028PB6 [1,1,0,0,0,0|1,0,0]=3 1897 B10R1.10 NNCc1cccc(c1)Cl 1P000RQ2 [1,1,0,0,0,0|1,0,0]=3 1898 B10R1.10 NNCc1cccc(c1)Cl 1P002RTJ [1,1,0,0,0,0|1,0,0]=3 1899 B10R1.10 NNCc1cccc(c1)F 1P0001BT [1,1,0,0,0,0|1,0,0]=3 1900 B10R1.10 NNCc1cccc(c1)F 1P01A12G [1,1,0,0,0,0|1,0,0]=3 1901 B10R1.10 NNCc1cccc(c1)O 1P003K10 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.10 NNCc1cccc(n1)C 1P01B78Y [1,1,0,0,0,0|2,0,0]=4 1903 B10R1.10 NNCc1cncc(c1)F 1P028MND [1,1,0,0,0,0|2,0,0]=4 1904 B10R1.10 NOCc1cccc(c1)Cl 1P002ZCM [1,1,0,0,0,0|1,0,0]=3 1905 B10R1.10 NOCc1cccc(c1)Cl 1P01T5T0 [1,1,0,0,0,0|1,0,0]=3 1906 B10R1.10 NOCc1cccc(c1)F 1P00DCMO [1,1,0,0,0,0|1,0,0]=3 1907 B10R1.10 NOCc1cccc(n1)C 1P01AG90 [1,1,0,0,0,0|2,0,0]=4 1908 B10R1.10 NOCc1cccc(n1)Cl 1P00BB7Z [1,1,0,0,0,0|2,0,0]=4 1909 B10R1.10 Nc1cc(CCO)ncc1 1P009SDJ [1,1,0,0,0,0|2,0,0]=4 1910 B10R1.10 Nc1cccc(n1)CCO 1P009SDH [1,1,0,0,0,0|2,0,0]=4 1911 B10R1.10 O=CCc1cccc(c1)Br 1P008SJJ [1,1,0,0,0,0|1,0,1]=4 1912 B10R1.10 O=CCc1cccc(c1)C 1P005ZAB [1,1,0,0,0,0|1,0,1]=4 1913 B10R1.10 O=CCc1cccc(c1)Cl 1P00BZE9 [1,1,0,0,0,0|1,0,1]=4 1914 B10R1.10 O=CCc1cccc(c1)F 1P00G36B [1,1,0,0,0,0|1,0,1]=4 1915 B10R1.10 OCCc1cc(Br)ccn1 1P005W1Y [1,1,0,0,0,0|2,0,0]=4 1916 B10R1.10 OCCc1cccc(c1)Br 1P00343L [1,1,0,0,0,0|1,0,0]=3 1917 B10R1.10 OCCc1cccc(c1)C 1P0075A6 [1,1,0,0,0,0|1,0,0]=3 1918 B10R1.10 OCCc1cccc(c1)Cl 1P003JRR [1,1,0,0,0,0|1,0,0]=3 1919 B10R1.10 OCCc1cccc(c1)F 1P003JY4 [1,1,0,0,0,0|1,0,0]=3 1920 B10R1.10 OCCc1cccc(c1)N 1P00D8JE [1,1,0,0,0,0|1,0,0]=3 1921 B10R1.10 OCCc1cccc(c1)O 1P0071LP [1,1,0,0,0,0|1,0,0]=3 1922 B10R1.10 OCCc1cccc(n1)Br 1P00376A [1,1,0,0,0,0|2,0,0]=4 1923 B10R1.10 OCCc1ccnc(c1)Br 1P020KUY [1,1,0,0,0,0|2,0,0]=4 1924 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [1,1,0,0,0,0|2,0,0]=4 1925 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [1,1,0,0,0,0|2,0,0]=4 1926 B10R1.10 SCCc1cccc(c1)C 1P01FFL5 [1,1,0,0,0,0|1,0,0]=3 1927 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl 1P007W6T [1,1,0,0,0,0|1,0,1]=4 1928 B10R1.15 *CC(c1ccccc1)* 1P0035YN [1,1,0,0,0,0|1,0,0]=3 1929 B10R1.15 BrC(c1ccccc1)C#N 1P00EJ05 [1,1,0,0,0,0|0,0,2]=4 1930 B10R1.15 BrCC(=C)c1ccccc1 1P00BYL9 [1,1,0,0,0,0|1,0,1]=4 1931 B10R1.15 BrCC(=O)c1ccccc1 1P0033MP [1,1,0,0,0,0|1,0,1]=4 1932 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [1,1,0,0,0,0|1,0,0]=3 1933 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [1,1,0,0,0,0|1,0,0]=3 1934 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [1,1,0,0,0,0|1,0,0]=3 1935 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [1,1,0,0,0,0|1,0,0]=3 1936 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [1,1,0,0,0,0|1,0,0]=3 1937 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [1,1,0,0,0,0|1,0,0]=3 1938 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [1,1,0,0,0,0|0,0,2]=4 1939 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [1,1,0,0,0,0|0,0,2]=4 1940 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [1,1,0,0,0,0|0,0,2]=4 1941 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [1,1,0,0,0,0|0,0,2]=4 1942 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [1,1,0,0,0,0|0,0,2]=4 1943 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [1,1,0,0,0,0|0,0,2]=4 1944 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [1,1,0,0,0,0|0,0,2]=4 1945 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [1,1,0,0,0,0|0,0,2]=4 1946 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [1,1,0,0,0,0|0,0,2]=4 1947 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [1,1,0,0,0,0|1,0,1]=4 1948 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [1,1,0,0,0,0|2,0,0]=4 1949 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [1,1,0,0,0,0|0,0,2]=4 1950 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [1,1,0,0,0,0|0,0,1]=3 1951 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [1,1,0,0,0,0|0,0,1]=3 1952 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [1,1,0,0,0,0|1,0,1]=4 1953 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [1,1,0,0,0,0|1,0,1]=4 1954 B10R1.15 CCC(=O)c1ccncc1 1P003DKY [1,1,0,0,0,0|1,0,1]=4 1955 B10R1.15 CCC(=O)c1ccncc1 1P028X9W [1,1,0,0,0,0|1,0,1]=4 1956 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [1,1,0,0,0,0|0,0,0]=2 1957 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [1,1,0,0,0,0|0,0,0]=2 1958 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [1,1,0,0,0,0|0,0,0]=2 1959 B10R1.15 CCC(c1ccccc1)N 1P003F3H [1,1,0,0,0,0|0,0,0]=2 1960 B10R1.15 CCC(c1ccccc1)S 1P01A000 [1,1,0,0,0,0|0,0,0]=2 1961 B10R1.15 CCC(c1ccccn1)N 1P0001KW [1,1,0,0,0,0|1,0,0]=3 1962 B10R1.15 CCC(c1ccccn1)N 1P00J25M [1,1,0,0,0,0|1,0,0]=3 1963 B10R1.15 CCC(c1cccnc1)N 1P000K5S [1,1,0,0,0,0|1,0,0]=3 1964 B10R1.15 CCC(c1cccnc1)N 1P003DEE [1,1,0,0,0,0|1,0,0]=3 1965 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [1,1,0,0,0,0|1,0,0]=3 1966 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [1,1,0,0,0,0|1,0,0]=3 1967 B10R1.15 CCC(c1ncccn1)N 1P01CAMO [1,1,0,0,0,0|2,0,0]=4 1968 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [1,1,0,0,0,0|0,0,0]=2 1969 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [1,1,0,0,0,0|0,0,0]=2 1970 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [1,1,0,0,0,0|1,0,0]=3 1971 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [1,1,0,0,0,0|1,0,0]=3 1972 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [1,1,0,0,0,0|0,0,0]=2 1973 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [1,1,0,0,0,0|0,0,0]=2 1974 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [1,1,0,0,0,0|1,0,0]=3 1976 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [1,1,0,0,0,0|1,0,0]=3 1977 B10R1.15 CNC(=N)c1ccccc1 1P01BBOA [1,1,0,0,0,0|1,0,1]=4 1978 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [1,1,0,0,0,0|1,0,1]=4 1979 B10R1.15 CNC(=S)c1ccccc1 1P00E16P [1,1,0,0,0,0|1,0,1]=4 1980 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [1,1,0,0,0,0|1,0,0]=3 1981 B10R1.15 CNC(c1ccccc1)C 1P00C63A [1,1,0,0,0,0|1,0,0]=3 1982 B10R1.15 CNC(c1ccccn1)C 1P008W2I [1,1,0,0,0,0|2,0,0]=4 1983 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [1,1,0,0,0,0|2,0,0]=4 1985 B10R1.15 CNC(c1cccnc1)C 1P008VWL [1,1,0,0,0,0|2,0,0]=4 1986 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.15 CNC(c1ccncc1)C 1P001RII [1,1,0,0,0,0|2,0,0]=4 1989 B10R1.15 CNC(c1ccncc1)C 1P00J3HT [1,1,0,0,0,0|2,0,0]=4 1990 B10R1.15 CNC(c1ccncc1)C 1P00J3UG [1,1,0,0,0,0|2,0,0]=4 1991 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [1,1,0,0,0,0|1,0,0]=3 1992 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [1,1,0,0,0,0|1,0,0]=3 1993 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [1,1,0,0,0,0|2,0,0]=4 1994 B10R1.15 CN[C@@H](c1ccncc1)C 1P0281L9 [1,1,0,0,0,0|2,0,0]=4 1995 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [1,1,0,0,0,0|1,0,0]=3 1996 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [1,1,0,0,0,0|1,0,0]=3 1997 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [1,1,0,0,0,0|2,0,0]=4 1998 B10R1.15 CN[C@H](c1ccncc1)C 1P01FKUZ [1,1,0,0,0,0|2,0,0]=4 1999 B10R1.15 CN[C@H](c1ccncc1)C 1P024UA1 [1,1,0,0,0,0|2,0,0]=4 2000 B10R1.15 COC(=N)c1ccccc1 1P003SG1 [1,1,0,0,0,0|1,0,1]=4 2001 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [1,1,0,0,0,0|1,0,1]=4 2002 B10R1.15 COS(=O)c1ccccc1 1P0035P8 [1,1,0,0,0,0|2,0,0]=4 2003 B10R1.15 CSC(=S)c1ccccc1 1P007PX1 [1,1,0,0,0,0|1,0,1]=4 2004 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [1,1,0,0,0,0|1,0,0]=3 2005 B10R1.15 ClCS(=O)c1ccccc1 1P003BRN [1,1,0,0,0,0|2,0,0]=4 2006 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [1,1,0,0,0,0|1,0,0]=3 2007 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [1,1,0,0,0,0|1,0,0]=3 2008 B10R1.15 FC(c1ccccc1)C#N 1P01ACVI [1,1,0,0,0,0|0,0,2]=4 2009 B10R1.15 FCC(=O)c1ccccc1 1P00I8Y0 [1,1,0,0,0,0|1,0,1]=4 2010 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [1,1,0,0,0,0|1,0,0]=3 2011 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [1,1,0,0,0,0|1,0,0]=3 2012 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [1,1,0,0,0,0|1,0,0]=3 2013 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [1,1,0,0,0,0|1,0,0]=3 2014 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [1,1,0,0,0,0|1,0,0]=3 2015 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [1,1,0,0,0,0|1,0,0]=3 2016 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [1,1,0,0,0,0|1,0,0]=3 2017 B10R1.15 NC(c1ccccc1)C#C 1P01BGT7 [1,1,0,0,0,0|0,0,2]=4 2018 B10R1.15 NC(c1ccccc1)C#N 1P00AMGH [1,1,0,0,0,0|0,0,2]=4 2019 B10R1.15 NCC(=C)c1ccccc1 1P019VHO [1,1,0,0,0,0|0,0,1]=3 2020 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [1,1,0,0,0,0|0,0,1]=3 2021 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [1,1,0,0,0,0|0,0,1]=3 2022 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [1,1,0,0,0,0|1,0,1]=4 2023 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [1,1,0,0,0,0|1,0,1]=4 2024 B10R1.15 NCC(=O)c1ccncc1 1P00DIEI [1,1,0,0,0,0|1,0,1]=4 2025 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [1,1,0,0,0,0|0,0,0]=2 2026 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [1,1,0,0,0,0|0,0,0]=2 2027 B10R1.15 NCC(c1ccccc1)N 1P001X54 [1,1,0,0,0,0|0,0,0]=2 2028 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [1,1,0,0,0,0|0,0,0]=2 2029 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [1,1,0,0,0,0|0,0,0]=2 2030 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [1,1,0,0,0,0|1,0,0]=3 2031 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [1,1,0,0,0,0|1,0,0]=3 2032 B10R1.15 NCC(c1ccccn1)O 1P019LWP [1,1,0,0,0,0|1,0,0]=3 2033 B10R1.15 NCC(c1cccnc1)O 1P006JYO [1,1,0,0,0,0|1,0,0]=3 2034 B10R1.15 NCC(c1cccnc1)O 1P009SDI [1,1,0,0,0,0|1,0,0]=3 2035 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [1,1,0,0,0,0|1,0,0]=3 2036 B10R1.15 NCC(c1ccncc1)C 1P019ULY [1,1,0,0,0,0|1,0,0]=3 2037 B10R1.15 NCC(c1ccncc1)C 1P028YSF [1,1,0,0,0,0|1,0,0]=3 2038 B10R1.15 NCC(c1ccncc1)O 1P00IGKE [1,1,0,0,0,0|1,0,0]=3 2039 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [1,1,0,0,0,0|0,0,0]=2 2040 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [1,1,0,0,0,0|0,0,0]=2 2041 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [1,1,0,0,0,0|0,0,0]=2 2042 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [1,1,0,0,0,0|0,0,0]=2 2043 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [1,1,0,0,0,0|1,0,0]=3 2044 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [1,1,0,0,0,0|0,0,0]=2 2045 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [1,1,0,0,0,0|0,0,0]=2 2046 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [1,1,0,0,0,0|0,0,0]=2 2047 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [1,1,0,0,0,0|1,0,0]=3 2048 B10R1.15 NNC(=N)c1ccccc1 1P002X41 [1,1,0,0,0,0|1,0,1]=4 2049 B10R1.15 NNC(=O)c1ccccc1 1P003OJR [1,1,0,0,0,0|1,0,1]=4 2050 B10R1.15 NNC(=S)c1ccccc1 1P002AZ4 [1,1,0,0,0,0|1,0,1]=4 2051 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [1,1,0,0,0,0|1,0,0]=3 2052 B10R1.15 NNC(c1ccncc1)C 1P01C4JV [1,1,0,0,0,0|2,0,0]=4 2053 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [1,1,0,0,0,0|1,0,0]=3 2054 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [1,1,0,0,0,0|1,0,0]=3 2055 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [1,1,0,0,0,0|1,0,0]=3 2056 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [1,1,0,0,0,0|1,0,0]=3 2059 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.15 N[C@@H](c1ccccc1)C#C 1P028XYR [1,1,0,0,0,0|0,0,2]=4 2062 B10R1.15 N[C@@H](c1ccccc1)C#N 1P003IC6 [1,1,0,0,0,0|0,0,2]=4 2063 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [1,1,0,0,0,0|1,0,1]=4 2064 B10R1.15 OC(c1ccccc1)C#C 1P003F2P [1,1,0,0,0,0|0,0,2]=4 2065 B10R1.15 OC(c1ccccc1)C#N 1P0035L5 [1,1,0,0,0,0|0,0,2]=4 2066 B10R1.15 OCC(=C)c1ccccc1 1P0036LP [1,1,0,0,0,0|1,0,1]=4 2067 B10R1.15 OCC(=O)c1ccccc1 1P003HVU [1,1,0,0,0,0|1,0,1]=4 2068 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [1,1,0,0,0,0|1,0,0]=3 2069 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [1,1,0,0,0,0|1,0,0]=3 2070 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [1,1,0,0,0,0|1,0,0]=3 2071 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [1,1,0,0,0,0|2,0,0]=4 2072 B10R1.15 OCC(c1ccccn1)N 1P003GT3 [1,1,0,0,0,0|2,0,0]=4 2073 B10R1.15 OCC(c1ccccn1)O 1P0285SM [1,1,0,0,0,0|2,0,0]=4 2074 B10R1.15 OCC(c1cccnc1)N 1P0092VK [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.15 OCC(c1ccncc1)N 1P00171M [1,1,0,0,0,0|2,0,0]=4 2076 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [1,1,0,0,0,0|2,0,0]=4 2077 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [1,1,0,0,0,0|1,0,0]=3 2078 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [1,1,0,0,0,0|1,0,0]=3 2079 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [1,1,0,0,0,0|1,0,0]=3 2080 B10R1.15 OC[C@@H](c1ccccn1)N 1P01EMUX [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [1,1,0,0,0,0|1,0,0]=3 2082 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [1,1,0,0,0,0|1,0,0]=3 2083 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [1,1,0,0,0,0|1,0,0]=3 2084 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [1,1,0,0,0,0|1,0,0]=3 2085 B10R1.15 OC[C@H](c1ccccn1)N 1P01DWC6 [1,1,0,0,0,0|2,0,0]=4 2086 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [1,1,0,0,0,0|2,0,0]=4 2087 B10R1.15 OC[C@H](c1ccncc1)N 1P01KKX4 [1,1,0,0,0,0|2,0,0]=4 2088 B10R1.15 ONC(c1ccccc1)C 1P002XUP [1,1,0,0,0,0|2,0,0]=4 2089 B10R1.15 O[C@@H](c1ccccc1)C#C 1P003COU [1,1,0,0,0,0|0,0,2]=4 2090 B10R1.15 O[C@H](c1ccccc1)C#C 1P003D0N [1,1,0,0,0,0|0,0,2]=4 2091 B10R1.15 O[C@H](c1ccccc1)C#N 1P0001PU [1,1,0,0,0,0|0,0,2]=4 2092 B10R1.15 SCC(=O)c1ccccc1 1P00BIBD [1,1,0,0,0,0|1,0,1]=4 2093 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [1,1,0,0,0,0|0,0,1]=3 2095 B10R1.17 BrCC#Cc1ccccc1 1P01FEYM [1,1,0,0,0,0|0,0,2]=4 2096 B10R1.17 BrCCCc1ccccc1 1P003EL3 [1,1,0,0,0,0|0,0,0]=2 2097 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [1,1,0,0,0,0|1,0,0]=3 2098 B10R1.17 BrCCCc1ccncc1 1P01A6KW [1,1,0,0,0,0|1,0,0]=3 2099 B10R1.17 BrCCOc1ccccc1 1P003IB5 [1,1,0,0,0,0|1,0,0]=3 2100 B10R1.17 BrCCOc1cccnc1 1P01AG87 [1,1,0,0,0,0|2,0,0]=4 2101 B10R1.17 BrCCSc1ccccc1 1P003H8K [1,1,0,0,0,0|1,0,0]=3 2102 B10R1.17 BrCOCc1ccccc1 1P0025GN [1,1,0,0,0,0|1,0,0]=3 2103 B10R1.17 BrC\C=C\c1ccccc1 1P003PDK [1,1,0,0,0,0|0,0,2]=4 2104 B10R1.17 C#CCOc1ccccc1 1P003U5X [1,1,0,0,0,0|0,0,2]=4 2105 B10R1.17 C#CCSc1ccccc1 1P003U5Y [1,1,0,0,0,0|0,0,2]=4 2106 B10R1.17 C=CCCc1ccccc1 1P003MFS [1,1,0,0,0,0|0,0,1]=3 2107 B10R1.17 C=CCCc1ccccn1 1P002M25 [1,1,0,0,0,0|1,0,1]=4 2108 B10R1.17 C=CCCc1cccnc1 1P00663U [1,1,0,0,0,0|1,0,1]=4 2109 B10R1.17 C=CCNc1ccccc1 1P003T6A [1,1,0,0,0,0|0,0,2]=4 2110 B10R1.17 C=CCOc1ccccc1 1P00209R [1,1,0,0,0,0|0,0,2]=4 2111 B10R1.17 C=CCSc1ccccc1 1P003O6K [1,1,0,0,0,0|0,0,2]=4 2112 B10R1.17 C=COCc1ccccc1 1P003AEJ [1,1,0,0,0,0|0,0,2]=4 2113 B10R1.17 C=NOCc1ccccc1 1P027KVW [1,1,0,0,0,0|1,0,1]=4 2114 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [1,1,0,0,0,0|0,0,1]=3 2115 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [1,1,0,0,0,0|1,0,0]=3 2116 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [1,1,0,0,0,0|1,0,0]=3 2117 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [1,1,0,0,0,0|1,0,0]=3 2118 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [1,1,0,0,0,0|1,0,0]=3 2119 B10R1.17 CCCC[n+]1ccccc1 1P007726 [1,1,0,0,0,0|1,0,0]=3 2120 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [1,1,0,0,0,0|1,0,0]=3 2121 B10R1.17 CCCCc1ccccc1 1P003P2W [1,1,0,0,0,0|0,0,0]=2 2122 B10R1.17 CCCCc1ccccn1 1P01FFM0 [1,1,0,0,0,0|1,0,0]=3 2123 B10R1.17 CCCCc1cccnc1 1P00343V [1,1,0,0,0,0|1,0,0]=3 2124 B10R1.17 CCCCc1ccncc1 1P00I9ZL [1,1,0,0,0,0|1,0,0]=3 2125 B10R1.17 CCCNc1ccccc1 1P003TSL [1,1,0,0,0,0|0,0,0]=2 2126 B10R1.17 CCCNc1cccnc1 1P019YSP [1,1,0,0,0,0|1,0,0]=3 2127 B10R1.17 CCCOc1ccccc1 1P00E98Z [1,1,0,0,0,0|0,0,0]=2 2128 B10R1.17 CCCOc1cccnn1 1P005TEB [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.17 CCCSc1ccccn1 1P01EV41 [1,1,0,0,0,0|1,0,0]=3 2131 B10R1.17 CCNCc1ccccc1 1P003TGS [1,1,0,0,0,0|0,0,0]=2 2132 B10R1.17 CCNCc1ccccn1 1P003SQR [1,1,0,0,0,0|1,0,0]=3 2133 B10R1.17 CCNCc1cccnc1 1P003TH6 [1,1,0,0,0,0|1,0,0]=3 2134 B10R1.17 CCNCc1ccncc1 1P003KOX [1,1,0,0,0,0|1,0,0]=3 2135 B10R1.17 CCSCc1ccccn1 1P007ETZ [1,1,0,0,0,0|1,0,0]=3 2136 B10R1.17 CNCCc1ccccc1 1P003TP4 [1,1,0,0,0,0|0,0,0]=2 2137 B10R1.17 CNCCc1ccccc1 1P00CJS7 [1,1,0,0,0,0|0,0,0]=2 2138 B10R1.17 CNCCc1ccccn1 1P003OMV [1,1,0,0,0,0|1,0,0]=3 2139 B10R1.17 CNCCc1ccccn1 1P003TMX [1,1,0,0,0,0|1,0,0]=3 2140 B10R1.17 CNCCc1ccccn1 1P00IAF0 [1,1,0,0,0,0|1,0,0]=3 2141 B10R1.17 CNCCc1cccnc1 1P00025V [1,1,0,0,0,0|1,0,0]=3 2142 B10R1.17 CNCCc1cccnc1 1P0039D0 [1,1,0,0,0,0|1,0,0]=3 2143 B10R1.17 CNCCc1ccncc1 1P0004J6 [1,1,0,0,0,0|1,0,0]=3 2144 B10R1.17 CNCCc1ccncc1 1P00D8ZU [1,1,0,0,0,0|1,0,0]=3 2145 B10R1.17 CNCCc1cnccn1 1P01A4OO [1,1,0,0,0,0|2,0,0]=4 2146 B10R1.17 CNCCc1ncccn1 1P01FKV1 [1,1,0,0,0,0|2,0,0]=4 2147 B10R1.17 CNNCc1ccccc1 1P007YMP [1,1,0,0,0,0|1,0,0]=3 2148 B10R1.17 CNNCc1ccccc1 1P01EKFO [1,1,0,0,0,0|1,0,0]=3 2149 B10R1.17 CNNCc1cccnc1 1P00IGF8 [1,1,0,0,0,0|2,0,0]=4 2150 B10R1.17 CNOCc1ccccc1 1P005PAZ [1,1,0,0,0,0|1,0,0]=3 2151 B10R1.17 CNOCc1ccccc1 1P01A29U [1,1,0,0,0,0|1,0,0]=3 2152 B10R1.17 COCCc1ccccc1 1P003C4E [1,1,0,0,0,0|0,0,0]=2 2153 B10R1.17 COCSc1ccccc1 1P0019FA [1,1,0,0,0,0|1,0,0]=3 2154 B10R1.17 CONCc1ccccc1 1P006Y6C [1,1,0,0,0,0|1,0,0]=3 2155 B10R1.17 CONCc1ccccc1 1P01A5XA [1,1,0,0,0,0|1,0,0]=3 2156 B10R1.17 ClCC#Cc1ccccc1 1P003C8O [1,1,0,0,0,0|0,0,2]=4 2157 B10R1.17 ClCC=Cc1ccccc1 1P00BCUF [1,1,0,0,0,0|0,0,2]=4 2158 B10R1.17 ClCCCc1ccccc1 1P003BI4 [1,1,0,0,0,0|0,0,0]=2 2159 B10R1.17 ClCCCc1ccccn1 1P01A6KY [1,1,0,0,0,0|1,0,0]=3 2160 B10R1.17 ClCCCc1cccnc1 1P002L24 [1,1,0,0,0,0|1,0,0]=3 2161 B10R1.17 ClCCCc1ccncc1 1P00AKXB [1,1,0,0,0,0|1,0,0]=3 2162 B10R1.17 ClCCNc1ccccc1 1P01DXCM [1,1,0,0,0,0|1,0,0]=3 2163 B10R1.17 ClCCNc1ccccc1 1P0280C1 [1,1,0,0,0,0|1,0,0]=3 2164 B10R1.17 ClCCOc1ccccc1 1P00IBGC [1,1,0,0,0,0|1,0,0]=3 2165 B10R1.17 ClCCSc1ccccc1 1P003C3J [1,1,0,0,0,0|1,0,0]=3 2166 B10R1.17 ClCOCc1ccccc1 1P0034YY [1,1,0,0,0,0|1,0,0]=3 2167 B10R1.17 ClCSCc1ccccc1 1P003OKP [1,1,0,0,0,0|1,0,0]=3 2168 B10R1.17 ClC\C=C\c1ccccc1 1P002LHG [1,1,0,0,0,0|0,0,2]=4 2169 B10R1.17 ICCCc1ccccc1 1P003EWA [1,1,0,0,0,0|0,0,0]=2 2170 B10R1.17 ICCOc1ccccc1 1P00C6JI [1,1,0,0,0,0|1,0,0]=3 2171 B10R1.17 N#CCCc1ccccc1 1P003KCJ [1,1,0,0,0,0|0,0,1]=3 2172 B10R1.17 N#CCCc1ccccn1 1P00C65K [1,1,0,0,0,0|1,0,1]=4 2173 B10R1.17 N#CCCc1ccncc1 1P004YZ0 [1,1,0,0,0,0|1,0,1]=4 2174 B10R1.17 N#CCNc1ccccc1 1P00I63F [1,1,0,0,0,0|0,0,2]=4 2175 B10R1.17 N#CCOc1ccccc1 1P003U55 [1,1,0,0,0,0|0,0,2]=4 2176 B10R1.17 N#CCSc1ccccc1 1P003U6Y [1,1,0,0,0,0|0,0,2]=4 2177 B10R1.17 N#CSCc1ccccc1 1P003OLC [1,1,0,0,0,0|0,0,2]=4 2178 B10R1.17 NCC#Cc1ccccc1 1P003KC2 [1,1,0,0,0,0|0,0,1]=3 2179 B10R1.17 NCC#Cc1cccnc1 1P00582X [1,1,0,0,0,0|1,0,1]=4 2180 B10R1.17 NCC#Cc1cccnc1 1P01EN8Z [1,1,0,0,0,0|1,0,1]=4 2181 B10R1.17 NCC=Cc1ccccn1 1P028BLD [1,1,0,0,0,0|1,0,1]=4 2182 B10R1.17 NCC=Cc1cccnc1 1P01BC7Z [1,1,0,0,0,0|1,0,1]=4 2183 B10R1.17 NCCCc1ccccc1 1P0029L7 [1,1,0,0,0,0|0,0,0]=2 2184 B10R1.17 NCCCc1ccccn1 1P001OQL [1,1,0,0,0,0|1,0,0]=3 2185 B10R1.17 NCCCc1ccccn1 1P01DW4S [1,1,0,0,0,0|1,0,0]=3 2186 B10R1.17 NCCCc1cccnc1 1P003IJD [1,1,0,0,0,0|1,0,0]=3 2187 B10R1.17 NCCCc1cccnc1 1P00G3KB [1,1,0,0,0,0|1,0,0]=3 2188 B10R1.17 NCCCc1cccnc1 1P00GW1W [1,1,0,0,0,0|1,0,0]=3 2189 B10R1.17 NCCCc1ccncc1 1P0030W7 [1,1,0,0,0,0|1,0,0]=3 2190 B10R1.17 NCCCc1ccncn1 1P028A28 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.17 NCCCc1ccnnc1 1P01DZHV [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.17 NCCCc1cnccn1 1P01A20P [1,1,0,0,0,0|2,0,0]=4 2193 B10R1.17 NCCCc1cncnc1 1P0083W7 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.17 NCCCc1cncnc1 1P01C52M [1,1,0,0,0,0|2,0,0]=4 2195 B10R1.17 NCCCc1nccnc1 1P028JZE [1,1,0,0,0,0|2,0,0]=4 2196 B10R1.17 NCCNc1ccccc1 1P001X6L [1,1,0,0,0,0|0,0,0]=2 2197 B10R1.17 NCCNc1ccccn1 1P005U60 [1,1,0,0,0,0|1,0,0]=3 2198 B10R1.17 NCCNc1cccnc1 1P00EEGU [1,1,0,0,0,0|1,0,0]=3 2199 B10R1.17 NCCNc1cccnn1 1P01AAKT [1,1,0,0,0,0|2,0,0]=4 2200 B10R1.17 NCCNc1cccnn1 1P01EKLI [1,1,0,0,0,0|2,0,0]=4 2201 B10R1.17 NCCNc1ccncc1 1P00ECDE [1,1,0,0,0,0|1,0,0]=3 2202 B10R1.17 NCCNc1cnccn1 1P019MGE [1,1,0,0,0,0|2,0,0]=4 2203 B10R1.17 NCCNc1ncccn1 1P00141N [1,1,0,0,0,0|2,0,0]=4 2204 B10R1.17 NCCNc1ncccn1 1P01B2V0 [1,1,0,0,0,0|2,0,0]=4 2205 B10R1.17 NCCOc1ccccc1 1P0021OC [1,1,0,0,0,0|0,0,0]=2 2206 B10R1.17 NCCOc1ccccc1 1P0027L1 [1,1,0,0,0,0|0,0,0]=2 2207 B10R1.17 NCCOc1ccccn1 1P002YW0 [1,1,0,0,0,0|1,0,0]=3 2208 B10R1.17 NCCOc1ccccn1 1P027ZNS [1,1,0,0,0,0|1,0,0]=3 2209 B10R1.17 NCCOc1cccnc1 1P0032JP [1,1,0,0,0,0|1,0,0]=3 2210 B10R1.17 NCCOc1ccncc1 1P00DK84 [1,1,0,0,0,0|1,0,0]=3 2211 B10R1.17 NCCOc1ncccn1 1P024VFV [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.17 NCCSc1ccccc1 1P002DUS [1,1,0,0,0,0|0,0,0]=2 2213 B10R1.17 NCCSc1ccccc1 1P00J3FE [1,1,0,0,0,0|0,0,0]=2 2214 B10R1.17 NCCSc1ccccn1 1P00J1LL [1,1,0,0,0,0|1,0,0]=3 2215 B10R1.17 NCCSc1ncccn1 1P028BWD [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [1,1,0,0,0,0|0,0,1]=3 2217 B10R1.17 NNCCc1ccccc1 1P001OVR [1,1,0,0,0,0|0,0,0]=2 2218 B10R1.17 NNCCc1ccccc1 1P00B63Y [1,1,0,0,0,0|0,0,0]=2 2219 B10R1.17 NNCCc1ccccc1 1P00DB0J [1,1,0,0,0,0|0,0,0]=2 2220 B10R1.17 NNCCc1ccccc1 1P00I9LM [1,1,0,0,0,0|0,0,0]=2 2221 B10R1.17 NNCCc1ccccn1 1P006VW3 [1,1,0,0,0,0|1,0,0]=3 2222 B10R1.17 NNCCc1ccccn1 1P01A12H [1,1,0,0,0,0|1,0,0]=3 2223 B10R1.17 NNCCc1ccncc1 1P01BA79 [1,1,0,0,0,0|1,0,0]=3 2224 B10R1.17 NOCCc1ccccc1 1P0071ZN [1,1,0,0,0,0|0,0,0]=2 2225 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [1,1,0,0,0,0|1,0,1]=4 2226 B10R1.17 O=CCCc1ccccc1 1P003RFA [1,1,0,0,0,0|0,0,1]=3 2227 B10R1.17 O=CCCc1ccccn1 1P00BGWO [1,1,0,0,0,0|1,0,1]=4 2228 B10R1.17 O=CCCc1cccnc1 1P00228Y [1,1,0,0,0,0|1,0,1]=4 2229 B10R1.17 O=CCCc1ccncc1 1P0075XB [1,1,0,0,0,0|1,0,1]=4 2230 B10R1.17 O=CCOc1ccccc1 1P007P8S [1,1,0,0,0,0|1,0,1]=4 2231 B10R1.17 O=CNCc1ccccc1 1P003T8E [1,1,0,0,0,0|1,0,1]=4 2232 B10R1.17 O=COCc1ccccc1 1P008RMC [1,1,0,0,0,0|1,0,1]=4 2233 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [1,1,0,0,0,0|0,0,2]=4 2234 B10R1.17 OCC#Cc1ccccc1 1P001N1G [1,1,0,0,0,0|0,0,2]=4 2235 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [1,1,0,0,0,0|0,0,2]=4 2236 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [1,1,0,0,0,0|0,0,2]=4 2237 B10R1.17 OCCCc1ccccc1 1P00170B [1,1,0,0,0,0|0,0,0]=2 2238 B10R1.17 OCCCc1ccccn1 1P002W8D [1,1,0,0,0,0|1,0,0]=3 2239 B10R1.17 OCCCc1ccccn1 1P003II3 [1,1,0,0,0,0|1,0,0]=3 2240 B10R1.17 OCCCc1cccnc1 1P002W8E [1,1,0,0,0,0|1,0,0]=3 2241 B10R1.17 OCCCc1ccncc1 1P002T2T [1,1,0,0,0,0|1,0,0]=3 2242 B10R1.17 OCCCc1ccncn1 1P007B3A [1,1,0,0,0,0|2,0,0]=4 2243 B10R1.17 OCCNc1ccccc1 1P00170A [1,1,0,0,0,0|1,0,0]=3 2244 B10R1.17 OCCNc1ccccn1 1P00GWAF [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.17 OCCNc1ccccn1 1P01F2SN [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.17 OCCNc1cccnc1 1P028RNR [1,1,0,0,0,0|2,0,0]=4 2247 B10R1.17 OCCNc1ccncc1 1P002G57 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.17 OCCOc1ccccc1 1P0033W0 [1,1,0,0,0,0|1,0,0]=3 2249 B10R1.17 OCCOc1cccnc1 1P000QDL [1,1,0,0,0,0|2,0,0]=4 2250 B10R1.17 OCCSc1ccccc1 1P003FKS [1,1,0,0,0,0|1,0,0]=3 2251 B10R1.17 OCCSc1ccccn1 1P008PC7 [1,1,0,0,0,0|2,0,0]=4 2252 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [1,1,0,0,0,0|0,0,2]=4 2253 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [1,1,0,0,0,0|0,0,2]=4 2254 B10R1.17 ONCCc1ccccc1 1P00CZ3B [1,1,0,0,0,0|0,0,0]=2 2255 B10R1.17 S=C=NCc1ccccc1 1P0034Z1 [1,1,0,0,0,0|1,0,1]=4 2256 B10R1.17 SCCCc1ccccc1 1P002PQQ [1,1,0,0,0,0|0,0,0]=2 2257 B10R1.17 SCCCc1ccncc1 1P00CEFN [1,1,0,0,0,0|1,0,0]=3 2258 B10R1.17 SCCOc1ccccc1 1P0037FU [1,1,0,0,0,0|1,0,0]=3 2259 B10R1.17 SCCSc1ccccc1 1P00ALQK [1,1,0,0,0,0|1,0,0]=3 2260 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [1,1,0,0,0,0|0,0,1]=3 2261 B10R1.17 [C-]#[N+]CSc1ccccc1 1P0281A6 [1,1,0,0,0,0|1,0,1]=4 2262 B10R1.17 [N-]=[N+]=NCc1ccccc1 1P003OKM [1,1,0,0,0,0|1,0,1]=4 2263 B10R1.13 Brc1ccc(cc1)C(Br)C 1P00BJF5 [0,1,0,0,1,0|1,0,0]=3 2264 B10R1.13 Brc1ccc(cc1)S(=O)C 1P006325 [0,1,0,0,1,0|2,0,0]=4 2265 B10R1.13 Brc1ccc(cn1)C(C)C 1P01FSQM [0,1,0,0,1,0|2,0,0]=4 2266 B10R1.13 Brc1ccc(cn1)C(O)C 1P00A6BK [0,1,0,0,1,0|2,0,0]=4 2267 B10R1.13 Brc1ccc(cn1)[C@@H](N)C 1P00HGKC [0,1,0,0,1,0|1,0,0]=3 2268 B10R1.13 Brc1ccc(cn1)[C@@H](O)C 1P028HPX [0,1,0,0,1,0|2,0,0]=4 2269 B10R1.13 Brc1ccc(cn1)[C@H](N)C 1P01M0WP [0,1,0,0,1,0|1,0,0]=3 2270 B10R1.13 Brc1ccc(nc1)C(C)C 1P000HQZ [0,1,0,0,1,0|2,0,0]=4 2271 B10R1.13 Brc1ccc(nc1)C(N)C 1P01BH2H [0,1,0,0,1,0|1,0,0]=3 2272 B10R1.13 Brc1ccc(nc1)C(O)C 1P001RLP [0,1,0,0,1,0|2,0,0]=4 2273 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P000T08 [0,1,0,0,1,0|1,0,0]=3 2274 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P001AV5 [0,1,0,0,1,0|1,0,0]=3 2275 B10R1.13 Brc1ccc(nc1)[C@@H](N)C 1P00IH89 [0,1,0,0,1,0|1,0,0]=3 2276 B10R1.13 Brc1ccc(nc1)[C@@H](O)C 1P00K74A [0,1,0,0,1,0|2,0,0]=4 2277 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P00IJH3 [0,1,0,0,1,0|1,0,0]=3 2278 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P01DECR [0,1,0,0,1,0|1,0,0]=3 2279 B10R1.13 Brc1ccc(nc1)[C@H](N)C 1P024IA0 [0,1,0,0,1,0|1,0,0]=3 2280 B10R1.13 Brc1ccc(nc1)[C@H](O)C 1P01XA6D [0,1,0,0,1,0|2,0,0]=4 2281 B10R1.13 CC(=C)c1ccc(cc1)Br 1P01DFHT [0,1,0,0,1,0|1,0,1]=4 2282 B10R1.13 CC(=C)c1ccc(cc1)Cl 1P003LMX [0,1,0,0,1,0|1,0,1]=4 2283 B10R1.13 CC(=C)c1ccc(cc1)F 1P003ESP [0,1,0,0,1,0|1,0,1]=4 2284 B10R1.13 CC(=C)c1ccc(cc1)I 1P01DFI7 [0,1,0,0,1,0|1,0,1]=4 2285 B10R1.13 CC(=C)c1ccc(cc1)O 1P003U4X [0,1,0,0,1,0|1,0,1]=4 2286 B10R1.13 CC(=O)c1ccc(cc1)Br 1P0034EQ [0,1,0,0,1,0|1,0,1]=4 2287 B10R1.13 CC(=O)c1ccc(cc1)Cl 1P0034GF [0,1,0,0,1,0|1,0,1]=4 2288 B10R1.13 CC(=O)c1ccc(cc1)F 1P0034HV [0,1,0,0,1,0|1,0,1]=4 2289 B10R1.13 CC(=O)c1ccc(cc1)I 1P00150G [0,1,0,0,1,0|1,0,1]=4 2290 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7C [0,1,0,0,1,0|1,0,1]=4 2291 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7D [0,1,0,0,1,0|1,0,1]=4 2292 B10R1.13 CC(=O)c1ccc(cc1)O 1P0034IP [0,1,0,0,1,0|1,0,1]=4 2293 B10R1.13 CC(=O)c1ccc(cc1)S 1P00CAPQ [0,1,0,0,1,0|1,0,1]=4 2294 B10R1.13 CC(c1cc[n+](cc1)[O-])C 1P01F547 [0,1,0,0,1,0|2,0,0]=4 2295 B10R1.13 CC(c1ccc(cc1)Br)C 1P003LGJ [0,1,0,0,1,0|1,0,0]=3 2296 B10R1.13 CC(c1ccc(cc1)Br)Cl 1P019ZE7 [0,1,0,0,1,0|1,0,0]=3 2297 B10R1.13 CC(c1ccc(cc1)Br)F 1P001R1P [0,1,0,0,1,0|1,0,0]=3 2298 B10R1.13 CC(c1ccc(cc1)Br)N 1P006WO1 [0,1,0,0,1,0|0,0,0]=2 2299 B10R1.13 CC(c1ccc(cc1)Br)N 1P00IGF4 [0,1,0,0,1,0|0,0,0]=2 2300 B10R1.13 CC(c1ccc(cc1)Br)O 1P003DF9 [0,1,0,0,1,0|1,0,0]=3 2301 B10R1.13 CC(c1ccc(cc1)Cl)Br 1P001FUU [0,1,0,0,1,0|1,0,0]=3 2302 B10R1.13 CC(c1ccc(cc1)Cl)C 1P002SQZ [0,1,0,0,1,0|1,0,0]=3 2303 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00DL24 [0,1,0,0,1,0|0,0,0]=2 2304 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00EAR0 [0,1,0,0,1,0|0,0,0]=2 2305 B10R1.13 CC(c1ccc(cc1)Cl)O 1P003DFQ [0,1,0,0,1,0|1,0,0]=3 2306 B10R1.13 CC(c1ccc(cc1)Cl)S 1P01A82Y [0,1,0,0,1,0|1,0,0]=3 2307 B10R1.13 CC(c1ccc(cc1)F)Br 1P00EC6O [0,1,0,0,1,0|1,0,0]=3 2308 B10R1.13 CC(c1ccc(cc1)F)C 1P003ESU [0,1,0,0,1,0|1,0,0]=3 2309 B10R1.13 CC(c1ccc(cc1)F)Cl 1P00DQWN [0,1,0,0,1,0|1,0,0]=3 2310 B10R1.13 CC(c1ccc(cc1)F)N 1P003DGB [0,1,0,0,1,0|0,0,0]=2 2311 B10R1.13 CC(c1ccc(cc1)F)N 1P00CMBL [0,1,0,0,1,0|0,0,0]=2 2312 B10R1.13 CC(c1ccc(cc1)F)O 1P003DGC [0,1,0,0,1,0|1,0,0]=3 2313 B10R1.13 CC(c1ccc(cc1)F)S 1P01A82X [0,1,0,0,1,0|1,0,0]=3 2314 B10R1.13 CC(c1ccc(cc1)I)Br 1P0283HF [0,1,0,0,1,0|1,0,0]=3 2315 B10R1.13 CC(c1ccc(cc1)I)C 1P001ZHJ [0,1,0,0,1,0|1,0,0]=3 2316 B10R1.13 CC(c1ccc(cc1)I)N 1P006KJJ [0,1,0,0,1,0|0,0,0]=2 2317 B10R1.13 CC(c1ccc(cc1)I)O 1P00DZFM [0,1,0,0,1,0|1,0,0]=3 2318 B10R1.13 CC(c1ccc(cc1)N)C 1P0034JO [0,1,0,0,1,0|1,0,0]=3 2319 B10R1.13 CC(c1ccc(cc1)N)O 1P001DTE [0,1,0,0,1,0|1,0,0]=3 2320 B10R1.13 CC(c1ccc(cc1)O)C 1P0034JR [0,1,0,0,1,0|1,0,0]=3 2321 B10R1.13 CC(c1ccc(cc1)O)N 1P009BNU [0,1,0,0,1,0|0,0,0]=2 2322 B10R1.13 CC(c1ccc(cc1)O)N 1P00J27B [0,1,0,0,1,0|0,0,0]=2 2323 B10R1.13 CC(c1ccc(cc1)S)C 1P003CCT [0,1,0,0,1,0|1,0,0]=3 2324 B10R1.13 CC(c1ccc(cc1)S)O 1P01BD1Q [0,1,0,0,1,0|1,0,0]=3 2325 B10R1.13 CC(c1cnc(cn1)Cl)N 1P01BDD6 [0,1,0,0,1,0|2,0,0]=4 2326 B10R1.13 CC(c1cnc(cn1)Cl)N 1P0287OD [0,1,0,0,1,0|2,0,0]=4 2327 B10R1.13 CC(c1ncc(cn1)Br)N 1P01AMCF [0,1,0,0,1,0|2,0,0]=4 2328 B10R1.13 CC(c1ncc(cn1)Br)N 1P01FJ5Q [0,1,0,0,1,0|2,0,0]=4 2329 B10R1.13 CC(c1ncc(cn1)F)N 1P009KH9 [0,1,0,0,1,0|2,0,0]=4 2330 B10R1.13 CN(c1ccc(cc1)Br)C 1P0034F8 [0,1,0,0,1,0|2,0,0]=4 2331 B10R1.13 CN(c1ccc(cc1)Cl)C 1P003LO8 [0,1,0,0,1,0|2,0,0]=4 2332 B10R1.13 CN(c1ccc(cc1)F)C 1P003LW9 [0,1,0,0,1,0|2,0,0]=4 2333 B10R1.13 CN(c1ccc(cc1)I)C 1P005HRP [0,1,0,0,1,0|2,0,0]=4 2334 B10R1.13 CN(c1ccc(cc1)N)C 1P002AEI [0,1,0,0,1,0|2,0,0]=4 2335 B10R1.13 CN(c1ccc(cc1)N)C 1P0035S8 [0,1,0,0,1,0|2,0,0]=4 2336 B10R1.13 CN(c1ccc(cc1)N)C 1P00DEKZ [0,1,0,0,1,0|2,0,0]=4 2337 B10R1.13 CN(c1ccc(cc1)N)C 1P00DET0 [0,1,0,0,1,0|2,0,0]=4 2338 B10R1.13 CN(c1ccc(cc1)N)C 1P00ILYW [0,1,0,0,1,0|2,0,0]=4 2339 B10R1.13 CN(c1ccc(cc1)O)C 1P00IAX4 [0,1,0,0,1,0|2,0,0]=4 2340 B10R1.13 CN(c1ccc(cc1)O)C 1P00IBEJ [0,1,0,0,1,0|2,0,0]=4 2341 B10R1.13 CN(c1ccc(cc1)S)C 1P003KOP [0,1,0,0,1,0|2,0,0]=4 2342 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P0038KT [0,1,0,0,1,0|0,0,0]=2 2343 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P00G42K [0,1,0,0,1,0|0,0,0]=2 2344 B10R1.13 C[C@@H](c1ccc(cc1)Br)O 1P0003B7 [0,1,0,0,1,0|1,0,0]=3 2345 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P003CZG [0,1,0,0,1,0|0,0,0]=2 2346 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P00EJGP [0,1,0,0,1,0|0,0,0]=2 2347 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O 1P003D38 [0,1,0,0,1,0|1,0,0]=3 2348 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P003CTR [0,1,0,0,1,0|0,0,0]=2 2349 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P009CLZ [0,1,0,0,1,0|0,0,0]=2 2350 B10R1.13 C[C@@H](c1ccc(cc1)F)O 1P0004GE [0,1,0,0,1,0|1,0,0]=3 2351 B10R1.13 C[C@@H](c1ccc(cc1)I)N 1P00HSQG [0,1,0,0,1,0|0,0,0]=2 2352 B10R1.13 C[C@@H](c1ccc(cc1)I)O 1P01AH65 [0,1,0,0,1,0|1,0,0]=3 2353 B10R1.13 C[C@@H](c1ccc(cc1)N)O 1P01A474 [0,1,0,0,1,0|1,0,0]=3 2354 B10R1.13 C[C@@H](c1ccc(cc1)O)N 1P01X08H [0,1,0,0,1,0|0,0,0]=2 2355 B10R1.13 C[C@@H](c1ncc(cn1)Br)N 1P027ZNF [0,1,0,0,1,0|2,0,0]=4 2356 B10R1.13 C[C@@H](c1ncc(cn1)F)N 1P00GUDJ [0,1,0,0,1,0|2,0,0]=4 2357 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CL3 [0,1,0,0,1,0|0,0,0]=2 2358 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CNO [0,1,0,0,1,0|0,0,0]=2 2359 B10R1.13 C[C@H](c1ccc(cc1)Br)O 1P003CQX [0,1,0,0,1,0|1,0,0]=3 2360 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P000DML [0,1,0,0,1,0|0,0,0]=2 2361 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P003CNP [0,1,0,0,1,0|0,0,0]=2 2362 B10R1.13 C[C@H](c1ccc(cc1)Cl)O 1P003CQY [0,1,0,0,1,0|1,0,0]=3 2363 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P003CNQ [0,1,0,0,1,0|0,0,0]=2 2364 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P00C70Z [0,1,0,0,1,0|0,0,0]=2 2365 B10R1.13 C[C@H](c1ccc(cc1)F)O 1P0004GH [0,1,0,0,1,0|1,0,0]=3 2366 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P000N1E [0,1,0,0,1,0|0,0,0]=2 2367 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P001MR0 [0,1,0,0,1,0|0,0,0]=2 2368 B10R1.13 C[C@H](c1ccc(cc1)I)O 1P01AAE3 [0,1,0,0,1,0|1,0,0]=3 2369 B10R1.13 C[C@H](c1ccc(cc1)N)O 1P01A4RA [0,1,0,0,1,0|1,0,0]=3 2370 B10R1.13 C[C@H](c1ccc(cc1)O)N 1P01DUO1 [0,1,0,0,1,0|0,0,0]=2 2371 B10R1.13 C[C@H](c1ncc(cn1)Br)N 1P028SHP [0,1,0,0,1,0|2,0,0]=4 2372 B10R1.13 Cc1ccc(cc1)C(=O)C 1P0034KH [0,1,0,0,1,0|1,0,1]=4 2373 B10R1.13 Cc1ccc(cc1)C(Br)C 1P00VUTW [0,1,0,0,1,0|1,0,0]=3 2374 B10R1.13 Cc1ccc(cc1)C(C)C 1P003564 [0,1,0,0,1,0|1,0,0]=3 2375 B10R1.13 Cc1ccc(cc1)C(C)C 1P00IKVY [0,1,0,0,1,0|1,0,0]=3 2376 B10R1.13 Cc1ccc(cc1)C(Cl)C 1P028YLR [0,1,0,0,1,0|1,0,0]=3 2377 B10R1.13 Cc1ccc(cc1)C(N)C 1P0032ZG [0,1,0,0,1,0|0,0,0]=2 2378 B10R1.13 Cc1ccc(cc1)C(O)C 1P003DHB [0,1,0,0,1,0|1,0,0]=3 2379 B10R1.13 Cc1ccc(cc1)N(C)C 1P003SWY [0,1,0,0,1,0|2,0,0]=4 2380 B10R1.13 Cc1ccc(cc1)S(=O)C 1P003EYO [0,1,0,0,1,0|2,0,0]=4 2381 B10R1.13 Cc1ccc(cc1)S(=O)N 1P0034KI [0,1,0,0,1,0|2,0,0]=4 2382 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P003CTT [0,1,0,0,1,0|0,0,0]=2 2383 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P00G7UO [0,1,0,0,1,0|0,0,0]=2 2384 B10R1.13 Cc1ccc(cc1)[C@@H](O)C 1P00DA1A [0,1,0,0,1,0|1,0,0]=3 2385 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P0032V0 [0,1,0,0,1,0|0,0,0]=2 2386 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P00CJ86 [0,1,0,0,1,0|0,0,0]=2 2387 B10R1.13 Cc1ccc(cc1)[C@H](O)C 1P00C0M3 [0,1,0,0,1,0|1,0,0]=3 2388 B10R1.13 Cc1ccc(cc1)[S@@](=O)C 1P003CVR [0,1,0,0,1,0|2,0,0]=4 2389 B10R1.13 Cc1ccc(cc1)[S@@](=O)N 1P002PL9 [0,1,0,0,1,0|2,0,0]=4 2390 B10R1.13 Cc1ccc(cc1)[S@](=O)C 1P003CMM [0,1,0,0,1,0|2,0,0]=4 2391 B10R1.13 Cc1ccc(cc1)[S@](=O)N 1P002HDM [0,1,0,0,1,0|2,0,0]=4 2392 B10R1.13 Cc1ccc(cn1)C(C)C 1P01ADK0 [0,1,0,0,1,0|2,0,0]=4 2393 B10R1.13 Cc1ccc(cn1)C(N)C 1P006LP4 [0,1,0,0,1,0|1,0,0]=3 2394 B10R1.13 Cc1ccc(cn1)C(O)C 1P0001NO [0,1,0,0,1,0|2,0,0]=4 2395 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P00BJS2 [0,1,0,0,1,0|1,0,0]=3 2396 B10R1.13 Cc1ccc(cn1)[C@@H](N)C 1P024G2C [0,1,0,0,1,0|1,0,0]=3 2397 B10R1.13 Cc1ccc(nc1)C(N)C 1P0046CL [0,1,0,0,1,0|1,0,0]=3 2398 B10R1.13 Cc1ccc(nc1)C(N)C 1P008XPV [0,1,0,0,1,0|1,0,0]=3 2399 B10R1.13 Cc1ccc(nc1)C(O)C 1P00ICNQ [0,1,0,0,1,0|2,0,0]=4 2400 B10R1.13 Cc1cnc(cn1)C(N)C 1P027TQR [0,1,0,0,1,0|2,0,0]=4 2401 B10R1.13 Cc1cnc(nc1)C(N)C 1P028K95 [0,1,0,0,1,0|2,0,0]=4 2402 B10R1.13 Cc1ncc(cn1)C(N)C 1P01XD68 [0,1,0,0,1,0|2,0,0]=4 2403 B10R1.13 ClC(c1ccc(cc1)F)Cl 1P003LVI [0,1,0,0,1,0|2,0,0]=4 2404 B10R1.13 Clc1ccc(cc1)C(Cl)C 1P019YRQ [0,1,0,0,1,0|1,0,0]=3 2405 B10R1.13 Clc1ccc(cc1)C(Cl)Cl 1P001BEK [0,1,0,0,1,0|2,0,0]=4 2406 B10R1.13 Clc1ccc(cc1)S(=O)C 1P00GS94 [0,1,0,0,1,0|2,0,0]=4 2407 B10R1.13 Clc1ccc(cn1)C(Br)C 1P01BQIM [0,1,0,0,1,0|2,0,0]=4 2408 B10R1.13 Clc1ccc(cn1)C(C)C 1P01A3BJ [0,1,0,0,1,0|2,0,0]=4 2409 B10R1.13 Clc1ccc(cn1)C(N)C 1P009XYF [0,1,0,0,1,0|1,0,0]=3 2410 B10R1.13 Clc1ccc(cn1)C(O)C 1P00C3HJ [0,1,0,0,1,0|2,0,0]=4 2411 B10R1.13 Clc1ccc(cn1)[C@@H](N)C 1P01KKL8 [0,1,0,0,1,0|1,0,0]=3 2412 B10R1.13 Clc1ccc(cn1)[C@@H](N)C 1P01XGHO [0,1,0,0,1,0|1,0,0]=3 2413 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01DUQ4 [0,1,0,0,1,0|1,0,0]=3 2414 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01V2JD [0,1,0,0,1,0|1,0,0]=3 2415 B10R1.13 Clc1ccc(cn1)[C@H](N)C 1P01XGHP [0,1,0,0,1,0|1,0,0]=3 2416 B10R1.13 Clc1ccc(nc1)C(Br)C 1P028OW9 [0,1,0,0,1,0|2,0,0]=4 2417 B10R1.13 Clc1ccc(nc1)C(N)C 1P01AGR4 [0,1,0,0,1,0|1,0,0]=3 2418 B10R1.13 Clc1ccc(nc1)C(O)C 1P01B4TW [0,1,0,0,1,0|2,0,0]=4 2419 B10R1.13 Clc1ccc(nc1)[C@@H](N)C 1P00H2T0 [0,1,0,0,1,0|1,0,0]=3 2420 B10R1.13 Clc1ccc(nc1)[C@@H](N)C 1P01AGOM [0,1,0,0,1,0|1,0,0]=3 2421 B10R1.13 Clc1ccc(nc1)[C@@H](O)C 1P01AGOI [0,1,0,0,1,0|2,0,0]=4 2422 B10R1.13 Clc1ccc(nc1)[C@H](N)C 1P01AGO6 [0,1,0,0,1,0|1,0,0]=3 2423 B10R1.13 Clc1ccc(nc1)[C@H](O)C 1P01AGOS [0,1,0,0,1,0|2,0,0]=4 2424 B10R1.13 FC(c1ccc(cc1)Br)F 1P00336G [0,1,0,0,1,0|2,0,0]=4 2425 B10R1.13 FC(c1ccc(cc1)C)F 1P01CAO3 [0,1,0,0,1,0|2,0,0]=4 2426 B10R1.13 FC(c1ccc(cc1)Cl)F 1P00702N [0,1,0,0,1,0|2,0,0]=4 2427 B10R1.13 FC(c1ccc(cc1)I)F 1P01C1LJ [0,1,0,0,1,0|2,0,0]=4 2428 B10R1.13 FC(c1ccc(cc1)N)F 1P01BJQU [0,1,0,0,1,0|2,0,0]=4 2429 B10R1.13 FC(c1ccc(cc1)S)F 1P027TXT [0,1,0,0,1,0|2,0,0]=4 2430 B10R1.13 Fc1ccc(cc1)C(F)F 1P00C3CH [0,1,0,0,1,0|2,0,0]=4 2431 B10R1.13 Fc1ccc(cc1)S(=O)C 1P00FD2V [0,1,0,0,1,0|2,0,0]=4 2432 B10R1.13 Fc1ccc(cn1)C(Br)C 1P01BYAE [0,1,0,0,1,0|2,0,0]=4 2433 B10R1.13 Fc1ccc(cn1)C(C)C 1P00JXFK [0,1,0,0,1,0|2,0,0]=4 2434 B10R1.13 Fc1ccc(cn1)C(N)C 1P01BSXW [0,1,0,0,1,0|1,0,0]=3 2435 B10R1.13 Fc1ccc(cn1)C(O)C 1P0096DG [0,1,0,0,1,0|2,0,0]=4 2436 B10R1.13 Fc1ccc(nc1)C(N)C 1P01B583 [0,1,0,0,1,0|1,0,0]=3 2437 B10R1.13 Fc1ccc(nc1)C(O)C 1P01BAHP [0,1,0,0,1,0|2,0,0]=4 2438 B10R1.13 Fc1ccc(nc1)[C@@H](N)C 1P00H1GE [0,1,0,0,1,0|1,0,0]=3 2439 B10R1.13 Fc1ccc(nc1)[C@@H](N)C 1P00HG9L [0,1,0,0,1,0|1,0,0]=3 2440 B10R1.13 Fc1ccc(nc1)[C@@H](O)C 1P01C38P [0,1,0,0,1,0|2,0,0]=4 2441 B10R1.13 Fc1ccc(nc1)[C@H](N)C 1P00HFRM [0,1,0,0,1,0|1,0,0]=3 2442 B10R1.13 Fc1ccc(nc1)[C@H](N)C 1P01C38A [0,1,0,0,1,0|1,0,0]=3 2443 B10R1.13 Fc1ccc(nc1)[C@H](O)C 1P01C38M [0,1,0,0,1,0|2,0,0]=4 2444 B10R1.13 NC(=N)c1ccc(cc1)Br 1P0034ES [0,1,0,0,1,0|1,0,1]=4 2445 B10R1.13 NC(=N)c1ccc(cc1)Br 1P006ZLZ [0,1,0,0,1,0|1,0,1]=4 2446 B10R1.13 NC(=N)c1ccc(cc1)C 1P00IBNC [0,1,0,0,1,0|1,0,1]=4 2447 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P001J9E [0,1,0,0,1,0|1,0,1]=4 2448 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P00AP7K [0,1,0,0,1,0|1,0,1]=4 2449 B10R1.13 NC(=N)c1ccc(cc1)F 1P002NJF [0,1,0,0,1,0|1,0,1]=4 2450 B10R1.13 NC(=N)c1ccc(cc1)F 1P00I8ZO [0,1,0,0,1,0|1,0,1]=4 2451 B10R1.13 NC(=N)c1ccc(cc1)I 1P009GFR [0,1,0,0,1,0|1,0,1]=4 2452 B10R1.13 NC(=N)c1ccc(cc1)O 1P0034IQ [0,1,0,0,1,0|1,0,1]=4 2453 B10R1.13 NC(=O)c1ccc(cc1)Br 1P00FARZ [0,1,0,0,1,0|1,0,1]=4 2454 B10R1.13 NC(=O)c1ccc(cc1)C 1P003UHI [0,1,0,0,1,0|1,0,1]=4 2455 B10R1.13 NC(=O)c1ccc(cc1)Cl 1P00IBEI [0,1,0,0,1,0|1,0,1]=4 2456 B10R1.13 NC(=O)c1ccc(cc1)F 1P003LVJ [0,1,0,0,1,0|1,0,1]=4 2457 B10R1.13 NC(=O)c1ccc(cc1)I 1P003M19 [0,1,0,0,1,0|1,0,1]=4 2458 B10R1.13 NC(=O)c1ccc(cc1)O 1P0018KP [0,1,0,0,1,0|1,0,1]=4 2459 B10R1.13 NC(=O)c1ccc(cc1)O 1P003LZM [0,1,0,0,1,0|1,0,1]=4 2460 B10R1.13 NC(=O)c1ccc(cc1)S 1P01DWZC [0,1,0,0,1,0|1,0,1]=4 2461 B10R1.13 NC(=S)c1ccc(cc1)Br 1P002SP4 [0,1,0,0,1,0|1,0,1]=4 2462 B10R1.13 NC(=S)c1ccc(cc1)C 1P002OEQ [0,1,0,0,1,0|1,0,1]=4 2463 B10R1.13 NC(=S)c1ccc(cc1)Cl 1P002REP [0,1,0,0,1,0|1,0,1]=4 2464 B10R1.13 NC(=S)c1ccc(cc1)F 1P00709Q [0,1,0,0,1,0|1,0,1]=4 2465 B10R1.13 NC(=S)c1ccc(cc1)O 1P003M0N [0,1,0,0,1,0|1,0,1]=4 2466 B10R1.13 Nc1ccc(cc1)C(=N)N 1P002QJF [0,1,0,0,1,0|1,0,1]=4 2467 B10R1.13 Nc1ccc(cc1)C(=N)N 1P005T2T [0,1,0,0,1,0|1,0,1]=4 2468 B10R1.13 Nc1ccc(cc1)C(=O)N 1P003L7G [0,1,0,0,1,0|1,0,1]=4 2469 B10R1.13 Nc1ccc(cc1)C(=S)N 1P003L8W [0,1,0,0,1,0|1,0,1]=4 2470 B10R1.13 Nc1ccc(cc1)C(N)C 1P00GVQT [0,1,0,0,1,0|0,0,0]=2 2471 B10R1.13 Nc1ccc(cc1)S(=O)C 1P00BI2O [0,1,0,0,1,0|2,0,0]=4 2472 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00BH2Y [0,1,0,0,1,0|0,0,0]=2 2473 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00FEPL [0,1,0,0,1,0|0,0,0]=2 2474 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P000WVW [0,1,0,0,1,0|0,0,0]=2 2475 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P00FCWH [0,1,0,0,1,0|0,0,0]=2 2476 B10R1.13 Nc1ccc(cn1)C(C)C 1P00EDI5 [0,1,0,0,1,0|2,0,0]=4 2477 B10R1.13 Nc1ccc(nc1)C(C)C 1P0037ZE [0,1,0,0,1,0|2,0,0]=4 2478 B10R1.13 Nc1ccc(nc1)C(C)C 1P01JV67 [0,1,0,0,1,0|2,0,0]=4 2479 B10R1.13 Oc1ccc(cc1)C(O)C 1P00BCJG [0,1,0,0,1,0|1,0,0]=3 2480 B10R1.13 Oc1ccc(cc1)[C@@H](O)C 1P01AV7H [0,1,0,0,1,0|1,0,0]=3 2481 B10R1.13 Oc1ccc(cc1)[C@H](O)C 1P01AV7P [0,1,0,0,1,0|1,0,0]=3 2482 B10R1.13 Oc1ccc(cc1)[S+](C)C 1P003M0G [0,1,0,0,1,0|2,0,0]=4 2483 B10R1.13 Oc1ccc(cn1)C(N)C 1P02882C [0,1,0,0,1,0|1,0,0]=3 2484 B10R1.13 Oc1ccc(cn1)[C@@H](N)C 1P028N38 [0,1,0,0,1,0|1,0,0]=3 2485 B10R1.13 Oc1ccc(cn1)[C@H](N)C 1P028LCQ [0,1,0,0,1,0|1,0,0]=3 2486 B10R1.28 CC(c1ccccc1)(Br)C 1P01EMEJ [0,1,0,0,1,0|1,0,0]=3 2487 B10R1.28 CC(c1ccccc1)(C)C 1P003V27 [0,1,0,0,1,0|1,0,0]=3 2488 B10R1.28 CC(c1ccccc1)(Cl)C 1P00GTI7 [0,1,0,0,1,0|1,0,0]=3 2489 B10R1.28 CC(c1ccccc1)(N)C 1P0036GZ [0,1,0,0,1,0|0,0,0]=2 2490 B10R1.28 CC(c1ccccc1)(O)C 1P003IBQ [0,1,0,0,1,0|1,0,0]=3 2491 B10R1.28 CC(c1ccccc1)(S)C 1P001UF2 [0,1,0,0,1,0|1,0,0]=3 2492 B10R1.28 CC(c1ccccn1)(F)F 1P009UZR [0,1,0,0,1,0|2,0,0]=4 2493 B10R1.28 CC(c1ccccn1)(N)C 1P000OR0 [0,1,0,0,1,0|1,0,0]=3 2494 B10R1.28 CC(c1ccccn1)(N)C 1P00DBUP [0,1,0,0,1,0|1,0,0]=3 2495 B10R1.28 CC(c1ccccn1)(O)C 1P00C80J [0,1,0,0,1,0|2,0,0]=4 2496 B10R1.28 CC(c1cccnc1)(C)C 1P00D3UF [0,1,0,0,1,0|2,0,0]=4 2497 B10R1.28 CC(c1cccnc1)(N)C 1P003FB2 [0,1,0,0,1,0|1,0,0]=3 2498 B10R1.28 CC(c1cccnc1)(O)C 1P001MYP [0,1,0,0,1,0|2,0,0]=4 2499 B10R1.28 CC(c1ccncc1)(C)C 1P0034M5 [0,1,0,0,1,0|2,0,0]=4 2500 B10R1.28 CC(c1ccncc1)(N)C 1P003FE7 [0,1,0,0,1,0|1,0,0]=3 2501 B10R1.28 CC(c1ccncc1)(O)C 1P001MYO [0,1,0,0,1,0|2,0,0]=4 2502 B10R1.28 CC(c1ncccn1)(N)C 1P01AV4K [0,1,0,0,1,0|2,0,0]=4 2503 B10R1.28 CC(c1ncccn1)(N)C 1P01JVF1 [0,1,0,0,1,0|2,0,0]=4 2504 B10R1.28 CP(=O)(c1ccccc1)C 1P01PGUE [0,1,0,0,1,0|2,0,0]=4 2505 B10R1.28 CP(=O)(c1ccccc1)Cl 1P003SKW [0,1,0,0,1,0|2,0,0]=4 2506 B10R1.28 CP(c1ccccc1)([B+3])C 1P00CI08 [0,1,0,0,1,0|2,0,0]=4 2507 B10R1.28 CS(=O)(=N)c1ccccc1 1P00E023 [0,1,0,0,1,0|1,0,1]=4 2508 B10R1.28 CS(=O)(=O)c1ccccc1 1P0032MP [0,1,0,0,1,0|2,0,0]=4 2509 B10R1.28 C[N+](c1ccccc1)(C)C 1P0018A2 [0,1,0,0,1,0|2,0,0]=4 2510 B10R1.28 C[N+](c1ccccc1)(C)C 1P001SIH [0,1,0,0,1,0|2,0,0]=4 2511 B10R1.28 C[N+](c1ccccc1)(C)C 1P003U7B [0,1,0,0,1,0|2,0,0]=4 2512 B10R1.28 C[N+](c1ccccc1)(C)C 1P003VKU [0,1,0,0,1,0|2,0,0]=4 2513 B10R1.28 C[S@@](=O)(=N)c1ccccc1 1P003CYS [0,1,0,0,1,0|1,0,1]=4 2514 B10R1.28 C[Si](c1ccccc1)(C)C 1P003VK8 [0,1,0,0,1,0|1,1,0]=4 2515 B10R1.28 C[Si](c1ccccc1)(Cl)C 1P003PAA [0,1,0,0,1,0|1,1,0]=4 2516 B10R1.28 C[Si](c1ccccc1)(O)C 1P003Q46 [0,1,0,0,1,0|1,1,0]=4 2517 B10R1.28 FC(c1ccccc1)(Br)Br 1P01C0YZ [0,1,0,0,1,0|2,0,0]=4 2518 B10R1.28 FC(c1ccccc1)(Br)F 1P0050UM [0,1,0,0,1,0|2,0,0]=4 2519 B10R1.28 FC(c1ccccc1)(Cl)F 1P00C915 [0,1,0,0,1,0|2,0,0]=4 2520 B10R1.28 FC(c1ccccc1)(F)F 1P00IKGR [0,1,0,0,1,0|2,0,0]=4 2521 B10R1.28 NP(=O)(c1ccccc1)N 1P00DT3N [0,1,0,0,1,0|2,0,0]=4 2522 B10R1.28 NS(=O)(=O)c1ccccc1 1P0034YD [0,1,0,0,1,0|2,0,0]=4 2523 B10R1.28 O=S(C1=CC=CC=C1)(N)=N 1P01K4LQ [0,1,0,0,1,0|2,0,0]=4 2524 B10R1.28 [O-][Si](c1ccccc1)(C)C 1P003Q47 [0,1,0,0,1,0|1,1,0]=4 2525 B10R1.61 BrC(c1ccccc1F)Br 1P01FO1J [0,1,0,0,1,0|2,0,0]=4 2526 B10R1.61 CC(=C)c1ccccc1Br 1P005H4B [0,1,0,0,1,0|1,0,1]=4 2527 B10R1.61 CC(=C)c1ccccc1F 1P01ACS1 [0,1,0,0,1,0|1,0,1]=4 2528 B10R1.61 CC(=C)c1ccccc1I 1P01GLJL [0,1,0,0,1,0|1,0,1]=4 2529 B10R1.61 CC(=C)c1ccccc1N 1P00DF51 [0,1,0,0,1,0|1,0,1]=4 2530 B10R1.61 CC(=O)c1ccccc1Br 1P00I4LL [0,1,0,0,1,0|1,0,1]=4 2531 B10R1.61 CC(=O)c1ccccc1C 1P003I51 [0,1,0,0,1,0|1,0,1]=4 2532 B10R1.61 CC(=O)c1ccccc1Cl 1P0033J6 [0,1,0,0,1,0|1,0,1]=4 2533 B10R1.61 CC(=O)c1ccccc1F 1P003GQQ [0,1,0,0,1,0|1,0,1]=4 2534 B10R1.61 CC(=O)c1ccccc1I 1P0033TR [0,1,0,0,1,0|1,0,1]=4 2535 B10R1.61 CC(=O)c1ccccc1N 1P0033KO [0,1,0,0,1,0|1,0,1]=4 2536 B10R1.61 CC(=O)c1ccccc1N 1P003GQI [0,1,0,0,1,0|1,0,1]=4 2537 B10R1.61 CC(=O)c1ccccc1O 1P0033TC [0,1,0,0,1,0|1,0,1]=4 2538 B10R1.61 CC(=O)c1ccccc1S 1P00BFT3 [0,1,0,0,1,0|1,0,1]=4 2539 B10R1.61 CC(c1ccc[nH]c1=O)N 1P01XCEB [0,1,0,0,1,0|1,0,0]=3 2540 B10R1.61 CC(c1ccccc1Br)Br 1P019XVS [0,1,0,0,1,0|1,0,0]=3 2541 B10R1.61 CC(c1ccccc1Br)C 1P003EJ7 [0,1,0,0,1,0|1,0,0]=3 2542 B10R1.61 CC(c1ccccc1Br)Cl 1P01DKNF [0,1,0,0,1,0|1,0,0]=3 2543 B10R1.61 CC(c1ccccc1Br)N 1P000AHK [0,1,0,0,1,0|0,0,0]=2 2544 B10R1.61 CC(c1ccccc1Br)N 1P0092T3 [0,1,0,0,1,0|0,0,0]=2 2545 B10R1.61 CC(c1ccccc1Br)O 1P003DA9 [0,1,0,0,1,0|1,0,0]=3 2546 B10R1.61 CC(c1ccccc1C)Br 1P01A1EI [0,1,0,0,1,0|1,0,0]=3 2547 B10R1.61 CC(c1ccccc1C)N 1P003DBW [0,1,0,0,1,0|0,0,0]=2 2548 B10R1.61 CC(c1ccccc1C)N 1P003DBX [0,1,0,0,1,0|0,0,0]=2 2549 B10R1.61 CC(c1ccccc1C)O 1P003DBY [0,1,0,0,1,0|1,0,0]=3 2550 B10R1.61 CC(c1ccccc1Cl)Br 1P019WZ5 [0,1,0,0,1,0|1,0,0]=3 2551 B10R1.61 CC(c1ccccc1Cl)Cl 1P003ENU [0,1,0,0,1,0|1,0,0]=3 2552 B10R1.61 CC(c1ccccc1Cl)N 1P003DAL [0,1,0,0,1,0|0,0,0]=2 2553 B10R1.61 CC(c1ccccc1Cl)N 1P004TXJ [0,1,0,0,1,0|0,0,0]=2 2554 B10R1.61 CC(c1ccccc1Cl)O 1P003DAM [0,1,0,0,1,0|1,0,0]=3 2555 B10R1.61 CC(c1ccccc1Cl)S 1P019Y2B [0,1,0,0,1,0|1,0,0]=3 2556 B10R1.61 CC(c1ccccc1F)Br 1P00CMDW [0,1,0,0,1,0|1,0,0]=3 2557 B10R1.61 CC(c1ccccc1F)C 1P0028LT [0,1,0,0,1,0|1,0,0]=3 2558 B10R1.61 CC(c1ccccc1F)Cl 1P00JZKB [0,1,0,0,1,0|1,0,0]=3 2559 B10R1.61 CC(c1ccccc1F)N 1P0059PI [0,1,0,0,1,0|0,0,0]=2 2560 B10R1.61 CC(c1ccccc1F)O 1P003DB1 [0,1,0,0,1,0|1,0,0]=3 2561 B10R1.61 CC(c1ccccc1F)S 1P01A8HI [0,1,0,0,1,0|1,0,0]=3 2562 B10R1.61 CC(c1ccccc1I)C 1P002FFC [0,1,0,0,1,0|1,0,0]=3 2563 B10R1.61 CC(c1ccccc1N)C 1P003HYD [0,1,0,0,1,0|1,0,0]=3 2564 B10R1.61 CC(c1ccccc1N)N 1P01A3PI [0,1,0,0,1,0|0,0,0]=2 2565 B10R1.61 CC(c1ccccc1N)O 1P003D9Y [0,1,0,0,1,0|1,0,0]=3 2566 B10R1.61 CC(c1ccccc1O)C 1P0047XW [0,1,0,0,1,0|1,0,0]=3 2567 B10R1.61 CC(c1ccccc1O)N 1P00H1GO [0,1,0,0,1,0|0,0,0]=2 2568 B10R1.61 CC(c1ccccc1O)O 1P01DL38 [0,1,0,0,1,0|1,0,0]=3 2569 B10R1.61 CC(c1ccccc1S)C 1P003HYE [0,1,0,0,1,0|1,0,0]=3 2570 B10R1.61 CC(c1cccnc1Br)Br 1P01BQIP [0,1,0,0,1,0|2,0,0]=4 2571 B10R1.61 CC(c1cccnc1Br)C 1P01FPCO [0,1,0,0,1,0|2,0,0]=4 2572 B10R1.61 CC(c1cccnc1C)N 1P00H2TM [0,1,0,0,1,0|1,0,0]=3 2573 B10R1.61 CC(c1cccnc1C)N 1P028K8Y [0,1,0,0,1,0|1,0,0]=3 2574 B10R1.61 CC(c1cccnc1C)O 1P01B7I5 [0,1,0,0,1,0|2,0,0]=4 2575 B10R1.61 CC(c1cccnc1Cl)O 1P00100N [0,1,0,0,1,0|2,0,0]=4 2576 B10R1.61 CC(c1cccnc1F)N 1P01UNGB [0,1,0,0,1,0|1,0,0]=3 2577 B10R1.61 CC(c1cccnc1F)O 1P00GB0N [0,1,0,0,1,0|2,0,0]=4 2578 B10R1.61 CC(c1cccnc1N)C 1P00ILHF [0,1,0,0,1,0|2,0,0]=4 2579 B10R1.61 CC(c1cccnc1N)N 1P0174Q9 [0,1,0,0,1,0|1,0,0]=3 2580 B10R1.61 CC(c1cccnc1N)N 1P027TVU [0,1,0,0,1,0|1,0,0]=3 2581 B10R1.61 CC(c1ccncc1Br)C 1P006BCM [0,1,0,0,1,0|2,0,0]=4 2582 B10R1.61 CC(c1ccncc1C)N 1P02858U [0,1,0,0,1,0|1,0,0]=3 2583 B10R1.61 CC(c1ccncc1Cl)O 1P024HLR [0,1,0,0,1,0|2,0,0]=4 2584 B10R1.61 CC(c1ccncc1F)O 1P00IF6M [0,1,0,0,1,0|2,0,0]=4 2585 B10R1.61 CC(c1ccncc1N)C 1P024VOC [0,1,0,0,1,0|2,0,0]=4 2586 B10R1.61 CC(c1cnccc1C)N 1P01A4NT [0,1,0,0,1,0|1,0,0]=3 2587 B10R1.61 CC(c1cnccc1C)O 1P009SOU [0,1,0,0,1,0|2,0,0]=4 2588 B10R1.61 CC(c1cnccc1N)C 1P00IGI9 [0,1,0,0,1,0|2,0,0]=4 2589 B10R1.61 CC(c1cnccc1O)C 1P01DZ0R [0,1,0,0,1,0|2,0,0]=4 2590 B10R1.61 CC(c1cnccc1O)N 1P028OZO [0,1,0,0,1,0|1,0,0]=3 2591 B10R1.61 CC(c1ncccc1Br)C 1P01K17I [0,1,0,0,1,0|2,0,0]=4 2592 B10R1.61 CC(c1ncccc1Br)N 1P01JV6R [0,1,0,0,1,0|1,0,0]=3 2593 B10R1.61 CC(c1ncccc1C)N 1P008O6T [0,1,0,0,1,0|1,0,0]=3 2594 B10R1.61 CC(c1ncccc1C)N 1P01DE8D [0,1,0,0,1,0|1,0,0]=3 2595 B10R1.61 CC(c1ncccc1C)O 1P00IDDS [0,1,0,0,1,0|2,0,0]=4 2596 B10R1.61 CC(c1ncccc1Cl)N 1P028JLT [0,1,0,0,1,0|1,0,0]=3 2597 B10R1.61 CC(c1ncccc1F)N 1P009YRQ [0,1,0,0,1,0|1,0,0]=3 2598 B10R1.61 CC(c1ncccc1F)N 1P01C2U2 [0,1,0,0,1,0|1,0,0]=3 2599 B10R1.61 CC(c1ncccc1F)O 1P003DDM [0,1,0,0,1,0|2,0,0]=4 2600 B10R1.61 CC(c1ncccc1N)C 1P01BICZ [0,1,0,0,1,0|2,0,0]=4 2601 B10R1.61 CC(c1ncccc1O)C 1P002HLD [0,1,0,0,1,0|2,0,0]=4 2602 B10R1.61 CC(c1nccnc1C)N 1P01BSMC [0,1,0,0,1,0|2,0,0]=4 2603 B10R1.61 CC(c1nccnc1Cl)N 1P02235G [0,1,0,0,1,0|2,0,0]=4 2604 B10R1.61 CN(c1ccccc1Br)C 1P00FB2Q [0,1,0,0,1,0|2,0,0]=4 2605 B10R1.61 CN(c1ccccc1C)C 1P0035RI [0,1,0,0,1,0|2,0,0]=4 2606 B10R1.61 CN(c1ccccc1F)C 1P00C7MB [0,1,0,0,1,0|2,0,0]=4 2607 B10R1.61 CN(c1ccccc1I)C 1P01A1PS [0,1,0,0,1,0|2,0,0]=4 2608 B10R1.61 CN(c1ccccc1N)C 1P00BGJW [0,1,0,0,1,0|2,0,0]=4 2609 B10R1.61 CN(c1ccccc1O)C 1P003AK2 [0,1,0,0,1,0|2,0,0]=4 2610 B10R1.61 CN(c1ccccc1O)C 1P01K0CF [0,1,0,0,1,0|2,0,0]=4 2611 B10R1.61 CS(=O)c1ccccc1Br 1P00ICU5 [0,1,0,0,1,0|2,0,0]=4 2612 B10R1.61 CS(=O)c1ccccc1N 1P019WQG [0,1,0,0,1,0|2,0,0]=4 2613 B10R1.61 CS(=O)c1ccccc1O 1P008565 [0,1,0,0,1,0|2,0,0]=4 2614 B10R1.61 C[C@@H](c1ccccc1Br)N 1P001D2B [0,1,0,0,1,0|0,0,0]=2 2615 B10R1.61 C[C@@H](c1ccccc1Br)N 1P008ZLH [0,1,0,0,1,0|0,0,0]=2 2616 B10R1.61 C[C@@H](c1ccccc1Br)O 1P000EVE [0,1,0,0,1,0|1,0,0]=3 2617 B10R1.61 C[C@@H](c1ccccc1C)N 1P0014ZZ [0,1,0,0,1,0|0,0,0]=2 2618 B10R1.61 C[C@@H](c1ccccc1C)N 1P00G60I [0,1,0,0,1,0|0,0,0]=2 2619 B10R1.61 C[C@@H](c1ccccc1C)O 1P00DA1B [0,1,0,0,1,0|1,0,0]=3 2620 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P005LCN [0,1,0,0,1,0|0,0,0]=2 2621 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P009ZP2 [0,1,0,0,1,0|0,0,0]=2 2622 B10R1.61 C[C@@H](c1ccccc1Cl)O 1P0010AH [0,1,0,0,1,0|1,0,0]=3 2623 B10R1.61 C[C@@H](c1ccccc1F)N 1P001501 [0,1,0,0,1,0|0,0,0]=2 2624 B10R1.61 C[C@@H](c1ccccc1F)N 1P006CBN [0,1,0,0,1,0|0,0,0]=2 2625 B10R1.61 C[C@@H](c1ccccc1F)O 1P007UPU [0,1,0,0,1,0|1,0,0]=3 2626 B10R1.61 C[C@@H](c1ccccc1O)N 1P007NTC [0,1,0,0,1,0|0,0,0]=2 2627 B10R1.61 C[C@@H](c1ccccc1O)N 1P024HV8 [0,1,0,0,1,0|0,0,0]=2 2628 B10R1.61 C[C@@H](c1cccnc1C)N 1P028OLA [0,1,0,0,1,0|1,0,0]=3 2629 B10R1.61 C[C@@H](c1cccnc1F)N 1P028EX4 [0,1,0,0,1,0|1,0,0]=3 2630 B10R1.61 C[C@@H](c1cccnc1F)O 1P0288J7 [0,1,0,0,1,0|2,0,0]=4 2631 B10R1.61 C[C@@H](c1ccncc1Cl)N 1P02841H [0,1,0,0,1,0|1,0,0]=3 2632 B10R1.61 C[C@@H](c1ccncc1Cl)O 1P028Z6D [0,1,0,0,1,0|2,0,0]=4 2633 B10R1.61 C[C@@H](c1ccncc1F)N 1P028KRS [0,1,0,0,1,0|1,0,0]=3 2634 B10R1.61 C[C@@H](c1cnccc1Cl)O 1P024ZGG [0,1,0,0,1,0|2,0,0]=4 2635 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01C38K [0,1,0,0,1,0|2,0,0]=4 2636 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01XBYD [0,1,0,0,1,0|2,0,0]=4 2637 B10R1.61 C[C@@H](c1ncccc1Cl)N 1P01R1ZY [0,1,0,0,1,0|1,0,0]=3 2638 B10R1.61 C[C@@H](c1ncccc1F)N 1P01BGT9 [0,1,0,0,1,0|1,0,0]=3 2639 B10R1.61 C[C@@H](c1ncccc1F)O 1P01BGYU [0,1,0,0,1,0|2,0,0]=4 2640 B10R1.61 C[C@@H](c1nccnc1C)N 1P01FJTG [0,1,0,0,1,0|2,0,0]=4 2641 B10R1.61 C[C@H](c1ccccc1Br)N 1P000AOU [0,1,0,0,1,0|0,0,0]=2 2642 B10R1.61 C[C@H](c1ccccc1Br)N 1P0092RK [0,1,0,0,1,0|0,0,0]=2 2643 B10R1.61 C[C@H](c1ccccc1Br)O 1P0058C2 [0,1,0,0,1,0|1,0,0]=3 2644 B10R1.61 C[C@H](c1ccccc1C)N 1P008HMX [0,1,0,0,1,0|0,0,0]=2 2645 B10R1.61 C[C@H](c1ccccc1C)N 1P008Y12 [0,1,0,0,1,0|0,0,0]=2 2646 B10R1.61 C[C@H](c1ccccc1C)O 1P00CLM3 [0,1,0,0,1,0|1,0,0]=3 2647 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000DMI [0,1,0,0,1,0|0,0,0]=2 2648 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000XTH [0,1,0,0,1,0|0,0,0]=2 2649 B10R1.61 C[C@H](c1ccccc1Cl)O 1P003CNI [0,1,0,0,1,0|1,0,0]=3 2650 B10R1.61 C[C@H](c1ccccc1F)N 1P000DPW [0,1,0,0,1,0|0,0,0]=2 2651 B10R1.61 C[C@H](c1ccccc1F)N 1P007790 [0,1,0,0,1,0|0,0,0]=2 2652 B10R1.61 C[C@H](c1ccccc1F)O 1P00HZ87 [0,1,0,0,1,0|1,0,0]=3 2653 B10R1.61 C[C@H](c1ccccc1O)N 1P000LS1 [0,1,0,0,1,0|0,0,0]=2 2654 B10R1.61 C[C@H](c1ccccc1O)N 1P01BTZ7 [0,1,0,0,1,0|0,0,0]=2 2655 B10R1.61 C[C@H](c1ccccc1O)O 1P023PVI [0,1,0,0,1,0|1,0,0]=3 2656 B10R1.61 C[C@H](c1cccnc1F)N 1P028EHU [0,1,0,0,1,0|1,0,0]=3 2657 B10R1.61 C[C@H](c1cccnc1F)O 1P024V0A [0,1,0,0,1,0|2,0,0]=4 2658 B10R1.61 C[C@H](c1ccncc1Br)O 1P01BUCK [0,1,0,0,1,0|2,0,0]=4 2659 B10R1.61 C[C@H](c1ccncc1Cl)N 1P0285GE [0,1,0,0,1,0|1,0,0]=3 2660 B10R1.61 C[C@H](c1ccncc1Cl)O 1P028ZSS [0,1,0,0,1,0|2,0,0]=4 2661 B10R1.61 C[C@H](c1cnccc1Cl)O 1P028JWR [0,1,0,0,1,0|2,0,0]=4 2662 B10R1.61 C[C@H](c1cncnc1C)N 1P01BE0I [0,1,0,0,1,0|2,0,0]=4 2663 B10R1.61 C[C@H](c1ncccc1Br)O 1P01C38Q [0,1,0,0,1,0|2,0,0]=4 2664 B10R1.61 C[C@H](c1ncccc1C)N 1P01JV4F [0,1,0,0,1,0|1,0,0]=3 2665 B10R1.61 C[C@H](c1ncccc1C)N 1P01KL6O [0,1,0,0,1,0|1,0,0]=3 2666 B10R1.61 C[C@H](c1ncccc1F)N 1P01BH0Y [0,1,0,0,1,0|1,0,0]=3 2667 B10R1.61 C[C@H](c1ncccc1F)O 1P01BH00 [0,1,0,0,1,0|2,0,0]=4 2668 B10R1.61 C[C@H](c1nccnc1C)N 1P01FJTH [0,1,0,0,1,0|2,0,0]=4 2669 B10R1.61 ClC(c1ccccc1Cl)Cl 1P0048YG [0,1,0,0,1,0|2,0,0]=4 2670 B10R1.61 FC(c1ccccc1Br)F 1P004RGC [0,1,0,0,1,0|2,0,0]=4 2671 B10R1.61 FC(c1ccccc1F)F 1P003HM5 [0,1,0,0,1,0|2,0,0]=4 2672 B10R1.61 FC(c1ccccc1I)F 1P01DYZ2 [0,1,0,0,1,0|2,0,0]=4 2673 B10R1.61 FC(c1ccccc1N)F 1P001IHD [0,1,0,0,1,0|2,0,0]=4 2674 B10R1.61 FC(c1ccccc1N)F 1P005Q2L [0,1,0,0,1,0|2,0,0]=4 2675 B10R1.61 NC(=N)c1ccccc1Br 1P00EGII [0,1,0,0,1,0|1,0,1]=4 2676 B10R1.61 NC(=N)c1ccccc1C 1P003I59 [0,1,0,0,1,0|1,0,1]=4 2677 B10R1.61 NC(=N)c1ccccc1Cl 1P003HI9 [0,1,0,0,1,0|1,0,1]=4 2678 B10R1.61 NC(=N)c1ccccc1Cl 1P00D8UO [0,1,0,0,1,0|1,0,1]=4 2679 B10R1.61 NC(=N)c1ccccc1F 1P00E9F1 [0,1,0,0,1,0|1,0,1]=4 2680 B10R1.61 NC(=N)c1ccccc1F 1P00FGXY [0,1,0,0,1,0|1,0,1]=4 2681 B10R1.61 NC(=N)c1ccccc1F 1P01C65V [0,1,0,0,1,0|1,0,1]=4 2682 B10R1.61 NC(=N)c1ccccc1F 1P02841W [0,1,0,0,1,0|1,0,1]=4 2683 B10R1.61 NC(=N)c1ccccc1O 1P00DK4F [0,1,0,0,1,0|1,0,1]=4 2684 B10R1.61 NC(=O)c1ccccc1Br 1P00BXYL [0,1,0,0,1,0|1,0,1]=4 2685 B10R1.61 NC(=O)c1ccccc1C 1P003I57 [0,1,0,0,1,0|1,0,1]=4 2686 B10R1.61 NC(=O)c1ccccc1Cl 1P003HI8 [0,1,0,0,1,0|1,0,1]=4 2687 B10R1.61 NC(=O)c1ccccc1F 1P003HS3 [0,1,0,0,1,0|1,0,1]=4 2688 B10R1.61 NC(=O)c1ccccc1I 1P00C7AR [0,1,0,0,1,0|1,0,1]=4 2689 B10R1.61 NC(=O)c1ccccc1N 1P003GZT [0,1,0,0,1,0|1,0,1]=4 2690 B10R1.61 NC(=O)c1ccccc1O 1P003UNA [0,1,0,0,1,0|1,0,1]=4 2691 B10R1.61 NC(=O)c1ccccc1S 1P01AHBV [0,1,0,0,1,0|1,0,1]=4 2692 B10R1.61 NC(=S)c1ccccc1Br 1P003H9S [0,1,0,0,1,0|1,0,1]=4 2693 B10R1.61 NC(=S)c1ccccc1C 1P00D8TE [0,1,0,0,1,0|1,0,1]=4 2694 B10R1.61 NC(=S)c1ccccc1Cl 1P001PQE [0,1,0,0,1,0|1,0,1]=4 2695 B10R1.61 NC(=S)c1ccccc1F 1P005TSU [0,1,0,0,1,0|1,0,1]=4 2696 B10R1.61 NC(=S)c1ccccc1N 1P002OYJ [0,1,0,0,1,0|1,0,1]=4 2697 B10R1.61 NC(=S)c1ccccc1O 1P005VU3 [0,1,0,0,1,0|1,0,1]=4 2698 B10R1.61 NC(=S)c1ccccc1S 1P0286LO [0,1,0,0,1,0|1,0,1]=4 2699 B10R1.113 Brc1cccc(c1)C(=C)C 1P01DFHU [0,1,0,0,1,0|1,0,1]=4 2700 B10R1.113 Brc1cccc(c1)C(=N)N 1P002SCY [0,1,0,0,1,0|1,0,1]=4 2701 B10R1.113 Brc1cccc(c1)C(=N)N 1P00385V [0,1,0,0,1,0|1,0,1]=4 2702 B10R1.113 Brc1cccc(c1)C(=O)C 1P00343B [0,1,0,0,1,0|1,0,1]=4 2703 B10R1.113 Brc1cccc(c1)C(=O)N 1P003JKP [0,1,0,0,1,0|1,0,1]=4 2704 B10R1.113 Brc1cccc(c1)C(=S)N 1P003JM0 [0,1,0,0,1,0|1,0,1]=4 2705 B10R1.113 Brc1cccc(c1)C(Br)C 1P00ELOM [0,1,0,0,1,0|1,0,0]=3 2706 B10R1.113 Brc1cccc(c1)C(C)C 1P00343H [0,1,0,0,1,0|1,0,0]=3 2707 B10R1.113 Brc1cccc(c1)C(Cl)C 1P002CJP [0,1,0,0,1,0|1,0,0]=3 2708 B10R1.113 Brc1cccc(c1)C(F)C 1P01BWJ9 [0,1,0,0,1,0|1,0,0]=3 2709 B10R1.113 Brc1cccc(c1)C(F)F 1P0037VN [0,1,0,0,1,0|2,0,0]=4 2710 B10R1.113 Brc1cccc(c1)C(N)C 1P003DD5 [0,1,0,0,1,0|0,0,0]=2 2711 B10R1.113 Brc1cccc(c1)C(N)C 1P00GUE1 [0,1,0,0,1,0|0,0,0]=2 2712 B10R1.113 Brc1cccc(c1)C(O)C 1P003DD6 [0,1,0,0,1,0|1,0,0]=3 2713 B10R1.113 Brc1cccc(c1)C(S)C 1P01ALX8 [0,1,0,0,1,0|1,0,0]=3 2714 B10R1.113 Brc1cccc(c1)N(C)C 1P001VRB [0,1,0,0,1,0|2,0,0]=4 2715 B10R1.113 Brc1cccc(c1)P(C)C 1P027Z7K [0,1,0,0,1,0|2,0,0]=4 2716 B10R1.113 Brc1cccc(c1)S(=O)C 1P00I61D [0,1,0,0,1,0|2,0,0]=4 2717 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P001B71 [0,1,0,0,1,0|0,0,0]=2 2718 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P01DUN8 [0,1,0,0,1,0|0,0,0]=2 2719 B10R1.113 Brc1cccc(c1)[C@@H](O)C 1P009B9B [0,1,0,0,1,0|1,0,0]=3 2720 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P0025AP [0,1,0,0,1,0|0,0,0]=2 2721 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P00HE7L [0,1,0,0,1,0|0,0,0]=2 2722 B10R1.113 Brc1cccc(c1)[C@H](O)C 1P00HTTB [0,1,0,0,1,0|1,0,0]=3 2723 B10R1.113 Brc1cccc(n1)C(C)C 1P003H7M [0,1,0,0,1,0|2,0,0]=4 2724 B10R1.113 Brc1cccc(n1)C(N)C 1P01JNW8 [0,1,0,0,1,0|1,0,0]=3 2725 B10R1.113 Brc1cccc(n1)C(N)C 1P024FZ4 [0,1,0,0,1,0|1,0,0]=3 2726 B10R1.113 Brc1cccc(n1)C(O)C 1P009E7E [0,1,0,0,1,0|2,0,0]=4 2727 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P01DE5H [0,1,0,0,1,0|1,0,0]=3 2728 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P01DE9J [0,1,0,0,1,0|1,0,0]=3 2729 B10R1.113 Brc1cccc(n1)[C@@H](N)C 1P024G22 [0,1,0,0,1,0|1,0,0]=3 2730 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P01DE5Y [0,1,0,0,1,0|1,0,0]=3 2731 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P01DTX8 [0,1,0,0,1,0|1,0,0]=3 2732 B10R1.113 Brc1cccc(n1)[C@H](N)C 1P024G24 [0,1,0,0,1,0|1,0,0]=3 2733 B10R1.113 Brc1cccc(n1)[C@H](O)C 1P009JQ2 [0,1,0,0,1,0|2,0,0]=4 2734 B10R1.113 Brc1cncc(c1)C(Br)C 1P01FIOB [0,1,0,0,1,0|2,0,0]=4 2735 B10R1.113 Brc1nccc(c1)C(C)C 1P00JYII [0,1,0,0,1,0|2,0,0]=4 2736 B10R1.113 Brc1nccc(c1)C(N)C 1P01KMFA [0,1,0,0,1,0|1,0,0]=3 2737 B10R1.113 Brc1nccc(c1)[C@@H](N)C 1P024FY4 [0,1,0,0,1,0|1,0,0]=3 2738 B10R1.113 Brc1nccc(c1)[C@H](N)C 1P00HVU8 [0,1,0,0,1,0|1,0,0]=3 2739 B10R1.113 CC(c1cc(Br)ccn1)O 1P001F34 [0,1,0,0,1,0|2,0,0]=4 2740 B10R1.113 CC(c1cc(Br)cnc1)O 1P00BHS0 [0,1,0,0,1,0|2,0,0]=4 2741 B10R1.113 CC(c1cc(Cl)ccn1)O 1P01FTR6 [0,1,0,0,1,0|2,0,0]=4 2742 B10R1.113 CC(c1cc(Cl)cnc1)Br 1P0249DK [0,1,0,0,1,0|2,0,0]=4 2743 B10R1.113 CC(c1cc(F)cnc1)N 1P01A6ET [0,1,0,0,1,0|1,0,0]=3 2744 B10R1.113 CC(c1cc(F)cnc1)O 1P009JKY [0,1,0,0,1,0|2,0,0]=4 2745 B10R1.113 CC(c1cncc(c1)Br)C 1P00951Z [0,1,0,0,1,0|2,0,0]=4 2746 B10R1.113 CC(c1cncc(c1)F)N 1P01A5GB [0,1,0,0,1,0|1,0,0]=3 2747 B10R1.113 CC(c1cncc(c1)N)C 1P000OWY [0,1,0,0,1,0|2,0,0]=4 2748 B10R1.113 CC(c1cncc(c1)O)C 1P01BWSZ [0,1,0,0,1,0|2,0,0]=4 2749 B10R1.113 CC(c1nccc(=O)[nH]1)N 1P0285N6 [0,1,0,0,1,0|2,0,0]=4 2750 B10R1.113 CC(c1nccc(c1)Br)C 1P01DMZ4 [0,1,0,0,1,0|2,0,0]=4 2751 B10R1.113 CC(c1nccc(c1)Br)N 1P02882Z [0,1,0,0,1,0|1,0,0]=3 2752 B10R1.113 CC(c1nccc(c1)Br)N 1P0293JV [0,1,0,0,1,0|1,0,0]=3 2753 B10R1.113 CC(c1nccc(c1)Cl)C 1P006T0C [0,1,0,0,1,0|2,0,0]=4 2754 B10R1.113 CC(c1nccc(c1)I)C 1P0283NU [0,1,0,0,1,0|2,0,0]=4 2755 B10R1.113 CC(c1nccc(c1)N)C 1P00D5AD [0,1,0,0,1,0|2,0,0]=4 2756 B10R1.113 CC(c1nccc(c1)N)C 1P028Z30 [0,1,0,0,1,0|2,0,0]=4 2757 B10R1.113 CC(c1nccc(c1)O)C 1P02919O [0,1,0,0,1,0|2,0,0]=4 2758 B10R1.113 CC1=NC=CC(=C1)C(C)N 1P01FWUO [0,1,0,0,1,0|1,0,0]=3 2759 B10R1.113 C[C@@H](c1cc(Br)cnc1)O 1P028FL5 [0,1,0,0,1,0|2,0,0]=4 2760 B10R1.113 C[C@@H](c1cc(F)ccn1)O 1P028NPD [0,1,0,0,1,0|2,0,0]=4 2761 B10R1.113 C[C@@H](c1cc(F)cnc1)N 1P00I40E [0,1,0,0,1,0|1,0,0]=3 2762 B10R1.113 C[C@@H](c1cc(F)cnc1)N 1P01C30I [0,1,0,0,1,0|1,0,0]=3 2763 B10R1.113 C[C@@H](c1cncc(c1)Cl)N 1P024FYP [0,1,0,0,1,0|1,0,0]=3 2764 B10R1.113 C[C@H](c1cc(Br)cnc1)N 1P01JV49 [0,1,0,0,1,0|1,0,0]=3 2765 B10R1.113 C[C@H](c1cc(Br)cnc1)O 1P028H8P [0,1,0,0,1,0|2,0,0]=4 2766 B10R1.113 C[C@H](c1cc(Cl)cnc1)N 1P01OHTY [0,1,0,0,1,0|1,0,0]=3 2767 B10R1.113 C[C@H](c1cc(F)ccn1)O 1P0288JJ [0,1,0,0,1,0|2,0,0]=4 2768 B10R1.113 C[C@H](c1cncc(c1)Br)N 1P01KLBA [0,1,0,0,1,0|1,0,0]=3 2769 B10R1.113 C[C@H](c1cncc(c1)F)N 1P01C2VE [0,1,0,0,1,0|1,0,0]=3 2770 B10R1.113 Cc1cccc(c1)C(=C)C 1P003RUW [0,1,0,0,1,0|1,0,1]=4 2771 B10R1.113 Cc1cccc(c1)C(=N)N 1P002J5B [0,1,0,0,1,0|1,0,1]=4 2772 B10R1.113 Cc1cccc(c1)C(=N)N 1P0075JC [0,1,0,0,1,0|1,0,1]=4 2773 B10R1.113 Cc1cccc(c1)C(=O)C 1P00IAUW [0,1,0,0,1,0|1,0,1]=4 2774 B10R1.113 Cc1cccc(c1)C(=O)N 1P003K78 [0,1,0,0,1,0|1,0,1]=4 2775 B10R1.113 Cc1cccc(c1)C(=S)N 1P002OEP [0,1,0,0,1,0|1,0,1]=4 2776 B10R1.113 Cc1cccc(c1)C(Br)C 1P004E6B [0,1,0,0,1,0|1,0,0]=3 2777 B10R1.113 Cc1cccc(c1)C(C)C 1P003RXB [0,1,0,0,1,0|1,0,0]=3 2778 B10R1.113 Cc1cccc(c1)C(Cl)C 1P002CJO [0,1,0,0,1,0|1,0,0]=3 2779 B10R1.113 Cc1cccc(c1)C(N)C 1P00372B [0,1,0,0,1,0|0,0,0]=2 2780 B10R1.113 Cc1cccc(c1)C(N)C 1P00GATB [0,1,0,0,1,0|0,0,0]=2 2781 B10R1.113 Cc1cccc(c1)C(O)C 1P00FJ2F [0,1,0,0,1,0|1,0,0]=3 2782 B10R1.113 Cc1cccc(c1)N(C)C 1P003T22 [0,1,0,0,1,0|2,0,0]=4 2783 B10R1.113 Cc1cccc(c1)N(N)C 1P003EXI [0,1,0,0,1,0|1,0,0]=3 2784 B10R1.113 Cc1cccc(c1)S(=O)C 1P000ZR8 [0,1,0,0,1,0|2,0,0]=4 2785 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P0019NW [0,1,0,0,1,0|0,0,0]=2 2786 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P00J3RI [0,1,0,0,1,0|0,0,0]=2 2787 B10R1.113 Cc1cccc(c1)[C@@H](O)C 1P00DKFI [0,1,0,0,1,0|1,0,0]=3 2788 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P000DMK [0,1,0,0,1,0|0,0,0]=2 2789 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P0019NV [0,1,0,0,1,0|0,0,0]=2 2790 B10R1.113 Cc1cccc(c1)[C@H](O)C 1P00CLM5 [0,1,0,0,1,0|1,0,0]=3 2791 B10R1.113 Cc1cccc(n1)C(N)C 1P0092TC [0,1,0,0,1,0|1,0,0]=3 2792 B10R1.113 Cc1cccc(n1)C(N)C 1P00IASS [0,1,0,0,1,0|1,0,0]=3 2793 B10R1.113 Cc1cccc(n1)[C@@H](N)C 1P01A3P2 [0,1,0,0,1,0|1,0,0]=3 2794 B10R1.113 Cc1cccc(n1)[C@H](N)C 1P01A27S [0,1,0,0,1,0|1,0,0]=3 2795 B10R1.113 Cc1cccc(n1)[C@H](O)C 1P00FGLE [0,1,0,0,1,0|2,0,0]=4 2796 B10R1.113 Cc1ccnc(c1)C(C)C 1P0281YR [0,1,0,0,1,0|2,0,0]=4 2797 B10R1.113 Cc1ccnc(c1)C(N)C 1P0092TB [0,1,0,0,1,0|1,0,0]=3 2798 B10R1.113 Cc1ccnc(c1)C(N)C 1P00EA7G [0,1,0,0,1,0|1,0,0]=3 2799 B10R1.113 Cc1ccnc(n1)C(N)C 1P01C2Y9 [0,1,0,0,1,0|2,0,0]=4 2800 B10R1.113 Cc1cncc(c1)C(C)C 1P01XDSD [0,1,0,0,1,0|2,0,0]=4 2801 B10R1.113 Cc1cncc(c1)C(N)C 1P01ANWN [0,1,0,0,1,0|1,0,0]=3 2802 B10R1.113 Cc1nccc(c1)C(C)C 1P0281QQ [0,1,0,0,1,0|2,0,0]=4 2803 B10R1.113 Cc1nccc(c1)C(N)C 1P0096SP [0,1,0,0,1,0|1,0,0]=3 2804 B10R1.113 Cc1nccc(c1)[C@@H](O)C 1P0288JA [0,1,0,0,1,0|2,0,0]=4 2805 B10R1.113 Cc1nccc(c1)[C@H](O)C 1P028FDW [0,1,0,0,1,0|2,0,0]=4 2806 B10R1.113 Cc1nccc(n1)C(N)C 1P01BD20 [0,1,0,0,1,0|2,0,0]=4 2807 B10R1.113 Clc1cccc(c1)C(=C)C 1P00ATR4 [0,1,0,0,1,0|1,0,1]=4 2808 B10R1.113 Clc1cccc(c1)C(=N)N 1P003A6F [0,1,0,0,1,0|1,0,1]=4 2809 B10R1.113 Clc1cccc(c1)C(=O)N 1P00E9KT [0,1,0,0,1,0|1,0,1]=4 2810 B10R1.113 Clc1cccc(c1)C(=S)N 1P003JSG [0,1,0,0,1,0|1,0,1]=4 2811 B10R1.113 Clc1cccc(c1)C(Br)C 1P019X11 [0,1,0,0,1,0|1,0,0]=3 2812 B10R1.113 Clc1cccc(c1)C(Cl)C 1P01A1E4 [0,1,0,0,1,0|1,0,0]=3 2813 B10R1.113 Clc1cccc(c1)C(N)C 1P00C2DU [0,1,0,0,1,0|0,0,0]=2 2814 B10R1.113 Clc1cccc(c1)C(N)C 1P00CMAZ [0,1,0,0,1,0|0,0,0]=2 2815 B10R1.113 Clc1cccc(c1)C(O)C 1P003DDG [0,1,0,0,1,0|1,0,0]=3 2816 B10R1.113 Clc1cccc(c1)N(C)C 1P003JRK [0,1,0,0,1,0|2,0,0]=4 2817 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P003CZE [0,1,0,0,1,0|0,0,0]=2 2818 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P009ZW7 [0,1,0,0,1,0|0,0,0]=2 2819 B10R1.113 Clc1cccc(c1)[C@@H](O)C 1P009BSV [0,1,0,0,1,0|1,0,0]=3 2820 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P003CNL [0,1,0,0,1,0|0,0,0]=2 2821 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P00955Y [0,1,0,0,1,0|0,0,0]=2 2822 B10R1.113 Clc1cccc(c1)[C@H](O)C 1P000QTO [0,1,0,0,1,0|1,0,0]=3 2823 B10R1.113 Clc1cccc(n1)C(C)C 1P000QUY [0,1,0,0,1,0|2,0,0]=4 2824 B10R1.113 Clc1cccc(n1)C(N)C 1P0096NX [0,1,0,0,1,0|1,0,0]=3 2825 B10R1.113 Clc1cccc(n1)C(N)C 1P024HPM [0,1,0,0,1,0|1,0,0]=3 2826 B10R1.113 Clc1cccc(n1)[C@H](N)C 1P024HI0 [0,1,0,0,1,0|1,0,0]=3 2827 B10R1.113 Clc1nccc(c1)C(N)C 1P0096N4 [0,1,0,0,1,0|1,0,0]=3 2828 B10R1.113 Clc1nccc(c1)C(N)C 1P01KKJH [0,1,0,0,1,0|1,0,0]=3 2829 B10R1.113 Clc1nccc(c1)C(O)C 1P01BGTO [0,1,0,0,1,0|2,0,0]=4 2830 B10R1.113 Clc1nccc(c1)[C@@H](N)C 1P00II8U [0,1,0,0,1,0|1,0,0]=3 2831 B10R1.113 Clc1nccc(c1)[C@@H](N)C 1P01KL95 [0,1,0,0,1,0|1,0,0]=3 2832 B10R1.113 Clc1nccc(c1)[C@H](N)C 1P023I0F [0,1,0,0,1,0|1,0,0]=3 2833 B10R1.113 Clc1nccc(c1)[C@H](N)C 1P024FW3 [0,1,0,0,1,0|1,0,0]=3 2834 B10R1.113 Fc1cccc(c1)C(=C)C 1P01AC8N [0,1,0,0,1,0|1,0,1]=4 2835 B10R1.113 Fc1cccc(c1)C(=N)N 1P00FB1F [0,1,0,0,1,0|1,0,1]=4 2836 B10R1.113 Fc1cccc(c1)C(=N)N 1P00ID2X [0,1,0,0,1,0|1,0,1]=4 2837 B10R1.113 Fc1cccc(c1)C(=O)C 1P003JXP [0,1,0,0,1,0|1,0,1]=4 2838 B10R1.113 Fc1cccc(c1)C(=O)N 1P00DES0 [0,1,0,0,1,0|1,0,1]=4 2839 B10R1.113 Fc1cccc(c1)C(=S)N 1P00FB1I [0,1,0,0,1,0|1,0,1]=4 2840 B10R1.113 Fc1cccc(c1)C(Br)C 1P018SP2 [0,1,0,0,1,0|1,0,0]=3 2841 B10R1.113 Fc1cccc(c1)C(Cl)C 1P01AAJR [0,1,0,0,1,0|1,0,0]=3 2842 B10R1.113 Fc1cccc(c1)C(F)F 1P002RVM [0,1,0,0,1,0|2,0,0]=4 2843 B10R1.113 Fc1cccc(c1)C(N)C 1P005HQ7 [0,1,0,0,1,0|0,0,0]=2 2844 B10R1.113 Fc1cccc(c1)C(N)C 1P01EII3 [0,1,0,0,1,0|0,0,0]=2 2845 B10R1.113 Fc1cccc(c1)C(O)C 1P003DDQ [0,1,0,0,1,0|1,0,0]=3 2846 B10R1.113 Fc1cccc(c1)N(C)C 1P002LEE [0,1,0,0,1,0|2,0,0]=4 2847 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P007HTX [0,1,0,0,1,0|0,0,0]=2 2848 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P00DA1C [0,1,0,0,1,0|0,0,0]=2 2849 B10R1.113 Fc1cccc(c1)[C@@H](O)C 1P000TCI [0,1,0,0,1,0|1,0,0]=3 2850 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P007HTW [0,1,0,0,1,0|0,0,0]=2 2851 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P008OXD [0,1,0,0,1,0|0,0,0]=2 2852 B10R1.113 Fc1cccc(c1)[C@H](O)C 1P000TDQ [0,1,0,0,1,0|1,0,0]=3 2853 B10R1.113 Fc1cccc(n1)C(N)C 1P01JX3O [0,1,0,0,1,0|1,0,0]=3 2854 B10R1.113 Fc1cccc(n1)C(O)C 1P01BYDW [0,1,0,0,1,0|2,0,0]=4 2855 B10R1.113 Fc1cccc(n1)[C@@H](N)C 1P01FPD5 [0,1,0,0,1,0|1,0,0]=3 2856 B10R1.113 Fc1cccc(n1)[C@H](N)C 1P01DDCR [0,1,0,0,1,0|1,0,0]=3 2857 B10R1.113 Fc1nccc(c1)[C@H](N)C 1P0201B8 [0,1,0,0,1,0|1,0,0]=3 2858 B10R1.113 Ic1cccc(c1)C(=O)C 1P001K5K [0,1,0,0,1,0|1,0,1]=4 2859 B10R1.113 Ic1cccc(c1)C(=O)N 1P0085PW [0,1,0,0,1,0|1,0,1]=4 2860 B10R1.113 Ic1cccc(c1)C(=S)N 1P007C9W [0,1,0,0,1,0|1,0,1]=4 2861 B10R1.113 Ic1cccc(c1)C(Br)C 1P028E3J [0,1,0,0,1,0|1,0,0]=3 2862 B10R1.113 Ic1cccc(c1)C(C)C 1P002FFB [0,1,0,0,1,0|1,0,0]=3 2863 B10R1.113 Ic1cccc(c1)C(F)F 1P00HGO3 [0,1,0,0,1,0|2,0,0]=4 2864 B10R1.113 Ic1cccc(c1)C(O)C 1P024HK1 [0,1,0,0,1,0|1,0,0]=3 2865 B10R1.113 Ic1cccc(c1)N(C)C 1P01HH2U [0,1,0,0,1,0|2,0,0]=4 2866 B10R1.113 Nc1cccc(c1)C(=C)C 1P01CAQU [0,1,0,0,1,0|1,0,1]=4 2867 B10R1.113 Nc1cccc(c1)C(=N)N 1P003JDV [0,1,0,0,1,0|1,0,1]=4 2868 B10R1.113 Nc1cccc(c1)C(=O)C 1P003JDU [0,1,0,0,1,0|1,0,1]=4 2869 B10R1.113 Nc1cccc(c1)C(=O)N 1P0037SS [0,1,0,0,1,0|1,0,1]=4 2870 B10R1.113 Nc1cccc(c1)C(=S)N 1P005DAW [0,1,0,0,1,0|1,0,1]=4 2871 B10R1.113 Nc1cccc(c1)C(C)C 1P003JE5 [0,1,0,0,1,0|1,0,0]=3 2872 B10R1.113 Nc1cccc(c1)C(F)C 1P028JPG [0,1,0,0,1,0|1,0,0]=3 2873 B10R1.113 Nc1cccc(c1)C(F)F 1P001SVF [0,1,0,0,1,0|2,0,0]=4 2874 B10R1.113 Nc1cccc(c1)C(F)F 1P00CA9I [0,1,0,0,1,0|2,0,0]=4 2875 B10R1.113 Nc1cccc(c1)C(N)C 1P000U2U [0,1,0,0,1,0|0,0,0]=2 2876 B10R1.113 Nc1cccc(c1)C(O)C 1P002OXT [0,1,0,0,1,0|1,0,0]=3 2877 B10R1.113 Nc1cccc(c1)N(C)C 1P003T21 [0,1,0,0,1,0|2,0,0]=4 2878 B10R1.113 Nc1cccc(c1)N(C)C 1P00BFYZ [0,1,0,0,1,0|2,0,0]=4 2879 B10R1.113 Nc1cccc(c1)S(=O)C 1P019WQF [0,1,0,0,1,0|2,0,0]=4 2880 B10R1.113 Nc1cccc(c1)S(=O)C 1P01APKC [0,1,0,0,1,0|2,0,0]=4 2881 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P003CZD [0,1,0,0,1,0|0,0,0]=2 2882 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P01DE99 [0,1,0,0,1,0|0,0,0]=2 2883 B10R1.113 Nc1cccc(c1)[C@@H](O)C 1P01DZPI [0,1,0,0,1,0|1,0,0]=3 2884 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P0090GW [0,1,0,0,1,0|0,0,0]=2 2885 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P01TBU1 [0,1,0,0,1,0|0,0,0]=2 2886 B10R1.113 Nc1cccc(c1)[C@H](O)C 1P01EMV6 [0,1,0,0,1,0|1,0,0]=3 2887 B10R1.113 Nc1cccc(n1)C(C)C 1P003GZ8 [0,1,0,0,1,0|2,0,0]=4 2888 B10R1.113 Nc1cccc(n1)C(O)C 1P027VPM [0,1,0,0,1,0|2,0,0]=4 2889 B10R1.113 Nc1cccc(n1)[C@H](N)C 1P01XDCG [0,1,0,0,1,0|1,0,0]=3 2890 B10R1.113 Nc1ccnc(n1)C(N)C 1P01AUYO [0,1,0,0,1,0|2,0,0]=4 2891 B10R1.113 Nc1nccc(c1)C(C)C 1P00B8Q5 [0,1,0,0,1,0|2,0,0]=4 2892 B10R1.113 Oc1cccc(c1)C(=N)N 1P00EEVR [0,1,0,0,1,0|1,0,1]=4 2893 B10R1.113 Oc1cccc(c1)C(=O)C 1P003K0U [0,1,0,0,1,0|1,0,1]=4 2894 B10R1.113 Oc1cccc(c1)C(=O)N 1P0037IV [0,1,0,0,1,0|1,0,1]=4 2895 B10R1.113 Oc1cccc(c1)C(=S)N 1P007YNT [0,1,0,0,1,0|1,0,1]=4 2896 B10R1.113 Oc1cccc(c1)C(C)C 1P003478 [0,1,0,0,1,0|1,0,0]=3 2897 B10R1.113 Oc1cccc(c1)C(F)F 1P00CURJ [0,1,0,0,1,0|2,0,0]=4 2898 B10R1.113 Oc1cccc(c1)C(N)C 1P00ECSX [0,1,0,0,1,0|0,0,0]=2 2899 B10R1.113 Oc1cccc(c1)C(N)C 1P019V4B [0,1,0,0,1,0|0,0,0]=2 2900 B10R1.113 Oc1cccc(c1)C(O)C 1P003DDU [0,1,0,0,1,0|1,0,0]=3 2901 B10R1.113 Oc1cccc(c1)N(C)C 1P0037BJ [0,1,0,0,1,0|2,0,0]=4 2902 B10R1.113 Oc1cccc(c1)S(=O)C 1P001NIU [0,1,0,0,1,0|2,0,0]=4 2903 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P000LS2 [0,1,0,0,1,0|0,0,0]=2 2904 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P024G1P [0,1,0,0,1,0|0,0,0]=2 2905 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00DG5L [0,1,0,0,1,0|0,0,0]=2 2906 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00G7LK [0,1,0,0,1,0|0,0,0]=2 2907 B10R1.113 Oc1cccc(c1)[C@H](O)C 1P00EL2Y [0,1,0,0,1,0|1,0,0]=3 2908 B10R1.113 Oc1nccc(c1)C(N)C 1P01BBD5 [0,1,0,0,1,0|1,0,0]=3 2909 B10R1.113 Sc1cccc(c1)C(=O)C 1P01AK0X [0,1,0,0,1,0|1,0,1]=4 2910 B10R1.113 Sc1cccc(c1)C(=O)N 1P00EIKO [0,1,0,0,1,0|1,0,1]=4 2911 B10R1.113 Sc1cccc(c1)N(C)C 1P00C8NI [0,1,0,0,1,0|2,0,0]=4 2912 B10R1.23 CC(C(c1cccs1)N)C 1P00D9Y8 [0,1,0,0,1,0|2,0,0]=4 2913 B10R1.23 CC(C(n1cccn1)C)N 1P01ABZR [0,1,0,0,1,0|2,0,0]=4 2914 B10R1.27 CC(NC)Cc1cncs1 1P028BD4 [0,1,0,0,1,0|2,0,0]=4 2915 B10R1.27 CCC(Cc1c[nH]cc1)N 1P027Z2R [0,1,0,0,1,0|1,0,0]=3 2916 B10R1.27 CCC(Cc1cccs1)Cl 1P01BYDP [0,1,0,0,1,0|2,0,0]=4 2917 B10R1.27 CCC(Cn1cncc1)N 1P00J1RI [0,1,0,0,1,0|2,0,0]=4 2918 B10R1.27 CNC(Cc1c[nH]nc1)C 1P0281AS [0,1,0,0,1,0|2,0,0]=4 2919 B10R1.27 CNC(Cc1cscc1)C 1P019U95 [0,1,0,0,1,0|1,0,0]=3 2920 B10R1.27 NCC(Cc1c[nH]nc1)C 1P028BRP [0,1,0,0,1,0|2,0,0]=4 2921 B10R1.27 NCC(Cc1cccs1)C 1P019Q9M [0,1,0,0,1,0|1,0,0]=3 2922 B10R1.27 NCC(Cn1cccn1)C 1P00JFBL [0,1,0,0,1,0|2,0,0]=4 2923 B10R1.27 NCC(Cn1cncc1)C 1P019VK7 [0,1,0,0,1,0|2,0,0]=4 2924 B10R1.27 OCC(Cc1ccco1)N 1P028BPO [0,1,0,0,1,0|1,0,0]=3 2925 B10R1.27 OCC(Cc1cccs1)N 1P01EMU8 [0,1,0,0,1,0|1,0,0]=3 2926 B10R1.27 OCC(Cc1cocc1)N 1P0288V3 [0,1,0,0,1,0|1,0,0]=3 2927 B10R1.27 OCC(Cc1cscc1)O 1P028YU6 [0,1,0,0,1,0|2,0,0]=4 2928 B10R1.27 OCC(Cc1nccs1)N 1P01EMWK [0,1,0,0,1,0|2,0,0]=4 2929 B10R1.27 OCC(Cc1scnc1)N 1P01BRZS [0,1,0,0,1,0|2,0,0]=4 2930 B10R1.27 OCC(Cn1cccc1)O 1P01C5QQ [0,1,0,0,1,0|2,0,0]=4 2931 B10R1.27 OC[C@H](Cc1nc[nH]c1)N 1P001ROW [0,1,0,0,1,0|2,0,0]=4 2932 B10R1.54 CC(Cc1ccc(s1)Br)C 1P01C7XX [0,1,0,0,1,0|2,0,0]=4 2933 B10R1.54 CC(Cc1ccc(s1)C)N 1P01AKCX [0,1,0,0,1,0|1,0,0]=3 2934 B10R1.54 CC(Cc1ccc(s1)Cl)N 1P01E17F [0,1,0,0,1,0|1,0,0]=3 2935 B10R1.54 CC(Cc1ccc(s1)Cl)O 1P01A36V [0,1,0,0,1,0|2,0,0]=4 2936 B10R1.54 CC(Cc1n[nH]c(c1)C)N 1P008SDW [0,1,0,0,1,0|2,0,0]=4 2937 B10R1.54 CC(Cc1ncn(c1)C)N 1P02835L [0,1,0,0,1,0|2,0,0]=4 2938 B10R1.54 CC(Cc1onc(c1)C)N 1P00945D [0,1,0,0,1,0|2,0,0]=4 2939 B10R1.54 CC(Cn1ccc(n1)C)N 1P00J71Q [0,1,0,0,1,0|2,0,0]=4 2940 B10R1.54 CC(Cn1ncc(c1)C)N 1P008SG3 [0,1,0,0,1,0|2,0,0]=4 2941 B10R1.64 CC(Cc1cccn1C)N 1P01C0S6 [0,1,0,0,1,0|1,0,0]=3 2942 B10R1.64 CC(Cc1ccnn1C)N 1P00HVJC [0,1,0,0,1,0|2,0,0]=4 2943 B10R1.64 CC(Cc1cncn1C)N 1P020LME [0,1,0,0,1,0|2,0,0]=4 2944 B10R1.64 CC(Cc1nccn1C)N 1P01DXAR [0,1,0,0,1,0|2,0,0]=4 2945 B10R1.64 C[C@@H](Cc1ccnn1C)N 1P028GDL [0,1,0,0,1,0|2,0,0]=4 2946 B10R1.64 C[C@H](Cc1ccnn1C)N 1P027ZBB [0,1,0,0,1,0|2,0,0]=4 2947 B10R1.281 CC(Cc1ccc[nH]1)(N)C 1P02908Q [0,1,0,0,1,0|1,0,0]=3 2948 B10R1.281 CC(Cc1cocc1)(O)C 1P01ALT9 [0,1,0,0,1,0|2,0,0]=4 2949 B12R1.21 CC(=C)CNc1ccc(cc1)Cl 1P01A46F [0,1,0,0,0,1|1,0,1]=4 2950 B12R1.21 CC(=C)COc1ccc(cc1)Br 1P01B1YY [0,1,0,0,0,1|1,0,1]=4 2951 B12R1.21 CC(=C)COc1ccc(cc1)N 1P00GU9R [0,1,0,0,0,1|1,0,1]=4 2952 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [0,1,0,0,0,1|1,0,1]=4 2953 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1P00C99Q [0,1,0,0,0,1|1,0,1]=4 2954 B12R1.21 CC(=O)CCc1ccc(cc1)F 1P00VSVS [0,1,0,0,0,1|1,0,1]=4 2955 B12R1.21 CC(=O)CCc1ccc(cc1)I 1P01BGX7 [0,1,0,0,0,1|1,0,1]=4 2956 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [0,1,0,0,0,1|1,0,1]=4 2957 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [0,1,0,0,0,1|1,0,1]=4 2958 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [0,1,0,0,0,1|1,0,1]=4 2959 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1P003CC2 [0,1,0,0,0,1|1,0,1]=4 2960 B12R1.21 CC(=O)CSc1ccc(cc1)F 1P002ZJR [0,1,0,0,0,1|1,0,1]=4 2961 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1P00H519 [0,1,0,0,0,1|1,0,1]=4 2962 B12R1.21 CC(=O)NCc1ccc(cc1)F 1P004QJ2 [0,1,0,0,0,1|1,0,1]=4 2963 B12R1.21 CC(=O)NCc1ccc(cc1)N 1P01AIH0 [0,1,0,0,0,1|1,0,1]=4 2964 B12R1.21 CC(=O)OCc1ccc(cc1)C 1P003M83 [0,1,0,0,0,1|1,0,1]=4 2965 B12R1.21 CC(=O)OCc1ccc(cc1)Cl 1P003LNI [0,1,0,0,0,1|1,0,1]=4 2966 B12R1.21 CC(CCc1ccc(cc1)Br)N 1P00HA0R [0,1,0,0,0,1|0,0,0]=2 2967 B12R1.21 CC(CCc1ccc(cc1)C)N 1P019RJH [0,1,0,0,0,1|0,0,0]=2 2968 B12R1.21 CC(CCc1ccc(cc1)I)N 1P01BHI1 [0,1,0,0,0,1|0,0,0]=2 2969 B12R1.21 CC(CCc1ccc(cc1)N)C 1P01A84O [0,1,0,0,0,1|1,0,0]=3 2970 B12R1.21 CC(CCc1ccc(cc1)O)N 1P019KP1 [0,1,0,0,0,1|0,0,0]=2 2971 B12R1.21 CC(CCc1ccc(cc1)O)O 1P00FDS3 [0,1,0,0,0,1|1,0,0]=3 2972 B12R1.21 CC(CCc1ccc(nc1)N)C 1P01C23S [0,1,0,0,0,1|2,0,0]=4 2973 B12R1.21 CC(CNc1ccc(cc1)Br)C 1P00ANYC [0,1,0,0,0,1|1,0,0]=3 2974 B12R1.21 CC(CNc1ccc(cc1)C)C 1P01AYKZ [0,1,0,0,0,1|1,0,0]=3 2975 B12R1.21 CC(CNc1ccc(cc1)C)C 1P01C40G [0,1,0,0,0,1|1,0,0]=3 2976 B12R1.21 CC(CNc1ccc(cc1)Cl)C 1P01A0MJ [0,1,0,0,0,1|1,0,0]=3 2977 B12R1.21 CC(CNc1ccc(cc1)F)C 1P00J61V [0,1,0,0,0,1|1,0,0]=3 2978 B12R1.21 CC(CNc1ccc(cn1)C)C 1P004B63 [0,1,0,0,0,1|2,0,0]=4 2979 B12R1.21 CC(CNc1ccc(cn1)F)C 1P01C5SF [0,1,0,0,0,1|2,0,0]=4 2980 B12R1.21 CC(COc1ccc(cc1)Br)C 1P0031MO [0,1,0,0,0,1|1,0,0]=3 2981 B12R1.21 CC(COc1ccc(cc1)C)N 1P00EEKI [0,1,0,0,0,1|0,0,0]=2 2982 B12R1.21 CC(COc1ccc(cc1)C)O 1P003DH6 [0,1,0,0,0,1|1,0,0]=3 2983 B12R1.21 CC(COc1ccc(cc1)Cl)N 1P00C4ZY [0,1,0,0,0,1|0,0,0]=2 2984 B12R1.21 CC(COc1ccc(cc1)Cl)N 1P00CCM0 [0,1,0,0,0,1|0,0,0]=2 2985 B12R1.21 CC(COc1ccc(cc1)F)N 1P009A6F [0,1,0,0,0,1|0,0,0]=2 2986 B12R1.21 CC(COc1ccc(cc1)F)N 1P019WZK [0,1,0,0,0,1|0,0,0]=2 2987 B12R1.21 CC(COc1ccc(cc1)N)C 1P00DBCF [0,1,0,0,0,1|1,0,0]=3 2988 B12R1.21 CC(COc1ccc(cc1)N)O 1P028H9H [0,1,0,0,0,1|1,0,0]=3 2989 B12R1.21 CC(COc1ccc(cc1)O)C 1P00IAGW [0,1,0,0,0,1|1,0,0]=3 2990 B12R1.21 CC(COc1ccc(cn1)N)C 1P01AJJX [0,1,0,0,0,1|2,0,0]=4 2991 B12R1.21 CC(CSc1ccc(cc1)C)N 1P01ADAL [0,1,0,0,0,1|0,0,0]=2 2992 B12R1.21 CC(NCc1ccc(cc1)Br)C 1P00ECIY [0,1,0,0,0,1|1,0,0]=3 2993 B12R1.21 CC(NCc1ccc(cc1)C)C 1P005QRD [0,1,0,0,0,1|1,0,0]=3 2994 B12R1.21 CC(NCc1ccc(cc1)Cl)C 1P00C9BN [0,1,0,0,0,1|1,0,0]=3 2995 B12R1.21 CC(NCc1ccc(cc1)Cl)C 1P00J23B [0,1,0,0,0,1|1,0,0]=3 2996 B12R1.21 CC(NCc1ccc(cc1)F)C 1P0013NS [0,1,0,0,0,1|1,0,0]=3 2997 B12R1.21 CC(NCc1ccc(cc1)F)C 1P00J3Z2 [0,1,0,0,0,1|1,0,0]=3 2998 B12R1.21 CC(NCc1ccc(cc1)N)C 1P003TLB [0,1,0,0,0,1|1,0,0]=3 2999 B12R1.21 CC(OCc1ccc(cc1)Br)C 1P0068SS [0,1,0,0,0,1|1,0,0]=3 3000 B12R1.21 CC(OCc1ccc(cc1)N)C 1P019XSE [0,1,0,0,0,1|1,0,0]=3 3001 B12R1.21 CC(OCc1ccc(nc1)N)C 1P028L8O [0,1,0,0,0,1|2,0,0]=4 3002 B12R1.21 CC(SCc1ccc(cc1)Br)C 1P01AAMF [0,1,0,0,0,1|1,0,0]=3 3003 B12R1.21 CN(CCc1ccc(cc1)Br)C 1P01C48K [0,1,0,0,0,1|2,0,0]=4 3004 B12R1.21 CN(CCc1ccc(cc1)N)C 1P0037IS [0,1,0,0,0,1|2,0,0]=4 3005 B12R1.21 CN(CCc1ccc(cc1)O)C 1P00DEP7 [0,1,0,0,0,1|2,0,0]=4 3006 B12R1.21 CN(CCc1ccc(cc1)O)C 1P00EBQI [0,1,0,0,0,1|2,0,0]=4 3007 B12R1.21 C[C@H](CCc1ccc(cc1)O)O 1P00DFZV [0,1,0,0,0,1|1,0,0]=3 3008 B12R1.21 FC(CNc1ccc(cc1)C)F 1P00JGHX [0,1,0,0,0,1|2,0,0]=4 3009 B12R1.21 FC(CNc1ccc(cc1)F)F 1P01BG1D [0,1,0,0,0,1|2,0,0]=4 3010 B12R1.21 FC(COc1ccc(cc1)Br)F 1P00H7RP [0,1,0,0,0,1|2,0,0]=4 3011 B12R1.21 FC(COc1ccc(cc1)I)F 1P00KNN1 [0,1,0,0,0,1|2,0,0]=4 3012 B12R1.21 FC(CSc1ccc(cc1)N)F 1P028NUP [0,1,0,0,0,1|2,0,0]=4 3013 B12R1.21 FC(OCc1ccc(cc1)Br)F 1P027XIP [0,1,0,0,0,1|2,0,0]=4 3014 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P004D2Q [0,1,0,0,0,1|1,0,1]=4 3015 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P01EM24 [0,1,0,0,0,1|1,0,1]=4 3016 B12R1.21 NC(=N)COc1ccc(cc1)Br 1P00J1V8 [0,1,0,0,0,1|1,0,1]=4 3017 B12R1.21 NC(=N)NCc1ccc(cc1)N 1P01FM75 [0,1,0,0,0,1|1,0,1]=4 3018 B12R1.21 NC(=N)SCc1ccc(cc1)Cl 1P003UMR [0,1,0,0,0,1|1,0,1]=4 3019 B12R1.21 NC(=NCc1ccc(cc1)Cl)N 1P01BAFY [0,1,0,0,0,1|1,0,1]=4 3020 B12R1.21 NC(=O)CCc1ccc(cc1)Br 1P01EWZG [0,1,0,0,0,1|1,0,1]=4 3021 B12R1.21 NC(=O)CCc1ccc(cc1)F 1P00BLKP [0,1,0,0,0,1|1,0,1]=4 3022 B12R1.21 NC(=O)CCc1ccc(cc1)N 1P01AAT8 [0,1,0,0,0,1|1,0,1]=4 3023 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [0,1,0,0,0,1|1,0,1]=4 3024 B12R1.21 NC(=O)CNc1ccc(cc1)Br 1P027YGG [0,1,0,0,0,1|1,0,1]=4 3025 B12R1.21 NC(=O)CNc1ccc(cc1)F 1P004Y17 [0,1,0,0,0,1|1,0,1]=4 3026 B12R1.21 NC(=O)COc1ccc(cc1)Br 1P00C8XG [0,1,0,0,0,1|1,0,1]=4 3027 B12R1.21 NC(=O)COc1ccc(cc1)Cl 1P00CRWF [0,1,0,0,0,1|1,0,1]=4 3028 B12R1.21 NC(=O)COc1ccc(cc1)N 1P00EAVN [0,1,0,0,0,1|1,0,1]=4 3029 B12R1.21 NC(=O)COc1ccc(cc1)O 1P01AKK7 [0,1,0,0,0,1|1,0,1]=4 3030 B12R1.21 NC(=O)NCc1ccc(cc1)C 1P00DD2R [0,1,0,0,0,1|1,0,1]=4 3031 B12R1.21 NC(=O)NCc1ccc(cc1)N 1P00242D [0,1,0,0,0,1|1,0,1]=4 3032 B12R1.21 NC(=S)COc1ccc(cc1)Br 1P01DHZG [0,1,0,0,0,1|1,0,1]=4 3033 B12R1.21 NC(=S)COc1ccc(cc1)C 1P019NW2 [0,1,0,0,0,1|1,0,1]=4 3034 B12R1.21 NC(=S)COc1ccc(cc1)Cl 1P003FCC [0,1,0,0,0,1|1,0,1]=4 3035 B12R1.21 NC(=S)COc1ccc(cc1)F 1P00CJP5 [0,1,0,0,0,1|1,0,1]=4 3036 B12R1.21 NC(=S)NCc1ccc(cc1)Br 1P01A66Q [0,1,0,0,0,1|1,0,1]=4 3037 B12R1.21 NC(=S)NCc1ccc(cc1)C 1P008SHU [0,1,0,0,0,1|1,0,1]=4 3038 B12R1.21 NC(=S)NCc1ccc(cc1)Cl 1P002Q1H [0,1,0,0,0,1|1,0,1]=4 3039 B12R1.21 NC(=S)NCc1ccc(cc1)F 1P00D6D0 [0,1,0,0,0,1|1,0,1]=4 3040 B12R1.21 NC(=[NH2+])SCc1ccc(cc1)F 1P00HH61 [0,1,0,0,0,1|1,0,1]=4 3041 B12R1.27 BrCC(=O)CCc1ccccc1 1P003ELT [0,1,0,0,0,1|1,0,1]=4 3042 B12R1.27 BrCC(=O)COc1ccccc1 1P01A1CA [0,1,0,0,0,1|1,0,1]=4 3043 B12R1.27 BrCC(=O)NCc1ccccc1 1P00C2NQ [0,1,0,0,0,1|1,0,1]=4 3044 B12R1.27 BrCC(=O)OCc1ccccc1 1P003OK7 [0,1,0,0,0,1|1,0,1]=4 3045 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [0,1,0,0,0,1|1,0,0]=3 3046 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [0,1,0,0,0,1|1,0,1]=4 3047 B12R1.27 CCC(=O)OCc1ccccc1 1P0016ZO [0,1,0,0,0,1|1,0,1]=4 3048 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [0,1,0,0,0,1|0,0,0]=2 3049 B12R1.27 CCC(CCc1cccnc1)O 1P01BU2G [0,1,0,0,0,1|2,0,0]=4 3050 B12R1.27 CCC(CNc1ccccc1)N 1P01APH0 [0,1,0,0,0,1|0,0,0]=2 3051 B12R1.27 CCC(CNc1ccccc1)O 1P01A8V7 [0,1,0,0,0,1|1,0,0]=3 3052 B12R1.27 CCC(COc1ccccc1)N 1P00BOHB [0,1,0,0,0,1|0,0,0]=2 3053 B12R1.27 CCC(NCc1ccccc1)C 1P019OAH [0,1,0,0,0,1|1,0,0]=3 3054 B12R1.27 CCC(NCc1ccccn1)C 1P00J4EV [0,1,0,0,0,1|2,0,0]=4 3055 B12R1.27 CCC(NCc1cccnc1)C 1P00J4IE [0,1,0,0,0,1|2,0,0]=4 3056 B12R1.27 CCC(NCc1ccncc1)C 1P00J4G6 [0,1,0,0,0,1|2,0,0]=4 3057 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [0,1,0,0,0,1|1,0,1]=4 3058 B12R1.27 CNC(=O)CSc1ccccc1 1P01C2IN [0,1,0,0,0,1|1,0,1]=4 3059 B12R1.27 CNC(=O)OCc1ccccc1 1P00BG3C [0,1,0,0,0,1|1,0,1]=4 3060 B12R1.27 CNC(CSc1ccccc1)C 1P01C3CH [0,1,0,0,0,1|0,0,0]=2 3061 B12R1.27 CNC(CSc1ccccc1)C 1P01C5OD [0,1,0,0,0,1|0,0,0]=2 3062 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [0,1,0,0,0,1|1,0,1]=4 3063 B12R1.27 COC(=O)CNc1ccccc1 1P00CCQB [0,1,0,0,0,1|1,0,1]=4 3064 B12R1.27 COC(=O)COc1ccccc1 1P003SIO [0,1,0,0,0,1|1,0,1]=4 3065 B12R1.27 COC(=O)CSc1ccccc1 1P003RZH [0,1,0,0,0,1|1,0,1]=4 3066 B12R1.27 COC(=O)NCc1ccccc1 1P00EDGO [0,1,0,0,0,1|1,0,1]=4 3067 B12R1.27 ClCC(=O)CCc1ccccc1 1P002K5O [0,1,0,0,0,1|1,0,1]=4 3068 B12R1.27 ClCC(=O)COc1ccccc1 1P005WAY [0,1,0,0,0,1|1,0,1]=4 3069 B12R1.27 ClCC(=O)NCc1ccccc1 1P003T7T [0,1,0,0,0,1|1,0,1]=4 3070 B12R1.27 ClCC(=O)OCc1ccccc1 1P001CDL [0,1,0,0,0,1|1,0,1]=4 3071 B12R1.27 FCC(COc1ccccc1)O 1P005I7E [0,1,0,0,0,1|1,0,0]=3 3072 B12R1.27 NCC(=O)CCc1ccccc1 1P028L4B [0,1,0,0,0,1|1,0,1]=4 3073 B12R1.27 NCC(=O)NCc1ccccc1 1P0029W4 [0,1,0,0,0,1|1,0,1]=4 3074 B12R1.27 NCC(=O)NCc1ccccc1 1P00CM9R [0,1,0,0,0,1|1,0,1]=4 3075 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNQ [0,1,0,0,0,1|1,0,1]=4 3076 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNT [0,1,0,0,0,1|1,0,1]=4 3077 B12R1.27 NCC(=O)OCc1ccccc1 1P002P9Z [0,1,0,0,0,1|1,0,1]=4 3078 B12R1.27 NCC(=O)SCc1ccccc1 1P021MDH [0,1,0,0,0,1|1,0,1]=4 3079 B12R1.27 NCC(COc1ccccc1)C 1P027UPS [0,1,0,0,0,1|0,0,0]=2 3080 B12R1.27 NCC(COc1ccccc1)O 1P0071Q2 [0,1,0,0,0,1|1,0,0]=3 3081 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [0,1,0,0,0,1|0,0,0]=2 3082 B12R1.27 NCC(SCc1ccccc1)C 1P01EILD [0,1,0,0,0,1|0,0,0]=2 3083 B12R1.27 NC[C@@H](NCc1ccccc1)C 1P01BE91 [0,1,0,0,0,1|0,0,0]=2 3084 B12R1.27 NNC(=O)CCc1ccccc1 1P00BZPV [0,1,0,0,0,1|1,0,1]=4 3085 B12R1.27 NNC(=O)COc1ccccc1 1P00D9BF [0,1,0,0,0,1|1,0,1]=4 3086 B12R1.27 NNC(=O)NCc1ccccc1 1P00AVUU [0,1,0,0,0,1|1,0,1]=4 3087 B12R1.27 NNC(=O)OCc1ccccc1 1P0037SQ [0,1,0,0,0,1|1,0,1]=4 3088 B12R1.27 NNC(=O)OCc1ccccc1 1P00BFD7 [0,1,0,0,0,1|1,0,1]=4 3089 B12R1.27 NNC(=S)NCc1ccccc1 1P003L9I [0,1,0,0,0,1|1,0,1]=4 3090 B12R1.27 NNC(COc1ccccc1)C 1P01BCUE [0,1,0,0,0,1|0,0,0]=2 3091 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [0,1,0,0,0,1|1,0,0]=3 3092 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [0,1,0,0,0,1|1,0,0]=3 3093 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [0,1,0,0,0,1|1,0,1]=4 3094 B12R1.27 OCC(=O)NCc1ccccc1 1P00AL9D [0,1,0,0,0,1|1,0,1]=4 3095 B12R1.27 OCC(=O)OCc1ccccc1 1P0030DU [0,1,0,0,0,1|1,0,1]=4 3096 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [0,1,0,0,0,1|1,0,0]=3 3097 B12R1.27 OCC(CCc1ccncc1)N 1P01EMY7 [0,1,0,0,0,1|1,0,0]=3 3098 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [0,1,0,0,0,1|1,0,0]=3 3099 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [0,1,0,0,0,1|1,0,0]=3 3100 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [0,1,0,0,0,1|1,0,0]=3 3101 B12R1.27 OCC(NCc1ccccn1)C 1P01AZ6S [0,1,0,0,0,1|2,0,0]=4 3102 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [0,1,0,0,0,1|1,0,0]=3 3103 B12R1.27 OC[C@@H](CCc1ccccc1)N 1P01BJI2 [0,1,0,0,0,1|0,0,0]=2 3104 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [0,1,0,0,0,1|1,0,0]=3 3105 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [0,1,0,0,0,1|1,0,0]=3 3106 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [0,1,0,0,0,1|1,0,0]=3 3107 B12R1.27 OC[C@H](CCc1ccccc1)N 1P01BJI0 [0,1,0,0,0,1|0,0,0]=2 3108 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [0,1,0,0,0,1|1,0,0]=3 3109 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [0,1,0,0,0,1|1,0,0]=3 3110 B12R1.27 ON=C(COc1ccccc1)N 1P006MTN [0,1,0,0,0,1|1,0,1]=4 3111 B12R1.27 ONC(=N)CCc1ccccc1 1P002DYI [0,1,0,0,0,1|1,0,1]=4 3112 B12R1.27 ONC(=O)OCc1ccccc1 1P003OL5 [0,1,0,0,0,1|1,0,1]=4 3113 B12R1.27 SCC(=O)OCc1ccccc1 1P008QDV [0,1,0,0,0,1|1,0,1]=4 3114 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [0,1,0,0,0,1|1,0,1]=4 3115 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,1,0,0,0,1|1,0,1]=4 3116 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,1,0,0,0,1|1,0,1]=4 3117 B12R1.43 CC(C(=O)Cc1ccccc1)Cl 1P019W1A [0,1,0,0,0,1|1,0,0]=3 3118 B12R1.43 CC(C(=O)Cc1ccccc1)N 1P01A27E [0,1,0,0,0,1|0,0,0]=2 3119 B12R1.43 CC(C(=O)Nc1ccccc1)Br 1P00736W [0,1,0,0,0,1|1,0,1]=4 3120 B12R1.43 CC(C(=O)Nc1ccccc1)C 1P00E041 [0,1,0,0,0,1|1,0,1]=4 3121 B12R1.43 CC(C(=O)Nc1ccccc1)Cl 1P00C1IU [0,1,0,0,0,1|1,0,1]=4 3122 B12R1.43 CC(C(=O)Nc1ccccc1)N 1P00AUNF [0,1,0,0,0,1|0,0,1]=3 3123 B12R1.43 CC(C(=O)Nc1ccccc1)O 1P019ZV0 [0,1,0,0,0,1|1,0,1]=4 3124 B12R1.43 CC(C(=O)Oc1ccccc1)C 1P0028VL [0,1,0,0,0,1|1,0,1]=4 3125 B12R1.43 CC(C(C)C)Nc1ccccc1 1P00016P [0,1,0,0,0,1|1,0,0]=3 3126 B12R1.43 CC(C(N)C)Oc1ccccc1 1P01AKTG [0,1,0,0,0,1|0,0,0]=2 3127 B12R1.43 CN(C(=N)N)Cc1ccccc1 1P00J1YK [0,1,0,0,0,1|1,0,1]=4 3128 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [0,1,0,0,0,1|1,0,1]=4 3129 B12R1.43 CN(C(=O)Cc1ccccc1)C 1P002ILY [0,1,0,0,0,1|2,0,0]=4 3130 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,0,1|1,0,1]=4 3131 B12R1.43 CN(C(=O)Oc1ccccc1)N 1P028XX8 [0,1,0,0,0,1|1,0,1]=4 3132 B12R1.43 CN(C(=S)N)Cc1ccccc1 1P00DD9B [0,1,0,0,0,1|1,0,1]=4 3133 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)N 1P028VFV [0,1,0,0,0,1|0,0,1]=3 3134 B12R1.43 C[C@@H](C(=O)Oc1ccccc1)N 1P028S9M [0,1,0,0,0,1|0,0,1]=3 3135 B12R1.43 C[C@H](C(=O)Nc1ccccc1)N 1P028VMB [0,1,0,0,0,1|0,0,1]=3 3136 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [0,1,0,0,0,1|1,0,1]=4 3137 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,1,0,0,0,1|1,0,1]=4 3138 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,1,0,0,0,1|1,0,1]=4 3139 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,1,0,0,0,1|1,0,1]=4 3140 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,1,0,0,0,1|1,0,1]=4 3141 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,1,0,0,0,1|1,0,1]=4 3142 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [0,1,0,0,0,1|1,0,0]=3 3143 B12R1.43 O=C(C(C)C)Cc1cccnc1 1P01BH1U [0,1,0,0,0,1|2,0,0]=4 3144 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,1,0,0,0,1|1,0,1]=4 3145 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [0,1,0,0,0,1|1,0,0]=3 3146 B12R1.43 OC(C(F)F)Cc1ccccc1 1P01DVSF [0,1,0,0,0,1|2,0,0]=4 3147 B12R1.43 OC(C(N)C)Cc1ccccc1 1P01A27Z [0,1,0,0,0,1|0,0,0]=2 3148 B12R1.43 OC(C(O)C)Cc1ccncc1 1P027YDO [0,1,0,0,0,1|2,0,0]=4 3149 B12R1.107 CC(CC(=O)c1ccccc1)C 1P00IATM [0,1,0,0,0,1|1,0,0]=3 3150 B12R1.107 CC(CC(=O)c1ccccc1)N 1P01A02K [0,1,0,0,0,1|0,0,0]=2 3151 B12R1.107 CC(CC(=O)c1ccccn1)C 1P005LDF [0,1,0,0,0,1|2,0,0]=4 3152 B12R1.107 CC(CC(=O)c1cccnc1)C 1P008K17 [0,1,0,0,0,1|2,0,0]=4 3153 B12R1.107 CC(CC(=O)c1ccncc1)C 1P01C5MA [0,1,0,0,0,1|2,0,0]=4 3154 B12R1.107 CC(CC(c1ccccn1)C)C 1P01EY0Y [0,1,0,0,0,1|2,0,0]=4 3155 B12R1.107 CC(CC(c1ccccn1)N)C 1P003K4X [0,1,0,0,0,1|2,0,0]=4 3156 B12R1.107 CC(CC(c1ccccn1)N)C 1P028HXO [0,1,0,0,0,1|2,0,0]=4 3157 B12R1.107 CC(CC(c1ccccn1)O)C 1P01A0GP [0,1,0,0,0,1|2,0,0]=4 3158 B12R1.107 CC(CC(c1cccnc1)N)C 1P00GW1B [0,1,0,0,0,1|2,0,0]=4 3159 B12R1.107 CC(CN(c1ccccc1)C)N 1P019XOL [0,1,0,0,0,1|0,0,0]=2 3160 B12R1.107 CC(CN(c1ccccc1)C)N 1P01A7V7 [0,1,0,0,0,1|0,0,0]=2 3161 B12R1.107 CC(N=C(c1ccccc1)Cl)C 1P00FG3V [0,1,0,0,0,1|1,0,1]=4 3162 B12R1.107 CC(NC(=O)c1ccccc1)C 1P00DJ14 [0,1,0,0,0,1|1,0,1]=4 3163 B12R1.107 CC(OC(=O)c1ccccc1)C 1P00GSIP [0,1,0,0,0,1|1,0,1]=4 3164 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,1,0,0,0,1|1,0,1]=4 3165 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,1,0,0,0,1|1,0,1]=4 3166 B12R1.107 CC(c1ccccc1)NC(=S)N 1P00FCYI [0,1,0,0,0,1|1,0,1]=4 3167 B12R1.107 CC(c1ccccc1)NC(C)C 1P0073Y4 [0,1,0,0,0,1|1,0,0]=3 3168 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,1,0,0,0,1|1,0,1]=4 3169 B12R1.107 CN(CC(=O)c1ccccc1)C 1P00CNM0 [0,1,0,0,0,1|2,0,0]=4 3170 B12R1.107 C[C@@H](c1ccccc1)NC(C)C 1P000CM5 [0,1,0,0,0,1|1,0,0]=3 3171 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,1,0,0,0,1|1,0,1]=4 3172 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,1,0,0,0,1|1,0,1]=4 3173 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,1,0,0,0,1|1,0,1]=4 3174 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,1,0,0,0,1|1,0,1]=4 3175 B12R1.107 NC(c1ccccc1)CC(C)C 1P00C0WB [0,1,0,0,0,1|1,0,0]=3 3176 B12R1.107 NC(c1ccccc1)CC(C)C 1P019LPB [0,1,0,0,0,1|1,0,0]=3 3177 B12R1.107 NC(c1ccccc1)CC(F)F 1P01C40K [0,1,0,0,0,1|2,0,0]=4 3178 B12R1.107 NC(c1ccccc1)CN(C)C 1P00BZGW [0,1,0,0,0,1|2,0,0]=4 3179 B12R1.107 NC(c1ccccc1)CN(C)C 1P01ADDB [0,1,0,0,0,1|2,0,0]=4 3180 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,1,0,0,0,1|2,0,0]=4 3181 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P000T0X [0,1,0,0,0,1|1,0,0]=3 3182 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P008YO7 [0,1,0,0,0,1|1,0,0]=3 3183 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P003722 [0,1,0,0,0,1|2,0,0]=4 3184 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P01BD0I [0,1,0,0,0,1|2,0,0]=4 3185 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P000WWO [0,1,0,0,0,1|1,0,0]=3 3186 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P008YO9 [0,1,0,0,0,1|1,0,0]=3 3187 B12R1.107 N[C@H](c1ccccc1)CN(C)C 1P00BASK [0,1,0,0,0,1|2,0,0]=4 3188 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,1,0,0,0,1|1,0,1]=4 3189 B12R1.107 O=C(c1ccccc1)C[S+](C)C 1P002PYK [0,1,0,0,0,1|2,0,0]=4 3190 B12R1.107 O=C(c1ccccc1)\C=C(/N)\C 1P00IS13 [0,1,0,0,0,1|0,0,2]=4 3191 B12R1.107 OC(c1ccccc1)CC(F)F 1P01EN0Y [0,1,0,0,0,1|2,0,0]=4 3192 B12R1.107 OC(c1ccccc1)CC(N)C 1P01A046 [0,1,0,0,0,1|0,0,0]=2 3193 B12R1.107 O[C@@H](c1ccccc1)CN(C)C 1P028DPC [0,1,0,0,0,1|2,0,0]=4 3194 B12R1.125 CC(=C)COc1ccccc1Br 1P00061Q [0,1,0,0,0,1|1,0,1]=4 3195 B12R1.125 CC(=C)COc1ccccc1N 1P00DDN9 [0,1,0,0,0,1|1,0,1]=4 3196 B12R1.125 CC(=C)COc1ccccc1N 1P00J245 [0,1,0,0,0,1|1,0,1]=4 3197 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [0,1,0,0,0,1|1,0,1]=4 3198 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [0,1,0,0,0,1|1,0,1]=4 3199 B12R1.125 CC(=O)NCc1ccccc1Br 1P008QXJ [0,1,0,0,0,1|1,0,1]=4 3200 B12R1.125 CC(=O)NCc1ccccc1Cl 1P00EMME [0,1,0,0,0,1|1,0,1]=4 3201 B12R1.125 CC(=O)NCc1ccccc1N 1P028LKH [0,1,0,0,0,1|1,0,1]=4 3202 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [0,1,0,0,0,1|1,0,1]=4 3203 B12R1.125 CC(CCc1ccccc1F)N 1P01DXR6 [0,1,0,0,0,1|0,0,0]=2 3204 B12R1.125 CC(CCc1ccccc1N)C 1P01A88D [0,1,0,0,0,1|1,0,0]=3 3205 B12R1.125 CC(CCc1cccnc1Br)O 1P024SFZ [0,1,0,0,0,1|2,0,0]=4 3206 B12R1.125 CC(CNc1ccccc1Cl)C 1P01C2ID [0,1,0,0,0,1|1,0,0]=3 3207 B12R1.125 CC(COc1ccccc1C)N 1P00EE9F [0,1,0,0,0,1|0,0,0]=2 3208 B12R1.125 CC(COc1ccccc1C)O 1P003DBV [0,1,0,0,0,1|1,0,0]=3 3209 B12R1.125 CC(COc1ccccc1Cl)N 1P01ATX7 [0,1,0,0,0,1|0,0,0]=2 3210 B12R1.125 CC(COc1ccccc1F)N 1P019X51 [0,1,0,0,0,1|0,0,0]=2 3211 B12R1.125 CC(COc1ccccc1N)C 1P007X8P [0,1,0,0,0,1|1,0,0]=3 3212 B12R1.125 CC(COc1ccccc1O)C 1P007RA8 [0,1,0,0,0,1|1,0,0]=3 3213 B12R1.125 CC(COc1ncccc1Cl)C 1P00HSBN [0,1,0,0,0,1|2,0,0]=4 3214 B12R1.125 CC(NCc1ccccc1Br)C 1P00GU9G [0,1,0,0,0,1|1,0,0]=3 3215 B12R1.125 CC(NCc1ccccc1Br)C 1P00J251 [0,1,0,0,0,1|1,0,0]=3 3216 B12R1.125 CC(NCc1ccccc1C)C 1P00GVW4 [0,1,0,0,0,1|1,0,0]=3 3217 B12R1.125 CC(NCc1ccccc1C)C 1P00J20F [0,1,0,0,0,1|1,0,0]=3 3218 B12R1.125 CC(NCc1ccccc1Cl)C 1P00J24O [0,1,0,0,0,1|1,0,0]=3 3219 B12R1.125 CC(NCc1ccccc1F)C 1P00H29D [0,1,0,0,0,1|1,0,0]=3 3220 B12R1.125 CC(NCc1ccccc1N)C 1P000YAD [0,1,0,0,0,1|1,0,0]=3 3221 B12R1.125 CC(OCc1ccccc1N)C 1P019ZZ9 [0,1,0,0,0,1|1,0,0]=3 3222 B12R1.125 CN(CCc1ccccc1N)C 1P007CA9 [0,1,0,0,0,1|2,0,0]=4 3223 B12R1.125 C[C@H](COc1ccccc1O)O 1P027W1Q [0,1,0,0,0,1|1,0,0]=3 3224 B12R1.125 FC(CNc1ccccc1F)F 1P019ZLZ [0,1,0,0,0,1|2,0,0]=4 3225 B12R1.125 FC(CNc1ccccc1I)F 1P0282U5 [0,1,0,0,0,1|2,0,0]=4 3226 B12R1.125 FC(COc1ccccc1Br)F 1P00IIW0 [0,1,0,0,0,1|2,0,0]=4 3227 B12R1.125 FC(COc1ccccc1N)F 1P00JFUF [0,1,0,0,0,1|2,0,0]=4 3228 B12R1.125 NC(=N)COc1ccccc1C 1P019XTZ [0,1,0,0,0,1|1,0,1]=4 3229 B12R1.125 NC(=N)COc1ccccc1Cl 1P00EDLZ [0,1,0,0,0,1|1,0,1]=4 3230 B12R1.125 NC(=N)NCc1ccccc1Br 1P01FLEP [0,1,0,0,0,1|1,0,1]=4 3231 B12R1.125 NC(=N)NCc1ccccc1F 1P01EI95 [0,1,0,0,0,1|1,0,1]=4 3232 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [0,1,0,0,0,1|1,0,1]=4 3233 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [0,1,0,0,0,1|1,0,1]=4 3234 B12R1.125 NC(=O)CNc1ccccc1Br 1P027XV8 [0,1,0,0,0,1|1,0,1]=4 3235 B12R1.125 NC(=O)COc1ccccc1C 1P00BXOH [0,1,0,0,0,1|1,0,1]=4 3236 B12R1.125 NC(=O)COc1ccccc1Cl 1P003F81 [0,1,0,0,0,1|1,0,1]=4 3237 B12R1.125 NC(=O)COc1ccccc1O 1P00C69V [0,1,0,0,0,1|1,0,1]=4 3238 B12R1.125 NC(=O)CSc1ccccc1N 1P019OTG [0,1,0,0,0,1|1,0,1]=4 3239 B12R1.125 NC(=O)NCc1ccccc1Cl 1P00ISCK [0,1,0,0,0,1|1,0,1]=4 3240 B12R1.125 NC(=O)NCc1ccccc1F 1P01AB49 [0,1,0,0,0,1|1,0,1]=4 3241 B12R1.125 NC(=S)COc1ccccc1F 1P028ZN3 [0,1,0,0,0,1|1,0,1]=4 3242 B12R1.226 CC(=C)COc1cccc(c1)Br 1P01EMHA [0,1,0,0,0,1|1,0,1]=4 3243 B12R1.226 CC(=C)COc1cccc(c1)N 1P0082V8 [0,1,0,0,0,1|1,0,1]=4 3244 B12R1.226 CC(=C)COc1cccc(c1)N 1P0090ZE [0,1,0,0,0,1|1,0,1]=4 3245 B12R1.226 CC(=CCc1cccc(c1)O)C 1P01B6LC [0,1,0,0,0,1|1,0,1]=4 3246 B12R1.226 CC(=O)CCc1cccc(c1)Br 1P00BZYR [0,1,0,0,0,1|1,0,1]=4 3247 B12R1.226 CC(=O)CCc1cccc(c1)C 1P019X4A [0,1,0,0,0,1|1,0,1]=4 3248 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1P007GH3 [0,1,0,0,0,1|1,0,1]=4 3249 B12R1.226 CC(=O)CCc1cccc(c1)F 1P00C98G [0,1,0,0,0,1|1,0,1]=4 3250 B12R1.226 CC(=O)NCc1cccc(c1)Br 1P00C6B3 [0,1,0,0,0,1|1,0,1]=4 3251 B12R1.226 CC(=O)NCc1cccc(c1)F 1P009811 [0,1,0,0,0,1|1,0,1]=4 3252 B12R1.226 CC(=O)NCc1cccc(c1)N 1P028Q3L [0,1,0,0,0,1|1,0,1]=4 3253 B12R1.226 CC(=O)OCc1cccc(c1)F 1P0202B9 [0,1,0,0,0,1|1,0,1]=4 3254 B12R1.226 CC(CCc1cccc(c1)F)N 1P01AJAJ [0,1,0,0,0,1|0,0,0]=2 3255 B12R1.226 CC(CCc1cccc(c1)N)C 1P01BWBA [0,1,0,0,0,1|1,0,0]=3 3256 B12R1.226 CC(CNc1cccc(c1)Cl)C 1P01C23X [0,1,0,0,0,1|1,0,0]=3 3257 B12R1.226 CC(CNc1cccc(c1)O)C 1P01AKUZ [0,1,0,0,0,1|1,0,0]=3 3258 B12R1.226 CC(COc1cccc(c1)Br)C 1P00I4VB [0,1,0,0,0,1|1,0,0]=3 3259 B12R1.226 CC(COc1cccc(c1)C)N 1P019X8G [0,1,0,0,0,1|0,0,0]=2 3260 B12R1.226 CC(COc1cccc(c1)C)O 1P003DE7 [0,1,0,0,0,1|1,0,0]=3 3261 B12R1.226 CC(COc1cccc(c1)Cl)N 1P01ATH0 [0,1,0,0,0,1|0,0,0]=2 3262 B12R1.226 CC(COc1cccc(c1)F)N 1P019X24 [0,1,0,0,0,1|0,0,0]=2 3263 B12R1.226 CC(COc1cccc(c1)F)O 1P01AHN2 [0,1,0,0,0,1|1,0,0]=3 3264 B12R1.226 CC(COc1cccc(c1)N)C 1P0079Z6 [0,1,0,0,0,1|1,0,0]=3 3265 B12R1.226 CC(COc1cccc(c1)O)C 1P00H5KP [0,1,0,0,0,1|1,0,0]=3 3266 B12R1.226 CC(CSc1cncc(c1)O)C 1P028OZP [0,1,0,0,0,1|2,0,0]=4 3267 B12R1.226 CC(NCc1cccc(c1)Br)C 1P009UD0 [0,1,0,0,0,1|1,0,0]=3 3268 B12R1.226 CC(NCc1cccc(c1)C)C 1P006H00 [0,1,0,0,0,1|1,0,0]=3 3269 B12R1.226 CC(NCc1cccc(c1)C)C 1P00J20C [0,1,0,0,0,1|1,0,0]=3 3270 B12R1.226 CC(NCc1cccc(c1)Cl)C 1P006R3Z [0,1,0,0,0,1|1,0,0]=3 3271 B12R1.226 CC(NCc1cccc(c1)F)C 1P006R40 [0,1,0,0,0,1|1,0,0]=3 3272 B12R1.226 CC(OCc1cccc(c1)Br)C 1P009YXT [0,1,0,0,0,1|1,0,0]=3 3273 B12R1.226 CC(OCc1cccc(c1)N)C 1P00VUZP [0,1,0,0,0,1|1,0,0]=3 3274 B12R1.226 CC(SCc1cccc(c1)N)C 1P01AL5N [0,1,0,0,0,1|1,0,0]=3 3275 B12R1.226 CN(CCc1cccc(c1)Br)C 1P00G8UW [0,1,0,0,0,1|2,0,0]=4 3276 B12R1.226 CN(CCc1cccc(c1)N)C 1P02497N [0,1,0,0,0,1|2,0,0]=4 3277 B12R1.226 FC(CNc1cccc(c1)Br)F 1P028U6V [0,1,0,0,0,1|2,0,0]=4 3278 B12R1.226 FC(CNc1cccc(c1)Cl)F 1P019ZH1 [0,1,0,0,0,1|2,0,0]=4 3279 B12R1.226 FC(CNc1cccc(c1)I)F 1P0291DB [0,1,0,0,0,1|2,0,0]=4 3280 B12R1.226 FC(COc1cccc(c1)Br)F 1P005XGV [0,1,0,0,0,1|2,0,0]=4 3281 B12R1.226 FC(COc1cccc(c1)N)F 1P00JFR2 [0,1,0,0,0,1|2,0,0]=4 3282 B12R1.226 FC(COc1cccc(c1)O)F 1P00P7B8 [0,1,0,0,0,1|2,0,0]=4 3283 B12R1.226 FC(OCc1cccc(c1)Br)F 1P027YBS [0,1,0,0,0,1|2,0,0]=4 3284 B12R1.226 FC(OCc1cccc(c1)N)F 1P027XLH [0,1,0,0,0,1|2,0,0]=4 3285 B12R1.226 NC(=N)COc1cccc(c1)Cl 1P00J1V6 [0,1,0,0,0,1|1,0,1]=4 3286 B12R1.226 NC(=N)COc1cccc(c1)F 1P019G1A [0,1,0,0,0,1|1,0,1]=4 3287 B12R1.226 NC(=N)NCc1cccc(c1)I 1P004JN7 [0,1,0,0,0,1|1,0,1]=4 3288 B12R1.226 NC(=N)NCc1cccc(c1)I 1P008MPG [0,1,0,0,0,1|1,0,1]=4 3289 B12R1.226 NC(=N)NCc1cccc(c1)I 1P008TI1 [0,1,0,0,0,1|1,0,1]=4 3290 B12R1.226 NC(=N)NCc1cccc(c1)O 1P027XSB [0,1,0,0,0,1|1,0,1]=4 3291 B12R1.226 NC(=N)SCc1cccc(c1)C 1P00JWGI [0,1,0,0,0,1|1,0,1]=4 3292 B12R1.226 NC(=N)SCc1cccc(c1)C 1P019ODH [0,1,0,0,0,1|1,0,1]=4 3293 B12R1.226 NC(=O)CCc1cccc(c1)Br 1P00ELSV [0,1,0,0,0,1|1,0,1]=4 3294 B12R1.226 NC(=O)CNc1cccc(c1)F 1P0292E1 [0,1,0,0,0,1|1,0,1]=4 3295 B12R1.226 NC(=O)COc1cccc(c1)Br 1P00C2B9 [0,1,0,0,0,1|1,0,1]=4 3296 B12R1.226 NC(=O)COc1cccc(c1)C 1P0001MA [0,1,0,0,0,1|1,0,1]=4 3297 B12R1.226 NC(=O)COc1cccc(c1)N 1P019L2R [0,1,0,0,0,1|1,0,1]=4 3298 B12R1.226 NC(=O)COc1cccc(c1)O 1P01A2YY [0,1,0,0,0,1|1,0,1]=4 3299 B12R1.226 NC(=O)NCc1cccc(c1)F 1P00J78M [0,1,0,0,0,1|1,0,1]=4 3300 B12R1.226 NC(=S)CCc1cccc(c1)Cl 1P0292N4 [0,1,0,0,0,1|1,0,1]=4 3301 B12R1.226 NC(=S)COc1cccc(c1)C 1P01ZY8M [0,1,0,0,0,1|1,0,1]=4 3302 B12R1.226 NC(=S)COc1cccc(c1)Cl 1P00C7UN [0,1,0,0,0,1|1,0,1]=4 3303 B12R1.891 C([2H])(COc1ccccc1)(O)[2H] 1P00BEZP [0,1,0,0,0,1|2,0,0]=4 3304 B12R1.891 CC(C#Cc1ccccc1)(N)C 1P01DZ8I [0,1,0,0,0,1|0,0,1]=3 3305 B12R1.891 CC(C#Cc1ccccc1)(O)C 1P003I41 [0,1,0,0,0,1|1,0,1]=4 3306 B12R1.891 CC(C=Cc1ccccc1)(N)C 1P027VR8 [0,1,0,0,0,1|0,0,1]=3 3307 B12R1.891 CC(CCc1ccccc1)(N)C 1P01AACF [0,1,0,0,0,1|0,0,0]=2 3308 B12R1.891 CC(CCc1ccccc1)(O)C 1P003I40 [0,1,0,0,0,1|1,0,0]=3 3309 B12R1.891 CC(CCc1ccccn1)(N)C 1P028VK7 [0,1,0,0,0,1|1,0,0]=3 3310 B12R1.891 CC(CCc1ccncc1)(N)C 1P0290DH [0,1,0,0,0,1|1,0,0]=3 3311 B12R1.891 CC(CNc1ccccc1)(C)C 1P005WZP [0,1,0,0,0,1|1,0,0]=3 3312 B12R1.891 CC(CNc1ccccc1)(C)C 1P01FNHT [0,1,0,0,0,1|1,0,0]=3 3313 B12R1.891 CC(CNc1ccccc1)(N)C 1P01ABV4 [0,1,0,0,0,1|0,0,0]=2 3314 B12R1.891 CC(CNc1ccccc1)(N)C 1P027VZM [0,1,0,0,0,1|0,0,0]=2 3315 B12R1.891 CC(CNc1ccccn1)(C)C 1P01C2S3 [0,1,0,0,0,1|2,0,0]=4 3316 B12R1.891 CC(CNc1cccnc1)(C)C 1P01AJSQ [0,1,0,0,0,1|2,0,0]=4 3317 B12R1.891 CC(COc1ccccc1)(N)C 1P028UK6 [0,1,0,0,0,1|0,0,0]=2 3318 B12R1.891 CC(COc1ccccc1)(O)C 1P01AIGV [0,1,0,0,0,1|1,0,0]=3 3319 B12R1.891 CC(NCc1ccccc1)(C)C 1P0035RG [0,1,0,0,0,1|1,0,0]=3 3320 B12R1.891 CC(NCc1ccccn1)(C)C 1P00EESD [0,1,0,0,0,1|2,0,0]=4 3321 B12R1.891 CC(NCc1ccccn1)(C)C 1P00J4K1 [0,1,0,0,0,1|2,0,0]=4 3322 B12R1.891 CC(NCc1cccnc1)(C)C 1P006DLG [0,1,0,0,0,1|2,0,0]=4 3323 B12R1.891 CC(NCc1ccncc1)(C)C 1P00J4HM [0,1,0,0,0,1|2,0,0]=4 3324 B12R1.891 CC(NNc1ccccc1)(C)C 1P019LM0 [0,1,0,0,0,1|2,0,0]=4 3325 B12R1.891 CC(NSc1ccccc1)(C)C 1P002FK9 [0,1,0,0,0,1|2,0,0]=4 3326 B12R1.891 CC(SCc1ccccc1)(C)C 1P005O2P [0,1,0,0,0,1|1,0,0]=3 3327 B12R1.891 CS(=O)(=O)NCc1ccccc1 1P00JJR7 [0,1,0,0,0,1|2,0,0]=4 3328 B12R1.891 CS(=O)(=O)OCc1ccccc1 1P01C4RT [0,1,0,0,0,1|2,0,0]=4 3329 B12R1.891 C[Si](NCc1ccccc1)(C)C 1P001LHD [0,1,0,0,0,1|1,1,0]=4 3330 B12R1.891 C[Si](OCc1ccccc1)(C)C 1P001EH3 [0,1,0,0,0,1|1,1,0]=4 3331 B12R1.891 FC(CCc1ccccc1)(F)F 1P001QA7 [0,1,0,0,0,1|2,0,0]=4 3332 B12R1.891 FC(CNc1ccccc1)(F)F 1P00C8YW [0,1,0,0,0,1|2,0,0]=4 3333 B12R1.891 FC(COc1ccccc1)(F)F 1P001ZFW [0,1,0,0,0,1|2,0,0]=4 3334 B12R1.891 FC(CSc1ccccc1)(F)F 1P01EV0W [0,1,0,0,0,1|2,0,0]=4 3335 B12R1.891 NS(=O)(=O)CCc1ccccc1 1P01A8RG [0,1,0,0,0,1|2,0,0]=4 3336 B12R1.891 NS(=O)(=O)NCc1ccccc1 1P009CVK [0,1,0,0,0,1|2,0,0]=4 3337 B12R1.891 NS(=O)(=O)OCc1ccccc1 1P028CWY [0,1,0,0,0,1|2,0,0]=4 3338 B12R1.4 BrCc1ccc(cc1)CC(C)C 1P000J3J [0,2,0,0,0,0|1,0,0]=3 3339 B12R1.4 BrCc1ccc(cc1)CC(F)F 1P028Z4Q [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.4 BrCc1ccc(cc1)OC(C)C 1P00FI8H [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.4 C=Cc1ccc(cc1)CC(C)C 1P00EFLD [0,2,0,0,0,0|1,0,0]=3 3342 B12R1.4 C=Cc1ccc(cc1)C[NH+](C)C 1P00BC5T [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.4 CC(Cc1ccc(cc1)C#C)C 1P00115Q [0,2,0,0,0,0|1,0,0]=3 3344 B12R1.4 CC(Cc1ccc(cc1)C#N)N 1P01B2YV [0,2,0,0,0,0|0,0,0]=2 3345 B12R1.4 CC(Oc1ccc(cc1)C#C)C 1P006R4D [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.4 CC(Oc1ccc(cc1)C#N)C 1P00IHFD [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.4 CCc1ccc(cc1)CC(=O)C 1P003DFZ [0,2,0,0,0,0|1,0,1]=4 3348 B12R1.4 CCc1ccc(cc1)CC(C)C 1P008TDW [0,2,0,0,0,0|1,0,0]=3 3349 B12R1.4 CCc1ccc(cc1)NC(C)C 1P01AXWH [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.4 CN(Cc1ccc(cc1)C#N)C 1P00C73M [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.4 CNc1ccc(cc1)OC(C)C 1P01BE8O [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.4 COc1ccc(cc1)CC(=O)C 1P00170J [0,2,0,0,0,0|1,0,1]=4 3353 B12R1.4 COc1ccc(cc1)CC(=O)N 1P003M5D [0,2,0,0,0,0|1,0,1]=4 3354 B12R1.4 COc1ccc(cc1)CC(O)C 1P00304I [0,2,0,0,0,0|1,0,0]=3 3355 B12R1.4 COc1ccc(cc1)NC(C)C 1P001VNB [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.4 COc1ccc(cc1)NC(C)C 1P01AA4M [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.4 COc1ccc(cc1)SC(C)C 1P005O3I [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.4 CSc1ccc(cc1)CC(N)C 1P01EPGN [0,2,0,0,0,0|0,0,0]=2 3359 B12R1.4 ClCc1ccc(cc1)CC(C)C 1P01A9QR [0,2,0,0,0,0|1,0,0]=3 3360 B12R1.4 ClCc1ccc(cc1)CN(C)C 1P027UZP [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.4 ClCc1ccc(cc1)OC(C)C 1P027P8R [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.4 ClCc1ccc(cc1)SC(C)C 1P01A6CB [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.4 N#Cc1ccc(cc1)CC(=O)C 1P00EATG [0,2,0,0,0,0|1,0,1]=4 3364 B12R1.4 N#Cc1ccc(cc1)CC(=O)N 1P0091Z6 [0,2,0,0,0,0|1,0,1]=4 3365 B12R1.4 N#Cc1ccc(cc1)CS(=O)C 1P01DU12 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.4 NCc1ccc(cc1)CC(=O)N 1P01BHMO [0,2,0,0,0,0|1,0,1]=4 3367 B12R1.4 NCc1ccc(cc1)CC(C)C 1P0288RK [0,2,0,0,0,0|1,0,0]=3 3368 B12R1.4 NCc1ccc(cc1)CN(C)C 1P00BIQX [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.4 NCc1ccc(cc1)CN(C)C 1P00C7AM [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.4 NCc1ccc(cc1)CN(C)C 1P00J1XD [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.4 NCc1ccc(cc1)CS(=O)C 1P01BB9N [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.4 NCc1ccc(cc1)NC(C)C 1P0285TG [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.4 NCc1ccc(cc1)OC(C)C 1P009R7E [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.4 NCc1ccc(cc1)OC(C)C 1P00C2G3 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.4 NNc1ccc(cc1)OC(C)C 1P0085LY [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.4 O=Cc1ccc(cc1)CC(C)C 1P003M1P [0,2,0,0,0,0|1,0,0]=3 3377 B12R1.4 O=Cc1ccc(cc1)CC(O)C 1P0287W5 [0,2,0,0,0,0|1,0,0]=3 3378 B12R1.4 O=Cc1ccc(cc1)OC(C)C 1P002E9N [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.4 O=Cc1ccc(nc1)CC(C)C 1P01C8VB [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.4 OCc1ccc(cc1)CC(C)C 1P007DTM [0,2,0,0,0,0|1,0,0]=3 3381 B12R1.4 OCc1ccc(cc1)CN(C)C 1P001C8W [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.4 OCc1ccc(cc1)OC(C)C 1P0052UQ [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.4 OCc1ccc(cc1)SC(C)C 1P01ACBW [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.4 SCc1ccc(cc1)OC(C)C 1P0291AR [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1P00IBYT [0,2,0,0,0,0|1,0,1]=4 3386 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1P003IX3 [0,2,0,0,0,0|1,0,1]=4 3387 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1P019YU0 [0,2,0,0,0,0|1,0,1]=4 3388 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1P002QOU [0,2,0,0,0,0|1,0,1]=4 3389 B12R1.19 CC(Cc1ccc(c(c1)Br)F)N 1P01A0ZQ [0,2,0,0,0,0|0,0,0]=2 3390 B12R1.19 CC(Cc1ccc(c(c1)F)Br)O 1P019YTZ [0,2,0,0,0,0|1,0,0]=3 3391 B12R1.19 CC(Cc1ccc(c(c1)F)C)N 1P028IRC [0,2,0,0,0,0|0,0,0]=2 3392 B12R1.19 CC(Cc1ccc(c(c1)F)I)C 1P028L6S [0,2,0,0,0,0|1,0,0]=3 3393 B12R1.19 CC(Cc1ccc(c(c1)F)N)C 1P0291Q8 [0,2,0,0,0,0|1,0,0]=3 3394 B12R1.19 CC(Cc1ncc(c(c1)C)N)C 1P00AMH8 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.19 CC(Nc1ccc(c(c1)Br)C)C 1P01AW3C [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.19 CC(Nc1ccc(c(c1)Cl)Cl)C 1P01A946 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.19 CC(Oc1ccc(c(c1)C)Br)C 1P01EYGI [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.19 CC(Oc1ccc(c(c1)C)N)C 1P0064QI [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.19 CC(Oc1ccc(c(c1)Cl)N)C 1P01AGMI [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.19 CC(Oc1ccc(c(c1)F)N)C 1P00HYNZ [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.19 CC(Oc1ccc(c(c1)N)C)C 1P006FCW [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.19 CC(Oc1ccc(c(c1)N)Cl)C 1P021OIR [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.19 CC(Oc1ccc(c(c1)N)F)C 1P01K00S [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.19 CC(Oc1ccc(c(c1)N)F)C 1P020ET5 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.19 CN(Cc1ccc(c(c1)C)N)C 1P01C2YF [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.19 CN(Cc1ccc(c(c1)C)O)C 1P00E8O4 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.19 CN(Cc1ccc(c(c1)Cl)O)C 1P01BGUY [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.19 CN(Cc1ccc(c(c1)F)N)C 1P01C39E [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.19 CN(Cc1ccc(c(c1)N)C)C 1P019UJP [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.19 CS(=O)Cc1ccc(c(c1)N)Cl 1P01AJPU [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.19 NC(=O)Cc1ccc(c(c1)Cl)Cl 1P019W9F [0,2,0,0,0,0|1,0,1]=4 3412 B12R1.19 NC(=O)Cc1ccc(c(c1)O)O 1P0078YT [0,2,0,0,0,0|1,0,1]=4 3413 B12R1.20 BrC(c1ccc(cc1)F)C(=O)N 1P019Q4F [0,2,0,0,0,0|1,0,1]=4 3414 B12R1.20 CC(=C)C(c1ccc(cc1)C)O 1P0285PR [0,2,0,0,0,0|1,0,1]=4 3415 B12R1.20 CC(=O)C(c1ccc(cc1)C)Br 1P028OSI [0,2,0,0,0,0|1,0,1]=4 3416 B12R1.20 CC(C(=O)c1ccc(cc1)Br)C 1P00DAUU [0,2,0,0,0,0|1,0,1]=4 3417 B12R1.20 CC(C(=O)c1ccc(cc1)Br)Cl 1P004O81 [0,2,0,0,0,0|1,0,1]=4 3418 B12R1.20 CC(C(=O)c1ccc(cc1)Br)N 1P01DX7V [0,2,0,0,0,0|0,0,1]=3 3419 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br 1P004M4N [0,2,0,0,0,0|1,0,1]=4 3420 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)C 1P007SID [0,2,0,0,0,0|1,0,1]=4 3421 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br 1P00CJ1Z [0,2,0,0,0,0|1,0,1]=4 3422 B12R1.20 CC(C(=O)c1ccc(cc1)F)C 1P002TI7 [0,2,0,0,0,0|1,0,1]=4 3423 B12R1.20 CC(C(=O)c1ccc(cc1)F)Cl 1P0056I5 [0,2,0,0,0,0|1,0,1]=4 3424 B12R1.20 CC(C(=O)c1ccc(cc1)N)C 1P01ALAR [0,2,0,0,0,0|1,0,1]=4 3425 B12R1.20 CC(C(=O)c1ccc(cc1)O)Br 1P00DI45 [0,2,0,0,0,0|1,0,1]=4 3426 B12R1.20 CC(C(=O)c1ccc(cc1)O)C 1P00CYVD [0,2,0,0,0,0|1,0,1]=4 3427 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P00ASTB [0,2,0,0,0,0|1,0,0]=3 3428 B12R1.20 CC(C(c1ccc(cc1)C)N)C 1P01AU0J [0,2,0,0,0,0|1,0,0]=3 3429 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJJ [0,2,0,0,0,0|0,0,0]=2 3430 B12R1.20 CC(C(c1ccc(cc1)C)O)N 1P01BAJK [0,2,0,0,0,0|0,0,0]=2 3431 B12R1.20 CC([C@@H](c1ccc(cc1)C)N)C 1P00A099 [0,2,0,0,0,0|1,0,0]=3 3432 B12R1.20 CC([S@@](=O)c1ccc(cc1)Br)C 1P00CRD1 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.20 CC(c1ccc(cc1)Br)C(=O)N 1P01ENFZ [0,2,0,0,0,0|1,0,1]=4 3434 B12R1.20 CC(c1ccc(cc1)Br)C(F)F 1P01B2L7 [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.20 Cc1ccc(cc1)C(=O)C(Cl)C 1P005JNA [0,2,0,0,0,0|1,0,1]=4 3436 B12R1.20 Cc1ccc(cc1)C(=O)C(O)C 1P01B8PO [0,2,0,0,0,0|1,0,1]=4 3437 B12R1.20 ClC(c1ccc(cc1)Br)C(=O)N 1P01ABIW [0,2,0,0,0,0|1,0,1]=4 3438 B12R1.20 ClC(c1ccc(cc1)F)C(=O)C 1P002MZZ [0,2,0,0,0,0|1,0,1]=4 3439 B12R1.20 ClC(c1ccc(cc1)F)C(=O)N 1P01AAHM [0,2,0,0,0,0|1,0,1]=4 3440 B12R1.20 Clc1ccc(cc1)C(=O)C(Cl)C 1P004M4M [0,2,0,0,0,0|1,0,1]=4 3441 B12R1.20 FC(C(c1ccc(cc1)F)N)F 1P028P3H [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.20 FC(C(c1ccc(cc1)N)F)F 1P027Y48 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.20 FC([C@@H](c1ccc(cc1)F)N)F 1P028SEY [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.20 FC([C@H](c1ccc(cc1)F)N)F 1P028KBO [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.20 FC(c1ccc(cc1)Br)C(F)F 1P027X2X [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P01A8BO [0,2,0,0,0,0|1,0,1]=4 3447 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P027W1O [0,2,0,0,0,0|1,0,1]=4 3448 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P00BJU0 [0,2,0,0,0,0|1,0,0]=3 3449 B12R1.20 NC(c1ccc(cc1)Br)C(C)C 1P01E1MR [0,2,0,0,0,0|1,0,0]=3 3450 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P019KLN [0,2,0,0,0,0|1,0,1]=4 3451 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P01AKZ7 [0,2,0,0,0,0|1,0,1]=4 3452 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P003B6F [0,2,0,0,0,0|1,0,0]=3 3453 B12R1.20 NC(c1ccc(cc1)Cl)C(C)C 1P00G4L4 [0,2,0,0,0,0|1,0,0]=3 3454 B12R1.20 NC(c1ccc(cc1)F)C(=O)C 1P01EPFH [0,2,0,0,0,0|1,0,1]=4 3455 B12R1.20 NC(c1ccc(cc1)F)C(=O)N 1P00ACGK [0,2,0,0,0,0|1,0,1]=4 3456 B12R1.20 NC(c1ccc(cc1)F)C(C)C 1P00ASSZ [0,2,0,0,0,0|1,0,0]=3 3457 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(C)C 1P00A05V [0,2,0,0,0,0|1,0,0]=3 3458 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(F)F 1P01FJ4M [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.20 N[C@@H](c1ccc(cc1)F)C(C)C 1P009IV0 [0,2,0,0,0,0|1,0,0]=3 3460 B12R1.20 N[C@H](c1ccc(cc1)Br)C(C)C 1P00A087 [0,2,0,0,0,0|1,0,0]=3 3461 B12R1.20 N[C@H](c1ccc(cc1)Br)C(F)F 1P01FJ4L [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.20 N[C@H](c1ccc(cc1)F)C(C)C 1P009IV2 [0,2,0,0,0,0|1,0,0]=3 3463 B12R1.20 N[C@H](c1ccc(cc1)F)[C@@H](O)C 1P024HSB [0,2,0,0,0,0|1,0,0]=3 3464 B12R1.20 OC(c1ccc(cc1)Br)C(F)F 1P019EDV [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.20 OC(c1ccc(cc1)Br)C(N)C 1P01A85M [0,2,0,0,0,0|0,0,0]=2 3466 B12R1.20 OC(c1ccc(cc1)Cl)C(C)C 1P01A2GR [0,2,0,0,0,0|1,0,0]=3 3467 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P00BDVF [0,2,0,0,0,0|0,0,0]=2 3468 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C 1P019TKY [0,2,0,0,0,0|0,0,0]=2 3469 B12R1.20 OC(c1ccc(cc1)F)C(N)C 1P01AHY8 [0,2,0,0,0,0|0,0,0]=2 3470 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(F)F 1P0292AE [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.20 O[C@H](c1ccc(cc1)Br)C(F)F 1P028FML [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.49 BrC(Cc1ccc(cc1)C)C#N 1P00ERAL [0,2,0,0,0,0|1,0,1]=4 3473 B12R1.49 BrCC(=O)Cc1ccc(cc1)Cl 1P0094XY [0,2,0,0,0,0|1,0,1]=4 3474 B12R1.49 C=CC(Cc1ccc(cc1)Cl)N 1P0280YA [0,2,0,0,0,0|0,0,1]=3 3475 B12R1.49 CC(Cc1ccc(cc1)Cl)C#N 1P023PAL [0,2,0,0,0,0|0,0,1]=3 3476 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1P00BJYB [0,2,0,0,0,0|1,0,1]=4 3477 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1P003DHA [0,2,0,0,0,0|1,0,1]=4 3478 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1P01B5H3 [0,2,0,0,0,0|1,0,1]=4 3479 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1P00KLWN [0,2,0,0,0,0|1,0,1]=4 3480 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1P00IHD6 [0,2,0,0,0,0|1,0,1]=4 3481 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1P028YMZ [0,2,0,0,0,0|1,0,1]=4 3482 B12R1.49 CCC(Cc1ccc(cc1)Br)N 1P01B75H [0,2,0,0,0,0|0,0,0]=2 3483 B12R1.49 CCC(Cc1ccc(cc1)C)N 1P00B8C1 [0,2,0,0,0,0|0,0,0]=2 3484 B12R1.49 CCC(Cc1ccc(cc1)C)O 1P019SLJ [0,2,0,0,0,0|1,0,0]=3 3485 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 1P00BESL [0,2,0,0,0,0|0,0,0]=2 3486 B12R1.49 CCC(Cc1ccc(cc1)F)N 1P00C4E1 [0,2,0,0,0,0|0,0,0]=2 3487 B12R1.49 CCC(Cc1ccc(cc1)O)N 1P01A7DK [0,2,0,0,0,0|0,0,0]=2 3488 B12R1.49 CCC(Oc1ccc(cc1)Br)C 1P019YC2 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00EEKR [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00J278 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.49 CCC(Oc1ccc(cc1)O)C 1P0068LX [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.49 CCN(Cc1ccc(cc1)N)C 1P019YRC [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 1P005QNZ [0,2,0,0,0,0|1,0,1]=4 3494 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 1P00IB5K [0,2,0,0,0,0|1,0,1]=4 3495 B12R1.49 CNC(=O)Cc1ccc(cc1)N 1P00C996 [0,2,0,0,0,0|1,0,1]=4 3496 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1P002XUE [0,2,0,0,0,0|1,0,1]=4 3497 B12R1.49 CNC(Cc1ccc(cc1)F)C 1P01BFBZ [0,2,0,0,0,0|0,0,0]=2 3498 B12R1.49 CNC(Cc1ccc(cc1)O)C 1P01LJEU [0,2,0,0,0,0|0,0,0]=2 3499 B12R1.49 COC(=O)Cc1ccc(cc1)Br 1P0035O5 [0,2,0,0,0,0|1,0,1]=4 3500 B12R1.49 COC(=O)Cc1ccc(cc1)C 1P003SCO [0,2,0,0,0,0|1,0,1]=4 3501 B12R1.49 COC(=O)Cc1ccc(cc1)Cl 1P00I9UH [0,2,0,0,0,0|1,0,1]=4 3502 B12R1.49 COC(=O)Cc1ccc(cc1)F 1P00C7YP [0,2,0,0,0,0|1,0,1]=4 3503 B12R1.49 COC(=O)Cc1ccc(cc1)I 1P00EKZB [0,2,0,0,0,0|1,0,1]=4 3504 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00BZSM [0,2,0,0,0,0|1,0,1]=4 3505 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00G39W [0,2,0,0,0,0|1,0,1]=4 3506 B12R1.49 COC(=O)Cc1ccc(cc1)O 1P001HYQ [0,2,0,0,0,0|1,0,1]=4 3507 B12R1.49 ClCC(=O)Cc1ccc(cc1)Br 1P00JTS9 [0,2,0,0,0,0|1,0,1]=4 3508 B12R1.49 ClCC(=O)Cc1ccc(cc1)C 1P00JTS0 [0,2,0,0,0,0|1,0,1]=4 3509 B12R1.49 ClCC(=O)Cc1ccc(cc1)Cl 1P00JTRT [0,2,0,0,0,0|1,0,1]=4 3510 B12R1.49 ClCC(=O)Cc1ccc(cc1)F 1P0030FU [0,2,0,0,0,0|1,0,1]=4 3511 B12R1.49 NCC(=O)Cc1ccc(cc1)Br 1P01B8A1 [0,2,0,0,0,0|1,0,1]=4 3512 B12R1.49 NCC(=O)Cc1ccc(cc1)F 1P01BFX6 [0,2,0,0,0,0|1,0,1]=4 3513 B12R1.49 NCC(Cc1ccc(cc1)Br)O 1P028620 [0,2,0,0,0,0|1,0,0]=3 3514 B12R1.49 NCC(Cc1ccc(cc1)C)N 1P01EKI5 [0,2,0,0,0,0|0,0,0]=2 3515 B12R1.49 NCC(Cc1ccc(cc1)C)O 1P027U4C [0,2,0,0,0,0|1,0,0]=3 3516 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P01BAQC [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P0290EV [0,2,0,0,0,0|1,0,0]=3 3518 B12R1.49 NCC(Cc1ccc(cc1)F)O 1P01BIVQ [0,2,0,0,0,0|1,0,0]=3 3519 B12R1.49 NCC(Oc1ccc(cc1)Br)C 1P00GSIM [0,2,0,0,0,0|1,0,0]=3 3520 B12R1.49 NCC(Oc1ccc(cc1)C)C 1P00EADF [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.49 NCC(Oc1ccc(cc1)Cl)C 1P019T0M [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.49 NCC(Oc1ccc(cc1)F)C 1P00IFSK [0,2,0,0,0,0|1,0,0]=3 3523 B12R1.49 NCC(Oc1ccc(nc1)C)C 1P01SHPB [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.49 NCC(Sc1ccc(cc1)Br)C 1P01AHJN [0,2,0,0,0,0|1,0,0]=3 3525 B12R1.49 NNC(=O)Cc1ccc(cc1)Br 1P00EAQB [0,2,0,0,0,0|1,0,1]=4 3526 B12R1.49 NNC(=O)Cc1ccc(cc1)C 1P00EEHZ [0,2,0,0,0,0|1,0,1]=4 3527 B12R1.49 NNC(=O)Cc1ccc(cc1)Cl 1P00E9QF [0,2,0,0,0,0|1,0,1]=4 3528 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P00BYWL [0,2,0,0,0,0|1,0,1]=4 3529 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P01DJR3 [0,2,0,0,0,0|1,0,1]=4 3530 B12R1.49 NNC(=O)Cc1ccc(cc1)N 1P027MP7 [0,2,0,0,0,0|1,0,1]=4 3531 B12R1.49 NNC(=O)Cc1ccc(cc1)O 1P0028UY [0,2,0,0,0,0|1,0,1]=4 3532 B12R1.49 O=CC(Cc1ccc(cc1)C)Cl 1P01BY9A [0,2,0,0,0,0|1,0,1]=4 3533 B12R1.49 OCC(=O)Cc1ccc(cc1)F 1P019Z6K [0,2,0,0,0,0|1,0,1]=4 3534 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P00CNDM [0,2,0,0,0,0|0,0,0]=2 3535 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P01B1SU [0,2,0,0,0,0|0,0,0]=2 3536 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P00188V [0,2,0,0,0,0|0,0,0]=2 3537 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P003Q9R [0,2,0,0,0,0|0,0,0]=2 3538 B12R1.49 OCC(Cc1ccc(cc1)F)C 1P01ADFP [0,2,0,0,0,0|1,0,0]=3 3539 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01A498 [0,2,0,0,0,0|0,0,0]=2 3540 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01BDZN [0,2,0,0,0,0|0,0,0]=2 3541 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P00I37R [0,2,0,0,0,0|0,0,0]=2 3542 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P01BI09 [0,2,0,0,0,0|0,0,0]=2 3543 B12R1.49 OCC(Cc1ccc(cc1)N)F 1P028X6K [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.49 OCC(Cc1ccc(cc1)O)N 1P01B4HI [0,2,0,0,0,0|0,0,0]=2 3545 B12R1.49 OC[C@@H](Cc1ccc(cc1)Cl)N 1P00BJSP [0,2,0,0,0,0|0,0,0]=2 3546 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P00CND0 [0,2,0,0,0,0|0,0,0]=2 3547 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P01DE71 [0,2,0,0,0,0|0,0,0]=2 3548 B12R1.49 OC[C@@H](Cc1ccc(cc1)O)N 1P003QD1 [0,2,0,0,0,0|0,0,0]=2 3549 B12R1.49 OC[C@@H](Oc1ccc(cc1)Cl)C 1P004KL8 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.49 OC[C@H](Cc1ccc(cc1)Br)N 1P01JM4D [0,2,0,0,0,0|0,0,0]=2 3551 B12R1.49 OC[C@H](Cc1ccc(cc1)C)N 1P01JM2C [0,2,0,0,0,0|0,0,0]=2 3552 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P0028CV [0,2,0,0,0,0|0,0,0]=2 3553 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P019GEA [0,2,0,0,0,0|0,0,0]=2 3554 B12R1.49 OC[C@H](Cc1ccc(cc1)F)N 1P002D3T [0,2,0,0,0,0|0,0,0]=2 3555 B12R1.49 OC[C@H](Cc1ccc(cc1)N)N 1P00FI1E [0,2,0,0,0,0|0,0,0]=2 3556 B12R1.49 OC[C@H](Cc1ccc(cc1)O)N 1P0035KS [0,2,0,0,0,0|0,0,0]=2 3557 B12R1.49 ON=C(Cc1ccc(cc1)F)N 1P00CI0U [0,2,0,0,0,0|1,0,1]=4 3558 B12R1.49 ONC(=N)Cc1ccc(cc1)O 1P00F24J [0,2,0,0,0,0|1,0,1]=4 3559 B12R1.49 ONC(=O)Cc1ccc(cc1)Br 1P019XE1 [0,2,0,0,0,0|1,0,1]=4 3560 B12R1.49 ONC(=O)Cc1ccc(cc1)C 1P019X7E [0,2,0,0,0,0|1,0,1]=4 3561 B12R1.49 ONC(=O)Cc1ccc(cc1)Cl 1P019XEP [0,2,0,0,0,0|1,0,1]=4 3562 B12R1.49 ONC(=O)Cc1ccc(cc1)F 1P019XEM [0,2,0,0,0,0|1,0,1]=4 3563 B12R1.49 ONC(=O)Cc1ccc(cc1)N 1P028WN8 [0,2,0,0,0,0|1,0,1]=4 3564 B12R1.49 O\N=C(/Cc1ccc(cc1)Br)\N 1P00C80E [0,2,0,0,0,0|1,0,1]=4 3565 B12R1.49 O\N=C(\Cc1ccc(cc1)Cl)/N 1P00FD1K [0,2,0,0,0,0|1,0,1]=4 3566 B12R1.49 O\N=C(\Cc1ccc(cc1)F)/N 1P00J167 [0,2,0,0,0,0|1,0,1]=4 3567 B12R1.106 Brc1ccc(cc1)CP(=O)(C)C 1P01WT9V [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.106 Brc1ccc(cc1)CS(=O)(=N)C 1P028EFQ [0,2,0,0,0,0|1,0,1]=4 3569 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)C 1P00C1QB [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)N 1P00ELB6 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.106 Brc1ccc(cc1)C[Si](C)(C)C 1P0078LX [0,2,0,0,0,0|1,1,0]=4 3572 B12R1.106 CC(Cc1ccc(cc1)Br)(C)C 1P01GFPM [0,2,0,0,0,0|1,0,0]=3 3573 B12R1.106 CC(Cc1ccc(cc1)Br)(N)C 1P001ECI [0,2,0,0,0,0|0,0,0]=2 3574 B12R1.106 CC(Cc1ccc(cc1)Br)(N)C 1P00I4ZA [0,2,0,0,0,0|0,0,0]=2 3575 B12R1.106 CC(Cc1ccc(cc1)Br)(O)C 1P00EMDU [0,2,0,0,0,0|1,0,0]=3 3576 B12R1.106 CC(Cc1ccc(cc1)Cl)(O)C 1P00DGIW [0,2,0,0,0,0|1,0,0]=3 3577 B12R1.106 CC(Cc1ccc(cc1)F)(Br)C 1P01XDDI [0,2,0,0,0,0|1,0,0]=3 3578 B12R1.106 CC(Cc1ccc(cc1)F)(N)C 1P000QIV [0,2,0,0,0,0|0,0,0]=2 3579 B12R1.106 CC(Cc1ccc(cc1)F)(O)C 1P002YF8 [0,2,0,0,0,0|1,0,0]=3 3580 B12R1.106 CC(Cc1ccc(cc1)O)(N)C 1P00DDOU [0,2,0,0,0,0|0,0,0]=2 3581 B12R1.106 CC(Oc1ccc(cc1)Br)(C)C 1P003EL9 [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.106 CC(Oc1ccc(cc1)Cl)(C)C 1P002ENI [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.106 CC(Oc1ccc(cc1)N)(C)C 1P00EIVX [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.106 CC(Oc1ccc(cc1)O)(C)C 1P002P69 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.106 CC(Sc1ccc(cc1)Br)(C)C 1P00C2P7 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.106 CC(Sc1ccc(cc1)N)(C)C 1P01AA3X [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.106 Cc1ccc(cc1)CC(N)(C)C 1P00FZ78 [0,2,0,0,0,0|0,0,0]=2 3588 B12R1.106 Cc1ccc(cc1)CC(O)(C)C 1P002K40 [0,2,0,0,0,0|1,0,0]=3 3589 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)N 1P00ELTW [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.106 Cc1ccc(cc1)OC(C)(C)C 1P007YFR [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.106 Clc1ccc(cc1)CS(=O)(=O)N 1P005FXJ [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.106 FC(Cc1ccc(cc1)Br)(F)F 1P001OPG [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.106 FC(Cc1ccc(cc1)C)(F)F 1P01EWPX [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.106 FC(Cc1ccc(cc1)Cl)(F)F 1P019D2Q [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.106 FC(Cc1ccc(cc1)N)(F)F 1P000WJL [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.106 FC(Cc1ccc(cc1)O)(F)F 1P01EYG5 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)N 1P019NU4 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.106 Nc1ccc(cc1)CS(=O)(=O)C 1P00CD5J [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.106 Nc1ccc(cc1)CS(=O)(=O)N 1P00DLXW [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.106 Oc1ccc(cc1)CS(=O)(=O)N 1P027OE6 [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1P01AIPZ [0,2,0,0,0,0|1,0,1]=4 3602 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1P003G88 [0,2,0,0,0,0|1,0,1]=4 3603 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1P00GNXK [0,2,0,0,0,0|1,0,1]=4 3604 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1P01AHAO [0,2,0,0,0,0|1,0,1]=4 3605 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1P01DVOG [0,2,0,0,0,0|1,0,1]=4 3606 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1P00BDJ5 [0,2,0,0,0,0|1,0,1]=4 3607 B12R1.233 CC(Cc1ccc(cc1C)C)N 1P01AHDF [0,2,0,0,0,0|0,0,0]=2 3608 B12R1.233 CC(Cc1ccc(cc1C)F)N 1P01C5LR [0,2,0,0,0,0|0,0,0]=2 3609 B12R1.233 CC(Cc1ccc(cc1Cl)Cl)N 1P00CND4 [0,2,0,0,0,0|0,0,0]=2 3610 B12R1.233 CC(Cc1ccc(cc1F)Br)N 1P01AHC6 [0,2,0,0,0,0|0,0,0]=2 3611 B12R1.233 CC(Cc1ccc(cc1F)Br)N 1P02933M [0,2,0,0,0,0|0,0,0]=2 3612 B12R1.233 CC(Cc1ccc(cc1F)F)Br 1P01EMA4 [0,2,0,0,0,0|1,0,0]=3 3613 B12R1.233 CC(Cc1ccc(cc1F)F)N 1P01EINC [0,2,0,0,0,0|0,0,0]=2 3614 B12R1.233 CC(Cc1ccc(cc1F)F)N 1P01PU9I [0,2,0,0,0,0|0,0,0]=2 3615 B12R1.233 CC(Cc1ccc(cc1N)N)C 1P0202DH [0,2,0,0,0,0|1,0,0]=3 3616 B12R1.233 CC(Cc1ccc(cc1O)O)C 1P01BEPM [0,2,0,0,0,0|1,0,0]=3 3617 B12R1.233 CC(Nc1ccc(cc1Br)C)C 1P01AY8N [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.233 CC(Nc1ccc(cc1C)C)C 1P019Y0W [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.233 CC(Nc1ccc(cc1Cl)Br)C 1P01AZ0U [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.233 CC(Nc1ccc(cc1Cl)F)C 1P01A9WL [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.233 CC(Nc1ccc(cc1F)F)C 1P00A76X [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.233 CC(Nc1ccc(cc1I)F)C 1P027ZGV [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.233 CC(Nc1ccc(cc1N)Br)C 1P00HBRW [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.233 CC(Nc1ccc(cc1N)C)C 1P019VVJ [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.233 CC(Nc1ccc(cc1N)Cl)C 1P0045ET [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.233 CC(Nc1ccc(cc1N)F)C 1P00B1GJ [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.233 CC(Oc1ccc(cc1Br)F)C 1P0028YV [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.233 CC(Oc1ccc(cc1Br)N)C 1P01A0FP [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.233 CC(Oc1ccc(cc1C)Br)C 1P00ID1V [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.233 CC(Oc1ccc(cc1C)N)C 1P01ALD5 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.233 CC(Oc1ccc(cc1Cl)Br)C 1P0028CF [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.233 CC(Oc1ccc(cc1Cl)N)C 1P00C71J [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.233 CC(Oc1ccc(cc1Cl)N)C 1P00DDCZ [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.233 CC(Oc1ccc(cc1F)Br)C 1P0028YU [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.233 CC(Oc1ccc(cc1F)F)C 1P00BIIF [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.233 CC(Oc1ccc(cc1F)N)C 1P00IKF5 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.233 CC(Oc1ccc(cc1N)Br)C 1P0006HS [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.233 CC(Oc1ccc(cc1N)Cl)C 1P01BCFA [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.233 CC(Oc1ccc(cc1N)F)C 1P0006ID [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.233 CC(Sc1ccc(cc1Cl)Cl)C 1P01F0Q4 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.233 CC(Sc1ccc(cc1N)Cl)C 1P01ABDY [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.233 CN(Cc1ccc(cc1Br)N)C 1P01AGPI [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.233 CN(Cc1ccc(cc1C)N)C 1P01C320 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.233 CN(Cc1ccc(cc1Cl)N)C 1P00H4GP [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.233 CN(Cc1ccc(cc1F)Br)C 1P0095ZG [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.233 CN(Cc1ccc(cc1F)N)C 1P00093T [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.233 CN(Cc1ccc(cc1N)Br)C 1P0289EA [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.233 NC(=N)Cc1ccc(cc1F)F 1P01A62O [0,2,0,0,0,0|1,0,1]=4 3649 B12R1.233 NC(=O)Cc1ccc(cc1C)Br 1P01C8KF [0,2,0,0,0,0|1,0,1]=4 3650 B12R1.233 NC(=O)Cc1ccc(cc1Cl)Cl 1P01KL86 [0,2,0,0,0,0|1,0,1]=4 3651 B12R1.233 NC(=O)Cc1ccc(cc1F)F 1P01B9TF [0,2,0,0,0,0|1,0,1]=4 3652 B12R1.233 NC(=S)Cc1ccc(cc1Cl)F 1P0031FO [0,2,0,0,0,0|1,0,1]=4 3653 B12R1.233 NC(=S)Cc1ccc(cc1F)F 1P01DU2O [0,2,0,0,0,0|1,0,1]=4 3654 B12R1.34 CC(C(=O)c1ccccc1)C#N 1P005W96 [0,2,0,0,0,0|0,0,2]=4 3655 B12R1.34 CC(C(C#N)Br)c1ccccc1 1P01C0JZ [0,2,0,0,0,0|1,0,1]=4 3656 B12R1.34 CC(C(C#N)Cl)c1ccccc1 1P01EMAW [0,2,0,0,0,0|1,0,1]=4 3657 B12R1.34 CCC(C(=O)c1ccccc1)Br 1P00GWZY [0,2,0,0,0,0|1,0,1]=4 3658 B12R1.34 CCC(C(=O)c1ccccc1)N 1P01EAC5 [0,2,0,0,0,0|0,0,1]=3 3659 B12R1.34 CCC(C(c1ccccc1)C)N 1P019U5I [0,2,0,0,0,0|0,0,0]=2 3660 B12R1.34 CCC(C(c1ccccc1)N)C 1P00IDOC [0,2,0,0,0,0|1,0,0]=3 3661 B12R1.34 CCC(C(c1ccccc1)O)N 1P00ENQI [0,2,0,0,0,0|0,0,0]=2 3662 B12R1.34 CCC(C(c1ccccc1)O)N 1P01AAPQ [0,2,0,0,0,0|0,0,0]=2 3663 B12R1.34 CNC(=O)C(c1ccccc1)N 1P00J2L9 [0,2,0,0,0,0|1,0,1]=4 3664 B12R1.34 CNC(=O)C(c1ccccc1)O 1P01K16T [0,2,0,0,0,0|1,0,1]=4 3665 B12R1.34 CNC(=O)[C@@H](c1ccccc1)N 1P01A3EY [0,2,0,0,0,0|1,0,1]=4 3666 B12R1.34 CNC(=O)[C@H](c1ccccc1)O 1P01K16S [0,2,0,0,0,0|1,0,1]=4 3667 B12R1.34 CNC(C(=C)c1ccccc1)C 1P02898U [0,2,0,0,0,0|0,0,1]=3 3668 B12R1.34 CNC(C(c1ccccc1)C)C 1P01AFP5 [0,2,0,0,0,0|0,0,0]=2 3669 B12R1.34 COC(=O)C(c1ccccc1)Br 1P0030JE [0,2,0,0,0,0|1,0,1]=4 3670 B12R1.34 COC(=O)C(c1ccccc1)C 1P00C790 [0,2,0,0,0,0|1,0,1]=4 3671 B12R1.34 COC(=O)C(c1ccccc1)Cl 1P003S3V [0,2,0,0,0,0|1,0,1]=4 3672 B12R1.34 COC(=O)C(c1ccccc1)F 1P00AMHM [0,2,0,0,0,0|1,0,1]=4 3673 B12R1.34 COC(=O)C(c1ccccc1)N 1P003OHI [0,2,0,0,0,0|1,0,1]=4 3674 B12R1.34 COC(=O)C(c1ccccc1)N 1P00BFQQ [0,2,0,0,0,0|1,0,1]=4 3675 B12R1.34 COC(=O)C(c1ccccc1)O 1P00DEAI [0,2,0,0,0,0|1,0,1]=4 3676 B12R1.34 COC(=O)[C@@H](c1ccccc1)C 1P00I772 [0,2,0,0,0,0|1,0,1]=4 3677 B12R1.34 COC(=O)[C@@H](c1ccccc1)N 1P00I44U [0,2,0,0,0,0|1,0,1]=4 3678 B12R1.34 COC(=O)[C@@H](c1ccccc1)O 1P003PO8 [0,2,0,0,0,0|1,0,1]=4 3679 B12R1.34 COC(=O)[C@H](c1ccccc1)N 1P0039EX [0,2,0,0,0,0|1,0,1]=4 3680 B12R1.34 COC(=O)[C@H](c1ccccc1)O 1P003RNG [0,2,0,0,0,0|1,0,1]=4 3681 B12R1.34 NCC(C(c1ccccc1)C)N 1P01B969 [0,2,0,0,0,0|0,0,0]=2 3682 B12R1.34 NCC(C(c1ccccc1)C)O 1P01B7H0 [0,2,0,0,0,0|1,0,0]=3 3683 B12R1.34 NCC(N(c1ccccc1)C)C 1P00J28K [0,2,0,0,0,0|1,0,0]=3 3684 B12R1.34 NCC(N(c1ccccc1)C)C 1P019NVD [0,2,0,0,0,0|1,0,0]=3 3685 B12R1.34 NNC(=O)C(c1ccccc1)N 1P027VHP [0,2,0,0,0,0|1,0,1]=4 3686 B12R1.34 NNC(=O)C(c1ccccc1)O 1P003RWC [0,2,0,0,0,0|1,0,1]=4 3687 B12R1.34 NNC(=O)[C@@H](c1ccccc1)O 1P003CPR [0,2,0,0,0,0|1,0,1]=4 3688 B12R1.34 OCC(C(=O)c1ccccc1)C 1P001XS0 [0,2,0,0,0,0|1,0,1]=4 3689 B12R1.34 OCC(C(c1ccccc1)C)N 1P01AHV9 [0,2,0,0,0,0|0,0,0]=2 3690 B12R1.34 OCC(C(c1ccccn1)O)N 1P01C0T6 [0,2,0,0,0,0|1,0,0]=3 3691 B12R1.34 OCC(C(c1cccnc1)O)N 1P01C0RF [0,2,0,0,0,0|1,0,0]=3 3692 B12R1.34 OCC(C(c1ccncc1)O)N 1P01C105 [0,2,0,0,0,0|1,0,0]=3 3693 B12R1.34 OC[C@@H]([C@H](c1ccccc1)O)N 1P003BZA [0,2,0,0,0,0|0,0,0]=2 3694 B12R1.34 OC[C@H]([C@@H](c1ccccc1)O)N 1P003BX5 [0,2,0,0,0,0|0,0,0]=2 3695 B12R1.124 CC(=O)C(c1ccccc1Br)Br 1P0292SH [0,2,0,0,0,0|1,0,1]=4 3696 B12R1.124 CC(C(=O)c1ccccc1Br)Br 1P019Z19 [0,2,0,0,0,0|1,0,1]=4 3697 B12R1.124 CC(C(=O)c1ccccc1Br)C 1P002KKP [0,2,0,0,0,0|1,0,1]=4 3698 B12R1.124 CC(C(=O)c1ccccc1C)C 1P0029Q4 [0,2,0,0,0,0|1,0,1]=4 3699 B12R1.124 CC(C(=O)c1ccccc1Cl)Br 1P003H2V [0,2,0,0,0,0|1,0,1]=4 3700 B12R1.124 CC(C(=O)c1ccccc1Cl)C 1P00IA4A [0,2,0,0,0,0|1,0,1]=4 3701 B12R1.124 CC(C(=O)c1ccccc1F)Br 1P00AXBO [0,2,0,0,0,0|1,0,1]=4 3702 B12R1.124 CC(C(=O)c1ccccc1F)C 1P01FQ85 [0,2,0,0,0,0|1,0,1]=4 3703 B12R1.124 CC(C(=O)c1ccccc1N)C 1P007LR5 [0,2,0,0,0,0|1,0,1]=4 3704 B12R1.124 CC(C(c1ccccc1C)N)C 1P00H3U4 [0,2,0,0,0,0|1,0,0]=3 3705 B12R1.124 CC(C(c1ccccc1C)O)C 1P01AVHH [0,2,0,0,0,0|1,0,0]=3 3706 B12R1.124 CC(C(c1ccccc1Cl)C)N 1P01EINU [0,2,0,0,0,0|0,0,0]=2 3707 B12R1.124 CC(C(c1ccccc1Cl)N)C 1P01AIZL [0,2,0,0,0,0|1,0,0]=3 3708 B12R1.124 CC(C(c1ccccc1F)N)O 1P01C4Q9 [0,2,0,0,0,0|1,0,0]=3 3709 B12R1.124 CC(C(c1ccccc1F)O)N 1P019TD7 [0,2,0,0,0,0|0,0,0]=2 3710 B12R1.124 CC(C(c1ccccc1N)N)C 1P01A3I1 [0,2,0,0,0,0|1,0,0]=3 3711 B12R1.124 CC(C(c1ccccc1N)O)C 1P01A3G6 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.124 CC(C(c1ncccc1C)N)C 1P01AITD [0,2,0,0,0,0|2,0,0]=4 3713 B12R1.124 CC(N(c1ccccc1N)C)C 1P01BHXK [0,2,0,0,0,0|2,0,0]=4 3714 B12R1.124 CN([C@H](c1ccccc1[S-])C)C 1P028J2E [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.124 FC([C@@H](c1ccccc1F)O)F 1P0286PK [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.124 FC([C@H](c1ccccc1F)O)F 1P028GCH [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AE8U [0,2,0,0,0,0|1,0,1]=4 3718 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AJXQ [0,2,0,0,0,0|1,0,1]=4 3719 B12R1.225 Brc1cccc(c1)C(=O)C(C)C 1P006XNG [0,2,0,0,0,0|1,0,1]=4 3720 B12R1.225 CC(=O)C(c1cccc(c1)Cl)O 1P004PQB [0,2,0,0,0,0|1,0,1]=4 3721 B12R1.225 CC(C(c1cccc(c1)Cl)O)N 1P01BB2A [0,2,0,0,0,0|0,0,0]=2 3722 B12R1.225 CC(C(c1cccc(c1)F)O)N 1P019UH2 [0,2,0,0,0,0|0,0,0]=2 3723 B12R1.225 CC(C(c1cncc(c1)F)N)C 1P0285ED [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.225 CC([C@@H](c1cccc(c1)Br)N)C 1P01JV63 [0,2,0,0,0,0|1,0,0]=3 3725 B12R1.225 CC([C@H](c1cccc(c1)Br)N)C 1P01DUNA [0,2,0,0,0,0|1,0,0]=3 3726 B12R1.225 CC([C@H](c1cccc(c1)Cl)N)C 1P009GUD [0,2,0,0,0,0|1,0,0]=3 3727 B12R1.225 CC([C@H](c1cccc(c1)Cl)N)C 1P00A09L [0,2,0,0,0,0|1,0,0]=3 3728 B12R1.225 CN(C(c1cccc(c1)O)C)C 1P00HB4N [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.225 CN([C@@H](c1cccc(c1)O)C)C 1P004RUZ [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.225 CN([C@H](c1cccc(c1)O)C)C 1P001B70 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N 1P01CCPX [0,2,0,0,0,0|0,0,0]=2 3732 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1P01BW19 [0,2,0,0,0,0|1,0,1]=4 3733 B12R1.225 Clc1cccc(c1)C(=O)C(Br)C 1P00383U [0,2,0,0,0,0|1,0,1]=4 3734 B12R1.225 Clc1cccc(c1)C(=O)C(N)C 1P01XF2C [0,2,0,0,0,0|0,0,1]=3 3735 B12R1.225 FC(C(c1cccc(c1)Br)C)F 1P01B4FC [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.225 FC(C(c1cccc(c1)Br)O)F 1P028WH1 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.225 FC(C(c1cccc(c1)Cl)N)F 1P01BIE6 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.225 FC([C@@H](c1cccc(c1)F)O)F 1P028KAL [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.225 FC([C@H](c1cccc(c1)Cl)O)F 1P028L5P [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.225 FC([C@H](c1cccc(c1)F)O)F 1P028LCA [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.225 Fc1cccc(c1)C(=O)C(Br)C 1P00GV7X [0,2,0,0,0,0|1,0,1]=4 3742 B12R1.225 Ic1cccc(c1)C(=O)C(C)C 1P0284GL [0,2,0,0,0,0|1,0,1]=4 3743 B12R1.225 NC(=O)C(c1cccc(c1)Br)Cl 1P01A3ZO [0,2,0,0,0,0|1,0,1]=4 3744 B12R1.225 NC(=O)C(c1cccc(c1)Br)N 1P01A8CC [0,2,0,0,0,0|1,0,1]=4 3745 B12R1.225 NC(=O)C(c1cccc(c1)F)N 1P01KKY3 [0,2,0,0,0,0|1,0,1]=4 3746 B12R1.225 NC(c1nccc(c1)Cl)C(C)C 1P01XD4L [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.225 NC(c1nccc(c1)Cl)C(C)C 1P01XDI7 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.225 Nc1cccc(c1)C(=O)C(C)C 1P01EKBB [0,2,0,0,0,0|1,0,1]=4 3749 B12R1.225 Nc1cccc(c1)N(C(C)C)C 1P01AHL3 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.253 CC(=O)C(c1ccccc1)(C)C 1P0056UC [0,2,0,0,0,0|1,0,1]=4 3751 B12R1.253 CC(=O)C(c1ccccc1)(F)F 1P00CFP5 [0,2,0,0,0,0|1,0,1]=4 3752 B12R1.253 CC(=O)C(c1ccccc1)(N)C 1P028J81 [0,2,0,0,0,0|1,0,1]=4 3753 B12R1.253 CC(C(c1ccccc1)(C)C)N 1P00DOAO [0,2,0,0,0,0|0,0,0]=2 3754 B12R1.253 CC(C(c1ccccc1)(F)F)N 1P01C0WR [0,2,0,0,0,0|0,0,0]=2 3755 B12R1.253 CC(S(=O)(=O)c1ccccc1)C 1P00CJWG [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.253 C[C@H]([C@](c1ccccc1)(O)C)N 1P01PPQY [0,2,0,0,0,0|0,0,0]=2 3757 B12R1.253 NC(=N)C(c1ccccc1)(O)C 1P01ADJ8 [0,2,0,0,0,0|1,0,1]=4 3758 B12R1.253 NC(=O)C(c1ccccc1)(C)C 1P005CUN [0,2,0,0,0,0|1,0,1]=4 3759 B12R1.253 NC(=O)C(c1ccccc1)(F)F 1P007AJ3 [0,2,0,0,0,0|1,0,1]=4 3760 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A0G7 [0,2,0,0,0,0|1,0,1]=4 3761 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A8W6 [0,2,0,0,0,0|1,0,1]=4 3762 B12R1.253 NC(=S)C(c1ccccc1)(C)C 1P01A4KU [0,2,0,0,0,0|1,0,1]=4 3763 B12R1.478 BrCC(c1ccccc1)C(C)C 1P01BM1R [0,2,0,0,0,0|1,0,0]=3 3764 B12R1.478 CC(C(c1ccccc1)C#N)C 1P003HY8 [0,2,0,0,0,0|1,0,0]=3 3765 B12R1.478 CC(N(c1ccccc1)N=O)C 1P002PE6 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.478 CCC(c1ccccc1)C(=O)N 1P0037CE [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.478 CN(C(c1ccccc1)C#C)C 1P028BGJ [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.478 CN(C(c1ccccc1)C#N)C 1P003O7T [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.478 CNC(c1ccccc1)C(C)C 1P01AI8F [0,2,0,0,0,0|1,0,0]=3 3770 B12R1.478 CNC(c1ccccc1)C(N)C 1P028JX4 [0,2,0,0,0,0|0,0,0]=2 3771 B12R1.478 CNC(c1cccnc1)C(C)C 1P01AAT2 [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.478 CNC(c1cccnc1)C(C)C 1P028B7B [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.478 COC(c1ccccc1)C(=O)C 1P008OMN [0,2,0,0,0,0|1,0,1]=4 3774 B12R1.478 N#CC(c1ccccc1)C(=O)N 1P005PSU [0,2,0,0,0,0|1,0,1]=4 3775 B12R1.478 NCC(c1ccccc1)C(F)F 1P028ODK [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.478 NCC(c1ccccc1)N(C)C 1P003C24 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.478 NCC(c1cccnc1)C(C)C 1P019U8F [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.478 NC[C@@H](c1ccccc1)N(C)C 1P02818H [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.478 NC[C@H](c1ccccc1)C(C)C 1P0032XS [0,2,0,0,0,0|1,0,0]=3 3780 B12R1.478 NC[C@H](c1ccccc1)N(C)C 1P020MLH [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.478 O=CC(c1ccccc1)C(C)C 1P007NZ9 [0,2,0,0,0,0|1,0,0]=3 3782 B12R1.478 OCC(c1ccccc1)C(=O)N 1P00EM6X [0,2,0,0,0,0|1,0,1]=4 3783 B12R1.478 OCC(c1ccccc1)C(C)C 1P0288C7 [0,2,0,0,0,0|1,0,0]=3 3784 B12R1.564 BrC(C(C)(C)C)c1ccccc1 1P01EM8R [0,2,0,0,0,0|1,0,0]=3 3785 B12R1.564 BrC(C(F)(F)F)c1ccccc1 1P00DM1K [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.564 CC(C(C)(C)C)c1ccccc1 1P002GLK [0,2,0,0,0,0|1,0,0]=3 3787 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P00DIQQ [0,2,0,0,0,0|0,0,0]=2 3788 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P01DWYN [0,2,0,0,0,0|0,0,0]=2 3789 B12R1.564 CC(C(O)(C)C)c1ccccc1 1P00CZW7 [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.564 CC(S(=O)(=O)N)c1ccccc1 1P01AK23 [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.564 C[C@@H](S(=O)(=O)N)c1ccccc1 1P0289IF [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.564 C[C@H](S(=O)(=O)N)c1ccccc1 1P0289EE [0,2,0,0,0,0|2,0,0]=4 3793 B12R1.564 ClC(C(C)(C)C)c1ccccc1 1P001YRW [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.564 ClC(C(F)(F)C)c1ccccc1 1P028DKC [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.564 ClP(C(C)(C)C)c1ccccc1 1P003P9B [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.564 FC(C(N)(C)C)c1ccccc1 1P01EINX [0,2,0,0,0,0|0,0,0]=2 3797 B12R1.564 NC(C(C)(C)C)c1ccccc1 1P003FS0 [0,2,0,0,0,0|1,0,0]=3 3798 B12R1.564 NC(C(C)(C)C)c1ccccc1 1P01KKWU [0,2,0,0,0,0|1,0,0]=3 3799 B12R1.564 NC(C(C)(C)C)c1ccccn1 1P024FYX [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.564 NC(C(F)(F)C)c1ccccc1 1P028HVC [0,2,0,0,0,0|1,0,0]=3 3801 B12R1.564 NC(C(F)(F)F)c1ccccc1 1P0012F9 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.564 NC(C(F)(F)F)c1ccccc1 1P003FNM [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.564 NC(C(O)(C)C)c1ccccc1 1P028IVZ [0,2,0,0,0,0|1,0,0]=3 3804 B12R1.564 NC(P(=O)(C)C)c1ccccc1 1P028YV2 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.564 N[C@@H](C(C)(C)C)c1ccccc1 1P0095XW [0,2,0,0,0,0|1,0,0]=3 3806 B12R1.564 N[C@@H](C(F)(F)F)c1ccccc1 1P002IT9 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.564 N[C@@H](C(F)(F)F)c1ccccc1 1P00BDAW [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.564 N[C@@H](C(O)(C)C)c1ccccc1 1P01SH24 [0,2,0,0,0,0|1,0,0]=3 3809 B12R1.564 N[C@@H](P(=O)(C)C)c1ccccc1 1P027ZN3 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.564 N[C@H](C(C)(C)C)c1ccccc1 1P002F75 [0,2,0,0,0,0|1,0,0]=3 3811 B12R1.564 N[C@H](C(F)(F)F)c1ccccc1 1P000YIL [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.564 N[C@H](C(F)(F)F)c1ccccc1 1P00EAFD [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.564 N[C@H](C(O)(C)C)c1ccccc1 1P001YGJ [0,2,0,0,0,0|1,0,0]=3 3814 B12R1.564 N[C@H](P(=O)(C)C)c1ccccc1 1P028L23 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.564 O=C(C(Br)(C)C)c1ccccc1 1P003H31 [0,2,0,0,0,0|1,0,1]=4 3816 B12R1.564 O=C(C(C)(C)C)c1ccccc1 1P003FO3 [0,2,0,0,0,0|1,0,1]=4 3817 B12R1.564 O=C(C(F)(F)C)c1ccccc1 1P005W6A [0,2,0,0,0,0|1,0,1]=4 3818 B12R1.564 O=C(C(N)(C)C)c1ccccc1 1P00ICEO [0,2,0,0,0,0|0,0,1]=3 3819 B12R1.564 O=C(C(O)(C)C)c1ccccc1 1P0033SU [0,2,0,0,0,0|1,0,1]=4 3820 B12R1.564 OC(C(Cl)(Cl)Cl)c1ccccc1 1P002CYU [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.564 OC(C(F)(F)C)c1ccccc1 1P027U3H [0,2,0,0,0,0|1,0,0]=3 3822 B12R1.564 OC(C(F)(F)F)c1ccccc1 1P003F2M [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.564 OC(C(N)(C)C)c1ccccc1 1P00COTA [0,2,0,0,0,0|0,0,0]=2 3824 B12R1.564 O[C@@H](C(F)(F)F)c1ccccc1 1P003CJY [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.564 O[C@H](C(F)(F)F)c1ccccc1 1P003CYA [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.32 BrCCN(Cc1ccccc1)C 1P01BERH [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.32 C=CCC(Cc1ccccc1)N 1P00COKP [0,2,0,0,0,0|0,0,0]=2 3828 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [0,2,0,0,0,0|1,0,0]=3 3829 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [0,2,0,0,0,0|0,0,1]=3 3830 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [0,2,0,0,0,0|1,0,1]=4 3831 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [0,2,0,0,0,0|0,0,0]=2 3832 B12R1.32 CCCC(Nc1ccccc1)C 1P019XTJ [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [0,2,0,0,0,0|1,0,1]=4 3834 B12R1.32 CN(Cc1ccccc1)CC#C 1P00313U [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.32 CN(Cc1ccccc1)CC#C 1P00DE8W [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.32 CN(Cc1ccccc1)CC#N 1P00HXAU [0,2,0,0,0,0|1,0,1]=4 3837 B12R1.32 CNCC(=Cc1ccccc1)C 1P01BE9U [0,2,0,0,0,0|0,0,2]=4 3838 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [0,2,0,0,0,0|0,0,0]=2 3839 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [0,2,0,0,0,0|0,0,0]=2 3840 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [0,2,0,0,0,0|1,0,0]=3 3841 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [0,2,0,0,0,0|1,0,1]=4 3842 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [0,2,0,0,0,0|0,0,0]=2 3843 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [0,2,0,0,0,0|0,0,0]=2 3844 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [0,2,0,0,0,0|0,0,0]=2 3845 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [0,2,0,0,0,0|0,0,0]=2 3846 B12R1.32 ClCCN(Cc1ccccc1)C 1P002NY3 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.32 N#CCC(=O)Cc1ccccc1 1P002G4U [0,2,0,0,0,0|1,0,1]=4 3848 B12R1.32 NC(Cc1ccccc1)CC#C 1P01BAK1 [0,2,0,0,0,0|0,0,0]=2 3849 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [0,2,0,0,0,0|0,0,0]=2 3850 B12R1.32 NCCN(Cc1ccccc1)C 1P0039QI [0,2,0,0,0,0|1,0,0]=3 3851 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [0,2,0,0,0,0|0,0,0]=2 3853 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [0,2,0,0,0,0|1,0,1]=4 3855 B12R1.32 SCCN(Cc1ccccc1)C 1P01BGFN [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.50 C#CC(Cc1cccc(c1)F)N 1P01FI1L [0,2,0,0,0,0|0,0,1]=3 3857 B12R1.50 CCC(=O)Cc1cccc(c1)C 1P01JMHJ [0,2,0,0,0,0|1,0,1]=4 3858 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1P01DUPB [0,2,0,0,0,0|1,0,1]=4 3859 B12R1.50 CCC(=O)Cc1cccc(c1)F 1P01EX3C [0,2,0,0,0,0|1,0,1]=4 3860 B12R1.50 CCC(Oc1cccc(c1)N)C 1P00FA91 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.50 CCC(Oc1cccc(c1)N)C 1P01AMF2 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.50 CNC(=O)Cc1cccc(c1)N 1P00EEFC [0,2,0,0,0,0|1,0,1]=4 3863 B12R1.50 CNC(=O)Cc1cccc(c1)O 1P01AD44 [0,2,0,0,0,0|1,0,1]=4 3864 B12R1.50 COC(=O)Cc1cccc(c1)Br 1P001N5E [0,2,0,0,0,0|1,0,1]=4 3865 B12R1.50 COC(=O)Cc1cccc(c1)C 1P00DDQC [0,2,0,0,0,0|1,0,1]=4 3866 B12R1.50 COC(=O)Cc1cccc(c1)Cl 1P003S8I [0,2,0,0,0,0|1,0,1]=4 3867 B12R1.50 COC(=O)Cc1cccc(c1)F 1P003BEE [0,2,0,0,0,0|1,0,1]=4 3868 B12R1.50 COC(=O)Cc1cccc(c1)I 1P00I9GC [0,2,0,0,0,0|1,0,1]=4 3869 B12R1.50 COC(=O)Cc1cccc(c1)N 1P001MZJ [0,2,0,0,0,0|1,0,1]=4 3870 B12R1.50 COC(=O)Cc1cccc(c1)N 1P00394T [0,2,0,0,0,0|1,0,1]=4 3871 B12R1.50 COC(=O)Cc1cccc(c1)O 1P003S1J [0,2,0,0,0,0|1,0,1]=4 3872 B12R1.50 ClCC(=O)Cc1cccc(c1)C 1P00JTRZ [0,2,0,0,0,0|1,0,1]=4 3873 B12R1.50 ClCC(=O)Cc1cccc(c1)Cl 1P00JTRW [0,2,0,0,0,0|1,0,1]=4 3874 B12R1.50 ClCC(=O)Cc1cccc(c1)F 1P00JTSE [0,2,0,0,0,0|1,0,1]=4 3875 B12R1.50 N#CC(Cc1cccc(c1)Br)F 1P0286B8 [0,2,0,0,0,0|1,0,1]=4 3876 B12R1.50 NCC(=O)Cc1cccc(c1)Br 1P01B8AI [0,2,0,0,0,0|1,0,1]=4 3877 B12R1.50 NCC(Cc1cccc(c1)Br)O 1P0285C3 [0,2,0,0,0,0|1,0,0]=3 3878 B12R1.50 NCC(Cc1cccc(c1)C)O 1P01BK54 [0,2,0,0,0,0|1,0,0]=3 3879 B12R1.50 NCC(Cc1cccc(c1)Cl)O 1P01BAEN [0,2,0,0,0,0|1,0,0]=3 3880 B12R1.50 NCC(Cc1cccc(c1)F)O 1P01AMEE [0,2,0,0,0,0|1,0,0]=3 3881 B12R1.50 NCC(Cc1cccc(c1)O)O 1P028VA8 [0,2,0,0,0,0|1,0,0]=3 3882 B12R1.50 NCC(Oc1cccc(c1)Br)C 1P019SWM [0,2,0,0,0,0|1,0,0]=3 3883 B12R1.50 NCC(Oc1cccc(c1)C)C 1P019SIE [0,2,0,0,0,0|1,0,0]=3 3884 B12R1.50 NCC(Oc1cccc(c1)Cl)C 1P019SLO [0,2,0,0,0,0|1,0,0]=3 3885 B12R1.50 NCC(Oc1cccc(c1)F)C 1P019SMA [0,2,0,0,0,0|1,0,0]=3 3886 B12R1.50 NNC(=N)Cc1cccc(c1)Br 1P01A6W3 [0,2,0,0,0,0|1,0,1]=4 3887 B12R1.50 NNC(=O)Cc1cccc(c1)Cl 1P00FAOR [0,2,0,0,0,0|1,0,1]=4 3888 B12R1.50 NNC(=O)Cc1cccc(c1)F 1P00IVB3 [0,2,0,0,0,0|1,0,1]=4 3889 B12R1.50 NNC(=O)Cc1cccc(c1)O 1P01JTZ0 [0,2,0,0,0,0|1,0,1]=4 3890 B12R1.50 OCC(Cc1cccc(c1)Br)N 1P01JKRR [0,2,0,0,0,0|0,0,0]=2 3891 B12R1.50 OCC(Cc1cccc(c1)C)N 1P00CNDL [0,2,0,0,0,0|0,0,0]=2 3892 B12R1.50 OCC(Cc1cccc(c1)C)N 1P01B1TC [0,2,0,0,0,0|0,0,0]=2 3893 B12R1.50 OCC(Cc1cccc(c1)Cl)N 1P00CM2L [0,2,0,0,0,0|0,0,0]=2 3894 B12R1.50 OCC(Cc1cccc(c1)F)N 1P00CMWB [0,2,0,0,0,0|0,0,0]=2 3895 B12R1.50 OCC(Cc1cccc(c1)N)F 1P0283J3 [0,2,0,0,0,0|1,0,0]=3 3896 B12R1.50 OCC(Cc1cccc(n1)Br)N 1P028BYK [0,2,0,0,0,0|1,0,0]=3 3897 B12R1.50 OCC(Cc1cccc(n1)C)N 1P028D8A [0,2,0,0,0,0|1,0,0]=3 3898 B12R1.50 OC[C@@H](Cc1cccc(c1)F)N 1P00GAOU [0,2,0,0,0,0|0,0,0]=2 3899 B12R1.50 OC[C@H](Cc1cccc(c1)F)N 1P01JKYV [0,2,0,0,0,0|0,0,0]=2 3900 B12R1.50 ONC(=N)Cc1cccc(c1)Cl 1P019F80 [0,2,0,0,0,0|1,0,1]=4 3901 B12R1.50 ONC(=N)Cc1cccc(c1)F 1P00IEWL [0,2,0,0,0,0|1,0,1]=4 3902 B12R1.50 ONC(=O)Cc1cccc(c1)F 1P019XAV [0,2,0,0,0,0|1,0,1]=4 3903 B12R1.50 O\N=C(\Cc1cccc(c1)Br)/N 1P0098VC [0,2,0,0,0,0|1,0,1]=4 3904 B12R1.50 O\N=C(\Cc1cccc(c1)Cl)/N 1P00AUYY [0,2,0,0,0,0|1,0,1]=4 3905 B12R1.118 BrCC(Cc1ccccc1)OC 1P000H3A [0,2,0,0,0,0|1,0,0]=3 3906 B12R1.118 CCC(Cc1ccccc1)NC 1P00G3TS [0,2,0,0,0,0|0,0,0]=2 3907 B12R1.118 CCC(Cc1ccccc1)NC 1P00GPY7 [0,2,0,0,0,0|0,0,0]=2 3908 B12R1.118 CCC(Nc1ccccc1)CO 1P01A9VK [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.118 CCC(Oc1ccccc1)C#N 1P02877L [0,2,0,0,0,0|1,0,1]=4 3910 B12R1.118 CCC(Oc1ccccc1)CN 1P01AI3J [0,2,0,0,0,0|1,0,0]=3 3911 B12R1.118 CCC(Oc1ccccc1)CN 1P028YBU [0,2,0,0,0,0|1,0,0]=3 3912 B12R1.118 CCC(Sc1ccccc1)C#N 1P01EK8N [0,2,0,0,0,0|1,0,1]=4 3913 B12R1.118 CCN(Cc1ccccc1)CC 1P0035RS [0,2,0,0,0,0|2,0,0]=4 3914 B12R1.118 COC(Cc1ccccc1)C#N 1P01ANVY [0,2,0,0,0,0|0,0,1]=3 3915 B12R1.118 COC(Cc1ccccc1)C=O 1P01AV5H [0,2,0,0,0,0|1,0,0]=3 3916 B12R1.118 COC(Cc1ccccc1)OC 1P0003VY [0,2,0,0,0,0|1,0,0]=3 3917 B12R1.118 COC([SiH2]c1ccccc1)OC 1P002ZVS [0,2,0,0,0,0|1,1,0]=4 3918 B12R1.118 NCC(Cc1ccccc1)CO 1P00FICE [0,2,0,0,0,0|0,0,0]=2 3919 B12R1.118 NCC(Cc1ccccc1)CO 1P028WXN [0,2,0,0,0,0|0,0,0]=2 3920 B12R1.118 NCC(Cc1ccccc1)CS 1P028YTH [0,2,0,0,0,0|0,0,0]=2 3921 B12R1.118 NCC(Cc1ccccc1)NC 1P01A6YF [0,2,0,0,0,0|0,0,0]=2 3922 B12R1.118 NCC(Cc1ccccc1)OC 1P00H2E2 [0,2,0,0,0,0|0,0,0]=2 3923 B12R1.118 NCC(Cc1ccccc1)OC 1P028CXK [0,2,0,0,0,0|0,0,0]=2 3924 B12R1.118 NCC(Cc1ccccn1)CO 1P019YSA [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.118 NCC(Cc1cccnc1)CO 1P01BEA8 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.118 NCC(Cc1cccnc1)CO 1P01BEB7 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.118 NCC(Cc1ccncc1)CO 1P01BHDV [0,2,0,0,0,0|1,0,0]=3 3928 B12R1.118 NNC(=NC)Nc1ccccc1 1P01A50F [0,2,0,0,0,0|1,0,1]=4 3929 B12R1.118 OCC(Cc1ccccc1)C#N 1P00I5F3 [0,2,0,0,0,0|0,0,1]=3 3930 B12R1.118 OCC(Cc1ccccc1)CO 1P002S8P [0,2,0,0,0,0|1,0,0]=3 3931 B12R1.118 OCC(Cc1ccccc1)NC 1P00GTMT [0,2,0,0,0,0|0,0,0]=2 3932 B12R1.118 OCC(Cc1ccccc1)OC 1P01AUXJ [0,2,0,0,0,0|1,0,0]=3 3933 B12R1.118 OC[C@H](Cc1ccccc1)NC 1P004YA0 [0,2,0,0,0,0|0,0,0]=2 3934 B12R1.194 C#CC(Cc1ccccc1)(O)C 1P01B65V [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.194 CCC(Cc1ccccc1)(O)C 1P003I26 [0,2,0,0,0,0|1,0,0]=3 3936 B12R1.194 CNS(=O)(=O)Cc1ccccc1 1P019W0S [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.194 N#CC(Cc1ccccc1)(C)C 1P00I7KH [0,2,0,0,0,0|0,0,1]=3 3938 B12R1.194 N#CC(Nc1ccccc1)(C)C 1P007PJS [0,2,0,0,0,0|1,0,1]=4 3939 B12R1.194 NCC(Cc1ccccc1)(C)C 1P01AJMU [0,2,0,0,0,0|0,0,0]=2 3940 B12R1.194 NCC(Oc1ccccc1)(C)C 1P00CHMB [0,2,0,0,0,0|1,0,0]=3 3941 B12R1.194 NCC(Oc1ccccc1)(C)C 1P01AI80 [0,2,0,0,0,0|1,0,0]=3 3942 B12R1.194 NCC(Oc1ccccc1)(F)F 1P028SC5 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.194 NNS(=O)(=O)Cc1ccccc1 1P007ALD [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.194 O=CC(Cc1ccccc1)(C)C 1P0003L9 [0,2,0,0,0,0|1,0,0]=3 3945 B12R1.194 O=CC(Oc1ccccc1)(C)C 1P01AV4D [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.194 OCC(Cc1ccccc1)(N)C 1P027X9I [0,2,0,0,0,0|0,0,0]=2 3947 B12R1.194 OCC(Cc1ccccn1)(N)C 1P028CIU [0,2,0,0,0,0|1,0,0]=3 3948 B12R1.194 OCC(Oc1ccccc1)(C)C 1P01IG92 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.371 CCC(=O)Cc1ccccc1Br 1P019RG4 [0,2,0,0,0,0|1,0,1]=4 3950 B12R1.371 CCC(=O)Cc1ccccc1C 1P01HPJJ [0,2,0,0,0,0|1,0,1]=4 3951 B12R1.371 CCC(=O)Cc1ccccc1F 1P01EUOT [0,2,0,0,0,0|1,0,1]=4 3952 B12R1.371 CCC(Cc1ccccc1Br)N 1P01A0A9 [0,2,0,0,0,0|0,0,0]=2 3953 B12R1.371 CCC(Oc1ccccc1N)C 1P00DDQ2 [0,2,0,0,0,0|2,0,0]=4 3954 B12R1.371 CNC(=O)Cc1ccccc1Cl 1P00IKSY [0,2,0,0,0,0|1,0,1]=4 3955 B12R1.371 CNC(=O)Cc1ccccc1N 1P00C8RJ [0,2,0,0,0,0|1,0,1]=4 3956 B12R1.371 CNC(Cc1ccccc1C)C 1P01BFBU [0,2,0,0,0,0|0,0,0]=2 3957 B12R1.371 CNC(Cc1ccccc1F)C 1P00AQR6 [0,2,0,0,0,0|0,0,0]=2 3958 B12R1.371 COC(=O)Cc1ccccc1Br 1P00EBRK [0,2,0,0,0,0|1,0,1]=4 3959 B12R1.371 COC(=O)Cc1ccccc1C 1P003SIA [0,2,0,0,0,0|1,0,1]=4 3960 B12R1.371 COC(=O)Cc1ccccc1Cl 1P003S4A [0,2,0,0,0,0|1,0,1]=4 3961 B12R1.371 COC(=O)Cc1ccccc1F 1P00393Q [0,2,0,0,0,0|1,0,1]=4 3962 B12R1.371 COC(=O)Cc1ccccc1I 1P00IC25 [0,2,0,0,0,0|1,0,1]=4 3963 B12R1.371 COC(=O)Cc1ccccc1N 1P00C63Y [0,2,0,0,0,0|1,0,1]=4 3964 B12R1.371 COC(=O)Cc1ccccc1N 1P00DG0W [0,2,0,0,0,0|1,0,1]=4 3965 B12R1.371 COC(=O)Cc1ccccc1O 1P0037ZQ [0,2,0,0,0,0|1,0,1]=4 3966 B12R1.371 ClCC(=O)Cc1ccccc1Br 1P00JTSB [0,2,0,0,0,0|1,0,1]=4 3967 B12R1.371 ClCC(=O)Cc1ccccc1C 1P00JTS6 [0,2,0,0,0,0|1,0,1]=4 3968 B12R1.371 ClCC(=O)Cc1ccccc1Cl 1P000YKD [0,2,0,0,0,0|1,0,1]=4 3969 B12R1.371 ClCC(=O)Cc1ccccc1F 1P00JTRX [0,2,0,0,0,0|1,0,1]=4 3970 B12R1.371 N#CC(Oc1ccccc1N)C 1P01A2IO [0,2,0,0,0,0|1,0,1]=4 3971 B12R1.371 NC(CO)Cc1cccnc1Cl 1P028WTU [0,2,0,0,0,0|1,0,0]=3 3972 B12R1.371 NC(CO)Cc1cccnc1F 1P028Z2X [0,2,0,0,0,0|1,0,0]=3 3973 B12R1.371 NCC(Cc1ccccc1Br)O 1P027N7B [0,2,0,0,0,0|1,0,0]=3 3974 B12R1.371 NCC(Cc1ccccc1C)O 1P01AM13 [0,2,0,0,0,0|1,0,0]=3 3975 B12R1.371 NCC(Oc1ccccc1Br)C 1P019UHV [0,2,0,0,0,0|1,0,0]=3 3976 B12R1.371 NCC(Oc1ccccc1C)C 1P019SMY [0,2,0,0,0,0|1,0,0]=3 3977 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00GSHM [0,2,0,0,0,0|1,0,0]=3 3978 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00HA82 [0,2,0,0,0,0|1,0,0]=3 3979 B12R1.371 NCC(Oc1ccccc1F)C 1P019SP8 [0,2,0,0,0,0|1,0,0]=3 3980 B12R1.371 NNC(=O)Cc1ccccc1C 1P00JDOV [0,2,0,0,0,0|1,0,1]=4 3981 B12R1.371 NNC(=O)Cc1ccccc1Cl 1P00BCNA [0,2,0,0,0,0|1,0,1]=4 3982 B12R1.371 NNC(=O)Cc1ccccc1F 1P0097A6 [0,2,0,0,0,0|1,0,1]=4 3983 B12R1.371 NNC(=O)Cc1ccccc1O 1P01B60T [0,2,0,0,0,0|1,0,1]=4 3984 B12R1.371 O=CC(Cc1ccccc1Cl)Cl 1P01BY6U [0,2,0,0,0,0|1,0,1]=4 3985 B12R1.371 O=NN(Cc1ccccc1C)C 1P00F62Y [0,2,0,0,0,0|1,0,1]=4 3986 B12R1.371 OCC(Cc1ccccc1Br)N 1P01JKRL [0,2,0,0,0,0|0,0,0]=2 3987 B12R1.371 OCC(Cc1ccccc1C)N 1P00CNDK [0,2,0,0,0,0|0,0,0]=2 3988 B12R1.371 OCC(Cc1ccccc1Cl)N 1P00CM2K [0,2,0,0,0,0|0,0,0]=2 3989 B12R1.371 OCC(Cc1ccccc1Cl)N 1P028B27 [0,2,0,0,0,0|0,0,0]=2 3990 B12R1.371 OCC(Cc1ccccc1F)N 1P002022 [0,2,0,0,0,0|0,0,0]=2 3991 B12R1.371 OC[C@H](Cc1ccccc1C)N 1P01JM47 [0,2,0,0,0,0|0,0,0]=2 3992 B12R1.371 OC[C@H](Cc1ccccc1Cl)N 1P0096P7 [0,2,0,0,0,0|0,0,0]=2 3993 B12R1.371 OC[C@H](Cc1ccccc1F)N 1P00ASQ3 [0,2,0,0,0,0|0,0,0]=2 3994 B12R1.371 ON=C(Cc1ccccc1Cl)N 1P019VPD [0,2,0,0,0,0|1,0,1]=4 3995 B12R1.371 ON=C(Cc1ccccc1F)N 1P01BUD3 [0,2,0,0,0,0|1,0,1]=4 3996 B12R1.371 ONC(=N)Cc1ccccc1Br 1P00IGDR [0,2,0,0,0,0|1,0,1]=4 3997 B12R1.371 ONC(=N)Cc1ccccc1C 1P00D7H0 [0,2,0,0,0,0|1,0,1]=4 3998 B12R1.371 ONC(=O)Cc1ccccc1C 1P019XJJ [0,2,0,0,0,0|1,0,1]=4 3999 B12R1.371 ONC(=O)Cc1ccccc1Cl 1P019XEQ [0,2,0,0,0,0|1,0,1]=4 4000 B12R1.75 BrCc1ccccc1CC(=O)C 1P01C8VJ [0,2,0,0,0,0|1,0,1]=4 4001 B12R1.75 BrCc1ccccc1CC(C)C 1P01EMEV [0,2,0,0,0,0|1,0,0]=3 4002 B12R1.75 C#Cc1ccccc1CC(=O)N 1P01EN8O [0,2,0,0,0,0|1,0,1]=4 4003 B12R1.75 C=Cc1ccccc1OC(C)C 1P005QXO [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.75 COc1ccccc1CC(=O)N 1P00C6TR [0,2,0,0,0,0|1,0,1]=4 4005 B12R1.75 COc1ccccc1CC(O)C 1P001ODG [0,2,0,0,0,0|1,0,0]=3 4006 B12R1.75 COc1ccccc1C[C@@H](N)C 1P00FI0X [0,2,0,0,0,0|0,0,0]=2 4007 B12R1.75 COc1ccccc1C[C@@H](O)C 1P019RP5 [0,2,0,0,0,0|1,0,0]=3 4008 B12R1.75 COc1ccccc1C[C@H](O)C 1P019RP6 [0,2,0,0,0,0|1,0,0]=3 4009 B12R1.75 COc1ccccc1NC(C)C 1P01AXX9 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.75 CSc1ccccc1CC(=O)C 1P01A6PH [0,2,0,0,0,0|1,0,1]=4 4011 B12R1.75 CSc1ccccc1CC(N)C 1P01EIPG [0,2,0,0,0,0|0,0,0]=2 4012 B12R1.75 ClCc1ccccc1CC(C)C 1P01BJE2 [0,2,0,0,0,0|1,0,0]=3 4013 B12R1.75 N#Cc1ccccc1CC(C)C 1P01BDGM [0,2,0,0,0,0|1,0,0]=3 4014 B12R1.75 N#Cc1ccccc1CN(C)C 1P00DIYE [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.75 N#Cc1ccccc1OC(C)C 1P00H56E [0,2,0,0,0,0|2,0,0]=4 4016 B12R1.75 NCc1ccccc1CN(C)C 1P00DC1P [0,2,0,0,0,0|2,0,0]=4 4017 B12R1.75 NCc1ccccc1OC(C)C 1P003C4A [0,2,0,0,0,0|2,0,0]=4 4018 B12R1.75 O=Cc1ccccc1CC(C)C 1P01DZ3M [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.75 O=Cc1ccccc1NC(C)C 1P01BSX1 [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.75 O=Cc1ccccc1OC(C)C 1P002LZ7 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.75 OCc1ccccc1CC(C)C 1P01BIBO [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.75 OCc1ccccc1CN(C)C 1P019XIK [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.75 OCc1ccccc1NC(C)C 1P008V18 [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.75 OCc1ccccc1OC(C)C 1P008KF3 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.75 OCc1ncccc1CC(C)C 1P028HT7 [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.127 CC(=O)Cc1cc(F)ccc1Br 1P01AIMK [0,2,0,0,0,0|1,0,1]=4 4027 B12R1.127 CC(=O)Cc1cc(F)ccc1F 1P01EROX [0,2,0,0,0,0|1,0,1]=4 4028 B12R1.127 CC(Cc1cc(Br)ccc1F)N 1P01A340 [0,2,0,0,0,0|0,0,0]=2 4029 B12R1.127 CC(Cc1cc(F)ccc1Br)O 1P019U7P [0,2,0,0,0,0|1,0,0]=3 4030 B12R1.127 CC(Cc1cc(O)ccc1O)C 1P003F91 [0,2,0,0,0,0|1,0,0]=3 4031 B12R1.127 CC(Nc1cc(Br)ccc1C)C 1P01AZR7 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.127 CC(Nc1cc(Br)ccc1Cl)C 1P01AVWO [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.127 CC(Nc1cc(Br)ccc1N)C 1P0095JU [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.127 CC(Nc1cc(C)ccc1C)C 1P01AA1C [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.127 CC(Nc1cc(Cl)ccc1C)C 1P01AXXP [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.127 CC(Nc1cc(F)ccc1N)C 1P00HAB3 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.127 CC(Oc1cc(Br)ccc1Cl)C 1P00ELP5 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.127 CC(Oc1cc(Cl)ccc1N)C 1P00IKOX [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.127 CC(Oc1cc(F)ccc1Br)C 1P00EJOP [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.127 CC(Oc1cc(F)ccc1N)C 1P001LIK [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.127 CC(Oc1cc(F)ccc1N)C 1P00C1EL [0,2,0,0,0,0|2,0,0]=4 4042 B12R1.127 CC(Oc1cc(F)ccc1O)C 1P01BDVZ [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.127 CC(Oc1cc(N)ccc1Br)C 1P01C0QD [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.127 CC(Oc1cc(N)ccc1C)C 1P01BEXM [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.127 CC(Oc1cc(N)ccc1F)C 1P01O3Y8 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.127 CC(Oc1cc(O)ccc1N)C 1P01BEP5 [0,2,0,0,0,0|2,0,0]=4 4047 B12R1.127 CC(Sc1cc(Cl)ccc1Cl)C 1P01F0Q3 [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.127 CN(Cc1cc(Br)ccc1F)C 1P002HOQ [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.127 CN(Cc1cc(C)ccc1N)C 1P01AILM [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.127 CN(Cc1cc(Cl)ccc1N)C 1P01DVDW [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.127 CN(Cc1cc(N)ccc1Cl)C 1P01B7YT [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.127 CN(Cc1cc(N)ccc1O)C 1P027L8N [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.127 CN(Cc1cc(O)ccc1Br)C 1P004QV4 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.127 CN(Cc1cc(O)ccc1Cl)C 1P028ZQ7 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.127 CS(=O)Cc1cc(F)ccc1N 1P01AC67 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.127 CS(=O)Cc1cc(N)ccc1Cl 1P01AJA3 [0,2,0,0,0,0|2,0,0]=4 4057 B12R1.127 Cc1ccc(cc1CC(=S)N)C 1P01AC6Q [0,2,0,0,0,0|1,0,1]=4 4058 B12R1.127 NC1=CC(NC(C)C)=C(Br)C=C1 1P01JL96 [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.151 Brc1ccccc1CC(C)(C)C 1P01ELST [0,2,0,0,0,0|1,0,0]=3 4060 B12R1.151 Brc1ccccc1CC(F)(F)F 1P0008QO [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.151 Brc1ccccc1CC(O)(C)C 1P000TBB [0,2,0,0,0,0|1,0,0]=3 4062 B12R1.151 Brc1ccccc1CS(=O)(=O)C 1P002RB8 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.151 Brc1ccccc1CS(=O)(=O)N 1P009MQP [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.151 Brc1ccccc1OC(C)(C)C 1P01FQ05 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.151 CC(Cc1cccnc1N)(C)C 1P01ANPX [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.151 Cc1ccccc1CC(F)(F)F 1P01EUQH [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.151 Cc1ccccc1CC(N)(C)C 1P01AASY [0,2,0,0,0,0|0,0,0]=2 4068 B12R1.151 Cc1ccccc1CS(=O)(=O)N 1P01AGD4 [0,2,0,0,0,0|2,0,0]=4 4069 B12R1.151 Clc1ccccc1CC(F)(F)F 1P00KSJJ [0,2,0,0,0,0|2,0,0]=4 4070 B12R1.151 Clc1ccccc1CC(O)(C)C 1P00F3VX [0,2,0,0,0,0|1,0,0]=3 4071 B12R1.151 Clc1ccccc1CS(=O)(=O)N 1P00H37B [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.151 Fc1ccccc1CC(N)(C)C 1P00769T [0,2,0,0,0,0|0,0,0]=2 4073 B12R1.151 Fc1ccccc1CC(O)(C)C 1P01DZP5 [0,2,0,0,0,0|1,0,0]=3 4074 B12R1.151 Fc1ccccc1CS(=O)(=O)C 1P00BEJD [0,2,0,0,0,0|2,0,0]=4 4075 B12R1.151 Fc1ccccc1CS(=O)(=O)N 1P019LVP [0,2,0,0,0,0|2,0,0]=4 4076 B12R1.151 Ic1ccccc1CS(=O)(=O)N 1P028BQJ [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.151 Nc1ccccc1CC(F)(F)F 1P00EKIL [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.151 Nc1ccccc1CS(=O)(=O)C 1P00I59T [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.151 Nc1ccccc1CS(=O)(=O)N 1P01A69E [0,2,0,0,0,0|2,0,0]=4 4080 B12R1.151 Nc1ccccc1CS(=O)(=O)N 1P01BAYL [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.151 Nc1ccccc1NC(C)(C)C 1P002VT4 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.151 Nc1ccccc1NC(C)(C)C 1P01BHSM [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.151 Nc1ccccc1OC(C)(C)C 1P00HS68 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.151 Nc1ccccc1SC(C)(C)C 1P00DJHT [0,2,0,0,0,0|2,0,0]=4 4085 B12R1.151 Oc1ccccc1CS(=O)(=O)C 1P00I9ZX [0,2,0,0,0,0|2,0,0]=4 4086 B12R1.151 Oc1ccccc1CS(=O)(=O)N 1P028ZW9 [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.151 Oc1ccccc1OC(C)(C)C 1P00BJAX [0,2,0,0,0,0|2,0,0]=4 4088 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1P023RXF [0,2,0,0,0,0|1,0,1]=4 4089 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1P0006WM [0,2,0,0,0,0|1,0,1]=4 4090 B12R1.224 CC(Cc1cccc(c1Br)F)O 1P01A0N3 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.224 CC(Cc1cccc(c1F)Cl)O 1P01BD62 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.224 CC(Cc1cccc(c1F)F)N 1P0283NG [0,2,0,0,0,0|0,0,0]=2 4093 B12R1.224 CC(Nc1cccc(c1I)F)C 1P0293MJ [0,2,0,0,0,0|2,0,0]=4 4094 B12R1.224 CC(Nc1cccc(c1N)F)C 1P019VVS [0,2,0,0,0,0|2,0,0]=4 4095 B12R1.224 CC(Oc1cccc(c1F)Cl)C 1P00HV7S [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.224 CC(Oc1cccc(c1N)C)C 1P0288H1 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.224 Cc1c(CS(=O)C)cccc1N 1P01AJK1 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.224 Cc1cccc(c1Br)CC(=O)N 1P01XCHG [0,2,0,0,0,0|1,0,1]=4 4099 B12R1.1009 CC(=O)Cc1c(Cl)cccc1Cl 1P003GKE [0,2,0,0,0,0|1,0,1]=4 4100 B12R1.1009 CC(Cc1c(Cl)cccc1Cl)N 1P01A3H1 [0,2,0,0,0,0|0,0,0]=2 4101 B12R1.1009 CC(Cc1c(Cl)cccc1Cl)O 1P019Z6J [0,2,0,0,0,0|1,0,0]=3 4102 B12R1.1009 CC(Cc1c(F)cccc1F)N 1P019VVE [0,2,0,0,0,0|0,0,0]=2 4103 B12R1.1009 CC(Nc1c(N)cccc1Cl)C 1P019VVV [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.1009 CC(Oc1c(F)cccc1Cl)C 1P01ETWQ [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.1009 CC(Oc1c(F)cccc1F)C 1P01DO40 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.1009 CC(Oc1c(N)cccc1Cl)C 1P009EBX [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.1009 CC(Sc1c(N)cccc1Cl)C 1P00279J [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.1009 CN(Cc1c(N)cccc1Br)C 1P01DR2R [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.1009 NC(=N)Cc1c(Cl)cccc1Cl 1P00APO9 [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.1009 NC(=N)Cc1c(F)cccc1Cl 1P01A12D [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.1009 NC(=O)Cc1c(Cl)cccc1Cl 1P005BKG [0,2,0,0,0,0|1,0,1]=4 4112 B12R1.1009 NC(=O)Cc1c(F)cccc1Cl 1P01AB0B [0,2,0,0,0,0|1,0,1]=4 4113 B12R1.1009 NC(=O)Cc1c(F)cccc1F 1P0091YL [0,2,0,0,0,0|1,0,1]=4 4114 B12R1.1009 NC(=S)Cc1c(Cl)cccc1Cl 1P0020UG [0,2,0,0,0,0|1,0,1]=4 4115 B12R1.1009 NC(=S)Cc1c(F)cccc1Cl 1P019ML8 [0,2,0,0,0,0|1,0,1]=4 4116 B12R1.101 CC(=O)Cc1cc(F)cc(c1)F 1P01JTCQ [0,2,0,0,0,0|1,0,1]=4 4117 B12R1.101 CC(Cc1cc(C)cc(c1)C)N 1P019SJQ [0,2,0,0,0,0|0,0,0]=2 4118 B12R1.101 CC(Cc1cc(F)cc(c1)Br)O 1P019YRA [0,2,0,0,0,0|1,0,0]=3 4119 B12R1.101 CC(Oc1cc(Br)cc(c1)Br)C 1P00953J [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.101 CC(Oc1cc(C)cc(c1)C)C 1P0031I1 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.101 CC(Oc1cc(F)cc(c1)Br)C 1P00HSRX [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.101 CC(Oc1cc(F)cc(c1)F)C 1P01ETWP [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.101 CC(Oc1cc(N)cc(c1)Br)C 1P019UKG [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.101 CC(Oc1cc(N)cc(c1)Cl)C 1P025GEE [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.101 CC(Oc1cc(N)cc(c1)F)C 1P028LBZ [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.101 CC(Oc1cc(O)cc(c1)Br)C 1P01BECT [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.101 CN(Cc1cc(C)cc(c1)Br)C 1P0095Z6 [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.101 CN(Cc1cc(C)cc(c1)N)C 1P01A3GV [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.101 NC(=S)Cc1cc(F)cc(c1)Cl 1P02902N [0,2,0,0,0,0|1,0,1]=4 4130 B12R1.119 Brc1cccc(c1)CC(F)(F)F 1P001V0L [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.119 Brc1cccc(c1)CC(N)(C)C 1P019Q94 [0,2,0,0,0,0|0,0,0]=2 4132 B12R1.119 Brc1cccc(c1)CC(N)(C)C 1P019QAB [0,2,0,0,0,0|0,0,0]=2 4133 B12R1.119 Brc1cccc(c1)CC(O)(C)C 1P00CNSE [0,2,0,0,0,0|1,0,0]=3 4134 B12R1.119 Brc1cccc(c1)CP(=O)(C)C 1P028VHG [0,2,0,0,0,0|2,0,0]=4 4135 B12R1.119 Brc1cccc(c1)CS(=O)(=O)C 1P00ACSX [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.119 Brc1cccc(c1)CS(=O)(=O)N 1P01BHRE [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.119 Brc1cccc(c1)OC(C)(C)C 1P006OPD [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.119 CC(Cc1cccc(n1)Br)(O)C 1P00608U [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.119 Cc1cccc(c1)CC(O)(C)C 1P00ATN6 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.119 Cc1cccc(c1)CS(=O)(=O)N 1P01AGD3 [0,2,0,0,0,0|2,0,0]=4 4141 B12R1.119 Clc1cccc(c1)CC(O)(C)C 1P01B8R3 [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.119 Clc1cccc(c1)CS(=O)(=O)N 1P0040PK [0,2,0,0,0,0|2,0,0]=4 4143 B12R1.119 Fc1cccc(c1)CC(N)(C)C 1P00769S [0,2,0,0,0,0|0,0,0]=2 4144 B12R1.119 Fc1cccc(c1)CS(=O)(=O)N 1P0067M4 [0,2,0,0,0,0|2,0,0]=4 4145 B12R1.119 Nc1cccc(c1)CC(F)(F)F 1P01AL5T [0,2,0,0,0,0|2,0,0]=4 4146 B12R1.119 Nc1cccc(c1)CS(=O)(=O)C 1P00BHUV [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.119 Nc1cccc(c1)CS(=O)(=O)N 1P00CA6F [0,2,0,0,0,0|2,0,0]=4 4148 B12R1.119 Nc1cccc(c1)OC(C)(C)C 1P0092YE [0,2,0,0,0,0|2,0,0]=4 4149 B12R1.119 Oc1cccc(c1)CS(=O)(=O)N 1P0287S9 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.119 Oc1cccc(c1)OC(C)(C)C 1P01H8PN [0,2,0,0,0,0|2,0,0]=4 4151 B12R1.438 BrCc1cccc(c1)OC(C)C 1P019VDW [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.438 C#Cc1cccc(c1)NC(C)C 1P01AAWF [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.438 COc1cccc(c1)CC(=N)N 1P00ECGZ [0,2,0,0,0,0|1,0,1]=4 4154 B12R1.438 COc1cccc(c1)CC(=O)C 1P002ZVT [0,2,0,0,0,0|1,0,1]=4 4155 B12R1.438 COc1cccc(c1)NC(C)C 1P01A9R6 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.438 ClCc1cccc(c1)CN(C)C 1P0288G7 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.438 ClCc1cccc(c1)OC(C)C 1P002S0Z [0,2,0,0,0,0|2,0,0]=4 4158 B12R1.438 N#Cc1cccc(c1)CC(=O)C 1P00FCFA [0,2,0,0,0,0|1,0,1]=4 4159 B12R1.438 N#Cc1cccc(c1)NC(C)C 1P01A945 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.438 N#Cc1cccc(c1)OC(C)C 1P00CLSJ [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.438 NCc1cccc(c1)CN(C)C 1P002PAR [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.438 NCc1cccc(c1)CN(C)C 1P00J1WX [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.438 NCc1cccc(c1)NC(C)C 1P019RQU [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.438 O=Cc1cccc(c1)CN(C)C 1P00595N [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.438 O=Cc1cccc(c1)OC(C)C 1P008PR6 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.438 OCc1cccc(c1)CN(C)C 1P019WQY [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.438 OCc1cccc(c1)OC(C)C 1P002S10 [0,2,0,0,0,0|2,0,0]=4 4168 B10R1.66 CC(CCc1ccco1)N 1P005SKI [0,0,1,1,0,0|1,0,1]=4 4169 B10R2.6 C1CC1c2ccccc2 1P008EMK [1,0,0,1,0,0|0,0,0]=2 4170 B10R2.6 C1CC1c2ccncc2 1P01EKJC [1,0,0,1,0,0|1,0,0]=3 4171 B10R2.6 N1CC1c2ccccc2 1P001MKW [1,0,0,1,0,0|0,0,0]=2 4172 B10R2.6 O1CC1c2ccccc2 1P003632 [1,0,0,1,0,0|1,0,0]=3 4173 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [1,0,0,1,0,0|1,0,0]=3 4174 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [1,0,0,1,0,0|1,0,0]=3 4175 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [1,0,0,1,0,0|1,0,0]=3 4176 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [1,0,0,1,0,0|2,0,0]=4 4177 B10R2.6 c1ccc(nc1)C2CO2 1P018SFL [1,0,0,1,0,0|2,0,0]=4 4178 B10R2.7 C1Cc2c(C1)cccc2 1P0037N7 [1,0,0,1,0,0|0,0,0]=2 4179 B10R2.7 C1Cc2c(N1)ccnc2 1P002OA9 [1,0,0,1,0,0|1,0,0]=3 4180 B10R2.7 C1Cc2c(N1)ccnc2 1P00EKG2 [1,0,0,1,0,0|1,0,0]=3 4181 B10R2.7 C1Cc2c(N1)cncc2 1P00338T [1,0,0,1,0,0|1,0,0]=3 4182 B10R2.7 C1Cc2c(N1)cncc2 1P009I2T [1,0,0,1,0,0|1,0,0]=3 4183 B10R2.7 C1Cc2c(N1)cncc2 1P00HZ3J [1,0,0,1,0,0|1,0,0]=3 4184 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [1,0,0,1,0,0|1,0,0]=3 4185 B10R2.7 C1Cc2c(N1)ncnc2 1P01BY0P [1,0,0,1,0,0|2,0,0]=4 4186 B10R2.7 C1Cc2c(N1)nncc2 1P027VME [1,0,0,1,0,0|2,0,0]=4 4187 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [1,0,0,1,0,0|1,0,0]=3 4188 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [1,0,0,1,0,0|1,0,0]=3 4189 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5F [1,0,0,1,0,0|2,0,0]=4 4190 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5G [1,0,0,1,0,0|2,0,0]=4 4191 B10R2.7 C1Oc2c(O1)cccc2 1P00I5NN [1,0,0,1,0,0|2,0,0]=4 4192 B10R2.7 C1Sc2c(S1)cccc2 1P00C5DW [1,0,0,1,0,0|2,0,0]=4 4193 B10R2.7 N1Cc2c(C1)cccc2 1P00399N [1,0,0,1,0,0|1,0,0]=3 4194 B10R2.7 N1Cc2c(C1)cccc2 1P003RKJ [1,0,0,1,0,0|1,0,0]=3 4195 B10R2.7 O1Cc2c(C1)cccc2 1P003E0J [1,0,0,1,0,0|1,0,0]=3 4196 B10R2.7 S1Cc2c(C1)cccc2 1P002PM4 [1,0,0,1,0,0|1,0,0]=3 4197 B10R2.7 c1ccc2c(c1)C=CC2 1P0035HF [1,0,0,1,0,0|0,0,2]=4 4198 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [1,0,0,1,0,0|1,0,0]=3 4199 B10R2.7 c1ccc2c(c1)[nH]cc2 1P000QID [1,0,0,1,0,0|0,0,2]=4 4200 B10R2.7 c1ccc2c(c1)[nH]cn2 1P0034YF [1,0,0,1,0,0|1,0,1]=4 4201 B10R2.7 c1ccc2c(c1)[nH]cn2 1P01PO48 [1,0,0,1,0,0|1,0,1]=4 4202 B10R2.7 c1ccc2c(c1)[nH]nc2 1P003RGJ [1,0,0,1,0,0|1,0,1]=4 4203 B10R2.7 c1ccc2c(c1)[nH]nn2 1P00338C [1,0,0,1,0,0|2,0,0]=4 4204 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [1,0,0,1,0,0|1,0,0]=3 4205 B10R2.7 c1cnc2c(c1)CNC2 1P001FM0 [1,0,0,1,0,0|2,0,0]=4 4206 B10R2.7 c1cnc2c(c1)CNC2 1P001FM2 [1,0,0,1,0,0|2,0,0]=4 4207 B10R2.7 c1cnc2c(c1)CNC2 1P00EL6Y [1,0,0,1,0,0|2,0,0]=4 4208 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [1,0,0,1,0,0|2,0,0]=4 4209 B10R2.7 c1ncc2c(c1)CCC2 1P00DL6X [1,0,0,1,0,0|1,0,0]=3 4210 B10R2.7 c1ncc2c(c1)CNC2 1P0033EI [1,0,0,1,0,0|2,0,0]=4 4211 B10R2.7 c1ncc2c(c1)CNC2 1P00EA58 [1,0,0,1,0,0|2,0,0]=4 4212 B10R2.7 c1ncc2c(c1)COC2 1P01FT1J [1,0,0,1,0,0|2,0,0]=4 4213 B10R2.320 BrC1Cc2c1cccc2 1P002LO8 [1,0,0,1,0,0|1,0,0]=3 4214 B10R2.320 NC1Cc2c1cccc2 1P002M98 [1,0,0,1,0,0|0,0,0]=2 4215 B10R2.320 O=C1Cc2c1cccc2 1P00C72G [1,0,0,1,0,0|1,0,1]=4 4216 B10R2.320 OC1Cc2c1cccc2 1P00CLUH [1,0,0,1,0,0|1,0,0]=3 4217 B10R2.2 NC1Cc2c(C1)csc2 1P028JLQ [0,0,0,1,1,0|1,0,0]=3 4218 B10R2.2 NC1Cn2c(C1)cnc2 1P01AV0G [0,0,0,1,1,0|2,0,0]=4 4219 B10R2.5 CC1CC1c2ccco2 1P019PA5 [0,0,0,1,1,0|2,0,0]=4 4220 B10R2.5 N[C@@H]1C[C@H]1c2ccco2 1P0280KE [0,0,0,1,1,0|1,0,0]=3 4221 B10R2.5 N[C@@H]1C[C@H]1c2ncsc2 1P027WSS [0,0,0,1,1,0|2,0,0]=4 4222 B10R2.5 N[C@@H]1C[C@H]1c2scnc2 1P02805I [0,0,0,1,1,0|2,0,0]=4 4223 B12R2.11 CC1CC1Nc2ccccc2 1P01AM8S [0,0,0,1,0,1|1,0,0]=3 4224 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [0,0,0,1,0,1|0,0,0]=2 4225 B12R2.11 N[C@@H]1C[C@H]1Sc2ccccc2 1P028VGI [0,0,0,1,0,1|0,0,0]=2 4226 B12R2.22 BrC1CC(C1)c2ccccc2 1P0291Y1 [0,0,0,1,0,1|1,0,0]=3 4227 B12R2.22 BrC1CN(C1)c2ccccc2 1P028UAG [0,0,0,1,0,1|1,0,0]=3 4228 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,0,0,1,0,1|1,0,1]=4 4229 B12R2.22 NC1CC(=C1)c2ccccc2 1P028P5I [0,0,0,1,0,1|0,0,1]=3 4230 B12R2.22 NC1CC(C1)c2ccccc2 1P00IGS9 [0,0,0,1,0,1|0,0,0]=2 4231 B12R2.22 NC1CC(C1)c2ccccc2 1P01AAW6 [0,0,0,1,0,1|0,0,0]=2 4232 B12R2.22 NC1CC(C1)c2cccnc2 1P019FV1 [0,0,0,1,0,1|1,0,0]=3 4233 B12R2.22 NC1CC(C1)c2ncccn2 1P02935M [0,0,0,1,0,1|2,0,0]=4 4234 B12R2.22 NC1CN(C1)c2ccccc2 1P002AOP [0,0,0,1,0,1|0,0,0]=2 4235 B12R2.22 NC1CN(C1)c2ccccc2 1P01DYH8 [0,0,0,1,0,1|0,0,0]=2 4236 B12R2.22 NC1CN(C1)c2ccccn2 1P01EILN [0,0,0,1,0,1|1,0,0]=3 4237 B12R2.22 NC1CN(C1)c2cccnn2 1P01KJEF [0,0,0,1,0,1|2,0,0]=4 4238 B12R2.22 NC1CN(C1)c2ccncc2 1P024MYS [0,0,0,1,0,1|1,0,0]=3 4239 B12R2.22 NC1CN(C1)c2ccncn2 1P019ZA5 [0,0,0,1,0,1|2,0,0]=4 4240 B12R2.22 NC1CN(C1)c2ncccn2 1P00ILF2 [0,0,0,1,0,1|2,0,0]=4 4241 B12R2.22 NC1CN(C1)c2nccnc2 1P01ETZT [0,0,0,1,0,1|2,0,0]=4 4242 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P00CIY6 [0,0,0,1,0,1|0,0,0]=2 4243 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCEE [0,0,0,1,0,1|0,0,0]=2 4244 B12R2.22 N[C@@H]1C[C@@H](C1)c2ncccn2 1P027WGG [0,0,0,1,0,1|2,0,0]=4 4245 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P001PMC [0,0,0,1,0,1|0,0,0]=2 4246 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P01B816 [0,0,0,1,0,1|0,0,0]=2 4247 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,0,0,1,0,1|1,0,1]=4 4248 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,0,0,1,0,1|1,0,1]=4 4249 B12R2.22 OC1CC(C1)c2ccccc2 1P01A0RI [0,0,0,1,0,1|1,0,0]=3 4250 B12R2.22 OC1CN(C1)c2ccccc2 1P00G9PC [0,0,0,1,0,1|1,0,0]=3 4251 B12R2.22 OC1CN(C1)c2ccccn2 1P028AJM [0,0,0,1,0,1|2,0,0]=4 4252 B12R2.22 OC1CN(C1)c2cccnc2 1P018P2R [0,0,0,1,0,1|2,0,0]=4 4253 B12R2.22 OC1CN(C1)c2ccncc2 1P028AO4 [0,0,0,1,0,1|2,0,0]=4 4254 B12R2.22 O[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCCJ [0,0,0,1,0,1|1,0,0]=3 4255 B12R2.22 O[C@@H]1C[C@H](C1)c2ccccc2 1P01BFP2 [0,0,0,1,0,1|1,0,0]=3 4256 B12R2.24 BrC1CCc2c(C1)cccc2 1P01AA0L [0,0,0,1,0,1|1,0,0]=3 4257 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [0,0,0,1,0,1|0,0,2]=4 4258 B12R2.24 CC1CCc2c(C1)cccn2 1P024XID [0,0,0,1,0,1|2,0,0]=4 4259 B12R2.24 CC1CCc2c(C1)nccc2 1P00PGYR [0,0,0,1,0,1|2,0,0]=4 4260 B12R2.24 CC1CCc2c(N1)cccc2 1P00266P [0,0,0,1,0,1|0,0,0]=2 4261 B12R2.24 CC1CCc2c(N1)cccn2 1P028E84 [0,0,0,1,0,1|1,0,0]=3 4262 B12R2.24 CC1CNc2c(C1)cccc2 1P002J2Y [0,0,0,1,0,1|1,0,0]=3 4263 B12R2.24 CC1CNc2c(N1)cccc2 1P00FUJJ [0,0,0,1,0,1|0,0,0]=2 4264 B12R2.24 CC1CNc2c(N1)nccc2 1P018RZJ [0,0,0,1,0,1|1,0,0]=3 4265 B12R2.24 CC1CNc2c(O1)cccc2 1P00EJLD [0,0,0,1,0,1|1,0,0]=3 4266 B12R2.24 CC1CNc2c(O1)cccc2 1P01APH8 [0,0,0,1,0,1|1,0,0]=3 4267 B12R2.24 CC1CNc2c(O1)cccn2 1P00BHUK [0,0,0,1,0,1|2,0,0]=4 4268 B12R2.24 CC1CNc2c(O1)ccnc2 1P028YE9 [0,0,0,1,0,1|2,0,0]=4 4269 B12R2.24 CC1CNc2c(S1)cccc2 1P00EJLC [0,0,0,1,0,1|1,0,0]=3 4270 B12R2.24 CC1COc2c(N1)cccc2 1P00C0UG [0,0,0,1,0,1|0,0,0]=2 4271 B12R2.24 CC1CSc2c(N1)cccc2 1P00IES3 [0,0,0,1,0,1|0,0,0]=2 4272 B12R2.24 CC1Cc2cccnc2NC1 1P0286CY [0,0,0,1,0,1|2,0,0]=4 4273 B12R2.24 CC1NCc2c(C1)nccc2 1P024ZMV [0,0,0,1,0,1|2,0,0]=4 4274 B12R2.24 CC1NCc2c(C1)nccc2 1P02933X [0,0,0,1,0,1|2,0,0]=4 4275 B12R2.24 CN1CCc2c(C1)cccc2 1P001SPY [0,0,0,1,0,1|2,0,0]=4 4276 B12R2.24 CN1CCc2c(C1)cccc2 1P00DJHF [0,0,0,1,0,1|2,0,0]=4 4277 B12R2.24 CN1COc2c(C1)cccc2 1P01FX7S [0,0,0,1,0,1|2,0,0]=4 4278 B12R2.24 C[C@@H]1CNc2c(N1)ncnc2 1P0290BB [0,0,0,1,0,1|2,0,0]=4 4279 B12R2.24 C[C@@H]1CNc2c(O1)cccc2 1P0281EX [0,0,0,1,0,1|1,0,0]=3 4280 B12R2.24 C[C@@H]1COc2c(N1)nccc2 1P02814W [0,0,0,1,0,1|1,0,0]=3 4281 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P01JVJO [0,0,0,1,0,1|1,0,0]=3 4282 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P02857A [0,0,0,1,0,1|1,0,0]=3 4283 B12R2.24 C[C@H]1CNc2c(N1)ncnc2 1P028YHM [0,0,0,1,0,1|2,0,0]=4 4284 B12R2.24 C[C@H]1CNc2c(O1)cccc2 1P0280IJ [0,0,0,1,0,1|1,0,0]=3 4285 B12R2.24 C[C@H]1CNc2c(O1)nccc2 1P028F0J [0,0,0,1,0,1|2,0,0]=4 4286 B12R2.24 C[C@H]1COc2c(N1)nccc2 1P0281JS [0,0,0,1,0,1|1,0,0]=3 4287 B12R2.24 NC1=Nc2c(CC1)cccc2 1P028CNT [0,0,0,1,0,1|1,0,1]=4 4288 B12R2.24 NC1=Nc2c(CS1)cccc2 1P005OQX [0,0,0,1,0,1|1,0,1]=4 4289 B12R2.24 NC1CCc2c(C1)cccc2 1P00201L [0,0,0,1,0,1|0,0,0]=2 4290 B12R2.24 NC1CCc2c(C1)cccc2 1P002Z65 [0,0,0,1,0,1|0,0,0]=2 4291 B12R2.24 NC1CCc2c(C1)cccn2 1P019VS1 [0,0,0,1,0,1|1,0,0]=3 4292 B12R2.24 NC1CNc2c(C1)cccc2 1P00C7ZK [0,0,0,1,0,1|0,0,0]=2 4293 B12R2.24 NC1COc2c(C1)cccc2 1P00383B [0,0,0,1,0,1|0,0,0]=2 4294 B12R2.24 NC1COc2c(C1)cccc2 1P00EFVT [0,0,0,1,0,1|0,0,0]=2 4295 B12R2.24 NC1COc2c(C1)cccn2 1P028XTV [0,0,0,1,0,1|1,0,0]=3 4296 B12R2.24 NN1CCc2c(C1)cccc2 1P00G8HI [0,0,0,1,0,1|1,0,0]=3 4297 B12R2.24 N[C@@H]1CCc2c(C1)cccc2 1P00389M [0,0,0,1,0,1|0,0,0]=2 4298 B12R2.24 N[C@@H]1COc2c(C1)cccc2 1P003D2J [0,0,0,1,0,1|0,0,0]=2 4299 B12R2.24 N[C@H]1CCc2c(C1)cccc2 1P00I4PM [0,0,0,1,0,1|0,0,0]=2 4300 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [0,0,0,1,0,1|1,0,1]=4 4301 B12R2.24 O=C1CNc2c(N1)cccc2 1P00EBBL [0,0,0,1,0,1|1,0,1]=4 4302 B12R2.24 O=C1COc2c(C1)cccc2 1P002FDL [0,0,0,1,0,1|1,0,1]=4 4303 B12R2.24 O=C1COc2c(N1)cccc2 1P003HTH [0,0,0,1,0,1|1,0,1]=4 4304 B12R2.24 O=C1CSc2c(C1)cccc2 1P001YUW [0,0,0,1,0,1|1,0,1]=4 4305 B12R2.24 O=C1CSc2c(N1)cccc2 1P003HTJ [0,0,0,1,0,1|1,0,1]=4 4306 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [0,0,0,1,0,1|1,0,1]=4 4307 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,0,0,1,0,1|1,0,1]=4 4308 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [0,0,0,1,0,1|1,0,1]=4 4309 B12R2.24 O=C1OCc2c(N1)cccc2 1P00AGC8 [0,0,0,1,0,1|1,0,1]=4 4310 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [0,0,0,1,0,1|1,0,0]=3 4311 B12R2.24 OC1CN=c2n(C1)cccc2 1P019UK1 [0,0,0,1,0,1|2,0,0]=4 4312 B12R2.24 OC1CNc2c(C1)cccc2 1P00C6U7 [0,0,0,1,0,1|1,0,0]=3 4313 B12R2.24 OC1CNc2c(C1)cccc2 1P01BGH0 [0,0,0,1,0,1|1,0,0]=3 4314 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [0,0,0,1,0,1|1,0,0]=3 4315 B12R2.24 O[C@@H]1CNc2c(C1)cccc2 1P00ILOH [0,0,0,1,0,1|1,0,0]=3 4316 B12R2.24 O[C@H]1CNc2c(C1)cccc2 1P00HCNT [0,0,0,1,0,1|1,0,0]=3 4317 B12R2.24 SC1CCc2c(C1)cccc2 1P01AAN9 [0,0,0,1,0,1|1,0,0]=3 4318 B12R2.92 CC1(C)NC1c2ccccc2 1P00I4Z8 [0,0,0,1,0,1|1,0,0]=3 4319 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [0,0,0,1,0,1|1,0,0]=3 4320 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 1P01AMOG [0,0,0,1,0,1|0,0,0]=2 4321 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [0,0,0,1,0,1|1,0,0]=3 4322 B12R2.92 C[C@]1(N)C[C@@H]1c2ccccc2 1P028V4E [0,0,0,1,0,1|0,0,0]=2 4323 B12R2.92 ClC1(Cl)CC1c2ccccc2 1P003C12 [0,0,0,1,0,1|2,0,0]=4 4324 B12R2.2057 C(C1OC1)Cc2ccccc2 1P01A7CT [0,0,0,1,0,1|1,0,0]=3 4325 B12R2.2057 C1CC1CNc2ccccc2 1P00I7MW [0,0,0,1,0,1|1,0,0]=3 4326 B12R2.2057 N(C1CC1)Cc2ccccc2 1P0014WU [0,0,0,1,0,1|1,0,0]=3 4327 B12R2.2057 N(C1CC1)Cc2ccccc2 1P00CMB2 [0,0,0,1,0,1|1,0,0]=3 4328 B12R2.2057 N(C1CC1)Cc2ccncc2 1P00ADJF [0,0,0,1,0,1|2,0,0]=4 4329 B12R2.2057 O1CC1COc2ccccc2 1P0035FN [0,0,0,1,0,1|1,0,0]=3 4330 B12R2.2057 O1CC1CSc2ccccc2 1P00DGA9 [0,0,0,1,0,1|1,0,0]=3 4331 B12R2.2057 O1C[C@@H]1COc2ccccc2 1P003CRZ [0,0,0,1,0,1|1,0,0]=3 4332 B12R2.2057 c1ccc(cn1)CNC2CC2 1P00287L [0,0,0,1,0,1|2,0,0]=4 4333 B12R2.2057 c1ccc(cn1)CNC2CC2 1P00J28T [0,0,0,1,0,1|2,0,0]=4 4334 B12R2.2057 c1ccc(cn1)NCC2CC2 1P01A1FO [0,0,0,1,0,1|2,0,0]=4 4335 B12R2.2057 c1ccc(nc1)CNC2CC2 1P00EEI6 [0,0,0,1,0,1|2,0,0]=4 4336 B12R2.2057 c1ccc(nc1)NCC2CC2 1P027Y1Z [0,0,0,1,0,1|2,0,0]=4 4337 B12R2.2403 CC1(C)CNc2c1cccc2 1P002FNX [0,0,0,1,0,1|1,0,0]=3 4338 B12R2.2403 CC1(C)CNc2c1cccc2 1P019ZZH [0,0,0,1,0,1|1,0,0]=3 4339 B12R2.2403 CC1(C)CNc2c1cccn2 1P001RLK [0,0,0,1,0,1|2,0,0]=4 4340 B12R2.2403 CC1(C)CNc2c1cncc2 1P01DL4S [0,0,0,1,0,1|2,0,0]=4 4341 B12R2.2403 CC1(C)CNc2c1nccc2 1P028FIQ [0,0,0,1,0,1|2,0,0]=4 4342 B12R2.2403 CC1(C)COc2c1cccc2 1P009JR8 [0,0,0,1,0,1|1,0,0]=3 4343 B12R2.2403 CC1(C)NCc2c1cccc2 1P00FYER [0,0,0,1,0,1|1,0,0]=3 4344 B12R2.2403 CC1(C)SCc2c1cccc2 1P01WK9L [0,0,0,1,0,1|1,0,0]=3 4345 B12R2.2403 CC1(N)CCc2c1cccc2 1P01C4XI [0,0,0,1,0,1|0,0,0]=2 4346 B12R2.2403 CC1(N)COc2c1cccc2 1P0282TC [0,0,0,1,0,1|0,0,0]=2 4347 B12R2.2403 CC1(O)CCc2c1cccc2 1P00EMDX [0,0,0,1,0,1|1,0,0]=3 4348 B12R2.2403 C[Si]1(C)OCc2c1cccc2 1P00CA06 [0,0,0,1,0,1|1,1,0]=4 4349 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,0,0,1,0,1|1,0,1]=4 4350 B12R2.3190 CC(C1Cc2c1cccc2)N 1P01A5WI [0,0,0,1,0,1|0,0,0]=2 4351 B12R2.3190 NC(=N)C1Cc2c1cccc2 1P01A5IY [0,0,0,1,0,1|1,0,1]=4 4352 B12R2.79 C[C@@H]1O[C@H]1c2ccc(cc2)Cl 1P0240RJ [0,1,0,1,0,0|1,0,0]=3 4353 B12R2.79 NC1CC1c2ccc(cc2)Br 1P009KIN [0,1,0,1,0,0|0,0,0]=2 4354 B12R2.79 NC1CC1c2ccc(cc2)F 1P00GXJG [0,1,0,1,0,0|0,0,0]=2 4355 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Br 1P01B80U [0,1,0,1,0,0|0,0,0]=2 4356 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)C 1P01C58S [0,1,0,1,0,0|0,0,0]=2 4357 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01B802 [0,1,0,1,0,0|0,0,0]=2 4358 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)F 1P00HSX8 [0,1,0,1,0,0|0,0,0]=2 4359 B12R2.79 N[C@@H]1C[C@H]1c2ccc(nc2)F 1P028L2E [0,1,0,1,0,0|1,0,0]=3 4360 B12R2.79 N[C@@H]1C[C@H]1c2ccc(nc2)F 1P028L4D [0,1,0,1,0,0|1,0,0]=3 4361 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)F 1P002CCH [0,1,0,1,0,0|0,0,0]=2 4362 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)O 1P009QWY [0,1,0,1,0,0|0,0,0]=2 4363 B12R2.79 N[C@H]1C[C@@H]1c2ccc(nc2)Br 1P00ILI8 [0,1,0,1,0,0|1,0,0]=3 4364 B12R2.294 Brc1ccc(cc1)CC2CC2 1P021PUP [0,1,0,1,0,0|1,0,0]=3 4365 B12R2.294 Brc1ccc(cc1)CC2OC2 1P0291N1 [0,1,0,1,0,0|1,0,0]=3 4366 B12R2.294 Brc1ccc(cc1)NC2CC2 1P01BEF9 [0,1,0,1,0,0|2,0,0]=4 4367 B12R2.294 Brc1ccc(cc1)OC2CC2 1P00BYEN [0,1,0,1,0,0|2,0,0]=4 4368 B12R2.294 Fc1ccc(cc1)CC2OC2 1P01AMTE [0,1,0,1,0,0|1,0,0]=3 4369 B12R2.294 Fc1ccc(cc1)NC2CC2 1P0080TK [0,1,0,1,0,0|2,0,0]=4 4370 B12R2.294 Nc1ccc(cc1)OC2CC2 1P027XAZ [0,1,0,1,0,0|2,0,0]=4 4371 B12R2.294 Oc1ccc(cc1)CC2N=N2 1P028BZF [0,1,0,1,0,0|1,0,1]=4 4372 B12R2.294 Oc1ccc(cc1)OC2CC2 1P01B2ZO [0,1,0,1,0,0|2,0,0]=4 4373 B12R2.294 Sc1ccc(cc1)OC2CC2 1P01AG2Y [0,1,0,1,0,0|2,0,0]=4 4374 B12R2.606 Brc1ccc2c(c1)[nH]c(c2)C 1P00EGJK [0,1,0,1,0,0|0,0,2]=4 4375 B12R2.606 Brc1ccc2c(c1)cc([nH]2)C 1P007WM5 [0,1,0,1,0,0|0,0,2]=4 4376 B12R2.606 Brc1ccc2c(c1)nc([nH]2)C 1P00AQHX [0,1,0,1,0,0|1,0,1]=4 4377 B12R2.606 CC1Cc2c(C1)cc(cc2)C 1P0292S0 [0,1,0,1,0,0|1,0,0]=3 4378 B12R2.606 CC1Nc2c(C1)cc(cc2)Br 1P00VSFR [0,1,0,1,0,0|0,0,0]=2 4379 B12R2.606 CC1Nc2c(C1)cc(cc2)Br 1P028273 [0,1,0,1,0,0|0,0,0]=2 4380 B12R2.606 CC1Nc2c(C1)cc(cc2)C 1P00H3N6 [0,1,0,1,0,0|0,0,0]=2 4381 B12R2.606 CC1Nc2c(C1)cc(cc2)Cl 1P01B5BC [0,1,0,1,0,0|0,0,0]=2 4382 B12R2.606 CC1Nc2c(C1)cc(cc2)F 1P004YB0 [0,1,0,1,0,0|0,0,0]=2 4383 B12R2.606 CC1Oc2c(C1)cc(cc2)Br 1P0007KV [0,1,0,1,0,0|1,0,0]=3 4384 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P002SRL [0,1,0,1,0,0|1,0,0]=3 4385 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P00J21L [0,1,0,1,0,0|1,0,0]=3 4386 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P01EIN8 [0,1,0,1,0,0|1,0,0]=3 4387 B12R2.606 CC1Oc2c(C1)cc(cc2)O 1P01DYW0 [0,1,0,1,0,0|1,0,0]=3 4388 B12R2.606 CN1Cc2c(C1)cc(cc2)N 1P001RHN [0,1,0,1,0,0|2,0,0]=4 4389 B12R2.606 CN1Cc2c(C1)cc(cc2)N 1P00IN51 [0,1,0,1,0,0|2,0,0]=4 4390 B12R2.606 C[C@@H]1Nc2c(C1)cc(cc2)Br 1P028I7Y [0,1,0,1,0,0|0,0,0]=2 4391 B12R2.606 C[C@H]1Nc2c(C1)cc(cc2)Br 1P023ZW1 [0,1,0,1,0,0|0,0,0]=2 4392 B12R2.606 Cc1ccc2c(c1)[nH]c(c2)C 1P00EIVD [0,1,0,1,0,0|0,0,2]=4 4393 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)C 1P0027BU [0,1,0,1,0,0|1,0,1]=4 4394 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C 1P000PPU [0,1,0,1,0,0|0,0,2]=4 4395 B12R2.606 Clc1ccc2c(c1)CC(=N2)N 1P01BRHC [0,1,0,1,0,0|1,0,1]=4 4396 B12R2.606 Clc1ccc2c(c1)[nH]c(c2)C 1P00EDFS [0,1,0,1,0,0|0,0,2]=4 4397 B12R2.606 Clc1ccc2c(c1)cc([nH]2)C 1P007WM4 [0,1,0,1,0,0|0,0,2]=4 4398 B12R2.606 Clc1ccc2c(c1)nc([nH]2)C 1P003N3Z [0,1,0,1,0,0|1,0,1]=4 4399 B12R2.606 Fc1ccc2c(c1)[nH]c(c2)C 1P00C7OI [0,1,0,1,0,0|0,0,2]=4 4400 B12R2.606 Fc1ccc2c(c1)cc([nH]2)C 1P00I8AG [0,1,0,1,0,0|0,0,2]=4 4401 B12R2.606 Fc1ccc2c(c1)nc([nH]2)C 1P008TCI [0,1,0,1,0,0|1,0,1]=4 4402 B12R2.606 Ic1ccc2c(c1)[nH]c(c2)C 1P000R9D [0,1,0,1,0,0|0,0,2]=4 4403 B12R2.606 Ic1ccc2c(c1)nc([nH]2)C 1P00BC3F [0,1,0,1,0,0|1,0,1]=4 4404 B12R2.606 NC1Cc2c(C1)cc(cc2)Br 1P003GXB [0,1,0,1,0,0|0,0,0]=2 4405 B12R2.606 NC1Cc2c(C1)cc(cc2)Cl 1P00FHPN [0,1,0,1,0,0|0,0,0]=2 4406 B12R2.606 NC1Cc2c(C1)cc(cc2)Cl 1P01B8XX [0,1,0,1,0,0|0,0,0]=2 4407 B12R2.606 NC1Cc2c(C1)cc(cc2)F 1P002NKI [0,1,0,1,0,0|0,0,0]=2 4408 B12R2.606 NC1Cc2c(C1)ncc(c2)Br 1P01WZXR [0,1,0,1,0,0|1,0,0]=3 4409 B12R2.606 Nc1ccc2c(c1)[nH]c(c2)C 1P0007MV [0,1,0,1,0,0|0,0,2]=4 4410 B12R2.606 Nc1ccc2c(c1)[nH]c(n2)C 1P002N8W [0,1,0,1,0,0|1,0,1]=4 4411 B12R2.606 Nc1ccc2c(c1)[nH]c(n2)C 1P002VRZ [0,1,0,1,0,0|1,0,1]=4 4412 B12R2.606 Nc1ccc2c(c1)cc([nH]2)C 1P003MU6 [0,1,0,1,0,0|0,0,2]=4 4413 B12R2.606 O=C1Cc2c(C1)cc(cc2)Br 1P00202B [0,1,0,1,0,0|1,0,1]=4 4414 B12R2.606 O=C1Cc2c(C1)cc(cc2)Cl 1P00375N [0,1,0,1,0,0|1,0,1]=4 4415 B12R2.606 O=C1Cc2c(C1)cc(cc2)F 1P00IAPW [0,1,0,1,0,0|1,0,1]=4 4416 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br 1P0034T4 [0,1,0,1,0,0|1,0,1]=4 4417 B12R2.606 O=C1Cc2c(N1)cc(cc2)C 1P0034U2 [0,1,0,1,0,0|1,0,1]=4 4418 B12R2.606 O=C1Cc2c(N1)cc(cc2)Cl 1P00393R [0,1,0,1,0,0|1,0,1]=4 4419 B12R2.606 O=C1Cc2c(N1)cc(cc2)F 1P00IAJ0 [0,1,0,1,0,0|1,0,1]=4 4420 B12R2.606 O=C1Cc2c(N1)cc(cc2)I 1P00692G [0,1,0,1,0,0|1,0,1]=4 4421 B12R2.606 O=C1Cc2c(N1)cc(cc2)N 1P001N5X [0,1,0,1,0,0|1,0,1]=4 4422 B12R2.606 O=C1Cc2c(N1)cc(cc2)N 1P00J3GW [0,1,0,1,0,0|1,0,1]=4 4423 B12R2.606 O=C1Cc2c(N1)cc(cc2)O 1P00639Z [0,1,0,1,0,0|1,0,1]=4 4424 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br 1P002KBD [0,1,0,1,0,0|1,0,1]=4 4425 B12R2.606 O=C1Nc2c(C1)cc(cc2)C 1P00BYK5 [0,1,0,1,0,0|1,0,1]=4 4426 B12R2.606 O=C1Nc2c(C1)cc(cc2)Cl 1P00250P [0,1,0,1,0,0|1,0,1]=4 4427 B12R2.606 O=C1Nc2c(C1)cc(cc2)F 1P0034QH [0,1,0,1,0,0|1,0,1]=4 4428 B12R2.606 O=C1Nc2c(C1)cc(cc2)I 1P00ABW0 [0,1,0,1,0,0|1,0,1]=4 4429 B12R2.606 O=C1Nc2c(C1)cc(cc2)N 1P002KBR [0,1,0,1,0,0|1,0,1]=4 4430 B12R2.606 O=C1Nc2c(C1)cc(cc2)N 1P00940X [0,1,0,1,0,0|1,0,1]=4 4431 B12R2.606 O=C1Nc2c(C1)cc(cc2)O 1P003845 [0,1,0,1,0,0|1,0,1]=4 4432 B12R2.606 O=C1Nc2c(C1)cc(cc2)S 1P019M1C [0,1,0,1,0,0|1,0,1]=4 4433 B12R2.606 OC1Cc2c(C1)cc(cc2)Br 1P008FK4 [0,1,0,1,0,0|1,0,0]=3 4434 B12R2.606 OC1Cc2c(C1)cc(cc2)F 1P01DXC0 [0,1,0,1,0,0|1,0,0]=3 4435 B12R2.606 OC1Cc2c(C1)cc(cc2)O 1P01DWXJ [0,1,0,1,0,0|1,0,0]=3 4436 B12R2.606 Oc1ccc2c(c1)[nH]c(c2)C 1P00D9LH [0,1,0,1,0,0|0,0,2]=4 4437 B12R2.606 Oc1ccc2c(c1)cc([nH]2)C 1P0014S5 [0,1,0,1,0,0|0,0,2]=4 4438 B12R2.606 Oc1ccc2c(c1)nc([nH]2)C 1P00CLID [0,1,0,1,0,0|1,0,1]=4 4439 B12R2.606 Oc1ccc2c(c1)nc([nH]2)C 1P00J47R [0,1,0,1,0,0|1,0,1]=4 4440 B12R2.18 CC1C(C)Nc2c1cccc2 1P007Q06 [0,1,0,1,0,0|0,0,0]=2 4441 B12R2.18 CC1C(O)Cc2c1cccc2 1P019Z25 [0,1,0,1,0,0|1,0,0]=3 4442 B12R2.18 Cc1[nH]c2c(c1Br)cccc2 1P001MBW [0,1,0,1,0,0|0,0,2]=4 4443 B12R2.18 Cc1[nH]c2c(c1C)cccc2 1P003G13 [0,1,0,1,0,0|0,0,2]=4 4444 B12R2.18 Cc1[nH]c2c(c1I)cccc2 1P00BHOH [0,1,0,1,0,0|0,0,2]=4 4445 B12R2.18 Cc1[nH]c2c(c1N)cccc2 1P01C5TU [0,1,0,1,0,0|0,0,2]=4 4446 B12R2.18 Cn1[nH]c2c(c1=O)cccc2 1P00ARH1 [0,1,0,1,0,0|1,0,1]=4 4447 B12R2.18 Cn1c(C)cc2c1cccc2 1P00IF3Y [0,1,0,1,0,0|0,0,2]=4 4448 B12R2.18 Cn1c(C)nc2c1cccc2 1P002WUY [0,1,0,1,0,0|1,0,1]=4 4449 B12R2.18 Cn1c(N)cc2c1cccc2 1P00CLGJ [0,1,0,1,0,0|0,0,2]=4 4450 B12R2.18 Cn1c(N)nc2c1cccc2 1P001TCP [0,1,0,1,0,0|1,0,1]=4 4451 B12R2.18 Cn1nc2c(c1N)cccc2 1P006AUX [0,1,0,1,0,0|2,0,0]=4 4452 B12R2.18 Cn1nc2c(c1N)cccc2 1P0285BB [0,1,0,1,0,0|2,0,0]=4 4453 B12R2.18 NC1C(C)Cc2c1cccc2 1P00CXTW [0,1,0,1,0,0|0,0,0]=2 4454 B12R2.18 NC1C(C)Cc2c1cccc2 1P01AI1J [0,1,0,1,0,0|0,0,0]=2 4455 B12R2.18 NC1C(C)Oc2c1cccc2 1P01BBXP [0,1,0,1,0,0|1,0,0]=3 4456 B12R2.18 NN1C(C)Cc2c1cccc2 1P0038JS [0,1,0,1,0,0|0,0,0]=2 4457 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P001U4O [0,1,0,1,0,0|1,0,0]=3 4458 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P01B2C3 [0,1,0,1,0,0|1,0,0]=3 4459 B12R2.18 N[C@@H]1[C@H](N)Cc2c1cccc2 1P028CYJ [0,1,0,1,0,0|0,0,0]=2 4460 B12R2.18 N[C@@H]1[C@H](O)Cc2c1cccc2 1P00737G [0,1,0,1,0,0|1,0,0]=3 4461 B12R2.18 N[C@H]1[C@H](C)Cc2c1cccc2 1P028AK2 [0,1,0,1,0,0|0,0,0]=2 4462 B12R2.18 N[C@H]1[C@H](O)Cc2c1cccc2 1P028096 [0,1,0,1,0,0|1,0,0]=3 4463 B12R2.18 Nn1c(C)nc2c1cccc2 1P00F40I [0,1,0,1,0,0|1,0,1]=4 4464 B12R2.18 O=C1C(Br)Cc2c1cccc2 1P0025TP [0,1,0,1,0,0|1,0,1]=4 4465 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [0,1,0,1,0,0|1,0,0]=3 4466 B12R2.18 O=C1C(Cl)Cc2c1cccc2 1P00B2LH [0,1,0,1,0,0|1,0,1]=4 4467 B12R2.18 O=C1C(F)Cc2c1cccc2 1P00FGGF [0,1,0,1,0,0|1,0,1]=4 4468 B12R2.18 O=C1C(N)Cc2c1cccc2 1P00FJCX [0,1,0,1,0,0|0,0,1]=3 4469 B12R2.18 O=C1Cc2c(C1C)cccc2 1P019YQK [0,1,0,1,0,0|1,0,1]=4 4470 B12R2.18 O=C1Cc2c(C1N)cccc2 1P0286XU [0,1,0,1,0,0|1,0,1]=4 4471 B12R2.18 O=C1Cc2c(N1C)cccc2 1P00339I [0,1,0,1,0,0|1,0,1]=4 4472 B12R2.18 O=C1N(N)Cc2c1cccc2 1P01A66S [0,1,0,1,0,0|1,0,1]=4 4473 B12R2.18 O=C1Nc2c(C1Br)cccc2 1P002M2M [0,1,0,1,0,0|1,0,1]=4 4474 B12R2.18 O=C1Nc2c(C1C)cccc2 1P001N1S [0,1,0,1,0,0|1,0,1]=4 4475 B12R2.18 O=C1Nc2c(C1Cl)cccc2 1P006DIR [0,1,0,1,0,0|1,0,1]=4 4476 B12R2.18 O=C1Nc2c(C1N)cccc2 1P00J1R7 [0,1,0,1,0,0|1,0,1]=4 4477 B12R2.18 O=C1Nc2c(C1O)cccc2 1P00EZKX [0,1,0,1,0,0|1,0,1]=4 4478 B12R2.18 OC1C(Br)Cc2c1cccc2 1P0033LI [0,1,0,1,0,0|1,0,0]=3 4479 B12R2.18 OC1C(F)Cc2c1cccc2 1P01C4KF [0,1,0,1,0,0|1,0,0]=3 4480 B12R2.18 O[C@@H]1[C@@H](Br)Cc2c1cccc2 1P01ALKM [0,1,0,1,0,0|1,0,0]=3 4481 B12R2.18 O[C@@H]1[C@H](Br)Cc2c1cccc2 1P0022PB [0,1,0,1,0,0|1,0,0]=3 4482 B12R2.18 O[C@H]1Cc2c([C@H]1[NH3+])cccc2 1P00HUWA [0,1,0,1,0,0|1,0,0]=3 4483 B12R2.18 O[C@H]1[C@@H](N)Cc2c1cccc2 1P00BDOK [0,1,0,1,0,0|0,0,0]=2 4484 B12R2.18 O[C@H]1[C@H](Br)Cc2c1cccc2 1P003VCM [0,1,0,1,0,0|1,0,0]=3 4485 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009E8J [0,1,0,1,0,0|0,0,0]=2 4486 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009WJE [0,1,0,1,0,0|0,0,0]=2 4487 B12R2.23 CC1CNC1c2ccccc2 1P019T2Z [0,1,0,1,0,0|0,0,0]=2 4488 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [0,1,0,1,0,0|0,0,0]=2 4489 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [0,1,0,1,0,0|0,0,0]=2 4490 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [0,1,0,1,0,0|1,0,1]=4 4491 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [0,1,0,1,0,0|1,0,1]=4 4492 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [0,1,0,1,0,0|1,0,0]=3 4493 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [0,1,0,1,0,0|1,0,0]=3 4494 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [0,1,0,1,0,0|1,0,0]=3 4495 B12R2.235 NC1CC1(C)c2ccccc2 1P01ALHJ [0,1,0,1,0,0|0,0,0]=2 4496 B12R2.235 NC1CC1(F)c2ccccc2 1P01C4GI [0,1,0,1,0,0|0,0,0]=2 4497 B12R2.2075 CC(c1ccccc1)C2OC2 1P01AMGS [0,1,0,1,0,0|1,0,0]=3 4498 B12R2.2075 NC(c1ccccc1)C2CC2 1P002NRQ [0,1,0,1,0,0|1,0,0]=3 4499 B12R2.2075 NC(c1ccccc1)C2CC2 1P003EQ4 [0,1,0,1,0,0|1,0,0]=3 4500 B12R2.2075 NC(c1ccccn1)C2CC2 1P003EQ1 [0,1,0,1,0,0|2,0,0]=4 4501 B12R2.2075 NC(c1cccnc1)C2CC2 1P003EQ2 [0,1,0,1,0,0|2,0,0]=4 4502 B12R2.2075 NC(c1cccnc1)C2CC2 1P01XD6R [0,1,0,1,0,0|2,0,0]=4 4503 B12R2.2075 NC(c1ccncc1)C2CC2 1P000X3B [0,1,0,1,0,0|2,0,0]=4 4504 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P001HA8 [0,1,0,1,0,0|1,0,0]=3 4505 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P0074DQ [0,1,0,1,0,0|1,0,0]=3 4506 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00CLDI [0,1,0,1,0,0|1,0,0]=3 4507 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00G2TE [0,1,0,1,0,0|1,0,0]=3 4508 B12R2.2075 O=C(c1ccccc1)C2CC2 1P00354V [0,1,0,1,0,0|1,0,1]=4 4509 B12R2.2075 OC(c1ccccc1)C2CC2 1P00034H [0,1,0,1,0,0|1,0,0]=3 4510 B12R2.2075 OC(c1cccnc1)C2CC2 1P001O1P [0,1,0,1,0,0|2,0,0]=4 4511 B12R2.2075 O[C@@H](c1ccccc1)C2CC2 1P0286ZD [0,1,0,1,0,0|1,0,0]=3 4512 B12R2.2075 O[C@@H](c1ccccn1)C2CC2 1P01BEYI [0,1,0,1,0,0|2,0,0]=4 4513 B12R2.2075 O[C@@H](c1ccncc1)C2CC2 1P028E83 [0,1,0,1,0,0|2,0,0]=4 4514 B12R2.2075 O[C@H](c1ccccc1)C2CC2 1P028URA [0,1,0,1,0,0|1,0,0]=3 4515 B12R2.2075 O[C@H](c1ccccn1)C2CC2 1P01BEYH [0,1,0,1,0,0|2,0,0]=4 4516 B12R2.2075 O[C@H](c1ccncc1)C2CC2 1P028DWI [0,1,0,1,0,0|2,0,0]=4 4517 B12R2.2075 SC(c1ccccc1)C2CC2 1P01DVXH [0,1,0,1,0,0|1,0,0]=3 4518 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 1P023T5T [0,1,0,1,0,0|1,0,0]=3 4519 B12R2.27 C#C[C@@H]1C[C@H]1c2ccccc2 1P01K0VJ [0,1,0,1,0,0|1,0,0]=3 4520 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [0,1,0,1,0,0|0,0,0]=2 4521 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [0,1,0,1,0,0|0,0,0]=2 4522 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [0,1,0,1,0,0|0,0,0]=2 4523 B12R2.27 N#CC1CC1c2ccccc2 1P00I91M [0,1,0,1,0,0|0,0,1]=3 4524 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P00DLCK [0,1,0,1,0,0|0,0,1]=3 4525 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P024KON [0,1,0,1,0,0|0,0,1]=3 4526 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 1P01C5EC [0,1,0,1,0,0|0,0,0]=2 4527 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 1P01C5FJ [0,1,0,1,0,0|0,0,0]=2 4528 B12R2.27 O=CC1CC1c2ccncc2 1P006PR2 [0,1,0,1,0,0|2,0,0]=4 4529 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [0,1,0,1,0,0|1,0,0]=3 4530 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [0,1,0,1,0,0|1,0,0]=3 4531 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [0,1,0,1,0,0|1,0,0]=3 4532 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [0,1,0,1,0,0|1,0,0]=3 4533 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [0,1,0,1,0,0|1,0,0]=3 4534 B12R2.32 BrCC1Cc2c(C1)cccc2 1P00C715 [0,1,0,1,0,0|1,0,0]=3 4535 B12R2.32 BrCC1Cc2c(O1)cccc2 1P002CXU [0,1,0,1,0,0|1,0,0]=3 4536 B12R2.32 C#CC1Cc2c(C1)cccc2 1P00ABX8 [0,1,0,1,0,0|1,0,0]=3 4537 B12R2.32 CCc1cc2c([nH]1)cccc2 1P007HNW [0,1,0,1,0,0|0,0,2]=4 4538 B12R2.32 CCc1nc2c([nH]1)cccc2 1P00I1Z7 [0,1,0,1,0,0|1,0,1]=4 4539 B12R2.32 CNC1Cc2c(C1)cccc2 1P008T9L [0,1,0,1,0,0|0,0,0]=2 4540 B12R2.32 CNc1nc2c([nH]1)cccc2 1P00AMFX [0,1,0,1,0,0|1,0,1]=4 4541 B12R2.32 COc1cc2c([nH]1)cccc2 1P01KL3V [0,1,0,1,0,0|0,0,2]=4 4542 B12R2.32 CSc1cc2c([nH]1)cccc2 1P027XHZ [0,1,0,1,0,0|0,0,2]=4 4543 B12R2.32 CSc1nc2c([nH]1)cccc2 1P003FK2 [0,1,0,1,0,0|1,0,1]=4 4544 B12R2.32 ClCC1Cc2c(O1)cccc2 1P00DLTJ [0,1,0,1,0,0|1,0,0]=3 4545 B12R2.32 ClCc1nc2c([nH]1)cccc2 1P003HJB [0,1,0,1,0,0|1,0,1]=4 4546 B12R2.32 ClCc1nc2c([nH]1)cccc2 1P019MO8 [0,1,0,1,0,0|1,0,1]=4 4547 B12R2.32 ICC1Cc2c(O1)cccc2 1P00EFUD [0,1,0,1,0,0|1,0,0]=3 4548 B12R2.32 N#CC1Cc2c(C1)cccc2 1P002TQR [0,1,0,1,0,0|0,0,1]=3 4549 B12R2.32 N#CC1Cc2c(O1)cccc2 1P01PW8C [0,1,0,1,0,0|1,0,1]=4 4550 B12R2.32 N#CN1Cc2c(C1)cccc2 1P005NPH [0,1,0,1,0,0|1,0,1]=4 4551 B12R2.32 NCC1Cc2c(C1)cccc2 1P0026Z3 [0,1,0,1,0,0|0,0,0]=2 4552 B12R2.32 NCC1Cc2c(C1)ccnc2 1P028DZX [0,1,0,1,0,0|1,0,0]=3 4553 B12R2.32 NCC1Cc2c(N1)cccc2 1P027XO3 [0,1,0,1,0,0|0,0,0]=2 4554 B12R2.32 NCC1Cc2c(O1)cccc2 1P00BI7W [0,1,0,1,0,0|1,0,0]=3 4555 B12R2.32 NCC1Oc2c(O1)cccc2 1P003FFI [0,1,0,1,0,0|2,0,0]=4 4556 B12R2.32 NCc1cc2c([nH]1)cccc2 1P000HOV [0,1,0,1,0,0|0,0,2]=4 4557 B12R2.32 NCc1cc2c([nH]1)cccc2 1P002LMD [0,1,0,1,0,0|0,0,2]=4 4558 B12R2.32 NCc1cc2c([nH]1)cccc2 1P0098M9 [0,1,0,1,0,0|0,0,2]=4 4559 B12R2.32 NCc1cc2c([nH]1)cccc2 1P00J3F7 [0,1,0,1,0,0|0,0,2]=4 4560 B12R2.32 NCc1nc2c([nH]1)cccc2 1P000GMX [0,1,0,1,0,0|1,0,1]=4 4561 B12R2.32 NCc1nc2c([nH]1)cccc2 1P0059FZ [0,1,0,1,0,0|1,0,1]=4 4562 B12R2.32 NCc1nc2c([nH]1)cccc2 1P00E9WH [0,1,0,1,0,0|1,0,1]=4 4563 B12R2.32 NCc1nc2c([nH]1)cccc2 1P00EAFQ [0,1,0,1,0,0|1,0,1]=4 4564 B12R2.32 O=CC1Cc2c(C1)cccc2 1P00C7D0 [0,1,0,1,0,0|1,0,0]=3 4565 B12R2.32 O=CN1Cc2c(C1)cccc2 1P00CXYD [0,1,0,1,0,0|2,0,0]=4 4566 B12R2.32 O=NN1Cc2c(C1)cccc2 1P0284Q1 [0,1,0,1,0,0|1,0,1]=4 4567 B12R2.32 OCC1Cc2c(C1)cccc2 1P00DBQM [0,1,0,1,0,0|1,0,0]=3 4568 B12R2.32 OCC1Cc2c(N1)cccc2 1P001AEN [0,1,0,1,0,0|0,0,0]=2 4569 B12R2.32 OCC1Cc2c(O1)cccc2 1P00FBQ0 [0,1,0,1,0,0|1,0,0]=3 4570 B12R2.32 OC[C@@H]1Cc2c(N1)cccc2 1P002US1 [0,1,0,1,0,0|0,0,0]=2 4571 B12R2.32 OC[C@H]1Cc2c(N1)cccc2 1P00ID99 [0,1,0,1,0,0|0,0,0]=2 4572 B12R2.32 OCc1cc2c([nH]1)cccc2 1P002PAK [0,1,0,1,0,0|0,0,2]=4 4573 B12R2.32 OCc1nc2c([nH]1)cccc2 1P003EU1 [0,1,0,1,0,0|1,0,1]=4 4574 B12R2.32 ON=C1Cc2c(C1)cccc2 1P003HWV [0,1,0,1,0,0|0,0,2]=4 4575 B12R2.32 SCc1nc2c([nH]1)cccc2 1P00J1NL [0,1,0,1,0,0|1,0,1]=4 4576 B12R2.37 CC1C(C1N)c2ccccc2 1P028KFB [0,1,0,1,0,0|0,0,0]=2 4577 B12R2.94 NC1(CC1)Cc2ccccc2 1P01ADMZ [0,1,0,1,0,0|0,0,0]=2 4578 B12R2.94 OC1(CC1)Cc2ccccc2 1P01AJWD [0,1,0,1,0,0|1,0,0]=3 4579 B12R2.2051 NCC1(C)Cc2c1cccc2 1P0292PX [0,1,0,1,0,0|0,0,0]=2 4580 B12R2.2058 C1CC(C1)Nc2ccccc2 1P019F77 [0,1,0,1,0,0|2,0,0]=4 4581 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [0,1,0,1,0,0|0,0,0]=2 4582 B12R2.2058 N1CC(=Cc2ccccc2)C1 1P027YZ9 [0,1,0,1,0,0|0,0,2]=4 4583 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [0,1,0,1,0,0|0,0,0]=2 4584 B12R2.2058 N1CC(C1)Cc2ccccn2 1P01ASP2 [0,1,0,1,0,0|1,0,0]=3 4585 B12R2.2058 N1CC(C1)Cc2cccnc2 1P01ASP1 [0,1,0,1,0,0|1,0,0]=3 4586 B12R2.2058 N1CC(C1)Cc2ccncc2 1P01ASP7 [0,1,0,1,0,0|1,0,0]=3 4587 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01BKLV [0,1,0,1,0,0|1,0,0]=3 4588 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01EKI0 [0,1,0,1,0,0|1,0,0]=3 4589 B12R2.2058 N1CC(C1)Oc2ccccc2 1P0038WI [0,1,0,1,0,0|1,0,0]=3 4590 B12R2.2058 N1CC(C1)Oc2ccccc2 1P00C2MF [0,1,0,1,0,0|1,0,0]=3 4591 B12R2.2058 N1CC(C1)Oc2ccccn2 1P01JM6Z [0,1,0,1,0,0|2,0,0]=4 4592 B12R2.2058 N1CC(C1)Oc2ccccn2 1P028M5C [0,1,0,1,0,0|2,0,0]=4 4593 B12R2.2058 N1CC(C1)Oc2cccnc2 1P00CGUT [0,1,0,1,0,0|2,0,0]=4 4594 B12R2.2058 N1CC(C1)Oc2cccnc2 1P01KJPG [0,1,0,1,0,0|2,0,0]=4 4595 B12R2.2058 N1CC(C1)Oc2ccncc2 1P00HILZ [0,1,0,1,0,0|2,0,0]=4 4596 B12R2.2058 N1CC(C1)Sc2ccccc2 1P01ATIC [0,1,0,1,0,0|1,0,0]=3 4597 B12R2.2058 O1CC(C1)Nc2ccccc2 1P01C1VA [0,1,0,1,0,0|2,0,0]=4 4598 B12R2.95 CC1(C)Cc2c(N1)cccc2 1P0022A7 [0,1,0,1,0,0|0,0,0]=2 4599 B12R2.95 CC1(C)Cc2c(O1)cccc2 1P00EA0R [0,1,0,1,0,0|1,0,0]=3 4600 B12R2.95 CC1(C)Oc2c(O1)cccc2 1P001CF4 [0,1,0,1,0,0|2,0,0]=4 4601 B12R2.95 CC1(N)Cc2c(C1)cccc2 1P007I8W [0,1,0,1,0,0|0,0,0]=2 4602 B12R2.95 CC1(N)Cc2c(C1)cccc2 1P00H3I5 [0,1,0,1,0,0|0,0,0]=2 4603 B12R2.95 CP1(=O)Cc2c(N1)cccc2 1P01IUPX [0,1,0,1,0,0|1,0,0]=3 4604 B12R2.95 O=S1(=O)Cc2c(C1)cccc2 1P002PM5 [0,1,0,1,0,0|2,0,0]=4 4605 B12R2.95 O=S1(=O)Cc2c(N1)cccc2 1P007TSN [0,1,0,1,0,0|2,0,0]=4 4606 B12R2.115 BrC1CC1c2ccccc2F 1P0292LD [0,1,0,1,0,0|1,0,0]=3 4607 B12R2.115 NC1CC1c2ccccc2Br 1P01ABGY [0,1,0,1,0,0|0,0,0]=2 4608 B12R2.115 NC1CC1c2ccccc2F 1P01AH4Q [0,1,0,1,0,0|0,0,0]=2 4609 B12R2.115 N[C@@H]1C[C@@H]1c2ccccc2F 1P024KHM [0,1,0,1,0,0|0,0,0]=2 4610 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2C 1P01B80J [0,1,0,1,0,0|0,0,0]=2 4611 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Cl 1P01B818 [0,1,0,1,0,0|0,0,0]=2 4612 B12R2.202 CC1=Cc2c(C1)c(Br)ccc2 1P004IKJ [0,1,0,1,0,0|1,0,1]=4 4613 B12R2.202 CC1Cc2c(O1)c(Br)ccc2 1P01BKVB [0,1,0,1,0,0|1,0,0]=3 4614 B12R2.202 CC1Cc2c(O1)c(Cl)ccc2 1P01AIYG [0,1,0,1,0,0|1,0,0]=3 4615 B12R2.202 CC1Cc2c(O1)c(N)ccc2 1P002SRN [0,1,0,1,0,0|1,0,0]=3 4616 B12R2.202 CC1Nc2c(C1)c(F)ccc2 1P0292UM [0,1,0,1,0,0|0,0,0]=2 4617 B12R2.202 CN1Cc2c(C1)cccc2N 1P01BGA1 [0,1,0,1,0,0|2,0,0]=4 4618 B12R2.202 Cc1[nH]c2c(c1)c(C)ccc2 1P008Y1E [0,1,0,1,0,0|0,0,2]=4 4619 B12R2.202 Cc1[nH]c2c(c1)cccc2C 1P00DK87 [0,1,0,1,0,0|0,0,2]=4 4620 B12R2.202 Cc1[nH]c2c(n1)cccc2C 1P002N8X [0,1,0,1,0,0|1,0,1]=4 4621 B12R2.202 Cc1cc2c([nH]1)c(Br)ccc2 1P002ZYT [0,1,0,1,0,0|0,0,2]=4 4622 B12R2.202 Cc1cc2c([nH]1)c(F)ccc2 1P00DXUE [0,1,0,1,0,0|0,0,2]=4 4623 B12R2.202 Cc1cc2c([nH]1)cccc2Br 1P00ED74 [0,1,0,1,0,0|0,0,2]=4 4624 B12R2.202 Cc1cc2c([nH]1)cccc2Cl 1P00EEM6 [0,1,0,1,0,0|0,0,2]=4 4625 B12R2.202 Cc1cc2c([nH]1)cccc2F 1P000R9C [0,1,0,1,0,0|0,0,2]=4 4626 B12R2.202 Cc1cc2c([nH]1)cccc2N 1P0023Y9 [0,1,0,1,0,0|0,0,2]=4 4627 B12R2.202 Cc1cc2c([nH]1)cccc2O 1P003I1Y [0,1,0,1,0,0|0,0,2]=4 4628 B12R2.202 Cc1nc2c([nH]1)c(Br)ccc2 1P0028MG [0,1,0,1,0,0|1,0,1]=4 4629 B12R2.202 Cc1nc2c([nH]1)c(N)ccc2 1P00J3OJ [0,1,0,1,0,0|1,0,1]=4 4630 B12R2.202 Cc1nc2c([nH]1)cccc2Cl 1P003LKC [0,1,0,1,0,0|1,0,1]=4 4631 B12R2.202 Cc1nc2c([nH]1)cccc2F 1P00AOWU [0,1,0,1,0,0|1,0,1]=4 4632 B12R2.202 Cc1nc2c([nH]1)cccc2O 1P00IJ4S [0,1,0,1,0,0|1,0,1]=4 4633 B12R2.202 FC1Cc2c(C1)cccc2Br 1P023Q4D [0,1,0,1,0,0|1,0,0]=3 4634 B12R2.202 NC1Cc2c(C1)cccc2C 1P028GW3 [0,1,0,1,0,0|0,0,0]=2 4635 B12R2.202 NC1Cc2c(C1)cccc2Cl 1P028RSQ [0,1,0,1,0,0|0,0,0]=2 4636 B12R2.202 NC1Cc2c(C1)cccc2O 1P01ADDD [0,1,0,1,0,0|0,0,0]=2 4637 B12R2.202 O=C1Cc2c(C1)cccc2Br 1P0038V7 [0,1,0,1,0,0|1,0,1]=4 4638 B12R2.202 O=C1Cc2c(C1)cccc2Cl 1P0036Z2 [0,1,0,1,0,0|1,0,1]=4 4639 B12R2.202 O=C1Cc2c(C1)cccc2F 1P008UUM [0,1,0,1,0,0|1,0,1]=4 4640 B12R2.202 O=C1Cc2c(N1)c(Br)ccc2 1P0037U6 [0,1,0,1,0,0|1,0,1]=4 4641 B12R2.202 O=C1Cc2c(N1)c(Cl)ccc2 1P006VKK [0,1,0,1,0,0|1,0,1]=4 4642 B12R2.202 O=C1Cc2c(N1)c(F)ccc2 1P0034V0 [0,1,0,1,0,0|1,0,1]=4 4643 B12R2.202 O=C1Cc2c(N1)c(N)ccc2 1P007NUN [0,1,0,1,0,0|1,0,1]=4 4644 B12R2.202 O=C1Nc2c(C1)c(Br)ccc2 1P0034F9 [0,1,0,1,0,0|1,0,1]=4 4645 B12R2.202 O=C1Nc2c(C1)c(C)ccc2 1P0010TH [0,1,0,1,0,0|1,0,1]=4 4646 B12R2.202 O=C1Nc2c(C1)c(Cl)ccc2 1P002KBE [0,1,0,1,0,0|1,0,1]=4 4647 B12R2.202 O=C1Nc2c(C1)c(F)ccc2 1P00191Z [0,1,0,1,0,0|1,0,1]=4 4648 B12R2.202 O=C1Nc2c(C1)c(I)ccc2 1P0027IT [0,1,0,1,0,0|1,0,1]=4 4649 B12R2.202 O=C1Nc2c(C1)c(N)ccc2 1P00DGLJ [0,1,0,1,0,0|1,0,1]=4 4650 B12R2.202 O=C1Nc2c(C1)c(N)ccc2 1P028EB4 [0,1,0,1,0,0|1,0,1]=4 4651 B12R2.202 O=C1Nc2c(C1)c(O)ccc2 1P0071F2 [0,1,0,1,0,0|1,0,1]=4 4652 B12R2.202 OC1Cc2c(C1)cccc2Br 1P000NP6 [0,1,0,1,0,0|1,0,0]=3 4653 B12R2.202 OC1Cc2c(C1)cccc2Cl 1P0289SC [0,1,0,1,0,0|1,0,0]=3 4654 B12R2.202 OC1Cc2c(C1)cccc2N 1P019S09 [0,1,0,1,0,0|1,0,0]=3 4655 B12R2.225 Brc1ccccc1CC2CC2 1P01K6GK [0,1,0,1,0,0|1,0,0]=3 4656 B12R2.225 Brc1ccccc1OC2CC2 1P00CLSL [0,1,0,1,0,0|2,0,0]=4 4657 B12R2.225 Brc1ccccc1SC2CC2 1P01DVHL [0,1,0,1,0,0|2,0,0]=4 4658 B12R2.225 Fc1ccccc1OC2CC2 1P009WLU [0,1,0,1,0,0|2,0,0]=4 4659 B12R2.225 Nc1ccccc1NC2CC2 1P0092NW [0,1,0,1,0,0|2,0,0]=4 4660 B12R2.225 Nc1ccccc1NC2CC2 1P01AB7F [0,1,0,1,0,0|2,0,0]=4 4661 B12R2.225 Nc1ccccc1OC2CC2 1P027YH8 [0,1,0,1,0,0|2,0,0]=4 4662 B12R2.225 Nc1ccccc1SC2CC2 1P027TY3 [0,1,0,1,0,0|2,0,0]=4 4663 B12R2.225 Oc1ccccc1CC2CC2 1P00I71Z [0,1,0,1,0,0|1,0,0]=3 4664 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)Cl 1P028EXQ [0,1,0,1,0,0|1,0,0]=3 4665 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)F 1P01BG41 [0,1,0,1,0,0|1,0,0]=3 4666 B12R2.80 F[C@@H]1C[C@H]1c2cccc(c2)O 1P028WNO [0,1,0,1,0,0|1,0,0]=3 4667 B12R2.80 F[C@H]1C[C@H]1c2cccc(c2)O 1P027Z92 [0,1,0,1,0,0|1,0,0]=3 4668 B12R2.80 NC1CC1c2cccc(c2)Br 1P01AH3C [0,1,0,1,0,0|0,0,0]=2 4669 B12R2.80 NC1CC1c2cccc(c2)Cl 1P003ANK [0,1,0,1,0,0|0,0,0]=2 4670 B12R2.80 NC1CC1c2cccc(c2)Cl 1P019EF0 [0,1,0,1,0,0|0,0,0]=2 4671 B12R2.80 NC1CC1c2cccc(c2)F 1P000PC4 [0,1,0,1,0,0|0,0,0]=2 4672 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)Br 1P009YVM [0,1,0,1,0,0|0,0,0]=2 4673 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)F 1P01BGH8 [0,1,0,1,0,0|0,0,0]=2 4674 B12R2.1286 Brc1cccc(c1)CC2CC2 1P01M3R2 [0,1,0,1,0,0|1,0,0]=3 4675 B12R2.1286 Brc1cccc(c1)OC2CC2 1P003AFO [0,1,0,1,0,0|2,0,0]=4 4676 B12R2.1286 Fc1cccc(c1)CC2CO2 1P01BOC8 [0,1,0,1,0,0|1,0,0]=3 4677 B12R2.1286 Nc1cccc(c1)NC2CC2 1P019WQA [0,1,0,1,0,0|2,0,0]=4 4678 B12R2.1286 Nc1cccc(c1)OC2CC2 1P028O99 [0,1,0,1,0,0|2,0,0]=4 4679 B12R2.1286 Oc1cccc(c1)CC2N=N2 1P0280E7 [0,1,0,1,0,0|1,0,1]=4 4680 B12R2.1286 Oc1cccc(c1)NC2CC2 1P01B7MX [0,1,0,1,0,0|2,0,0]=4 4681 B12R2.1286 Oc1cccc(c1)OC2CC2 1P00CIRZ [0,1,0,1,0,0|2,0,0]=4 4682 B12R3.12 c1ccc2c(c1)C3OC3C2 1P005ULA [0,0,0,2,0,0|1,0,0]=3 4683 B8R1.8 BrCCc1cccs1 1P002TU6 [1,0,0,0,1,0|2,0,0]=4 4684 B8R1.8 BrCCc1cscc1 1P00EEU2 [1,0,0,0,1,0|2,0,0]=4 4685 B8R1.8 BrCCn1cccc1 1P003DA3 [1,0,0,0,1,0|2,0,0]=4 4686 B8R1.8 CCCc1c[nH]nc1 1P00I4HL [1,0,0,0,1,0|2,0,0]=4 4687 B8R1.8 CCCc1cc[nH]n1 1P005UQF [1,0,0,0,1,0|2,0,0]=4 4688 B8R1.8 CCCc1ccc[nH]1 1P007FSL [1,0,0,0,1,0|1,0,0]=3 4689 B8R1.8 CCCc1cccs1 1P003IDK [1,0,0,0,1,0|1,0,0]=3 4690 B8R1.8 CCCc1cocn1 1P023RY6 [1,0,0,0,1,0|2,0,0]=4 4691 B8R1.8 CCCc1cscc1 1P003KB0 [1,0,0,0,1,0|1,0,0]=3 4692 B8R1.8 CCCc1ncc[nH]1 1P003IDI [1,0,0,0,1,0|2,0,0]=4 4693 B8R1.8 CCCc1nccs1 1P00250A [1,0,0,0,1,0|2,0,0]=4 4694 B8R1.8 CCCn1cccn1 1P003F3X [1,0,0,0,1,0|2,0,0]=4 4695 B8R1.8 CCCn1cncc1 1P0032P5 [1,0,0,0,1,0|2,0,0]=4 4696 B8R1.8 CCNc1cscc1 1P027WY1 [1,0,0,0,1,0|2,0,0]=4 4697 B8R1.8 CCOc1cccs1 1P01HY7F [1,0,0,0,1,0|2,0,0]=4 4698 B8R1.8 CCOc1cscc1 1P000BFR [1,0,0,0,1,0|2,0,0]=4 4699 B8R1.8 CNCc1ccc[nH]1 1P002S02 [1,0,0,0,1,0|2,0,0]=4 4700 B8R1.8 CNCc1ccc[nH]1 1P027XEF [1,0,0,0,1,0|2,0,0]=4 4701 B8R1.8 CNCc1ccco1 1P00D8RX [1,0,0,0,1,0|2,0,0]=4 4702 B8R1.8 CNCc1cccs1 1P003TMJ [1,0,0,0,1,0|2,0,0]=4 4703 B8R1.8 CNCc1cccs1 1P003TMK [1,0,0,0,1,0|2,0,0]=4 4704 B8R1.8 CNCc1cocc1 1P002MAS [1,0,0,0,1,0|2,0,0]=4 4705 B8R1.8 CNCc1cscc1 1P002LC2 [1,0,0,0,1,0|2,0,0]=4 4706 B8R1.8 CNCc1cscc1 1P01EJFU [1,0,0,0,1,0|2,0,0]=4 4707 B8R1.8 COCc1cccs1 1P001LLJ [1,0,0,0,1,0|2,0,0]=4 4708 B8R1.8 COCc1cscc1 1P028GT6 [1,0,0,0,1,0|2,0,0]=4 4709 B8R1.8 COCn1cccc1 1P00ID6X [1,0,0,0,1,0|2,0,0]=4 4710 B8R1.8 CSCc1ccco1 1P003R63 [1,0,0,0,1,0|2,0,0]=4 4711 B8R1.8 ClCCc1cccs1 1P002CY4 [1,0,0,0,1,0|2,0,0]=4 4712 B8R1.8 ClCCn1cccc1 1P003DAD [1,0,0,0,1,0|2,0,0]=4 4713 B8R1.8 NCCc1[nH]cnc1 1P002N9R [1,0,0,0,1,0|2,0,0]=4 4714 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [1,0,0,0,1,0|1,0,0]=3 4715 B8R1.8 NCCc1c[nH]cn1 1P0037UP [1,0,0,0,1,0|2,0,0]=4 4716 B8R1.8 NCCc1c[nH]nc1 1P00742Z [1,0,0,0,1,0|2,0,0]=4 4717 B8R1.8 NCCc1c[nH]nc1 1P01BCHB [1,0,0,0,1,0|2,0,0]=4 4718 B8R1.8 NCCc1cc[nH]n1 1P0085RD [1,0,0,0,1,0|2,0,0]=4 4719 B8R1.8 NCCc1cc[nH]n1 1P009FIS [1,0,0,0,1,0|2,0,0]=4 4720 B8R1.8 NCCc1ccc[nH]1 1P003F9F [1,0,0,0,1,0|1,0,0]=3 4721 B8R1.8 NCCc1ccco1 1P003HT8 [1,0,0,0,1,0|1,0,0]=3 4722 B8R1.8 NCCc1ccco1 1P00J3S8 [1,0,0,0,1,0|1,0,0]=3 4723 B8R1.8 NCCc1cccs1 1P0030KO [1,0,0,0,1,0|1,0,0]=3 4724 B8R1.8 NCCc1ccno1 1P01BRWE [1,0,0,0,1,0|2,0,0]=4 4725 B8R1.8 NCCc1ccno1 1P0286ZF [1,0,0,0,1,0|2,0,0]=4 4726 B8R1.8 NCCc1ccon1 1P01A2VX [1,0,0,0,1,0|2,0,0]=4 4727 B8R1.8 NCCc1cocc1 1P01ADC8 [1,0,0,0,1,0|1,0,0]=3 4728 B8R1.8 NCCc1cocc1 1P01B713 [1,0,0,0,1,0|1,0,0]=3 4729 B8R1.8 NCCc1conc1 1P00HF7E [1,0,0,0,1,0|2,0,0]=4 4730 B8R1.8 NCCc1cscc1 1P0038IN [1,0,0,0,1,0|1,0,0]=3 4731 B8R1.8 NCCc1cscc1 1P00EA5P [1,0,0,0,1,0|1,0,0]=3 4732 B8R1.8 NCCc1cscn1 1P008NUY [1,0,0,0,1,0|2,0,0]=4 4733 B8R1.8 NCCc1nc[nH]c1 1P0035GO [1,0,0,0,1,0|2,0,0]=4 4734 B8R1.8 NCCc1nc[nH]c1 1P003REF [1,0,0,0,1,0|2,0,0]=4 4735 B8R1.8 NCCc1ncc[nH]1 1P00I025 [1,0,0,0,1,0|2,0,0]=4 4736 B8R1.8 NCCc1ncco1 1P0284E7 [1,0,0,0,1,0|2,0,0]=4 4737 B8R1.8 NCCc1nccs1 1P003AOM [1,0,0,0,1,0|2,0,0]=4 4738 B8R1.8 NCCc1nccs1 1P0075VS [1,0,0,0,1,0|2,0,0]=4 4739 B8R1.8 NCCc1ncoc1 1P024XO7 [1,0,0,0,1,0|2,0,0]=4 4740 B8R1.8 NCCc1ncoc1 1P028SJK [1,0,0,0,1,0|2,0,0]=4 4741 B8R1.8 NCCc1ncsc1 1P00G8VN [1,0,0,0,1,0|2,0,0]=4 4742 B8R1.8 NCCc1ocnc1 1P028E9Y [1,0,0,0,1,0|2,0,0]=4 4743 B8R1.8 NCCc1scnc1 1P00G9Z1 [1,0,0,0,1,0|2,0,0]=4 4744 B8R1.8 NCCn1cccc1 1P002ZMK [1,0,0,0,1,0|1,0,0]=3 4745 B8R1.8 NCCn1cccn1 1P0004UZ [1,0,0,0,1,0|2,0,0]=4 4746 B8R1.8 NCCn1cccn1 1P00J1AE [1,0,0,0,1,0|2,0,0]=4 4747 B8R1.8 NCCn1cncc1 1P003F64 [1,0,0,0,1,0|2,0,0]=4 4748 B8R1.8 NCCn1cncc1 1P00APN2 [1,0,0,0,1,0|2,0,0]=4 4749 B8R1.8 NCCn1cncc1 1P00J9QA [1,0,0,0,1,0|2,0,0]=4 4750 B8R1.8 NNCc1cccs1 1P00J317 [1,0,0,0,1,0|2,0,0]=4 4751 B8R1.8 NNCc1cscc1 1P01BDCM [1,0,0,0,1,0|2,0,0]=4 4752 B8R1.8 NNCc1cscc1 1P01BDDR [1,0,0,0,1,0|2,0,0]=4 4753 B8R1.8 NOCc1cccs1 1P01P0SG [1,0,0,0,1,0|2,0,0]=4 4754 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [1,0,0,0,1,0|2,0,0]=4 4755 B8R1.8 OCCc1ccco1 1P00BZB3 [1,0,0,0,1,0|2,0,0]=4 4756 B8R1.8 OCCc1cccs1 1P0033WO [1,0,0,0,1,0|2,0,0]=4 4757 B8R1.8 OCCc1cocc1 1P0037R8 [1,0,0,0,1,0|2,0,0]=4 4758 B8R1.8 OCCc1cscc1 1P0014C9 [1,0,0,0,1,0|2,0,0]=4 4759 B8R1.8 OCCn1cccc1 1P003DBI [1,0,0,0,1,0|2,0,0]=4 4760 B8R1.8 SCCc1ccco1 1P01HNHQ [1,0,0,0,1,0|2,0,0]=4 4761 B8R1.8 SCCc1cccs1 1P01HCS8 [1,0,0,0,1,0|2,0,0]=4 4762 B8R1.8 SCCc1cscc1 1P028DTF [1,0,0,0,1,0|2,0,0]=4 4763 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [0,0,0,0,2,0|1,0,1]=4 4764 B8R1.7 CC([C-]1C=CC=C1)O 1P000XSK [0,0,0,0,2,0|1,0,1]=4 4765 B8R1.7 CC(c1[nH]cnc1)N 1P01K4D3 [0,0,0,0,2,0|2,0,0]=4 4766 B8R1.7 CC(c1c[nH]cc1)N 1P01A4UJ [0,0,0,0,2,0|1,0,0]=3 4767 B8R1.7 CC(c1c[nH]nc1)N 1P01A3A5 [0,0,0,0,2,0|2,0,0]=4 4768 B8R1.7 CC(c1c[nH]nc1)N 1P01AF15 [0,0,0,0,2,0|2,0,0]=4 4769 B8R1.7 CC(c1c[nH]nc1)N 1P028UUT [0,0,0,0,2,0|2,0,0]=4 4770 B8R1.7 CC(c1cc[nH]n1)N 1P0092LE [0,0,0,0,2,0|2,0,0]=4 4771 B8R1.7 CC(c1cc[nH]n1)N 1P00AO49 [0,0,0,0,2,0|2,0,0]=4 4772 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [0,0,0,0,2,0|1,0,0]=3 4773 B8R1.7 CC(c1ccco1)C 1P003HYG [0,0,0,0,2,0|2,0,0]=4 4774 B8R1.7 CC(c1ccco1)N 1P00BDMZ [0,0,0,0,2,0|1,0,0]=3 4775 B8R1.7 CC(c1ccco1)N 1P019N05 [0,0,0,0,2,0|1,0,0]=3 4776 B8R1.7 CC(c1ccco1)O 1P00I8MZ [0,0,0,0,2,0|2,0,0]=4 4777 B8R1.7 CC(c1ccco1)S 1P01A8IC [0,0,0,0,2,0|2,0,0]=4 4778 B8R1.7 CC(c1cccs1)N 1P0032QU [0,0,0,0,2,0|1,0,0]=3 4779 B8R1.7 CC(c1cccs1)N 1P00ATK3 [0,0,0,0,2,0|1,0,0]=3 4780 B8R1.7 CC(c1cccs1)O 1P002MMU [0,0,0,0,2,0|2,0,0]=4 4781 B8R1.7 CC(c1cccs1)S 1P01AKH2 [0,0,0,0,2,0|2,0,0]=4 4782 B8R1.7 CC(c1ccns1)N 1P01BY3O [0,0,0,0,2,0|2,0,0]=4 4783 B8R1.7 CC(c1ccns1)N 1P01BY4V [0,0,0,0,2,0|2,0,0]=4 4784 B8R1.7 CC(c1ccon1)N 1P01A3YI [0,0,0,0,2,0|2,0,0]=4 4785 B8R1.7 CC(c1ccon1)N 1P01AF6D [0,0,0,0,2,0|2,0,0]=4 4786 B8R1.7 CC(c1cncs1)N 1P0099H5 [0,0,0,0,2,0|2,0,0]=4 4787 B8R1.7 CC(c1cncs1)N 1P01EII7 [0,0,0,0,2,0|2,0,0]=4 4788 B8R1.7 CC(c1cocc1)N 1P00BDB1 [0,0,0,0,2,0|1,0,0]=3 4789 B8R1.7 CC(c1cocc1)N 1P01A1FQ [0,0,0,0,2,0|1,0,0]=3 4790 B8R1.7 CC(c1cocc1)S 1P0291JO [0,0,0,0,2,0|2,0,0]=4 4791 B8R1.7 CC(c1cocn1)N 1P0286V2 [0,0,0,0,2,0|2,0,0]=4 4792 B8R1.7 CC(c1cscc1)N 1P008U4D [0,0,0,0,2,0|1,0,0]=3 4793 B8R1.7 CC(c1cscc1)O 1P00AT04 [0,0,0,0,2,0|2,0,0]=4 4794 B8R1.7 CC(c1cscn1)N 1P0089QY [0,0,0,0,2,0|2,0,0]=4 4795 B8R1.7 CC(c1csnc1)N 1P027Z0S [0,0,0,0,2,0|2,0,0]=4 4796 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [0,0,0,0,2,0|2,0,0]=4 4797 B8R1.7 CC(c1ncc[nH]1)N 1P00J2U6 [0,0,0,0,2,0|2,0,0]=4 4798 B8R1.7 CC(c1ncco1)N 1P00HBMP [0,0,0,0,2,0|2,0,0]=4 4799 B8R1.7 CC(c1ncco1)N 1P01BDX7 [0,0,0,0,2,0|2,0,0]=4 4800 B8R1.7 CC(c1nccs1)N 1P003DCD [0,0,0,0,2,0|2,0,0]=4 4801 B8R1.7 CC(c1nccs1)N 1P003DCE [0,0,0,0,2,0|2,0,0]=4 4802 B8R1.7 CC(c1ocnc1)N 1P01EIHC [0,0,0,0,2,0|2,0,0]=4 4803 B8R1.7 CC(c1scnc1)N 1P024UN9 [0,0,0,0,2,0|2,0,0]=4 4804 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [0,0,0,0,2,0|2,0,0]=4 4805 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [0,0,0,0,2,0|1,0,0]=3 4806 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [0,0,0,0,2,0|1,0,0]=3 4807 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [0,0,0,0,2,0|2,0,0]=4 4808 B8R1.7 C[C@@H](c1cocc1)N 1P01KKHI [0,0,0,0,2,0|1,0,0]=3 4809 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [0,0,0,0,2,0|2,0,0]=4 4810 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [0,0,0,0,2,0|1,0,0]=3 4811 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [0,0,0,0,2,0|1,0,0]=3 4812 B8R1.7 C[C@@H](c1ncc[nH]1)N 1P01ALS4 [0,0,0,0,2,0|2,0,0]=4 4813 B8R1.7 C[C@@H](c1nccs1)N 1P01KKJR [0,0,0,0,2,0|2,0,0]=4 4814 B8R1.7 C[C@@H](c1ncsc1)N 1P01K4C3 [0,0,0,0,2,0|2,0,0]=4 4815 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [0,0,0,0,2,0|2,0,0]=4 4816 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [0,0,0,0,2,0|1,0,0]=3 4817 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [0,0,0,0,2,0|2,0,0]=4 4818 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [0,0,0,0,2,0|1,0,0]=3 4819 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [0,0,0,0,2,0|1,0,0]=3 4820 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [0,0,0,0,2,0|2,0,0]=4 4821 B8R1.7 C[C@H](c1cocc1)N 1P028M77 [0,0,0,0,2,0|1,0,0]=3 4822 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [0,0,0,0,2,0|2,0,0]=4 4823 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [0,0,0,0,2,0|1,0,0]=3 4824 B8R1.7 C[C@H](c1ncc[nH]1)N 1P01AM7T [0,0,0,0,2,0|2,0,0]=4 4825 B8R1.7 C[C@H](c1nccs1)N 1P00IN44 [0,0,0,0,2,0|2,0,0]=4 4826 B8R1.7 C[C@H](c1ncsc1)N 1P01K4RV [0,0,0,0,2,0|2,0,0]=4 4827 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [0,0,0,0,2,0|2,0,0]=4 4828 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [0,0,0,0,0,2|1,0,1]=4 4829 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [0,0,0,0,0,2|1,0,1]=4 4830 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [0,0,0,0,0,2|1,0,1]=4 4831 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [0,0,0,0,0,2|1,0,1]=4 4832 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [0,0,0,0,0,2|1,0,1]=4 4833 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [0,0,0,0,0,2|1,0,1]=4 4834 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [0,0,0,0,0,2|1,0,1]=4 4835 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [0,0,0,0,0,2|1,0,1]=4 4836 B12R1.252 CC(CC#Cc1cccnc1)O 1P01BCMO [0,0,0,0,0,2|2,0,0]=4 4837 B12R1.252 CC(CCCc1cccnc1)N 1P01C2VH [0,0,0,0,0,2|1,0,0]=3 4838 B12R1.252 CC(CCCc1cccnc1)O 1P00993S [0,0,0,0,0,2|2,0,0]=4 4839 B12R1.252 CC(CCCc1ccncc1)C 1P006ZMZ [0,0,0,0,0,2|2,0,0]=4 4840 B12R1.252 CC(CCCc1ccncc1)O 1P01FFWJ [0,0,0,0,0,2|2,0,0]=4 4841 B12R1.252 CC(CCOc1ccccc1)Br 1P028JQH [0,0,0,0,0,2|1,0,0]=3 4842 B12R1.252 CC(CCOc1ccccc1)C 1P019PLP [0,0,0,0,0,2|1,0,0]=3 4843 B12R1.252 CC(CCOc1ccccc1)N 1P0293LA [0,0,0,0,0,2|0,0,0]=2 4844 B12R1.252 CC(CCSc1ccccc1)Br 1P019TVW [0,0,0,0,0,2|1,0,0]=3 4845 B12R1.252 CC(CNCc1ccccc1)C 1P00C68I [0,0,0,0,0,2|1,0,0]=3 4846 B12R1.252 CC(CNCc1ccccc1)C 1P00J1WC [0,0,0,0,0,2|1,0,0]=3 4847 B12R1.252 CC(CNCc1ccccc1)O 1P003DIQ [0,0,0,0,0,2|1,0,0]=3 4848 B12R1.252 CC(CNCc1ccccn1)C 1P00427Z [0,0,0,0,0,2|2,0,0]=4 4849 B12R1.252 CC(CNCc1cccnc1)C 1P00J3Z1 [0,0,0,0,0,2|2,0,0]=4 4850 B12R1.252 CC(CNCc1ccncc1)C 1P00J4FX [0,0,0,0,0,2|2,0,0]=4 4851 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [0,0,0,0,0,2|1,0,0]=3 4852 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [0,0,0,0,0,2|0,0,0]=2 4853 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [0,0,0,0,0,2|1,0,0]=3 4854 B12R1.252 CC(CSCc1ccccc1)N 1P01EIPM [0,0,0,0,0,2|0,0,0]=2 4855 B12R1.252 CC(NCCc1ccccc1)C 1P00CKHN [0,0,0,0,0,2|1,0,0]=3 4856 B12R1.252 CC(NCCc1ccccc1)C 1P00DBBY [0,0,0,0,0,2|1,0,0]=3 4857 B12R1.252 CC(OCCc1ccccn1)C 1P005H4T [0,0,0,0,0,2|2,0,0]=4 4858 B12R1.252 CN(CCCc1ccccc1)C 1P007R8A [0,0,0,0,0,2|2,0,0]=4 4859 B12R1.252 CN(CCNc1ccccc1)C 1P00FVF1 [0,0,0,0,0,2|2,0,0]=4 4860 B12R1.252 CN(CCOc1ccccc1)C 1P0080C8 [0,0,0,0,0,2|2,0,0]=4 4861 B12R1.252 C[C@@H](CCOc1ccccc1)N 1P0293Q3 [0,0,0,0,0,2|0,0,0]=2 4862 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [0,0,0,0,0,2|0,0,0]=2 4863 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [0,0,0,0,0,2|1,0,0]=3 4864 B12R1.252 C[C@H](CCOc1ccccc1)N 1P027TZ6 [0,0,0,0,0,2|0,0,0]=2 4865 B12R1.252 C[C@H](CNCc1ccncc1)O 1P028A6Y [0,0,0,0,0,2|2,0,0]=4 4866 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [0,0,0,0,0,2|0,0,0]=2 4867 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [0,0,0,0,0,2|1,0,0]=3 4868 B12R1.252 FC(CNCc1ccccc1)F 1P00JGHM [0,0,0,0,0,2|2,0,0]=4 4869 B12R1.252 NC(=N)CCCc1ccccc1 1P01OUQG [0,0,0,0,0,2|1,0,1]=4 4870 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [0,0,0,0,0,2|1,0,1]=4 4871 B12R1.252 NC(=N)CSCc1ccccc1 1P01B1SE [0,0,0,0,0,2|1,0,1]=4 4872 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [0,0,0,0,0,2|1,0,1]=4 4873 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [0,0,0,0,0,2|1,0,1]=4 4874 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [0,0,0,0,0,2|1,0,1]=4 4875 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [0,0,0,0,0,2|1,0,1]=4 4876 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [0,0,0,0,0,2|1,0,1]=4 4877 B12R1.252 NC(=S)CCCc1ccccc1 1P0025WL [0,0,0,0,0,2|1,0,1]=4 4878 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [0,0,0,0,0,2|1,0,1]=4 4879 B12R1.252 NC(=S)NCCc1ccccc1 1P003SQO [0,0,0,0,0,2|1,0,1]=4