0 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 BrC(=Cc1ccccc1)Br 1P003C10 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 CC(=O)Cc1cnccn1 1P005PPF [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.18 CC(=O)Nc1ccccn1 1P003GRA [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 CC(=O)Nc1cccnc1 1P003J9F [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 CC(=O)Nc1ccncc1 1P00DD6H [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 CC(=O)Nc1ccncn1 1P00AT0I [0,0,0,0,0,0|3,0,0]=3 16 B10R1.18 CC(=O)Nc1ncccn1 1P000V1A [0,0,0,0,0,0|3,0,0]=3 17 B10R1.18 CC(=O)OC1=CCCCC1 1P003EPT [0,0,0,0,0,0|0,0,4]=4 18 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [0,0,0,0,0,0|0,0,0]=0 19 B10R1.18 CC(=O)Oc1cccnc1 1P0025SK [0,0,0,0,0,0|1,0,0]=1 20 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [0,0,0,0,0,0|0,1,0]=1 21 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [0,0,0,0,0,0|1,1,0]=2 22 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [0,0,0,0,0,0|2,0,1]=3 23 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [0,0,0,0,0,0|2,0,1]=3 24 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,0,0,0,0,0|1,0,2]=3 25 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [0,0,0,0,0,0|3,0,1]=4 26 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [0,0,0,0,0,0|2,0,2]=4 28 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,0,0,0,0,0|3,0,1]=4 29 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,0,0,0,0,0|2,0,2]=4 31 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [0,0,0,0,0,0|3,0,1]=4 32 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [0,0,0,0,0,0|2,0,2]=4 34 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [0,0,0,0,0,0|2,0,1]=3 35 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [0,0,0,0,0,0|3,0,1]=4 36 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [0,0,0,0,0,0|1,0,1]=2 38 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.18 CC(Oc1ccncc1)C 1P00DC8D [0,0,0,0,0,0|2,0,1]=3 41 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [0,0,0,0,0,0|3,0,1]=4 42 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [0,0,0,0,0,0|3,0,0]=3 43 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [0,0,0,0,0,0|2,0,1]=3 44 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [0,0,0,0,0,0|4,0,0]=4 45 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [0,0,0,0,0,0|4,0,0]=4 46 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [0,0,0,0,0,0|4,0,0]=4 47 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [0,0,0,0,0,0|3,0,0]=3 48 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,0,0,0,0,0|1,0,2]=3 49 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,0,0,0,0,0|1,0,2]=3 50 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [0,0,0,0,0,0|2,1,0]=3 51 B10R1.18 ClC(=Cc1ccccc1)Cl 1P00FH9O [0,0,0,0,0,0|3,0,0]=3 52 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [0,0,0,0,0,0|2,0,0]=2 53 B10R1.18 ClC(=O)Nc1ccccc1 1P01B2IA [0,0,0,0,0,0|2,0,0]=2 54 B10R1.18 ClC(=O)Nc1ccncc1 1P01A60B [0,0,0,0,0,0|3,0,0]=3 55 B10R1.18 ClC(=S)Oc1ccccc1 1P0002M7 [0,0,0,0,0,0|1,1,0]=2 56 B10R1.18 ClC(=S)Sc1ccccc1 1P001YYN [0,0,0,0,0,0|1,2,0]=3 57 B10R1.18 ClC([SiH2]c1ccccc1)Cl 1P001LSR [0,0,0,0,0,0|3,0,1]=4 58 B10R1.18 FC(Oc1ccccc1)F 1P0032NU [0,0,0,0,0,0|2,0,1]=3 59 B10R1.18 FC(Oc1cccnc1)F 1P019XOW [0,0,0,0,0,0|3,0,1]=4 60 B10R1.18 FC(Sc1ccccc1)F 1P00B00G [0,0,0,0,0,0|2,1,1]=4 61 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,0,0,0,0,0|3,0,0]=3 62 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [0,0,0,0,0,0|4,0,0]=4 63 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [0,0,0,0,0,0|4,0,0]=4 65 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [0,0,0,0,0,0|4,0,0]=4 66 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [0,0,0,0,0,0|3,0,0]=3 67 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [0,0,0,0,0,0|3,0,0]=3 68 B10R1.18 NC(=N)Nc1cccnc1 1P02804D [0,0,0,0,0,0|4,0,0]=4 69 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [0,0,0,0,0,0|3,0,0]=3 70 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,0,0,0,0,0|2,0,0]=2 71 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.18 NC(=O)Cc1cncnc1 1P00E15B [0,0,0,0,0,0|4,0,0]=4 75 B10R1.18 NC(=O)Cc1ncccn1 1P00171T [0,0,0,0,0,0|4,0,0]=4 76 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [0,0,0,0,0,0|2,0,0]=2 77 B10R1.18 NC(=O)Nc1ccccn1 1P000W31 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.18 NC(=O)Nc1cccnc1 1P000W30 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.18 NC(=O)Nc1ccncc1 1P0011DS [0,0,0,0,0,0|3,0,0]=3 80 B10R1.18 NC(=O)Nc1cnccn1 1P00IEKK [0,0,0,0,0,0|4,0,0]=4 81 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [0,0,0,0,0,0|1,0,0]=1 82 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,0,0,0,0,0|2,1,0]=3 83 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [0,0,0,0,0,0|3,1,0]=4 84 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [0,0,0,0,0,0|3,1,0]=4 85 B10R1.18 NC(=S)Nc1ccccn1 1P003BQD [0,0,0,0,0,0|3,1,0]=4 86 B10R1.18 NC(=S)Nc1cccnc1 1P003KD0 [0,0,0,0,0,0|3,1,0]=4 87 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.18 OC(=O)C[n+]1ccccc1 1P01EUQ6 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.18 OC(=O)Cc1ccccn1 1P001WD0 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.18 OC(=O)Cc1cccnc1 1P00348U [0,0,0,0,0,0|3,0,0]=3 93 B10R1.18 OC(=O)Cc1cccnc1 1P00I9F0 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.18 OC(=O)Cc1ccncc1 1P0034LT [0,0,0,0,0,0|3,0,0]=3 95 B10R1.18 OC(=O)Cc1ccncc1 1P00BCK4 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.18 OC(=O)Cc1ccnnc1 1P00HYGS [0,0,0,0,0,0|4,0,0]=4 97 B10R1.18 OC(=O)Cc1cnccn1 1P001DGI [0,0,0,0,0,0|4,0,0]=4 98 B10R1.18 OC(=O)Cc1cncnc1 1P0034RS [0,0,0,0,0,0|4,0,0]=4 99 B10R1.18 OC(=O)Cc1cncnc1 1P01BFQH [0,0,0,0,0,0|4,0,0]=4 100 B10R1.18 OC(=O)Cc1ncccn1 1P0033WG [0,0,0,0,0,0|4,0,0]=4 101 B10R1.18 OC(=O)Nc1ccccc1 1P007CT0 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [0,0,0,0,0,0|3,0,0]=3 103 B10R1.18 [O-]C(=O)C[n+]1ccccc1 1P00EKK8 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.18 [O-]C(=O)Cc1cccnn1 1P00IL7P [0,0,0,0,0,0|4,0,0]=4 105 B10R1.18 [O-]C(=O)Cc1cccnn1 1P027YSR [0,0,0,0,0,0|4,0,0]=4 106 B10R1.18 [O-]C(=O)Cc1cnccn1 1P01B83X [0,0,0,0,0,0|4,0,0]=4 107 B10R1.18 [O-]C(=O)Cc1ncccn1 1P00IBME [0,0,0,0,0,0|4,0,0]=4 108 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [0,0,0,0,0,0|3,0,0]=3 109 B10R1.18 [O-][N+](=Cc1ccccc1)C 1P007JA1 [0,0,0,0,0,0|2,0,1]=3 110 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [0,0,0,0,0,0|3,0,0]=3 111 B10R1.18 [O-]\[N+](=C/c1ccncc1)\C 1P01DL2Z [0,0,0,0,0,0|3,0,1]=4 112 B9R1.8 BrC#Cc1ccccc1 1P00GZ49 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 BrCCc1ccccc1 1P003EKU [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 Br\C=C/c1cccnc1 1P00A7DJ [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 Br\C=C\c1ccccc1 1P003OMN [1,0,0,0,0,0|2,0,0]=3 116 B9R1.8 C=CCc1ccccc1 1P003O6X [1,0,0,0,0,0|1,0,1]=3 117 B9R1.8 C=CCc1cccnc1 1P005DFA [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 C=COc1ccccc1 1P005W2F [1,0,0,0,0,0|0,0,1]=2 119 B9R1.8 C=COc1cccnc1 1P009TFJ [1,0,0,0,0,0|1,0,1]=3 120 B9R1.8 C=CSc1ccccc1 1P0023XU [1,0,0,0,0,0|0,1,1]=3 121 B9R1.8 CC#Cc1ccccc1 1P000515 [1,0,0,0,0,0|1,0,1]=3 122 B9R1.8 CCC[n+]1ccccc1 1P002N7W [1,0,0,0,0,0|2,0,1]=4 123 B9R1.8 CCCc1ccccc1 1P003UGP [1,0,0,0,0,0|1,0,1]=3 124 B9R1.8 CCCc1ccccn1 1P003IDJ [1,0,0,0,0,0|2,0,1]=4 125 B9R1.8 CCCc1cccnc1 1P00DG48 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.8 CCCc1ccncc1 1P003MH0 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.8 CCNc1ccccc1 1P0035UD [1,0,0,0,0,0|1,0,1]=3 128 B9R1.8 CCNc1ccccn1 1P003FIU [1,0,0,0,0,0|2,0,1]=4 129 B9R1.8 CCNc1cccnc1 1P00CN8W [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 CCNc1ccncc1 1P00I7EH [1,0,0,0,0,0|2,0,1]=4 131 B9R1.8 CCOc1ccccc1 1P003U4U [1,0,0,0,0,0|0,0,1]=2 132 B9R1.8 CCOc1ccccn1 1P001L8A [1,0,0,0,0,0|1,0,1]=3 133 B9R1.8 CCOc1cccnc1 1P00ANFG [1,0,0,0,0,0|1,0,1]=3 134 B9R1.8 CCOc1cccnn1 1P003HNA [1,0,0,0,0,0|2,0,1]=4 135 B9R1.8 CCOc1ccncc1 1P00C0Z1 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.8 CCSc1ccccc1 1P003QX8 [1,0,0,0,0,0|0,1,1]=3 137 B9R1.8 CCSc1ccccn1 1P002EQQ [1,0,0,0,0,0|1,1,1]=4 138 B9R1.8 CNCc1ccccc1 1P0035T0 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.8 CNCc1ccccn1 1P002L6V [1,0,0,0,0,0|3,0,0]=4 140 B9R1.8 CNCc1ccccn1 1P00H9TS [1,0,0,0,0,0|3,0,0]=4 141 B9R1.8 CNCc1cccnc1 1P003IN0 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.8 CNCc1cccnc1 1P00JLQD [1,0,0,0,0,0|3,0,0]=4 143 B9R1.8 CNCc1ccncc1 1P003TOO [1,0,0,0,0,0|3,0,0]=4 144 B9R1.8 CNCc1ccncc1 1P009DU1 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.8 CNNc1ccccc1 1P00H3DS [1,0,0,0,0,0|2,0,0]=3 146 B9R1.8 COCc1ccccc1 1P003OL0 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.8 COCc1ccccn1 1P002O7L [1,0,0,0,0,0|3,0,0]=4 148 B9R1.8 COCc1ccncc1 1P00FGIA [1,0,0,0,0,0|3,0,0]=4 149 B9R1.8 CSCc1ccccc1 1P003OL2 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.8 CSCc1ccccn1 1P00K0NO [1,0,0,0,0,0|3,0,0]=4 151 B9R1.8 CSCc1cccnc1 1P01DX2J [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [1,0,0,0,0,0|1,0,0]=2 153 B9R1.8 C\C=C\c1ccccc1 1P003VFF [1,0,0,0,0,0|1,0,0]=2 154 B9R1.8 C\C=C\c1cnccn1 1P027XHC [1,0,0,0,0,0|3,0,0]=4 155 B9R1.8 C\N=C\c1ccccc1 1P003T8J [1,0,0,0,0,0|2,0,0]=3 156 B9R1.8 ClCCc1ccccc1 1P0032NZ [1,0,0,0,0,0|2,0,1]=4 157 B9R1.8 ClCSc1ccccc1 1P003PAU [1,0,0,0,0,0|1,1,1]=4 158 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.8 IC#Cc1ccccc1 1P006HO6 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.8 ICCc1ccccc1 1P001ZMC [1,0,0,0,0,0|2,0,1]=4 161 B9R1.8 N#CNc1ccccc1 1P00F3HT [1,0,0,0,0,0|2,0,1]=4 162 B9R1.8 N#COc1ccccc1 1P003U5M [1,0,0,0,0,0|1,0,1]=3 163 B9R1.8 N#CSc1ccccc1 1P00E15Y [1,0,0,0,0,0|1,1,1]=4 164 B9R1.8 NCCc1ccccc1 1P001OVX [1,0,0,0,0,0|2,0,1]=4 165 B9R1.8 NCCc1ccccc1 1P00AL3F [1,0,0,0,0,0|2,0,1]=4 166 B9R1.8 NNCc1ccccc1 1P002AS6 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.8 NNCc1ccccc1 1P003OLM [1,0,0,0,0,0|3,0,0]=4 168 B9R1.8 NNCc1ccccc1 1P00VUSV [1,0,0,0,0,0|3,0,0]=4 169 B9R1.8 NOCc1ccccc1 1P0035W0 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.8 NOCc1ccccc1 1P003TWF [1,0,0,0,0,0|3,0,0]=4 171 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.8 O=C=Nc1ccccn1 1P00DM5D [1,0,0,0,0,0|2,0,1]=4 173 B9R1.8 O=C=Nc1cccnc1 1P003477 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.8 O=CCc1ccccc1 1P00170M [1,0,0,0,0,0|1,0,0]=2 175 B9R1.8 O=CNc1ccccc1 1P003R5D [1,0,0,0,0,0|1,0,0]=2 176 B9R1.8 O=CNc1ccccn1 1P00C130 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.8 O=COc1ccccc1 1P0035XN [1,0,0,0,0,0|0,0,0]=1 178 B9R1.8 O=S=Nc1ccccc1 1P003TUI [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 OCCc1ccccc1 1P0033W3 [1,0,0,0,0,0|1,0,2]=4 180 B9R1.8 ONCc1ccccc1 1P002ZBQ [1,0,0,0,0,0|2,0,1]=4 181 B9R1.8 ONCc1ccccc1 1P003920 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.8 O\N=C/c1ccccc1 1P00EASV [1,0,0,0,0,0|2,0,1]=4 183 B9R1.8 O\N=C\c1ccccc1 1P003OH6 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.8 S=C=Nc1ccccc1 1P003RMC [1,0,0,0,0,0|1,1,1]=4 185 B9R1.8 SCCc1ccccc1 1P00DCX2 [1,0,0,0,0,0|1,1,1]=4 186 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [1,0,0,0,0,0|2,0,1]=4 187 B9R1.8 [CH2-]\C=C\c1ccccc1 1P0035WW [1,0,0,0,0,0|1,0,1]=3 188 B9R1.8 [Cu]C#Cc1ccccc1 1P000WOP [1,0,0,0,0,0|2,0,1]=4 189 B9R1.8 [N-]=[N+]=Cc1ccccc1 1P008PXQ [1,0,0,0,0,0|3,0,0]=4 190 B9R1.8 [N-]=[N+]=Nc1ccccc1 1P003OEN [1,0,0,0,0,0|3,0,0]=4 191 B11R1.20 BrC(=Cc1ccc(cc1)Br)Br 1P01BSTD [0,1,0,0,0,0|3,0,0]=4 192 B11R1.20 CC(=O)Cc1ccc(cc1)C 1P002KSA [0,1,0,0,0,0|1,0,0]=2 193 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1P003LOO [0,1,0,0,0,0|1,0,0]=2 194 B11R1.20 CC(=O)Cc1ccc(cc1)F 1P003LWP [0,1,0,0,0,0|1,0,0]=2 195 B11R1.20 CC(=O)Cc1ccc(cc1)O 1P003M0E [0,1,0,0,0,0|1,0,0]=2 196 B11R1.20 CC(=O)Cc1ccc(cn1)C 1P005NKC [0,1,0,0,0,0|2,0,0]=3 197 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1P003LFZ [0,1,0,0,0,0|1,0,0]=2 198 B11R1.20 CC(=O)Nc1ccc(cc1)C 1P0034KG [0,1,0,0,0,0|1,0,0]=2 199 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1P003LMW [0,1,0,0,0,0|1,0,0]=2 200 B11R1.20 CC(=O)Nc1ccc(cc1)F 1P003LVG [0,1,0,0,0,0|1,0,0]=2 201 B11R1.20 CC(=O)Nc1ccc(cc1)I 1P003STB [0,1,0,0,0,0|1,0,0]=2 202 B11R1.20 CC(=O)Nc1ccc(cc1)N 1P003L7A [0,1,0,0,0,0|1,0,0]=2 203 B11R1.20 CC(=O)Nc1ccc(cc1)N 1P003L7B [0,1,0,0,0,0|1,0,0]=2 204 B11R1.20 CC(=O)Nc1ccc(cc1)O 1P0034CJ [0,1,0,0,0,0|1,0,0]=2 205 B11R1.20 CC(=O)Nc1ccc(cc1)S 1P003L30 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.20 CC(=O)Nc1ccc(cn1)Br 1P0063XI [0,1,0,0,0,0|2,0,0]=3 207 B11R1.20 CC(=O)Nc1ccc(cn1)C 1P00I9B5 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.20 CC(=O)Nc1ccc(cn1)F 1P00020K [0,1,0,0,0,0|2,0,0]=3 209 B11R1.20 CC(=O)Nc1ccc(cn1)I 1P00FD2P [0,1,0,0,0,0|2,0,0]=3 210 B11R1.20 CC(=O)Nc1ccc(cn1)N 1P003SU6 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.20 CC(=O)Nc1ccc(cn1)O 1P00AO3W [0,1,0,0,0,0|2,0,0]=3 212 B11R1.20 CC(=O)Nc1ccc(nc1)N 1P01A6QX [0,1,0,0,0,0|2,0,0]=3 213 B11R1.20 CC(=O)Nc1ccc(nc1)O 1P007373 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.20 CC(=O)Nc1ccc(nn1)Cl 1P001MB9 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.20 CC(=O)Nc1ncc(cn1)Br 1P0022JU [0,1,0,0,0,0|3,0,0]=4 216 B11R1.20 CC(=O)Nc1ncc(cn1)Cl 1P00ICA5 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.20 CC(=O)Oc1ccc(cc1)Br 1P007RNE [0,1,0,0,0,0|0,0,0]=1 218 B11R1.20 CC(=O)Oc1ccc(cc1)C 1P001CE9 [0,1,0,0,0,0|0,0,0]=1 219 B11R1.20 CC(=O)Oc1ccc(cc1)Cl 1P004ICL [0,1,0,0,0,0|0,0,0]=1 220 B11R1.20 CC(=O)Oc1ccc(cc1)F 1P0034I6 [0,1,0,0,0,0|0,0,0]=1 221 B11R1.20 CC(=O)Oc1ccc(cc1)I 1P00CN12 [0,1,0,0,0,0|0,0,0]=1 222 B11R1.20 CC(=O)Oc1ccc(cc1)N 1P009BBN [0,1,0,0,0,0|0,0,0]=1 223 B11R1.20 CC(=O)Oc1ccc(cc1)O 1P00C6UC [0,1,0,0,0,0|0,0,0]=1 224 B11R1.20 CC(=O)Oc1ccc(nc1)Br 1P01SUQU [0,1,0,0,0,0|1,0,0]=2 225 B11R1.20 CC(Cc1ccc(cc1)Br)C 1P002ACM [0,1,0,0,0,0|2,0,1]=4 226 B11R1.20 CC(Cc1ccc(cc1)F)Br 1P01DXNU [0,1,0,0,0,0|2,0,1]=4 227 B11R1.20 CC(Cc1ccc(cc1)F)O 1P00DO4L [0,1,0,0,0,0|1,0,2]=4 228 B11R1.20 CC(Cc1ccc(cc1)I)N 1P007PB0 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.20 CC(Cc1ccc(cc1)N)C 1P00BGLP [0,1,0,0,0,0|2,0,1]=4 230 B11R1.20 CC(Cc1ccc(cc1)N)C 1P01A1S9 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.20 CC(Cc1ccc(cc1)O)C 1P00C74Z [0,1,0,0,0,0|2,0,1]=4 232 B11R1.20 CC(Cc1ccc(cc1)O)N 1P01G8YJ [0,1,0,0,0,0|2,0,1]=4 233 B11R1.20 CC(Cc1ccc(cc1)O)O 1P028VHS [0,1,0,0,0,0|1,0,2]=4 234 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P008TM4 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P00J48C [0,1,0,0,0,0|2,0,1]=4 236 B11R1.20 CC(Nc1ccc(cc1)C)C 1P01A96B [0,1,0,0,0,0|2,0,1]=4 237 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P008ONV [0,1,0,0,0,0|2,0,1]=4 238 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P01A9H7 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.20 CC(Nc1ccc(cc1)F)C 1P00FAAU [0,1,0,0,0,0|2,0,1]=4 240 B11R1.20 CC(Oc1ccc(cc1)Br)C 1P0069DE [0,1,0,0,0,0|1,0,1]=3 241 B11R1.20 CC(Oc1ccc(cc1)F)C 1P00DKL4 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.20 CC(Oc1ccc(cc1)I)C 1P009WM4 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.20 CC(Oc1ccc(cc1)N)C 1P0036ZG [0,1,0,0,0,0|1,0,1]=3 244 B11R1.20 CC(Oc1ccc(cc1)N)C 1P00BIXU [0,1,0,0,0,0|1,0,1]=3 245 B11R1.20 CC(Oc1ccc(cc1)O)C 1P00ID1L [0,1,0,0,0,0|1,0,1]=3 246 B11R1.20 CC(Oc1ccc(cn1)Br)C 1P008E69 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.20 CC(Oc1ccc(cn1)C)C 1P00HW2W [0,1,0,0,0,0|2,0,1]=4 248 B11R1.20 CC(Oc1ccc(cn1)Cl)C 1P00I5RW [0,1,0,0,0,0|2,0,1]=4 249 B11R1.20 CC(Oc1ccc(cn1)N)C 1P00DC2Q [0,1,0,0,0,0|2,0,1]=4 250 B11R1.20 CC(Oc1ccc(cn1)O)C 1P00H50E [0,1,0,0,0,0|2,0,1]=4 251 B11R1.20 CC(Oc1ccc(nc1)Br)C 1P00IE8S [0,1,0,0,0,0|2,0,1]=4 252 B11R1.20 CC(Oc1ccc(nc1)Cl)C 1P009747 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.20 CC(Sc1ccc(cc1)Br)C 1P005JZI [0,1,0,0,0,0|1,1,1]=4 254 B11R1.20 CC(Sc1ccc(cc1)Cl)C 1P005DS2 [0,1,0,0,0,0|1,1,1]=4 255 B11R1.20 CN(Cc1ccc(cc1)Br)C 1P00IBJG [0,1,0,0,0,0|3,0,0]=4 256 B11R1.20 CN(Cc1ccc(cc1)N)C 1P0034A0 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.20 ClC(=O)Cc1ccc(cc1)Br 1P00JLAO [0,1,0,0,0,0|2,0,0]=3 258 B11R1.20 ClC(=O)Cc1ccc(cc1)C 1P00C0VI [0,1,0,0,0,0|2,0,0]=3 259 B11R1.20 ClC(=O)Cc1ccc(cc1)Cl 1P0034GI [0,1,0,0,0,0|2,0,0]=3 260 B11R1.20 ClC(=O)Cc1ccc(cc1)F 1P003LWR [0,1,0,0,0,0|2,0,0]=3 261 B11R1.20 ClC(=O)Oc1ccc(cc1)Br 1P003LHL [0,1,0,0,0,0|1,0,0]=2 262 B11R1.20 ClC(=O)Oc1ccc(cc1)Cl 1P003LOH [0,1,0,0,0,0|1,0,0]=2 263 B11R1.20 ClC(=O)Oc1ccc(cc1)F 1P003LWK [0,1,0,0,0,0|1,0,0]=2 264 B11R1.20 ClC(=S)Oc1ccc(cc1)Br 1P008V66 [0,1,0,0,0,0|1,1,0]=3 265 B11R1.20 ClC(=S)Oc1ccc(cc1)Cl 1P003LOI [0,1,0,0,0,0|1,1,0]=3 266 B11R1.20 ClC(=S)Oc1ccc(cc1)F 1P003LWL [0,1,0,0,0,0|1,1,0]=3 267 B11R1.20 Clc1ccc(cc1)N=C(Cl)Cl 1P002V0Y [0,1,0,0,0,0|3,0,0]=4 268 B11R1.20 FC(=Cc1ccc(cc1)Br)F 1P003LGF [0,1,0,0,0,0|3,0,0]=4 269 B11R1.20 FC(=Cc1ccc(cc1)N)F 1P008N6P [0,1,0,0,0,0|3,0,0]=4 270 B11R1.20 FC(Oc1ccc(cc1)Br)F 1P003KO6 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.20 FC(Oc1ccc(cc1)C)F 1P001QKB [0,1,0,0,0,0|2,0,1]=4 272 B11R1.20 FC(Oc1ccc(cc1)Cl)F 1P005GRV [0,1,0,0,0,0|2,0,1]=4 273 B11R1.20 FC(Oc1ccc(cc1)F)F 1P00CMG2 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.20 FC(Oc1ccc(cc1)I)F 1P000YAJ [0,1,0,0,0,0|2,0,1]=4 275 B11R1.20 FC(Oc1ccc(cc1)N)F 1P003KO1 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.20 FC(Oc1ccc(cc1)O)F 1P004LER [0,1,0,0,0,0|2,0,1]=4 277 B11R1.20 NC(=N)Cc1ccc(cc1)Br 1P00ER80 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.20 NC(=N)Cc1ccc(cc1)C 1P00JTEG [0,1,0,0,0,0|3,0,0]=4 279 B11R1.20 NC(=N)Nc1ccc(cc1)Br 1P01DI4V [0,1,0,0,0,0|3,0,0]=4 280 B11R1.20 NC(=N)Nc1ccc(cc1)C 1P00DG0U [0,1,0,0,0,0|3,0,0]=4 281 B11R1.20 NC(=Nc1ccc(cc1)Cl)N 1P007L3M [0,1,0,0,0,0|3,0,0]=4 282 B11R1.20 NC(=O)Cc1ccc(cc1)Br 1P0059AH [0,1,0,0,0,0|2,0,0]=3 283 B11R1.20 NC(=O)Cc1ccc(cc1)Cl 1P00BJHH [0,1,0,0,0,0|2,0,0]=3 284 B11R1.20 NC(=O)Cc1ccc(cc1)F 1P01AARD [0,1,0,0,0,0|2,0,0]=3 285 B11R1.20 NC(=O)Cc1ccc(cc1)N 1P00FJU0 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.20 NC(=O)Cc1ccc(cc1)O 1P003M0D [0,1,0,0,0,0|2,0,0]=3 287 B11R1.20 NC(=O)Cc1ccc(cn1)Br 1P009D92 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.20 NC(=O)Cc1ccc(nc1)Cl 1P00DIGB [0,1,0,0,0,0|3,0,0]=4 289 B11R1.20 NC(=O)Nc1ccc(cc1)Br 1P003LHR [0,1,0,0,0,0|2,0,0]=3 290 B11R1.20 NC(=O)Nc1ccc(cc1)C 1P003UI8 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.20 NC(=O)Nc1ccc(cc1)Cl 1P001CEA [0,1,0,0,0,0|2,0,0]=3 292 B11R1.20 NC(=O)Nc1ccc(cc1)F 1P003LWX [0,1,0,0,0,0|2,0,0]=3 293 B11R1.20 NC(=O)Nc1ccc(cc1)N 1P007QRZ [0,1,0,0,0,0|2,0,0]=3 294 B11R1.20 NC(=S)Cc1ccc(cc1)Cl 1P0020UH [0,1,0,0,0,0|2,1,0]=4 295 B11R1.20 NC(=S)Cc1ccc(cc1)F 1P00I7F0 [0,1,0,0,0,0|2,1,0]=4 296 B11R1.20 NC(=S)Cc1ccc(cc1)N 1P01L083 [0,1,0,0,0,0|2,1,0]=4 297 B11R1.20 NC(=S)Nc1ccc(cc1)Br 1P002TRT [0,1,0,0,0,0|2,1,0]=4 298 B11R1.20 NC(=S)Nc1ccc(cc1)C 1P003M96 [0,1,0,0,0,0|2,1,0]=4 299 B11R1.20 NC(=S)Nc1ccc(cc1)Cl 1P003LOV [0,1,0,0,0,0|2,1,0]=4 300 B11R1.20 NC(=S)Nc1ccc(cc1)F 1P0032OI [0,1,0,0,0,0|2,1,0]=4 301 B11R1.20 NC(=S)Nc1ccc(cc1)I 1P002HS9 [0,1,0,0,0,0|2,1,0]=4 302 B11R1.20 NC(=S)Nc1ccc(cc1)O 1P003DGJ [0,1,0,0,0,0|2,1,0]=4 303 B11R1.20 O=C1C=CC(=NC(=O)C)C=C1 1P003T57 [0,1,0,0,0,0|1,0,0]=2 304 B11R1.20 OC(=O)Cc1ccc(=O)[nH]c1 1P01BGNA [0,1,0,0,0,0|3,0,0]=4 305 B11R1.20 OC(=O)Cc1ccc(cc1)Br 1P002GYL [0,1,0,0,0,0|2,0,0]=3 306 B11R1.20 OC(=O)Cc1ccc(cc1)C 1P0037QY [0,1,0,0,0,0|2,0,0]=3 307 B11R1.20 OC(=O)Cc1ccc(cc1)Cl 1P002GYN [0,1,0,0,0,0|2,0,0]=3 308 B11R1.20 OC(=O)Cc1ccc(cc1)F 1P003LWO [0,1,0,0,0,0|2,0,0]=3 309 B11R1.20 OC(=O)Cc1ccc(cc1)I 1P0027Q4 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.20 OC(=O)Cc1ccc(cc1)N 1P000PYE [0,1,0,0,0,0|2,0,0]=3 311 B11R1.20 OC(=O)Cc1ccc(cc1)O 1P001OVW [0,1,0,0,0,0|2,0,0]=3 312 B11R1.20 OC(=O)Cc1ccc(cc1)S 1P003M2M [0,1,0,0,0,0|2,0,0]=3 313 B11R1.20 OC(=O)Cc1ccc(cn1)Br 1P002GMX [0,1,0,0,0,0|3,0,0]=4 314 B11R1.20 OC(=O)Cc1ccc(cn1)Br 1P002GN0 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.20 OC(=O)Cc1ccc(cn1)C 1P000QTE [0,1,0,0,0,0|3,0,0]=4 316 B11R1.20 OC(=O)Cc1ccc(cn1)Cl 1P00015I [0,1,0,0,0,0|3,0,0]=4 317 B11R1.20 OC(=O)Cc1ccc(cn1)Cl 1P01B9YY [0,1,0,0,0,0|3,0,0]=4 318 B11R1.20 OC(=O)Cc1ccc(cn1)F 1P00015T [0,1,0,0,0,0|3,0,0]=4 319 B11R1.20 OC(=O)Cc1ccc(cn1)F 1P01BH4I [0,1,0,0,0,0|3,0,0]=4 320 B11R1.20 OC(=O)Cc1ccc(cn1)I 1P00HHRJ [0,1,0,0,0,0|3,0,0]=4 321 B11R1.20 OC(=O)Cc1ccc(cn1)O 1P01BG9X [0,1,0,0,0,0|3,0,0]=4 322 B11R1.20 OC(=O)Cc1ccc(nc1)Br 1P01DM6P [0,1,0,0,0,0|3,0,0]=4 323 B11R1.20 OC(=O)Cc1ccc(nc1)C 1P002B7O [0,1,0,0,0,0|3,0,0]=4 324 B11R1.20 OC(=O)Cc1ccc(nc1)Cl 1P00I8AD [0,1,0,0,0,0|3,0,0]=4 325 B11R1.20 OC(=O)Cc1ccc(nc1)F 1P00015S [0,1,0,0,0,0|3,0,0]=4 326 B11R1.20 OC(=O)Cc1ccc(nc1)N 1P00CLD9 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.20 OC(=O)Cn1ccc(=O)cc1 1P00DDO9 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.36 BrC(=C(F)F)c1ccccc1 1P005K5M [0,1,0,0,0,0|3,0,0]=4 329 B11R1.36 BrC(c1ccccc1)C(=O)C 1P002MCS [0,1,0,0,0,0|1,0,0]=2 330 B11R1.36 BrC(c1ccccc1)C(=O)O 1P003O8M [0,1,0,0,0,0|2,0,0]=3 331 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [0,1,0,0,0,0|2,0,1]=4 332 B11R1.36 C=C(c1ccccc1)C(=O)O 1P0033W1 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.36 CC(=C(C)C)c1ccccc1 1P005FQH [0,1,0,0,0,0|2,0,0]=3 334 B11R1.36 CC(=O)N(c1ccccn1)C 1P00EKLE [0,1,0,0,0,0|2,0,0]=3 335 B11R1.36 CC(C(=C)c1ccccc1)C 1P0020JF [0,1,0,0,0,0|2,0,1]=4 336 B11R1.36 CC(C(=O)c1ccccc1)Br 1P002LSU [0,1,0,0,0,0|2,0,1]=4 337 B11R1.36 CC(C(=O)c1ccccc1)C 1P003RK4 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.36 CC(C(=O)c1ccccc1)Cl 1P003HK2 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.36 CC(C(=O)c1ccccc1)O 1P00381W [0,1,0,0,0,0|1,0,2]=4 340 B11R1.36 CC(C(=O)c1ccccc1)S 1P0014KR [0,1,0,0,0,0|1,1,1]=4 341 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.36 CC(c1ccccc1)C(=O)O 1P003Q9M [0,1,0,0,0,0|2,0,0]=3 345 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [0,1,0,0,0,0|2,0,1]=4 346 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [0,1,0,0,0,0|2,0,1]=4 347 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [0,1,0,0,0,0|1,0,2]=4 348 B11R1.36 CC(c1ccncc1)C(=O)[O-] 1P01C5DY [0,1,0,0,0,0|3,0,0]=4 349 B11R1.36 CN(C(=O)c1ccccc1)C 1P003T1L [0,1,0,0,0,0|3,0,0]=4 350 B11R1.36 CN(C(=O)c1ccccc1)N 1P00AO6B [0,1,0,0,0,0|3,0,0]=4 351 B11R1.36 CN(C(=O)c1ccccc1)O 1P01HN3S [0,1,0,0,0,0|2,0,1]=4 352 B11R1.36 CN(c1ccccc1)C(=N)N 1P019SM4 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.36 CN(c1ccccc1)C(=O)C 1P003TNP [0,1,0,0,0,0|1,0,0]=2 354 B11R1.36 CN(c1ccccc1)C(=O)Cl 1P003TOV [0,1,0,0,0,0|2,0,0]=3 355 B11R1.36 CN(c1ccccc1)C(=O)N 1P00E08N [0,1,0,0,0,0|2,0,0]=3 356 B11R1.36 CN(c1ccccc1)C(=S)N 1P003TOW [0,1,0,0,0,0|2,1,0]=4 357 B11R1.36 C[C@@H](c1ccccc1)C(=O)O 1P003CXR [0,1,0,0,0,0|2,0,0]=3 358 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [0,1,0,0,0,0|2,0,0]=3 360 B11R1.36 C[C@H](c1ccccc1)C(=O)O 1P003CJO [0,1,0,0,0,0|2,0,0]=3 361 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [0,1,0,0,0,0|3,0,0]=4 362 B11R1.36 ClC(=O)N(c1ccccn1)C 1P027YWH [0,1,0,0,0,0|3,0,0]=4 363 B11R1.36 ClC(c1ccccc1)C(=O)C 1P00DQWI [0,1,0,0,0,0|1,0,0]=2 364 B11R1.36 ClC(c1ccccc1)C(=O)Cl 1P002XUX [0,1,0,0,0,0|2,0,0]=3 365 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [0,1,0,0,0,0|2,0,0]=3 366 B11R1.36 ClC(c1ccccc1)C(=O)O 1P0033NY [0,1,0,0,0,0|2,0,0]=3 367 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [0,1,0,0,0,0|2,0,1]=4 368 B11R1.36 ClN(c1ccccc1)C(=O)C 1P003TCX [0,1,0,0,0,0|1,0,0]=2 369 B11R1.36 Cl[C@@H](c1ccccc1)C(=O)O 1P00C23B [0,1,0,0,0,0|2,0,0]=3 370 B11R1.36 FC(c1ccccc1)C(=O)O 1P001Q6K [0,1,0,0,0,0|2,0,0]=3 371 B11R1.36 NC(=O)C(c1ccccn1)N 1P01ANHW [0,1,0,0,0,0|3,0,0]=4 372 B11R1.36 NC(=O)N(c1cccnc1)C 1P01B28U [0,1,0,0,0,0|3,0,0]=4 373 B11R1.36 NC(=[N+](C)[O-])c1ccccc1 1P01EI8E [0,1,0,0,0,0|2,0,1]=4 374 B11R1.36 NC(c1ccccc1)C(=O)C 1P00BZXU [0,1,0,0,0,0|1,0,0]=2 375 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [0,1,0,0,0,0|2,0,0]=3 376 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [0,1,0,0,0,0|2,0,0]=3 377 B11R1.36 NC(c1ccccc1)C(=O)O 1P003BUF [0,1,0,0,0,0|2,0,0]=3 378 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [0,1,0,0,0,0|2,0,1]=4 379 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [0,1,0,0,0,0|1,0,2]=4 381 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [0,1,0,0,0,0|1,0,2]=4 382 B11R1.36 NN(c1ccccc1)C(=O)C 1P01G7GO [0,1,0,0,0,0|1,0,0]=2 383 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [0,1,0,0,0,0|2,0,0]=3 384 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [0,1,0,0,0,0|2,0,0]=3 385 B11R1.36 N[C@@H](c1ccccc1)C(=O)O 1P003RNB [0,1,0,0,0,0|2,0,0]=3 386 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [0,1,0,0,0,0|2,0,1]=4 387 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [0,1,0,0,0,0|2,0,1]=4 388 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [0,1,0,0,0,0|1,0,2]=4 389 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [0,1,0,0,0,0|1,0,2]=4 390 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [0,1,0,0,0,0|2,0,0]=3 391 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [0,1,0,0,0,0|2,0,0]=3 392 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P003CPF [0,1,0,0,0,0|2,0,0]=3 393 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P00BK11 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [0,1,0,0,0,0|2,0,1]=4 395 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [0,1,0,0,0,0|2,0,1]=4 396 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [0,1,0,0,0,0|1,0,2]=4 397 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [0,1,0,0,0,0|1,0,2]=4 398 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [0,1,0,0,0,0|1,0,2]=4 399 B11R1.36 O=C(c1ccccc1)C(=O)C 1P003BIO [0,1,0,0,0,0|1,0,0]=2 400 B11R1.36 O=C(c1ccccc1)C(=O)Cl 1P007MP4 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.36 O=C(c1ccccc1)C(=O)O 1P00IB9R [0,1,0,0,0,0|2,0,0]=3 402 B11R1.36 O=C(c1ccccc1)C(=O)[O-] 1P006ZS3 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.36 O=C(c1ccccc1)C(=S)N 1P019MWH [0,1,0,0,0,0|2,1,0]=4 404 B11R1.36 OC(=O)C(=O)c1cccnc1 1P00C8U9 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.36 OC(=O)C(=O)c1cccnc1 1P00J3HH [0,1,0,0,0,0|3,0,0]=4 406 B11R1.36 OC(=O)C(c1ccccn1)N 1P003GT2 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.36 OC(=O)C(c1cccnc1)C 1P00IGF2 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.36 OC(=O)C(c1cccnc1)N 1P00EADJ [0,1,0,0,0,0|3,0,0]=4 409 B11R1.36 OC(=O)C(c1cccnc1)N 1P00IG20 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.36 OC(=O)C(c1cccnc1)N 1P019XJQ [0,1,0,0,0,0|3,0,0]=4 411 B11R1.36 OC(=O)C(c1cccnc1)O 1P00DNB5 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.36 OC(=O)[C@@H](c1cccnc1)O 1P028RLW [0,1,0,0,0,0|3,0,0]=4 413 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [0,1,0,0,0,0|2,0,0]=3 415 B11R1.36 OC(c1ccccc1)C(=O)O 1P003790 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.36 OC(c1ccccc1)C(=O)[O-] 1P000AQ7 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.36 OC(c1ccncc1)C(=O)[O-] 1P0293JF [0,1,0,0,0,0|3,0,0]=4 419 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [0,1,0,0,0,0|2,0,0]=3 420 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P000Q83 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P0035JL [0,1,0,0,0,0|2,0,0]=3 422 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [0,1,0,0,0,0|2,0,0]=3 424 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P000Q82 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P0032UD [0,1,0,0,0,0|2,0,0]=3 426 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P01JVEL [0,1,0,0,0,0|2,0,0]=3 427 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [0,1,0,0,0,0|2,0,1]=4 428 B11R1.36 SC(c1ccccc1)C(=O)O 1P00E0CY [0,1,0,0,0,0|2,0,0]=3 429 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.36 [O-]C(=O)C(c1ccccn1)C 1P01BFWO [0,1,0,0,0,0|3,0,0]=4 431 B11R1.36 [O-]C(=O)C(c1ccccn1)F 1P01BI6I [0,1,0,0,0,0|3,0,0]=4 432 B11R1.36 [O-]C(=O)C(c1ccccn1)O 1P01BG8Q [0,1,0,0,0,0|3,0,0]=4 433 B11R1.36 [O-]C(=O)C(c1cccnc1)C 1P028SSQ [0,1,0,0,0,0|3,0,0]=4 434 B11R1.40 BrCC(=O)Cc1ccccc1 1P002JOF [0,1,0,0,0,0|1,0,0]=2 435 B11R1.40 BrCC(=O)Nc1cnccn1 1P019ZSD [0,1,0,0,0,0|3,0,0]=4 436 B11R1.40 BrCC(=O)Oc1ccccc1 1P0035XL [0,1,0,0,0,0|0,0,0]=1 437 B11R1.40 C#CC(=O)Cc1ccccc1 1P01A2K5 [0,1,0,0,0,0|1,0,1]=3 438 B11R1.40 C=CC(=O)Cc1ccccc1 1P01ADIQ [0,1,0,0,0,0|1,0,1]=3 439 B11R1.40 C=CC(=O)Nc1ccccc1 1P00C29T [0,1,0,0,0,0|1,0,1]=3 440 B11R1.40 C=CC(=O)Nc1ccccn1 1P01BDX8 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.40 C=CC(=O)Oc1ccccc1 1P003U5I [0,1,0,0,0,0|0,0,1]=2 442 B11R1.40 CC(Nc1ccccc1)C#N 1P00BK55 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.40 CC(Oc1ccccc1)C#N 1P01AIKQ [0,1,0,0,0,0|1,0,1]=3 444 B11R1.40 CC(Sc1ccccc1)C#N 1P01EK9I [0,1,0,0,0,0|1,1,1]=4 445 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,1,0,0,0,0|1,0,0]=2 446 B11R1.40 CCC(=O)Cc1cccnc1 1P01BIVT [0,1,0,0,0,0|2,0,0]=3 447 B11R1.40 CCC(=O)Nc1ccccc1 1P0037QW [0,1,0,0,0,0|1,0,0]=2 448 B11R1.40 CCC(=O)Oc1ccccc1 1P00EG93 [0,1,0,0,0,0|0,0,0]=1 449 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,1,0,0,0,0|2,0,1]=4 450 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,1,0,0,0,0|1,0,2]=4 451 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,1,0,0,0,0|3,0,0]=4 452 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,1,0,0,0,0|2,0,1]=4 453 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,1,0,0,0,0|1,0,2]=4 454 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,1,0,0,0,0|2,0,1]=4 455 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,1,0,0,0,0|1,0,2]=4 456 B11R1.40 CNC(=Cc1ccccc1)C 1P01B1W1 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.40 CNC(=O)Cc1ccccc1 1P00FF7Y [0,1,0,0,0,0|1,0,0]=2 458 B11R1.40 CNC(=O)Cc1cccnc1 1P009TNL [0,1,0,0,0,0|2,0,0]=3 459 B11R1.40 CNC(=O)Nc1ccccc1 1P008SLO [0,1,0,0,0,0|1,0,0]=2 460 B11R1.40 CNC(=O)Oc1ccccc1 1P007S45 [0,1,0,0,0,0|0,0,0]=1 461 B11R1.40 CNC(=S)Nc1ccccc1 1P007M3I [0,1,0,0,0,0|1,1,0]=3 462 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [0,1,0,0,0,0|1,0,2]=4 463 B11R1.40 COC(=N)Cc1ccccc1 1P00CMTE [0,1,0,0,0,0|2,0,0]=3 464 B11R1.40 COC(=O)Cc1ccccc1 1P0003W2 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.40 COC(=O)Cc1ccccn1 1P001WTF [0,1,0,0,0,0|2,0,0]=3 466 B11R1.40 COC(=O)Cc1cccnc1 1P0037QD [0,1,0,0,0,0|2,0,0]=3 467 B11R1.40 COC(=O)Cc1cccnn1 1P00I7TS [0,1,0,0,0,0|3,0,0]=4 468 B11R1.40 COC(=O)Cc1ccncc1 1P0035OG [0,1,0,0,0,0|2,0,0]=3 469 B11R1.40 COC(=O)Cc1ccncc1 1P003SCV [0,1,0,0,0,0|2,0,0]=3 470 B11R1.40 COC(=O)Cc1ccncn1 1P004N89 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.40 COC(=O)Cc1ccnnc1 1P00IEGT [0,1,0,0,0,0|3,0,0]=4 472 B11R1.40 COC(=O)Cc1cnccn1 1P007CSK [0,1,0,0,0,0|3,0,0]=4 473 B11R1.40 COC(=O)Cc1cncnc1 1P00I19C [0,1,0,0,0,0|3,0,0]=4 474 B11R1.40 COC(=O)Cc1ncccn1 1P003S1H [0,1,0,0,0,0|3,0,0]=4 475 B11R1.40 COC(=O)Nc1ccccc1 1P002RWQ [0,1,0,0,0,0|1,0,0]=2 476 B11R1.40 COC(=O)Oc1ccccc1 1P003SIP [0,1,0,0,0,0|0,0,0]=1 477 B11R1.40 ClCC(=O)Cc1ccccc1 1P0061Y1 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.40 ClCC(=O)Nc1ccccc1 1P003HJM [0,1,0,0,0,0|1,0,0]=2 479 B11R1.40 ClCC(=O)Nc1ccccn1 1P00D91L [0,1,0,0,0,0|2,0,0]=3 480 B11R1.40 ClCC(=O)Nc1ccccn1 1P00GWQ7 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.40 ClCC(=O)Nc1cccnc1 1P005OSA [0,1,0,0,0,0|2,0,0]=3 482 B11R1.40 ClCC(=O)Nc1cccnc1 1P01AHLG [0,1,0,0,0,0|2,0,0]=3 483 B11R1.40 ClCC(=O)Nc1cccnn1 1P01EM8B [0,1,0,0,0,0|3,0,0]=4 484 B11R1.40 ClCC(=O)Nc1ccncc1 1P0052LJ [0,1,0,0,0,0|2,0,0]=3 485 B11R1.40 ClCC(=O)Nc1ccncc1 1P01AHLH [0,1,0,0,0,0|2,0,0]=3 486 B11R1.40 ClCC(=O)Nc1ncccn1 1P00D9W6 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.40 ClCC(=O)Oc1ccccc1 1P01DQKJ [0,1,0,0,0,0|0,0,0]=1 488 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [0,1,0,0,0,0|1,0,2]=4 489 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [0,1,0,0,0,0|1,0,2]=4 490 B11R1.40 ICC(=O)Nc1ccccc1 1P00IN3U [0,1,0,0,0,0|1,0,0]=2 491 B11R1.40 NCC(=O)Cc1ccccc1 1P00334Z [0,1,0,0,0,0|1,0,0]=2 492 B11R1.40 NCC(=O)Nc1ccccc1 1P00DDPM [0,1,0,0,0,0|1,0,0]=2 493 B11R1.40 NCC(=O)Nc1ccccc1 1P00DL14 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.40 NCC(=O)Nc1ccccn1 1P01A0T0 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.40 NCC(=O)Nc1cccnc1 1P00BKLU [0,1,0,0,0,0|2,0,0]=3 496 B11R1.40 NCC(=O)Nc1ccncc1 1P028498 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.40 NCC(=O)Sc1ccccc1 1P028EBQ [0,1,0,0,0,0|0,1,0]=2 498 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [0,1,0,0,0,0|2,0,1]=4 500 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [0,1,0,0,0,0|1,0,2]=4 501 B11R1.40 NCC(Nc1ccccc1)C 1P019TJC [0,1,0,0,0,0|2,0,1]=4 502 B11R1.40 NCC(Oc1ccccc1)C 1P003IBC [0,1,0,0,0,0|1,0,1]=3 503 B11R1.40 NCC(Oc1ccccc1)C 1P00IKNL [0,1,0,0,0,0|1,0,1]=3 504 B11R1.40 NCC(Oc1cccnc1)C 1P0048SZ [0,1,0,0,0,0|2,0,1]=4 505 B11R1.40 NCC(Sc1ccccc1)C 1P019SS7 [0,1,0,0,0,0|1,1,1]=4 506 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [0,1,0,0,0,0|2,0,1]=4 507 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [0,1,0,0,0,0|1,0,2]=4 508 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [0,1,0,0,0,0|2,0,1]=4 509 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [0,1,0,0,0,0|1,0,2]=4 510 B11R1.40 NNC(=O)C[n+]1ccccc1 1P0032Z5 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.40 NNC(=O)Cc1ccccn1 1P005PSM [0,1,0,0,0,0|3,0,0]=4 513 B11R1.40 NNC(=O)Cc1cccnc1 1P002B6V [0,1,0,0,0,0|3,0,0]=4 514 B11R1.40 NNC(=O)Cc1ccncc1 1P00FB95 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG8 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG9 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.40 NNC(=O)Oc1ccccc1 1P003B60 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.40 NNC(=S)Nc1ccccc1 1P003MFV [0,1,0,0,0,0|2,1,0]=4 519 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [0,1,0,0,0,0|2,0,1]=4 520 B11R1.40 O=CC(=Cc1ccccc1)C 1P0003W3 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.40 O=CC(=Cc1ccccc1)Cl 1P002898 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [0,1,0,0,0,0|1,0,1]=3 523 B11R1.40 O=CN(C)CC1=CC=CC=C1 1P01KHTP [0,1,0,0,0,0|2,0,0]=3 524 B11R1.40 O=C\C(=C\c1ccccc1)\Br 1P003O8L [0,1,0,0,0,0|2,0,0]=3 525 B11R1.40 O=C\C(=C\c1ccccc1)\C 1P00ACHR [0,1,0,0,0,0|1,0,0]=2 526 B11R1.40 O=NN(Cc1ccccc1)C 1P01BJ40 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.40 O=NN(Cc1cccnc1)C 1P01XLZV [0,1,0,0,0,0|3,0,0]=4 528 B11R1.40 OCC(=Cc1ccccc1)C 1P001N1I [0,1,0,0,0,0|1,0,1]=3 529 B11R1.40 OCC(=O)Nc1ccccc1 1P00DHB3 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [0,1,0,0,0,0|1,0,2]=4 531 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [0,1,0,0,0,0|2,0,1]=4 532 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [0,1,0,0,0,0|0,0,2]=3 533 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [0,1,0,0,0,0|2,0,1]=4 534 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [0,1,0,0,0,0|1,0,2]=4 535 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [0,1,0,0,0,0|0,0,2]=3 536 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [0,1,0,0,0,0|2,0,1]=4 538 B11R1.40 ON=C(Cc1ccccc1)Cl 1P00ICH1 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.40 ON=C(Cc1ccncc1)C 1P00B9HK [0,1,0,0,0,0|2,0,1]=4 540 B11R1.40 ON=C(Nc1ccccc1)N 1P028FCV [0,1,0,0,0,0|2,0,1]=4 541 B11R1.40 ONC(=N)Cc1ccccc1 1P002G98 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.40 ONC(=O)Cc1ccccc1 1P00DAOE [0,1,0,0,0,0|2,0,0]=3 543 B11R1.40 ONC(=O)Oc1ccccc1 1P00CYVR [0,1,0,0,0,0|1,0,0]=2 544 B11R1.40 SCC(=O)Nc1ccccc1 1P006XF9 [0,1,0,0,0,0|1,0,0]=2 545 B11R1.40 SCC(=O)Nc1ccccn1 1P006OJA [0,1,0,0,0,0|2,0,0]=3 546 B11R1.86 BrC(=Cc1ccccc1F)Br 1P01BSTG [0,1,0,0,0,0|3,0,0]=4 547 B11R1.86 CC(=O)Cc1ccccc1Br 1P003H9D [0,1,0,0,0,0|1,0,0]=2 548 B11R1.86 CC(=O)Cc1ccccc1C 1P00D954 [0,1,0,0,0,0|1,0,0]=2 549 B11R1.86 CC(=O)Cc1ccccc1Cl 1P003DAJ [0,1,0,0,0,0|1,0,0]=2 550 B11R1.86 CC(=O)Cc1ccccc1F 1P003BOY [0,1,0,0,0,0|1,0,0]=2 551 B11R1.86 CC(=O)Cc1ccccc1I 1P01ALIT [0,1,0,0,0,0|1,0,0]=2 552 B11R1.86 CC(=O)Cc1ccccc1O 1P000VSR [0,1,0,0,0,0|1,0,0]=2 553 B11R1.86 CC(=O)Cc1ccncc1C 1P028QLT [0,1,0,0,0,0|2,0,0]=3 554 B11R1.86 CC(=O)Cc1ncccc1Br 1P01A0L8 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.86 CC(=O)Cc1ncccc1C 1P00C8O3 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.86 CC(=O)Cc1ncccc1Cl 1P01ALQN [0,1,0,0,0,0|2,0,0]=3 557 B11R1.86 CC(=O)Cn1ccccc1=O 1P01BEJK [0,1,0,0,0,0|2,0,0]=3 558 B11R1.86 CC(=O)Nc1ccccc1Br 1P003BNA [0,1,0,0,0,0|1,0,0]=2 559 B11R1.86 CC(=O)Nc1ccccc1C 1P000QH9 [0,1,0,0,0,0|1,0,0]=2 560 B11R1.86 CC(=O)Nc1ccccc1Cl 1P003BO5 [0,1,0,0,0,0|1,0,0]=2 561 B11R1.86 CC(=O)Nc1ccccc1F 1P003BOW [0,1,0,0,0,0|1,0,0]=2 562 B11R1.86 CC(=O)Nc1ccccc1I 1P007RN6 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.86 CC(=O)Nc1ccccc1N 1P003BMT [0,1,0,0,0,0|1,0,0]=2 564 B11R1.86 CC(=O)Nc1ccccc1O 1P003GR9 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.86 CC(=O)Nc1cccnc1N 1P01A75N [0,1,0,0,0,0|2,0,0]=3 566 B11R1.86 CC(=O)Nc1cccnc1O 1P00G9SH [0,1,0,0,0,0|2,0,0]=3 567 B11R1.86 CC(=O)Nc1ccncc1C 1P008Z6R [0,1,0,0,0,0|2,0,0]=3 568 B11R1.86 CC(=O)Nc1ccncc1I 1P01SP48 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.86 CC(=O)Nc1ccncc1N 1P001L6W [0,1,0,0,0,0|2,0,0]=3 570 B11R1.86 CC(=O)Nc1ncccc1C 1P005WE9 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.86 CC(=O)Nc1ncccc1O 1P00CKHR [0,1,0,0,0,0|2,0,0]=3 572 B11R1.86 CC(=O)Oc1ccccc1Br 1P0024OT [0,1,0,0,0,0|0,0,0]=1 573 B11R1.86 CC(=O)Oc1ccccc1Cl 1P003HJS [0,1,0,0,0,0|0,0,0]=1 574 B11R1.86 CC(=O)Oc1ccccc1I 1P00C7MR [0,1,0,0,0,0|0,0,0]=1 575 B11R1.86 CC(=O)Oc1ccccc1O 1P01BUNR [0,1,0,0,0,0|0,0,0]=1 576 B11R1.86 CC(=O)Oc1coccc1=O 1P028MQ2 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.86 CC(Cc1ccccc1C)N 1P00DB4P [0,1,0,0,0,0|2,0,1]=4 578 B11R1.86 CC(Cc1ccccc1Cl)O 1P01EXHL [0,1,0,0,0,0|1,0,2]=4 579 B11R1.86 CC(Cc1ccccc1I)N 1P00BKEF [0,1,0,0,0,0|2,0,1]=4 580 B11R1.86 CC(Cc1ccccc1N)C 1P005KTS [0,1,0,0,0,0|2,0,1]=4 581 B11R1.86 CC(Cc1ccccc1O)C 1P00D6I3 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.86 CC(Cc1ccccc1O)N 1P01DX8H [0,1,0,0,0,0|2,0,1]=4 583 B11R1.86 CC(Nc1ccccc1Br)C 1P00B9GJ [0,1,0,0,0,0|2,0,1]=4 584 B11R1.86 CC(Nc1ccccc1C)C 1P01ABKS [0,1,0,0,0,0|2,0,1]=4 585 B11R1.86 CC(Nc1ccccc1I)C 1P01AYWT [0,1,0,0,0,0|2,0,1]=4 586 B11R1.86 CC(Nc1ccccc1N)C 1P00FIA6 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.86 CC(Nc1ccccc1S)C 1P01UCG1 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.86 CC(Oc1ccccc1Br)C 1P00375S [0,1,0,0,0,0|1,0,1]=3 589 B11R1.86 CC(Oc1ccccc1C)C 1P00I71J [0,1,0,0,0,0|1,0,1]=3 590 B11R1.86 CC(Oc1ccccc1Cl)C 1P00CLSM [0,1,0,0,0,0|1,0,1]=3 591 B11R1.86 CC(Oc1ccccc1F)C 1P000BWE [0,1,0,0,0,0|1,0,1]=3 592 B11R1.86 CC(Oc1ccccc1I)C 1P00G9T6 [0,1,0,0,0,0|1,0,1]=3 593 B11R1.86 CC(Oc1ccccc1N)C 1P002VP9 [0,1,0,0,0,0|1,0,1]=3 594 B11R1.86 CC(Oc1ccccc1N)C 1P00G7TU [0,1,0,0,0,0|1,0,1]=3 595 B11R1.86 CC(Oc1ccccc1O)C 1P003HY4 [0,1,0,0,0,0|1,0,1]=3 596 B11R1.86 CC(Oc1cccnc1Br)C 1P0009AK [0,1,0,0,0,0|2,0,1]=4 597 B11R1.86 CC(Oc1cccnc1N)C 1P00H42Y [0,1,0,0,0,0|2,0,1]=4 598 B11R1.86 CC(Oc1cccnc1N)C 1P01B20L [0,1,0,0,0,0|2,0,1]=4 599 B11R1.86 CC(Oc1ccncc1N)C 1P027Y80 [0,1,0,0,0,0|2,0,1]=4 600 B11R1.86 CC(Oc1cnccc1N)C 1P01C7K3 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.86 CC(Oc1ncccc1Br)C 1P00FCTA [0,1,0,0,0,0|2,0,1]=4 602 B11R1.86 CC(Oc1ncccc1Cl)C 1P00BHLW [0,1,0,0,0,0|2,0,1]=4 603 B11R1.86 CC(Oc1ncccc1I)C 1P003K1V [0,1,0,0,0,0|2,0,1]=4 604 B11R1.86 CC(Oc1ncccc1N)C 1P019V3F [0,1,0,0,0,0|2,0,1]=4 605 B11R1.86 CC(Sc1ccccc1N)C 1P00ECRQ [0,1,0,0,0,0|1,1,1]=4 606 B11R1.86 CC(Sc1ccccc1N)C 1P00IMP0 [0,1,0,0,0,0|1,1,1]=4 607 B11R1.86 CN(Cc1ccccc1Br)C 1P002BE6 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.86 CN(Cc1ccccc1F)C 1P002NM7 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.86 CN(Cc1ccccc1N)C 1P002F0H [0,1,0,0,0,0|3,0,0]=4 610 B11R1.86 CN(Cc1ccccc1N)C 1P00G7QZ [0,1,0,0,0,0|3,0,0]=4 611 B11R1.86 CN(Cc1ccccc1N)C 1P00J208 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.86 CS(=O)Cc1ccccc1N 1P01AC6V [0,1,0,0,0,0|2,0,0]=3 613 B11R1.86 Cc1ccncc1CC(=O)O 1P01AVGM [0,1,0,0,0,0|3,0,0]=4 614 B11R1.86 Cc1ccncc1CC(=O)O 1P01B59V [0,1,0,0,0,0|3,0,0]=4 615 B11R1.86 Cc1ccncc1NC(=O)C 1P00DMO8 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.86 Cc1ncccc1CC(=O)O 1P01BAVJ [0,1,0,0,0,0|3,0,0]=4 617 B11R1.86 ClC(=O)Cc1ccccc1Cl 1P003HJY [0,1,0,0,0,0|2,0,0]=3 618 B11R1.86 ClC(=O)Cc1ccccc1F 1P003F8E [0,1,0,0,0,0|2,0,0]=3 619 B11R1.86 ClC(=O)Oc1ccccc1C 1P007RD1 [0,1,0,0,0,0|1,0,0]=2 620 B11R1.86 ClC(=O)Oc1ccccc1Cl 1P007RD2 [0,1,0,0,0,0|1,0,0]=2 621 B11R1.86 ClC(=O)Oc1ccccc1F 1P01BCPK [0,1,0,0,0,0|1,0,0]=2 622 B11R1.86 FC(Oc1ccccc1Br)F 1P0021B0 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.86 FC(Oc1ccccc1C)F 1P00C6RO [0,1,0,0,0,0|2,0,1]=4 624 B11R1.86 FC(Oc1ccccc1I)F 1P0067GD [0,1,0,0,0,0|2,0,1]=4 625 B11R1.86 FC(Oc1ccccc1N)F 1P0033C4 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.86 FC(Oc1ccccc1N)F 1P01C35J [0,1,0,0,0,0|2,0,1]=4 627 B11R1.86 FC(Oc1ccccc1O)F 1P00DIEB [0,1,0,0,0,0|2,0,1]=4 628 B11R1.86 NC(=N)Cc1ccccc1Br 1P009BM9 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.86 NC(=N)Cc1ccccc1C 1P00JTDN [0,1,0,0,0,0|3,0,0]=4 630 B11R1.86 NC(=N)Cc1ccccc1Cl 1P00DK5P [0,1,0,0,0,0|3,0,0]=4 631 B11R1.86 NC(=N)Cc1ccccc1F 1P00IED3 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.86 NC(=N)Nc1ccccc1C 1P00C6NB [0,1,0,0,0,0|3,0,0]=4 633 B11R1.86 NC(=N)Nc1ccccc1C 1P00FEG8 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.86 NC(=N)Nc1ccccc1Cl 1P00C3UH [0,1,0,0,0,0|3,0,0]=4 635 B11R1.86 NC(=O)Cc1ccccc1C 1P00C7O3 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.86 NC(=O)Cc1ccccc1Cl 1P0008KE [0,1,0,0,0,0|2,0,0]=3 637 B11R1.86 NC(=O)Cc1ccccc1F 1P00I6ND [0,1,0,0,0,0|2,0,0]=3 638 B11R1.86 NC(=O)Cc1ccccc1N 1P00BZX4 [0,1,0,0,0,0|2,0,0]=3 639 B11R1.86 NC(=O)Cc1ccccc1O 1P006Y9M [0,1,0,0,0,0|2,0,0]=3 640 B11R1.86 NC(=O)Nc1ccccc1Br 1P000W2U [0,1,0,0,0,0|2,0,0]=3 641 B11R1.86 NC(=O)Nc1ccccc1C 1P003TZ2 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.86 NC(=O)Nc1ccccc1Cl 1P000AQ3 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.86 NC(=O)Nc1ccccc1F 1P003HSV [0,1,0,0,0,0|2,0,0]=3 644 B11R1.86 NC(=S)Cc1ccccc1Br 1P008SJN [0,1,0,0,0,0|2,1,0]=4 645 B11R1.86 NC(=S)Cc1ccccc1F 1P00H9ZX [0,1,0,0,0,0|2,1,0]=4 646 B11R1.86 NC(=S)Nc1ccccc1Br 1P003865 [0,1,0,0,0,0|2,1,0]=4 647 B11R1.86 NC(=S)Nc1ccccc1C 1P00IBBO [0,1,0,0,0,0|2,1,0]=4 648 B11R1.86 NC(=S)Nc1ccccc1Cl 1P0032OG [0,1,0,0,0,0|2,1,0]=4 649 B11R1.86 NC(=S)Nc1ccccc1F 1P003BFU [0,1,0,0,0,0|2,1,0]=4 650 B11R1.86 Nc1ncccc1CC(=O)O 1P000686 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.86 Nc1ncccc1CC(=O)O 1P01BE2W [0,1,0,0,0,0|3,0,0]=4 652 B11R1.86 OC(=O)Cc1ccc[nH]c1=O 1P01KJHL [0,1,0,0,0,0|3,0,0]=4 653 B11R1.86 OC(=O)Cc1ccccc1Br 1P0033NF [0,1,0,0,0,0|2,0,0]=3 654 B11R1.86 OC(=O)Cc1ccccc1C 1P003I6V [0,1,0,0,0,0|2,0,0]=3 655 B11R1.86 OC(=O)Cc1ccccc1Cl 1P003HJX [0,1,0,0,0,0|2,0,0]=3 656 B11R1.86 OC(=O)Cc1ccccc1F 1P003HSU [0,1,0,0,0,0|2,0,0]=3 657 B11R1.86 OC(=O)Cc1ccccc1I 1P0033TV [0,1,0,0,0,0|2,0,0]=3 658 B11R1.86 OC(=O)Cc1ccccc1N 1P00BXSN [0,1,0,0,0,0|2,0,0]=3 659 B11R1.86 OC(=O)Cc1ccccc1O 1P0033TN [0,1,0,0,0,0|2,0,0]=3 660 B11R1.86 OC(=O)Cc1cccnc1Br 1P000JSL [0,1,0,0,0,0|3,0,0]=4 661 B11R1.86 OC(=O)Cc1cccnc1Cl 1P00392A [0,1,0,0,0,0|3,0,0]=4 662 B11R1.86 OC(=O)Cc1cccnc1F 1P00015G [0,1,0,0,0,0|3,0,0]=4 663 B11R1.86 OC(=O)Cc1ccncc1C 1P01ADGP [0,1,0,0,0,0|3,0,0]=4 664 B11R1.86 OC(=O)Cc1ccncc1N 1P008D16 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.86 OC(=O)Cc1cnccc1Cl 1P01BAKZ [0,1,0,0,0,0|3,0,0]=4 666 B11R1.86 OC(=O)Cc1ncccc1Br 1P00668C [0,1,0,0,0,0|3,0,0]=4 667 B11R1.86 OC(=O)Cc1ncccc1C 1P00J3E2 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.86 OC(=O)Cc1ncccc1Cl 1P003JSB [0,1,0,0,0,0|3,0,0]=4 669 B11R1.86 OC(=O)Cc1ncccc1F 1P00015F [0,1,0,0,0,0|3,0,0]=4 670 B11R1.86 OC(=O)Cc1ncccc1F 1P01BGTL [0,1,0,0,0,0|3,0,0]=4 671 B11R1.86 OC(=O)Cn1ccccc1=N 1P000STV [0,1,0,0,0,0|3,0,0]=4 672 B11R1.86 OC(=O)Cn1ccccc1=O 1P00EE85 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.86 [O-]C(=O)Cc1ccccc1N 1P00EO9O [0,1,0,0,0,0|2,0,0]=3 674 B11R1.86 [O-]C(=O)Cc1ccncc1Cl 1P01FLEZ [0,1,0,0,0,0|3,0,0]=4 675 B11R1.86 [O-]C(=O)Cc1ccncc1F 1P028HR9 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.86 [O-]C(=O)Cc1ncccc1Cl 1P001V8Q [0,1,0,0,0,0|3,0,0]=4 677 B11R1.86 [O-][N+](=O)Cc1ccccc1F 1P0290A8 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.157 BrC(=Cc1cccc(c1)F)Br 1P01BSTH [0,1,0,0,0,0|3,0,0]=4 679 B11R1.157 CC(=C)Cc1cccc(c1)F 1P006BT5 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.157 CC(=O)Cc1cccc(c1)Br 1P00BC3Y [0,1,0,0,0,0|1,0,0]=2 681 B11R1.157 CC(=O)Cc1cccc(c1)C 1P002H8X [0,1,0,0,0,0|1,0,0]=2 682 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1P001GKC [0,1,0,0,0,0|1,0,0]=2 683 B11R1.157 CC(=O)Cc1cccc(c1)F 1P001ZL5 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.157 CC(=O)Cc1cccc(n1)C 1P00FDR0 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.157 CC(=O)Cc1nccc(c1)C 1P0072NV [0,1,0,0,0,0|2,0,0]=3 686 B11R1.157 CC(=O)Nc1cc(Br)ccn1 1P0008JS [0,1,0,0,0,0|2,0,0]=3 687 B11R1.157 CC(=O)Nc1cc(Cl)ccn1 1P002OTA [0,1,0,0,0,0|2,0,0]=3 688 B11R1.157 CC(=O)Nc1cc(I)ccn1 1P004QOG [0,1,0,0,0,0|2,0,0]=3 689 B11R1.157 CC(=O)Nc1cc(N)ccn1 1P0038XF [0,1,0,0,0,0|2,0,0]=3 690 B11R1.157 CC(=O)Nc1cccc(c1)Br 1P00ECJ9 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.157 CC(=O)Nc1cccc(c1)C 1P003K73 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1P003JQW [0,1,0,0,0,0|1,0,0]=2 693 B11R1.157 CC(=O)Nc1cccc(c1)F 1P003SRL [0,1,0,0,0,0|1,0,0]=2 694 B11R1.157 CC(=O)Nc1cccc(c1)I 1P002GA9 [0,1,0,0,0,0|1,0,0]=2 695 B11R1.157 CC(=O)Nc1cccc(c1)N 1P0006PM [0,1,0,0,0,0|1,0,0]=2 696 B11R1.157 CC(=O)Nc1cccc(c1)N 1P019GG3 [0,1,0,0,0,0|1,0,0]=2 697 B11R1.157 CC(=O)Nc1cccc(c1)O 1P00IBFR [0,1,0,0,0,0|1,0,0]=2 698 B11R1.157 CC(=O)Nc1cccc(c1)S 1P01DX1Y [0,1,0,0,0,0|1,0,0]=2 699 B11R1.157 CC(=O)Nc1cccc(n1)Br 1P002RFG [0,1,0,0,0,0|2,0,0]=3 700 B11R1.157 CC(=O)Nc1cccc(n1)C 1P00DEAT [0,1,0,0,0,0|2,0,0]=3 701 B11R1.157 CC(=O)Nc1cccc(n1)N 1P003GR6 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.157 CC(=O)Nc1ccnc(=O)[nH]1 1P001ED7 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.157 CC(=O)Nc1ccnc(c1)Cl 1P0080T9 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.157 CC(=O)Nc1ccnc(c1)N 1P019E5R [0,1,0,0,0,0|2,0,0]=3 705 B11R1.157 CC(=O)Nc1ccnc(n1)Cl 1P01V8MO [0,1,0,0,0,0|3,0,0]=4 706 B11R1.157 CC(=O)Nc1cncc(c1)Br 1P001QTQ [0,1,0,0,0,0|2,0,0]=3 707 B11R1.157 CC(=O)Nc1cncc(n1)Cl 1P00A8P9 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.157 CC(=O)Nc1nccc(c1)C 1P00DA00 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.157 CC(=O)Oc1cccc(c1)Br 1P00C7TF [0,1,0,0,0,0|0,0,0]=1 710 B11R1.157 CC(=O)Oc1cccc(c1)C 1P0016ZW [0,1,0,0,0,0|0,0,0]=1 711 B11R1.157 CC(=O)Oc1cccc(c1)Cl 1P000UR7 [0,1,0,0,0,0|0,0,0]=1 712 B11R1.157 CC(=O)Oc1cccc(c1)F 1P003JY7 [0,1,0,0,0,0|0,0,0]=1 713 B11R1.157 CC(=O)Oc1cccc(c1)I 1P00CLS4 [0,1,0,0,0,0|0,0,0]=1 714 B11R1.157 CC(=O)Oc1cccc(c1)O 1P0006PL [0,1,0,0,0,0|0,0,0]=1 715 B11R1.157 CC(Cc1cccc(c1)Br)C 1P001AW5 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.157 CC(Cc1cccc(c1)Br)N 1P00EKIM [0,1,0,0,0,0|2,0,1]=4 717 B11R1.157 CC(Cc1cccc(c1)C)N 1P00EM0G [0,1,0,0,0,0|2,0,1]=4 718 B11R1.157 CC(Cc1cccc(c1)Cl)Br 1P01BCMF [0,1,0,0,0,0|2,0,1]=4 719 B11R1.157 CC(Cc1cccc(c1)Cl)N 1P00I7HN [0,1,0,0,0,0|2,0,1]=4 720 B11R1.157 CC(Cc1cccc(c1)Cl)O 1P01DIZP [0,1,0,0,0,0|1,0,2]=4 721 B11R1.157 CC(Cc1cccc(c1)F)O 1P01A08E [0,1,0,0,0,0|1,0,2]=4 722 B11R1.157 CC(Cc1cccc(c1)I)C 1P0283V2 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.157 CC(Cc1cccc(c1)I)N 1P002DNG [0,1,0,0,0,0|2,0,1]=4 724 B11R1.157 CC(Cc1cccc(c1)O)N 1P00939S [0,1,0,0,0,0|2,0,1]=4 725 B11R1.157 CC(Cc1cccc(c1)O)N 1P01C23Z [0,1,0,0,0,0|2,0,1]=4 726 B11R1.157 CC(Nc1cccc(c1)Br)C 1P00A7HU [0,1,0,0,0,0|2,0,1]=4 727 B11R1.157 CC(Nc1cccc(c1)C)C 1P0007BJ [0,1,0,0,0,0|2,0,1]=4 728 B11R1.157 CC(Nc1cccc(c1)C)C 1P01A9T6 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.157 CC(Nc1cccc(c1)Cl)C 1P00BXCF [0,1,0,0,0,0|2,0,1]=4 730 B11R1.157 CC(Nc1cccc(c1)F)C 1P007QOV [0,1,0,0,0,0|2,0,1]=4 731 B11R1.157 CC(Nc1cccc(c1)O)C 1P002NTG [0,1,0,0,0,0|2,0,1]=4 732 B11R1.157 CC(Oc1cccc(c1)Br)C 1P00104A [0,1,0,0,0,0|1,0,1]=3 733 B11R1.157 CC(Oc1cccc(c1)C)C 1P00AR0W [0,1,0,0,0,0|1,0,1]=3 734 B11R1.157 CC(Oc1cccc(c1)N)C 1P003K2Q [0,1,0,0,0,0|1,0,1]=3 735 B11R1.157 CC(Oc1cccc(c1)N)C 1P01AVB0 [0,1,0,0,0,0|1,0,1]=3 736 B11R1.157 CC(Oc1cccc(c1)O)C 1P00ICC1 [0,1,0,0,0,0|1,0,1]=3 737 B11R1.157 CC(Oc1cccc(n1)Br)C 1P00DAUQ [0,1,0,0,0,0|2,0,1]=4 738 B11R1.157 CC(Oc1cccc(n1)Cl)C 1P00H4US [0,1,0,0,0,0|2,0,1]=4 739 B11R1.157 CC(Oc1cccc(n1)F)C 1P01A4S7 [0,1,0,0,0,0|2,0,1]=4 740 B11R1.157 CC(Oc1cccc(n1)N)C 1P0280BF [0,1,0,0,0,0|2,0,1]=4 741 B11R1.157 CC(Oc1ccnc(c1)N)C 1P020ETC [0,1,0,0,0,0|2,0,1]=4 742 B11R1.157 CC(Oc1cncc(c1)Br)C 1P00BFTH [0,1,0,0,0,0|2,0,1]=4 743 B11R1.157 CC(Oc1nccc(c1)Br)C 1P000BB6 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.157 CC(Oc1nccc(c1)Cl)C 1P009Z4I [0,1,0,0,0,0|2,0,1]=4 745 B11R1.157 CC(Oc1nccc(c1)I)C 1P019FH8 [0,1,0,0,0,0|2,0,1]=4 746 B11R1.157 CC(Oc1nccc(c1)N)C 1P01AGGO [0,1,0,0,0,0|2,0,1]=4 747 B11R1.157 CC(Sc1cccc(c1)Br)C 1P00ICIQ [0,1,0,0,0,0|1,1,1]=4 748 B11R1.157 CN(Cc1cccc(c1)Br)C 1P00I9A0 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.157 CN(Cc1cccc(c1)N)C 1P00BCAX [0,1,0,0,0,0|3,0,0]=4 750 B11R1.157 CN(Cc1cccc(c1)O)C 1P00EM5J [0,1,0,0,0,0|3,0,0]=4 751 B11R1.157 CS(=O)Cc1cccc(c1)N 1P01AJ7C [0,1,0,0,0,0|2,0,0]=3 752 B11R1.157 Cc1cc(CC(=O)O)ncc1 1P001MC9 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.157 Cc1cc(CC(=O)O)ncc1 1P00J3D5 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.157 Cc1cccc(n1)CC(=O)O 1P00H3BS [0,1,0,0,0,0|3,0,0]=4 755 B11R1.157 Cc1cccc(n1)CC(=O)O 1P01UO90 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.157 ClC(=O)Cc1cccc(c1)C 1P001AQH [0,1,0,0,0,0|2,0,0]=3 757 B11R1.157 ClC(=O)Cc1cccc(c1)Cl 1P00CB7L [0,1,0,0,0,0|2,0,0]=3 758 B11R1.157 ClC(=O)Cc1cccc(c1)F 1P00DES1 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.157 ClC(=O)Oc1cccc(c1)Br 1P01B3V1 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.157 ClC(=O)Oc1cccc(c1)C 1P002YUE [0,1,0,0,0,0|1,0,0]=2 761 B11R1.157 ClC(=O)Oc1cccc(c1)Cl 1P01B3V3 [0,1,0,0,0,0|1,0,0]=2 762 B11R1.157 ClC(=O)Oc1cccc(c1)F 1P01B3V5 [0,1,0,0,0,0|1,0,0]=2 763 B11R1.157 FC(Oc1cccc(c1)Br)F 1P002SXZ [0,1,0,0,0,0|2,0,1]=4 764 B11R1.157 FC(Oc1cccc(c1)F)F 1P00CLOF [0,1,0,0,0,0|2,0,1]=4 765 B11R1.157 FC(Oc1cccc(c1)I)F 1P00D8MG [0,1,0,0,0,0|2,0,1]=4 766 B11R1.157 FC(Oc1cccc(c1)N)F 1P003IOA [0,1,0,0,0,0|2,0,1]=4 767 B11R1.157 FC(Oc1cccc(c1)N)F 1P01JL4D [0,1,0,0,0,0|2,0,1]=4 768 B11R1.157 FC(Oc1cccc(c1)O)F 1P004B8E [0,1,0,0,0,0|2,0,1]=4 769 B11R1.157 NC(=N)Cc1cccc(c1)Br 1P00HFIH [0,1,0,0,0,0|3,0,0]=4 770 B11R1.157 NC(=N)Cc1cccc(c1)Cl 1P00EQSS [0,1,0,0,0,0|3,0,0]=4 771 B11R1.157 NC(=N)Cc1cccc(c1)F 1P00IED4 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.157 NC(=N)Nc1cccc(c1)Br 1P017386 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.157 NC(=N)Nc1cccc(c1)C 1P00J5RB [0,1,0,0,0,0|3,0,0]=4 774 B11R1.157 NC(=N)Nc1cccc(c1)Cl 1P00EAGY [0,1,0,0,0,0|3,0,0]=4 775 B11R1.157 NC(=O)Cc1cc(Cl)ccn1 1P0035UY [0,1,0,0,0,0|3,0,0]=4 776 B11R1.157 NC(=O)Cc1cccc(c1)Br 1P00IB5E [0,1,0,0,0,0|2,0,0]=3 777 B11R1.157 NC(=O)Cc1cccc(c1)Cl 1P00EB7X [0,1,0,0,0,0|2,0,0]=3 778 B11R1.157 NC(=O)Cc1cccc(c1)N 1P000U3S [0,1,0,0,0,0|2,0,0]=3 779 B11R1.157 NC(=O)Cc1cccc(c1)O 1P007OXP [0,1,0,0,0,0|2,0,0]=3 780 B11R1.157 NC(=O)Cc1cncc(c1)F 1P01EM25 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.157 NC(=O)Nc1cccc(c1)Br 1P003JLO [0,1,0,0,0,0|2,0,0]=3 782 B11R1.157 NC(=O)Nc1cccc(c1)Cl 1P007RKM [0,1,0,0,0,0|2,0,0]=3 783 B11R1.157 NC(=O)Nc1cccc(c1)F 1P00G38X [0,1,0,0,0,0|2,0,0]=3 784 B11R1.157 NC(=O)Nc1cccc(c1)I 1P01ELM8 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.157 NC(=O)Nc1cccc(c1)N 1P00I5DL [0,1,0,0,0,0|2,0,0]=3 786 B11R1.157 NC(=O)Nc1cccc(c1)N 1P00IB20 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.157 NC(=O)Nc1cccc(c1)O 1P003K1I [0,1,0,0,0,0|2,0,0]=3 788 B11R1.157 NC(=O)Nc1ccnc(c1)Br 1P0290AA [0,1,0,0,0,0|3,0,0]=4 789 B11R1.157 NC(=S)Cc1cccc(c1)C 1P006SWU [0,1,0,0,0,0|2,1,0]=4 790 B11R1.157 NC(=S)Cc1cccc(c1)Cl 1P004VQ7 [0,1,0,0,0,0|2,1,0]=4 791 B11R1.157 NC(=S)Cc1cccc(c1)F 1P01A5WM [0,1,0,0,0,0|2,1,0]=4 792 B11R1.157 NC(=S)Nc1cccc(c1)Br 1P003JLN [0,1,0,0,0,0|2,1,0]=4 793 B11R1.157 NC(=S)Nc1cccc(c1)C 1P00EE8Y [0,1,0,0,0,0|2,1,0]=4 794 B11R1.157 NC(=S)Nc1cccc(c1)Cl 1P003455 [0,1,0,0,0,0|2,1,0]=4 795 B11R1.157 NC(=S)Nc1cccc(c1)F 1P003DDO [0,1,0,0,0,0|2,1,0]=4 796 B11R1.157 NC(=S)Nc1cccc(c1)O 1P003DDT [0,1,0,0,0,0|2,1,0]=4 797 B11R1.157 Nc1cccc(n1)CC(=O)O 1P01K4C9 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.157 OC(=O)Cc1cc(Br)ccn1 1P0096B0 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.157 OC(=O)Cc1cccc(c1)Br 1P002GYM [0,1,0,0,0,0|2,0,0]=3 800 B11R1.157 OC(=O)Cc1cccc(c1)C 1P00391S [0,1,0,0,0,0|2,0,0]=3 801 B11R1.157 OC(=O)Cc1cccc(c1)Cl 1P002GYO [0,1,0,0,0,0|2,0,0]=3 802 B11R1.157 OC(=O)Cc1cccc(c1)F 1P00346B [0,1,0,0,0,0|2,0,0]=3 803 B11R1.157 OC(=O)Cc1cccc(c1)I 1P002GYK [0,1,0,0,0,0|2,0,0]=3 804 B11R1.157 OC(=O)Cc1cccc(c1)N 1P003JEL [0,1,0,0,0,0|2,0,0]=3 805 B11R1.157 OC(=O)Cc1cccc(c1)N 1P01AHAA [0,1,0,0,0,0|2,0,0]=3 806 B11R1.157 OC(=O)Cc1cccc(c1)O 1P00346V [0,1,0,0,0,0|2,0,0]=3 807 B11R1.157 OC(=O)Cc1cccc(n1)Br 1P008VX4 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.157 OC(=O)Cc1cccc(n1)Cl 1P0047LJ [0,1,0,0,0,0|3,0,0]=4 809 B11R1.157 OC(=O)Cc1cccc(n1)F 1P00015Q [0,1,0,0,0,0|3,0,0]=4 810 B11R1.157 OC(=O)Cc1cccc(n1)O 1P006ES9 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.157 OC(=O)Cc1ccnc(c1)Br 1P00AQF9 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.157 OC(=O)Cc1ccnc(c1)Cl 1P00GS5K [0,1,0,0,0,0|3,0,0]=4 813 B11R1.157 OC(=O)Cc1ccnc(c1)N 1P008C2R [0,1,0,0,0,0|3,0,0]=4 814 B11R1.157 OC(=O)Cc1ccnc(c1)N 1P01DUNP [0,1,0,0,0,0|3,0,0]=4 815 B11R1.157 OC(=O)Cc1ccnc(c1)O 1P01BYES [0,1,0,0,0,0|3,0,0]=4 816 B11R1.157 OC(=O)Cc1ccnc(c1)O 1P028WOD [0,1,0,0,0,0|3,0,0]=4 817 B11R1.157 OC(=O)Cc1cncc(c1)Br 1P0034OP [0,1,0,0,0,0|3,0,0]=4 818 B11R1.157 OC(=O)Cc1cncc(c1)C 1P01AG1I [0,1,0,0,0,0|3,0,0]=4 819 B11R1.157 OC(=O)Cc1cncc(c1)Cl 1P01SNYE [0,1,0,0,0,0|3,0,0]=4 820 B11R1.157 OC(=O)Cc1cncc(c1)F 1P00CMVY [0,1,0,0,0,0|3,0,0]=4 821 B11R1.157 OC(=O)Cc1cncc(c1)O 1P01AMHL [0,1,0,0,0,0|3,0,0]=4 822 B11R1.157 OS(=O)Cc1cccc(c1)F 1P01EJ0K [0,1,0,0,0,0|3,0,0]=4 823 B11R1.157 [O-]C(=O)Cc1cccc(n1)C 1P001H77 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.157 [O-]C(=O)Cc1ccnc(c1)C 1P027L2T [0,1,0,0,0,0|3,0,0]=4 825 B11R1.157 [O-]C(=O)Cc1ccnc(c1)F 1P01ALMJ [0,1,0,0,0,0|3,0,0]=4 826 B11R1.157 [O-][N+](=O)Cc1cccc(c1)F 1P027AF5 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.157 [S-]C(=S)Nc1cccc(c1)C 1P01DTA4 [0,1,0,0,0,0|2,1,0]=4 828 B11R1.509 CC(Cc1ccccc1)(C)C 1P000347 [0,1,0,0,0,0|2,0,1]=4 829 B11R1.509 CC(Cc1ccccc1)(Cl)C 1P0021FA [0,1,0,0,0,0|2,0,1]=4 830 B11R1.509 CC(Cc1ccccc1)(O)C 1P003I27 [0,1,0,0,0,0|1,0,2]=4 831 B11R1.509 CC(Nc1ccccc1)(C)C 1P01RVL9 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.509 CC(Oc1ccccc1)(C)C 1P0035XZ [0,1,0,0,0,0|1,0,1]=3 833 B11R1.509 CC(Oc1ccccn1)(C)C 1P00G9RF [0,1,0,0,0,0|2,0,1]=4 834 B11R1.509 CC(Oc1cccnc1)(C)C 1P00CHSG [0,1,0,0,0,0|2,0,1]=4 835 B11R1.509 CP(=O)(Cc1ccccc1)C 1P00765L [0,1,0,0,0,0|2,0,0]=3 836 B11R1.509 CS(=Nc1cccnc1)(=O)C 1P01AMFH [0,1,0,0,0,0|3,0,0]=4 837 B11R1.509 CS(=Nc1ccncc1)(=O)C 1P028N4L [0,1,0,0,0,0|3,0,0]=4 838 B11R1.509 CS(=O)(=N)Cc1ccccc1 1P007ADZ [0,1,0,0,0,0|2,0,0]=3 839 B11R1.509 CS(=O)(=N)Nc1ccccc1 1P028N9M [0,1,0,0,0,0|2,0,0]=3 840 B11R1.509 CS(=O)(=O)Cc1ccccc1 1P0032MN [0,1,0,0,0,0|2,0,0]=3 841 B11R1.509 CS(=O)(=O)Nc1ccccc1 1P000PXK [0,1,0,0,0,0|2,0,0]=3 842 B11R1.509 CS(=O)(=O)Nc1ccccn1 1P000PXJ [0,1,0,0,0,0|3,0,0]=4 843 B11R1.509 CS(=O)(=O)Nc1cccnc1 1P00KNSA [0,1,0,0,0,0|3,0,0]=4 844 B11R1.509 CS(=O)(=O)Oc1ccccc1 1P001W62 [0,1,0,0,0,0|1,0,0]=2 845 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0000OI [0,1,0,0,0,0|3,0,0]=4 846 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P000FZG [0,1,0,0,0,0|3,0,0]=4 847 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z5 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z6 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM0 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM2 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM3 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.509 C[Si](Cc1ccccc1)(C)C 1P0034Z7 [0,1,0,0,0,0|2,1,0]=4 853 B11R1.509 C[Si](Cc1ccccc1)(Cl)C 1P0027YB [0,1,0,0,0,0|2,1,0]=4 854 B11R1.509 C[Si](Oc1ccccc1)(C)C 1P00367Y [0,1,0,0,0,0|1,1,0]=3 855 B11R1.509 C[Si](Sc1ccccc1)(C)C 1P003U76 [0,1,0,0,0,0|1,2,0]=4 856 B11R1.509 ClP(=O)(Oc1ccccc1)Cl 1P0035XO [0,1,0,0,0,0|2,0,0]=3 857 B11R1.509 ClS(=O)(=O)Cc1ccccc1 1P00I3I0 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.509 ClS(=O)(=O)Oc1ccccc1 1P001VK6 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.509 FC(Oc1ccccc1)(F)F 1P0032YF [0,1,0,0,0,0|2,0,1]=4 860 B11R1.509 FS(=O)(=O)Cc1ccccc1 1P00I6RD [0,1,0,0,0,0|3,0,0]=4 861 B11R1.509 NP(=O)(Oc1ccccc1)N 1P003U6N [0,1,0,0,0,0|2,0,0]=3 862 B11R1.509 NS(=O)(=O)Cc1ccccc1 1P0036ER [0,1,0,0,0,0|3,0,0]=4 863 B11R1.509 NS(=O)(=O)Nc1ccccc1 1P001RNX [0,1,0,0,0,0|3,0,0]=4 864 B11R1.509 NS(=O)(=O)Oc1ccccc1 1P002BNO [0,1,0,0,0,0|2,0,0]=3 865 B11R1.509 OP(=O)(Cc1ccccc1)O 1P003OLT [0,1,0,0,0,0|3,0,0]=4 866 B11R1.509 OP(=O)(Oc1ccccc1)O 1P003U6M [0,1,0,0,0,0|2,0,0]=3 867 B11R1.509 [O-]P(=O)(Oc1ccccc1)[O-] 1P003U5V [0,1,0,0,0,0|2,0,0]=3 868 B11R1.509 [O-]P(=O)(Oc1ccccc1)[O-] 1P003UUA [0,1,0,0,0,0|2,0,0]=3 869 B11R1.509 [O-]P(=O)(Oc1ccccc1)[O-] 1P00HJ92 [0,1,0,0,0,0|2,0,0]=3 870 B11R1.509 [O-]S(=O)(=O)Cc1ccccc1 1P00F1DQ [0,1,0,0,0,0|3,0,0]=4 871 B11R1.509 [O-]S(=O)(=O)Oc1ccccc1 1P001Z8U [0,1,0,0,0,0|2,0,0]=3 872 B11R1.509 [O-]S(=O)(=O)Oc1ccccc1 1P0061Y6 [0,1,0,0,0,0|2,0,0]=3 873 B11R1.509 [O-]S(=O)(=O)Oc1ccccc1 1P01DZ86 [0,1,0,0,0,0|2,0,0]=3 874 B9R0.2 C=CC=CC=CCC(=O)C 1P0286AW [0,0,1,0,0,0|1,0,0]=2 875 B9R0.2 CC=CC=CCOC(=O)C 1P001NWK [0,0,1,0,0,0|0,0,2]=3 876 B9R0.2 C\C=C\C=C\CCC(=O)C 1P028VYS [0,0,1,0,0,0|1,0,2]=4 877 B11R2.4 BrC1CC1c2ccccc2 1P00CRS3 [0,0,0,1,0,0|2,0,1]=4 878 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 1P01BA83 [0,0,0,1,0,0|2,0,1]=4 879 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [0,0,0,1,0,0|2,0,1]=4 880 B11R2.4 CC1NC1c2ccccc2 1P005T2D [0,0,0,1,0,0|2,0,1]=4 881 B11R2.4 CN1C[C@@H]1c2ccccc2 1P01EJ8O [0,0,0,1,0,0|3,0,0]=4 882 B11R2.4 CN1C[C@H]1c2ccccc2 1P01EJ96 [0,0,0,1,0,0|3,0,0]=4 883 B11R2.4 NC1CC1c2ccccc2 1P00E0CT [0,0,0,1,0,0|2,0,1]=4 884 B11R2.4 NC1CC1c2ccccc2 1P00EKHZ [0,0,0,1,0,0|2,0,1]=4 885 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 1P01JUMX [0,0,0,1,0,0|2,0,1]=4 886 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P002C46 [0,0,0,1,0,0|2,0,1]=4 887 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P0036EW [0,0,0,1,0,0|2,0,1]=4 888 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P009AYV [0,0,0,1,0,0|2,0,1]=4 889 B11R2.4 N[C@H]1CC1c2ccccc2 1P00DK73 [0,0,0,1,0,0|2,0,1]=4 890 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 1P003AUO [0,0,0,1,0,0|2,0,1]=4 891 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 1P00DDXS [0,0,0,1,0,0|2,0,1]=4 892 B11R2.10 BrB1Oc2c(O1)cccc2 1P003H2J [0,0,0,1,0,0|2,0,1]=4 893 B11R2.10 BrC1=Cc2c(C1)cccc2 1P003H8N [0,0,0,1,0,0|2,0,0]=3 894 B11R2.10 BrC1Cc2c(C1)cccc2 1P0024Z3 [0,0,0,1,0,0|2,0,1]=4 895 B11R2.10 Brc1cc2c(o1)cccc2 1P00D8XU [0,0,0,1,0,0|1,0,1]=3 896 B11R2.10 Brc1cc2c(s1)cccc2 1P00DC2I [0,0,0,1,0,0|1,1,1]=4 897 B11R2.10 Brc1nc2c([nH]1)cccc2 1P003H88 [0,0,0,1,0,0|3,0,0]=4 898 B11R2.10 Brc1nc2c(o1)cccc2 1P006HH0 [0,0,0,1,0,0|2,0,0]=3 899 B11R2.10 Brc1nc2c(s1)cccc2 1P002R5X [0,0,0,1,0,0|2,1,0]=4 900 B11R2.10 CC1=Cc2c(C1)cccc2 1P00BVKD [0,0,0,1,0,0|2,0,0]=3 901 B11R2.10 CC1Cc2c(C1)cccc2 1P0036Z1 [0,0,0,1,0,0|2,0,1]=4 902 B11R2.10 CC1Cc2c(N1)cccc2 1P003BPY [0,0,0,1,0,0|2,0,1]=4 903 B11R2.10 CC1Cc2c(O1)cccc2 1P00209S [0,0,0,1,0,0|1,0,1]=3 904 B11R2.10 CN1Sc2c(S1)cccc2 1P01C5O0 [0,0,0,1,0,0|1,2,0]=4 905 B11R2.10 C[C@@H]1Cc2c(N1)cccc2 1P00BJBQ [0,0,0,1,0,0|2,0,1]=4 906 B11R2.10 C[C@H]1Cc2c(N1)cccc2 1P0070A1 [0,0,0,1,0,0|2,0,1]=4 907 B11R2.10 Cc1cc2c([nH]1)cccc2 1P003I67 [0,0,0,1,0,0|2,0,0]=3 908 B11R2.10 Cc1cc2c([nH]1)cccn2 1P00FDS9 [0,0,0,1,0,0|3,0,0]=4 909 B11R2.10 Cc1cc2c([nH]1)ccnc2 1P000AOM [0,0,0,1,0,0|3,0,0]=4 910 B11R2.10 Cc1cc2c([nH]1)cncc2 1P00FD1N [0,0,0,1,0,0|3,0,0]=4 911 B11R2.10 Cc1cc2c([nH]1)nccc2 1P002OD8 [0,0,0,1,0,0|3,0,0]=4 912 B11R2.10 Cc1cc2c(o1)cccc2 1P003I5F [0,0,0,1,0,0|1,0,0]=2 913 B11R2.10 Cc1cc2c(o1)cccn2 1P01IBC2 [0,0,0,1,0,0|2,0,0]=3 914 B11R2.10 Cc1cc2c(s1)cccc2 1P000JCJ [0,0,0,1,0,0|1,1,0]=3 915 B11R2.10 Cc1cc2n(c1)cccc2 1P005ULD [0,0,0,1,0,0|3,0,0]=4 916 B11R2.10 Cc1nc2c([nH]1)cccc2 1P003I5B [0,0,0,1,0,0|2,0,0]=3 917 B11R2.10 Cc1nc2c([nH]1)cccn2 1P005ZCI [0,0,0,1,0,0|3,0,0]=4 918 B11R2.10 Cc1nc2c([nH]1)cncc2 1P00EDR9 [0,0,0,1,0,0|3,0,0]=4 919 B11R2.10 Cc1nc2c([nH]1)nccc2 1P00J2H2 [0,0,0,1,0,0|3,0,0]=4 920 B11R2.10 Cc1nc2c(o1)cccn2 1P008GLS [0,0,0,1,0,0|2,0,0]=3 921 B11R2.10 Cc1nc2c(o1)ccnc2 1P00G2NS [0,0,0,1,0,0|2,0,0]=3 922 B11R2.10 Cc1nc2c(o1)nccc2 1P00IHCR [0,0,0,1,0,0|2,0,0]=3 923 B11R2.10 Cc1nc2c(s1)cccc2 1P000QIA [0,0,0,1,0,0|1,1,0]=3 924 B11R2.10 Cc1nc2c(s1)ccnc2 1P00H2XF [0,0,0,1,0,0|2,1,0]=4 925 B11R2.10 Cc1nc2c(s1)ccnc2 1P01BVUQ [0,0,0,1,0,0|2,1,0]=4 926 B11R2.10 Cc1nc2n(c1)cccc2 1P00GSY7 [0,0,0,1,0,0|3,0,0]=4 927 B11R2.10 Clc1cc2c([nH]1)cccc2 1P00FGG8 [0,0,0,1,0,0|2,0,1]=4 928 B11R2.10 Clc1nc2c([nH]1)cccc2 1P003HID [0,0,0,1,0,0|3,0,0]=4 929 B11R2.10 Clc1nc2c(o1)cccc2 1P003HIH [0,0,0,1,0,0|2,0,0]=3 930 B11R2.10 Clc1nc2c(o1)cccn2 1P0022RO [0,0,0,1,0,0|3,0,0]=4 931 B11R2.10 Clc1nc2c(o1)cncc2 1P000PC6 [0,0,0,1,0,0|3,0,0]=4 932 B11R2.10 Clc1nc2c(o1)nccc2 1P001RXI [0,0,0,1,0,0|3,0,0]=4 933 B11R2.10 Clc1nc2c(s1)cccc2 1P0033NV [0,0,0,1,0,0|2,1,0]=4 934 B11R2.10 Cn1cc2c(n1)cccc2 1P006XAP [0,0,0,1,0,0|3,0,0]=4 935 B11R2.10 Cn1nc2c(n1)cccc2 1P00AQEC [0,0,0,1,0,0|3,0,0]=4 936 B11R2.10 Fc1cc2c([nH]1)cccc2 1P01DNNI [0,0,0,1,0,0|2,0,1]=4 937 B11R2.10 Fc1nc2c(s1)cccc2 1P003HS5 [0,0,0,1,0,0|2,1,0]=4 938 B11R2.10 IC1Cc2c(C1)cccc2 1P00BJI6 [0,0,0,1,0,0|2,0,1]=4 939 B11R2.10 Ic1cc2c([nH]1)cccc2 1P002TAV [0,0,0,1,0,0|2,0,1]=4 940 B11R2.10 Ic1cc2c(o1)cccc2 1P006A11 [0,0,0,1,0,0|1,0,1]=3 941 B11R2.10 Ic1cc2c(s1)cccc2 1P00C7ZE [0,0,0,1,0,0|1,1,1]=4 942 B11R2.10 Ic1nc2c(s1)cccc2 1P00834N [0,0,0,1,0,0|2,1,0]=4 943 B11R2.10 NC1Cc2c(C1)cccc2 1P002NHZ [0,0,0,1,0,0|2,0,1]=4 944 B11R2.10 NC1Cc2c(C1)cccc2 1P002ZR8 [0,0,0,1,0,0|2,0,1]=4 945 B11R2.10 NN1Cc2c(C1)cccc2 1P00DIHZ [0,0,0,1,0,0|3,0,0]=4 946 B11R2.10 Nc1cc2c([nH]1)cccc2 1P00C33H [0,0,0,1,0,0|2,0,1]=4 947 B11R2.10 Nc1cc2c(s1)cccc2 1P00DKVI [0,0,0,1,0,0|1,1,1]=4 948 B11R2.10 Nc1nc2c([nH]1)cccc2 1P0063TV [0,0,0,1,0,0|3,0,0]=4 949 B11R2.10 Nc1nc2c(o1)cccc2 1P0033KR [0,0,0,1,0,0|2,0,0]=3 950 B11R2.10 Nc1nc2c(o1)cccn2 1P00C9F9 [0,0,0,1,0,0|3,0,0]=4 951 B11R2.10 Nc1nc2c(o1)ccnc2 1P000F0R [0,0,0,1,0,0|3,0,0]=4 952 B11R2.10 Nc1nc2c(o1)cncc2 1P000S0R [0,0,0,1,0,0|3,0,0]=4 953 B11R2.10 Nc1nc2c(o1)nccc2 1P00760G [0,0,0,1,0,0|3,0,0]=4 954 B11R2.10 Nc1nc2c(s1)cccc2 1P003H1F [0,0,0,1,0,0|2,1,0]=4 955 B11R2.10 Nc1nc2c(s1)cccc2 1P00IJ00 [0,0,0,1,0,0|2,1,0]=4 956 B11R2.10 O=C1Cc2c(C1)cccc2 1P003HWU [0,0,0,1,0,0|1,0,0]=2 957 B11R2.10 O=C1Cc2c(N1)cccc2 1P003RGZ [0,0,0,1,0,0|1,0,0]=2 958 B11R2.10 O=C1Cc2c(N1)ccnc2 1P007MBX [0,0,0,1,0,0|2,0,0]=3 959 B11R2.10 O=C1Cc2c(N1)cncc2 1P002Z4A [0,0,0,1,0,0|2,0,0]=3 960 B11R2.10 O=C1Cc2c(N1)cncc2 1P00DCAB [0,0,0,1,0,0|2,0,0]=3 961 B11R2.10 O=C1Cc2c(N1)nccc2 1P00381R [0,0,0,1,0,0|2,0,0]=3 962 B11R2.10 O=C1Cc2c(N1)nccc2 1P00HX1N [0,0,0,1,0,0|2,0,0]=3 963 B11R2.10 O=C1Cc2c(N1)ncnc2 1P00EYLJ [0,0,0,1,0,0|3,0,0]=4 964 B11R2.10 O=C1Cc2c(O1)cccc2 1P00IABW [0,0,0,1,0,0|0,0,0]=1 965 B11R2.10 O=C1N=c2n(C1)cccc2 1P009TUX [0,0,0,1,0,0|2,0,0]=3 966 B11R2.10 O=C1N=c2n(C1)cccc2 1P00DKHZ [0,0,0,1,0,0|2,0,0]=3 967 B11R2.10 O=C1Nc2c(C1)nccc2 1P003834 [0,0,0,1,0,0|2,0,0]=3 968 B11R2.10 O=c1[nH]c2c([nH]1)cccc2 1P00IBCA [0,0,0,1,0,0|2,0,0]=3 969 B11R2.10 O=c1[nH]c2c([nH]1)cccn2 1P001UGG [0,0,0,1,0,0|3,0,0]=4 970 B11R2.10 O=c1[nH]c2c([nH]1)ccnc2 1P00ICXA [0,0,0,1,0,0|3,0,0]=4 971 B11R2.10 O=c1cc2c(o1)cocc2 1P00G5JB [0,0,0,1,0,0|1,0,1]=3 972 B11R2.10 O=c1cc2n([nH]1)cccc2 1P00EIUQ [0,0,0,1,0,0|2,0,1]=4 973 B11R2.10 O=c1oc2c([nH]1)cccn2 1P008Z6E [0,0,0,1,0,0|2,0,0]=3 974 B11R2.10 O=c1oc2c([nH]1)ccnc2 1P00FGZI [0,0,0,1,0,0|2,0,0]=3 975 B11R2.10 O=c1oc2c([nH]1)cncc2 1P01DDQ6 [0,0,0,1,0,0|2,0,0]=3 976 B11R2.10 O=c1oc2c([nH]1)nccc2 1P003TZC [0,0,0,1,0,0|2,0,0]=3 977 B11R2.10 O=c1oc2c(o1)cccc2 1P00BCH5 [0,0,0,1,0,0|1,0,0]=2 978 B11R2.10 O=c1sc2[n+](o1)cccc2 1P003F1T [0,0,0,1,0,0|2,0,0]=3 979 B11R2.10 O=c1sc2c([nH]1)cccc2 1P003HVZ [0,0,0,1,0,0|1,1,0]=3 980 B11R2.10 OC1Cc2c(C1)cccc2 1P00I8P0 [0,0,0,1,0,0|1,0,2]=4 981 B11R2.10 Oc1cc2c([nH]1)cccc2 1P00ALC2 [0,0,0,1,0,0|1,0,2]=4 982 B11R2.10 Oc1nc2c(o1)cccc2 1P003H1H [0,0,0,1,0,0|1,0,1]=3 983 B11R2.10 S=C1Cc2c(N1)cccc2 1P00DAOH [0,0,0,1,0,0|1,1,0]=3 984 B11R2.10 S=c1oc2c([nH]1)cccn2 1P001Z1Z [0,0,0,1,0,0|2,1,0]=4 985 B11R2.10 S=c1oc2c([nH]1)cncc2 1P00974L [0,0,0,1,0,0|2,1,0]=4 986 B11R2.10 S=c1oc2c([nH]1)nccc2 1P00DEE0 [0,0,0,1,0,0|2,1,0]=4 987 B11R2.10 S=c1sc2c([nH]1)cccc2 1P002QCO [0,0,0,1,0,0|1,2,0]=4 988 B11R2.10 S=c1sc2c([nH]1)cccc2 1P00HYRI [0,0,0,1,0,0|1,2,0]=4 989 B11R2.10 SC1Cc2c(C1)cccc2 1P01ALGM [0,0,0,1,0,0|1,1,1]=4 990 B11R2.10 Sc1nc2c([nH]1)cccc2 1P0033U1 [0,0,0,1,0,0|2,1,0]=4 991 B11R2.10 Sc1nc2c(o1)cccc2 1P003HYZ [0,0,0,1,0,0|1,1,0]=3 992 B11R2.10 Sc1nc2c(o1)cccn2 1P006Z84 [0,0,0,1,0,0|2,1,0]=4 993 B11R2.10 Sc1nc2c(s1)cccc2 1P0033U2 [0,0,0,1,0,0|1,2,0]=4 994 B11R2.59 CC1(N)Cc2c1cccc2 1P01B2EM [0,0,0,1,0,0|2,0,1]=4 995 B11R2.238 C1CC1Cc2ccccc2 1P001XDJ [0,0,0,1,0,0|2,0,1]=4 996 B11R2.238 C1CC1Nc2ccccc2 1P00CHSB [0,0,0,1,0,0|2,0,1]=4 997 B11R2.238 C1CC1Sc2ccccc2 1P001EDN [0,0,0,1,0,0|1,1,1]=4 998 B11R2.238 N1CC1Cc2ccccc2 1P001AL5 [0,0,0,1,0,0|2,0,1]=4 999 B11R2.238 N1C[C@@H]1Cc2ccccc2 1P003D1R [0,0,0,1,0,0|2,0,1]=4 1000 B11R2.238 O1CC1Cc2ccccc2 1P00D8Y6 [0,0,0,1,0,0|1,0,2]=4 1001 B11R2.238 O1C[C@@H]1Cc2ccccc2 1P01IZ8T [0,0,0,1,0,0|1,0,2]=4 1002 B11R2.238 O1C[C@H]1Cc2ccccc2 1P006BHY [0,0,0,1,0,0|1,0,2]=4 1003 B11R2.238 c1ccc(cc1)C=C2CC2 1P005KLZ [0,0,0,1,0,0|2,0,0]=3 1004 B9R1.6 BrC(=C)c1ccccc1 1P003AO1 [0,0,0,0,1,0|1,0,1]=3 1005 B9R1.6 BrC(=O)c1ccccc1 1P003OJM [0,0,0,0,1,0|1,0,0]=2 1006 B9R1.6 C(=O)([2H])c1ccccc1 1P00CKBV [0,0,0,0,1,0|1,0,0]=2 1007 B9R1.6 CC(=C)c1ccccn1 1P00ELW9 [0,0,0,0,1,0|2,0,0]=3 1008 B9R1.6 CC(=C)c1cccnc1 1P00B5O7 [0,0,0,0,1,0|2,0,0]=3 1009 B9R1.6 CC(=O)c1ccccc1 1P0036AX [0,0,0,0,1,0|0,0,0]=1 1010 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [0,0,0,0,1,0|1,0,0]=2 1011 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [0,0,0,0,1,0|1,0,0]=2 1012 B9R1.6 CC(=O)c1cccnn1 1P007UEX [0,0,0,0,1,0|2,0,0]=3 1013 B9R1.6 CC(=O)c1ccncc1 1P003L3Q [0,0,0,0,1,0|1,0,0]=2 1014 B9R1.6 CC(=O)c1ccncn1 1P00BYH9 [0,0,0,0,1,0|2,0,0]=3 1015 B9R1.6 CC(=O)c1ccnnc1 1P006VU7 [0,0,0,0,1,0|2,0,0]=3 1016 B9R1.6 CC(=O)c1cnccn1 1P003O4N [0,0,0,0,1,0|2,0,0]=3 1017 B9R1.6 CC(=O)c1cncnc1 1P003DIC [0,0,0,0,1,0|2,0,0]=3 1018 B9R1.6 CC(=O)c1ncccn1 1P003GS7 [0,0,0,0,1,0|2,0,0]=3 1019 B9R1.6 CC([n+]1ccccc1)C 1P01ERR5 [0,0,0,0,1,0|2,0,1]=4 1020 B9R1.6 CC(c1ccccc1)Br 1P003BVV [0,0,0,0,1,0|1,0,1]=3 1021 B9R1.6 CC(c1ccccc1)C 1P0032S0 [0,0,0,0,1,0|1,0,1]=3 1022 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [0,0,0,0,1,0|1,0,1]=3 1023 B9R1.6 CC(c1ccccc1)N 1P00369W [0,0,0,0,1,0|1,0,1]=3 1024 B9R1.6 CC(c1ccccc1)N 1P009X79 [0,0,0,0,1,0|1,0,1]=3 1025 B9R1.6 CC(c1ccccc1)S 1P003COW [0,0,0,0,1,0|0,1,1]=3 1026 B9R1.6 CC(c1ccccn1)Br 1P005XKU [0,0,0,0,1,0|2,0,1]=4 1027 B9R1.6 CC(c1ccccn1)Br 1P019XVD [0,0,0,0,1,0|2,0,1]=4 1028 B9R1.6 CC(c1ccccn1)C 1P00E98K [0,0,0,0,1,0|2,0,1]=4 1029 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [0,0,0,0,1,0|2,0,1]=4 1030 B9R1.6 CC(c1ccccn1)N 1P0039UO [0,0,0,0,1,0|2,0,1]=4 1031 B9R1.6 CC(c1ccccn1)N 1P003DC9 [0,0,0,0,1,0|2,0,1]=4 1032 B9R1.6 CC(c1ccccn1)O 1P003F63 [0,0,0,0,1,0|1,0,2]=4 1033 B9R1.6 CC(c1cccnc1)Br 1P019XJX [0,0,0,0,1,0|2,0,1]=4 1034 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [0,0,0,0,1,0|2,0,1]=4 1035 B9R1.6 CC(c1cccnc1)N 1P000HRO [0,0,0,0,1,0|2,0,1]=4 1036 B9R1.6 CC(c1cccnc1)N 1P003DEG [0,0,0,0,1,0|2,0,1]=4 1037 B9R1.6 CC(c1cccnc1)O 1P003IG7 [0,0,0,0,1,0|1,0,2]=4 1038 B9R1.6 CC(c1ccncc1)Br 1P019XJY [0,0,0,0,1,0|2,0,1]=4 1039 B9R1.6 CC(c1ccncc1)C 1P003M2H [0,0,0,0,1,0|2,0,1]=4 1040 B9R1.6 CC(c1ccncc1)Cl 1P0169EG [0,0,0,0,1,0|2,0,1]=4 1041 B9R1.6 CC(c1ccncc1)N 1P001ZXP [0,0,0,0,1,0|2,0,1]=4 1042 B9R1.6 CC(c1ccncc1)N 1P003DHP [0,0,0,0,1,0|2,0,1]=4 1043 B9R1.6 CC(c1ccncc1)N 1P01C1JO [0,0,0,0,1,0|2,0,1]=4 1044 B9R1.6 CC(c1ccncc1)O 1P002NIX [0,0,0,0,1,0|1,0,2]=4 1045 B9R1.6 CN(c1ccccc1)C 1P003T1K [0,0,0,0,1,0|2,0,0]=3 1046 B9R1.6 CN(c1ccccc1)N 1P003EY0 [0,0,0,0,1,0|2,0,0]=3 1047 B9R1.6 CN(c1ccccc1)N 1P00EKZW [0,0,0,0,1,0|2,0,0]=3 1048 B9R1.6 CN(c1ccccn1)C 1P003BOB [0,0,0,0,1,0|3,0,0]=4 1049 B9R1.6 CN(c1ccccn1)N 1P00736N [0,0,0,0,1,0|3,0,0]=4 1050 B9R1.6 CN(c1cccnc1)C 1P0075WN [0,0,0,0,1,0|3,0,0]=4 1051 B9R1.6 CN(c1ccncc1)C 1P0034HE [0,0,0,0,1,0|3,0,0]=4 1052 B9R1.6 CN(c1ccncc1)C 1P003LRE [0,0,0,0,1,0|3,0,0]=4 1053 B9R1.6 CN(c1ccncc1)N 1P01E1AT [0,0,0,0,1,0|3,0,0]=4 1054 B9R1.6 CP(c1ccccc1)C 1P003Q45 [0,0,0,0,1,0|2,0,0]=3 1055 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [0,0,0,0,1,0|2,0,0]=3 1056 B9R1.6 CP(c1ccncc1)C 1P028LIG [0,0,0,0,1,0|3,0,0]=4 1057 B9R1.6 CS(=O)c1ccccc1 1P000J0D [0,0,0,0,1,0|1,0,0]=2 1058 B9R1.6 CS(=O)c1ccccn1 1P006YWW [0,0,0,0,1,0|2,0,0]=3 1059 B9R1.6 CS(=O)c1ncccn1 1P001D8J [0,0,0,0,1,0|3,0,0]=4 1060 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [0,0,0,0,1,0|1,0,1]=3 1061 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [0,0,0,0,1,0|0,0,2]=3 1062 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [0,0,0,0,1,0|0,1,1]=3 1063 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [0,0,0,0,1,0|2,0,1]=4 1064 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [0,0,0,0,1,0|2,0,1]=4 1065 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [0,0,0,0,1,0|1,0,2]=4 1066 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [0,0,0,0,1,0|2,0,1]=4 1067 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [0,0,0,0,1,0|2,0,1]=4 1068 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [0,0,0,0,1,0|1,0,2]=4 1069 B9R1.6 C[C@@H](c1ccncc1)N 1P002VET [0,0,0,0,1,0|2,0,1]=4 1070 B9R1.6 C[C@@H](c1ccncc1)N 1P00CNEB [0,0,0,0,1,0|2,0,1]=4 1071 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [0,0,0,0,1,0|1,0,2]=4 1072 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [0,0,0,0,1,0|1,0,1]=3 1073 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [0,0,0,0,1,0|1,0,1]=3 1074 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [0,0,0,0,1,0|0,0,2]=3 1075 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [0,0,0,0,1,0|0,1,1]=3 1076 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [0,0,0,0,1,0|2,0,1]=4 1077 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [0,0,0,0,1,0|2,0,1]=4 1078 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [0,0,0,0,1,0|1,0,2]=4 1079 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [0,0,0,0,1,0|2,0,1]=4 1080 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [0,0,0,0,1,0|2,0,1]=4 1081 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [0,0,0,0,1,0|2,0,1]=4 1082 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [0,0,0,0,1,0|1,0,2]=4 1083 B9R1.6 C[C@H](c1ccncc1)N 1P0004FL [0,0,0,0,1,0|2,0,1]=4 1084 B9R1.6 C[C@H](c1ccncc1)N 1P00DLCH [0,0,0,0,1,0|2,0,1]=4 1085 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [0,0,0,0,1,0|1,0,2]=4 1086 B9R1.6 C[Si](c1ccccc1)C 1P00358B [0,0,0,0,1,0|1,1,0]=3 1087 B9R1.6 ClB(c1ccccc1)Cl 1P004HX5 [0,0,0,0,1,0|3,0,0]=4 1088 B9R1.6 ClC(=O)c1ccccc1 1P00374M [0,0,0,0,1,0|1,0,0]=2 1089 B9R1.6 ClC(=O)c1ccccn1 1P002ZQS [0,0,0,0,1,0|2,0,0]=3 1090 B9R1.6 ClC(=O)c1ccccn1 1P003UJ3 [0,0,0,0,1,0|2,0,0]=3 1091 B9R1.6 ClC(=O)c1cccnc1 1P0028T1 [0,0,0,0,1,0|2,0,0]=3 1092 B9R1.6 ClC(=O)c1cccnc1 1P008RIG [0,0,0,0,1,0|2,0,0]=3 1093 B9R1.6 ClC(=O)c1ccncc1 1P003RKP [0,0,0,0,1,0|2,0,0]=3 1094 B9R1.6 ClC(=O)c1cnccn1 1P002C00 [0,0,0,0,1,0|3,0,0]=4 1095 B9R1.6 ClC(=O)c1cncnc1 1P00CJ9M [0,0,0,0,1,0|3,0,0]=4 1096 B9R1.6 ClC(=O)c1ncccn1 1P00CGQU [0,0,0,0,1,0|3,0,0]=4 1097 B9R1.6 ClC(=S)c1ccccc1 1P01E7HC [0,0,0,0,1,0|1,1,0]=3 1098 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [0,0,0,0,1,0|2,0,1]=4 1099 B9R1.6 ClP(c1ccccc1)Cl 1P0035XX [0,0,0,0,1,0|3,0,0]=4 1100 B9R1.6 ClS(=O)c1ccccc1 1P00DHD9 [0,0,0,0,1,0|2,0,0]=3 1101 B9R1.6 Cl[I](c1ccccc1)Cl 1P0037A2 [0,0,0,0,1,0|3,0,0]=4 1102 B9R1.6 FC(=C)c1ccccc1 1P005W4Z [0,0,0,0,1,0|1,0,1]=3 1103 B9R1.6 FC(=O)c1ccccc1 1P00D8I4 [0,0,0,0,1,0|1,0,0]=2 1104 B9R1.6 FC(c1ccccc1)Br 1P020M24 [0,0,0,0,1,0|2,0,1]=4 1105 B9R1.6 FC(c1ccccc1)F 1P00DCHS [0,0,0,0,1,0|2,0,1]=4 1106 B9R1.6 NC(=N)c1ccccc1 1P002J4G [0,0,0,0,1,0|2,0,0]=3 1107 B9R1.6 NC(=N)c1ccccc1 1P0034Y8 [0,0,0,0,1,0|2,0,0]=3 1108 B9R1.6 NC(=N)c1ccccc1 1P003OH8 [0,0,0,0,1,0|2,0,0]=3 1109 B9R1.6 NC(=N)c1ccccc1 1P00FJIS [0,0,0,0,1,0|2,0,0]=3 1110 B9R1.6 NC(=N)c1ccccn1 1P0035Y9 [0,0,0,0,1,0|3,0,0]=4 1111 B9R1.6 NC(=N)c1cccnc1 1P002N4J [0,0,0,0,1,0|3,0,0]=4 1112 B9R1.6 NC(=N)c1cccnc1 1P003KCV [0,0,0,0,1,0|3,0,0]=4 1113 B9R1.6 NC(=N)c1cccnc1 1P00EEAY [0,0,0,0,1,0|3,0,0]=4 1114 B9R1.6 NC(=N)c1ccncc1 1P0035IL [0,0,0,0,1,0|3,0,0]=4 1115 B9R1.6 NC(=N)c1ccncc1 1P00EDM3 [0,0,0,0,1,0|3,0,0]=4 1116 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [0,0,0,0,1,0|1,0,0]=2 1117 B9R1.6 NC(=O)c1ccccn1 1P003U8O [0,0,0,0,1,0|2,0,0]=3 1118 B9R1.6 NC(=O)c1cccnc1 1P00IKH0 [0,0,0,0,1,0|2,0,0]=3 1119 B9R1.6 NC(=O)c1cccnn1 1P00DL9W [0,0,0,0,1,0|3,0,0]=4 1120 B9R1.6 NC(=O)c1ccncc1 1P001L8G [0,0,0,0,1,0|2,0,0]=3 1121 B9R1.6 NC(=O)c1ccncn1 1P002WFX [0,0,0,0,1,0|3,0,0]=4 1122 B9R1.6 NC(=O)c1ccnnc1 1P00H1KR [0,0,0,0,1,0|3,0,0]=4 1123 B9R1.6 NC(=O)c1cnccn1 1P003UIG [0,0,0,0,1,0|3,0,0]=4 1124 B9R1.6 NC(=O)c1cncnc1 1P00BXU6 [0,0,0,0,1,0|3,0,0]=4 1125 B9R1.6 NC(=O)c1ncccn1 1P00490W [0,0,0,0,1,0|3,0,0]=4 1126 B9R1.6 NC(=S)c1ccccc1 1P00365I [0,0,0,0,1,0|1,1,0]=3 1127 B9R1.6 NC(=S)c1ccccn1 1P00IA0A [0,0,0,0,1,0|2,1,0]=4 1128 B9R1.6 NC(=S)c1cccnc1 1P00I915 [0,0,0,0,1,0|2,1,0]=4 1129 B9R1.6 NC(=S)c1ccncc1 1P003V92 [0,0,0,0,1,0|2,1,0]=4 1130 B9R1.6 NS(=O)c1ccccc1 1P001SKC [0,0,0,0,1,0|2,0,0]=3 1131 B9R1.6 O=N(=O)c1ccccc1 1P003TLR [0,0,0,0,1,0|2,0,0]=3 1132 B9R1.6 OB(c1ccccc1)O 1P0035XS [0,0,0,0,1,0|2,0,1]=4 1133 B9R1.6 OC(=O)c1ccccc1 1P0034YN [0,0,0,0,1,0|1,0,0]=2 1134 B9R1.6 OC(=O)c1ccccc1 1P003U1P [0,0,0,0,1,0|1,0,0]=2 1135 B9R1.6 OC(=O)c1ccccc1 1P0080KJ [0,0,0,0,1,0|1,0,0]=2 1136 B9R1.6 OC(=O)c1ccccc1 1P00GSC1 [0,0,0,0,1,0|1,0,0]=2 1137 B9R1.6 OC(=O)c1ccccc1 1P01JV1A [0,0,0,0,1,0|1,0,0]=2 1138 B9R1.6 OC(=O)c1ccccn1 1P0035Y8 [0,0,0,0,1,0|2,0,0]=3 1139 B9R1.6 OC(=O)c1ccccn1 1P003U8P [0,0,0,0,1,0|2,0,0]=3 1140 B9R1.6 OC(=O)c1cccnc1 1P00EZXS [0,0,0,0,1,0|2,0,0]=3 1141 B9R1.6 OC(=O)c1cccnc1 1P00IBTV [0,0,0,0,1,0|2,0,0]=3 1142 B9R1.6 OC(=O)c1cccnn1 1P00BCBL [0,0,0,0,1,0|3,0,0]=4 1143 B9R1.6 OC(=O)c1cccnn1 1P01Z9RM [0,0,0,0,1,0|3,0,0]=4 1144 B9R1.6 OC(=O)c1ccncc1 1P0035IK [0,0,0,0,1,0|2,0,0]=3 1145 B9R1.6 OC(=O)c1ccncn1 1P003UJM [0,0,0,0,1,0|3,0,0]=4 1146 B9R1.6 OC(=O)c1ccnnc1 1P0034LS [0,0,0,0,1,0|3,0,0]=4 1147 B9R1.6 OC(=O)c1cnccn1 1P0033WC [0,0,0,0,1,0|3,0,0]=4 1148 B9R1.6 OC(=O)c1cncnc1 1P003NF7 [0,0,0,0,1,0|3,0,0]=4 1149 B9R1.6 OC(=O)c1ncccn1 1P003UJL [0,0,0,0,1,0|3,0,0]=4 1150 B9R1.6 OC(=O)c1ncccn1 1P01AJVA [0,0,0,0,1,0|3,0,0]=4 1151 B9R1.6 OC(=S)c1ccccc1 1P00365J [0,0,0,0,1,0|1,0,1]=3 1152 B9R1.6 OP(=O)c1ccccc1 1P00262L [0,0,0,0,1,0|2,0,0]=3 1153 B9R1.6 OS(=O)c1ccccc1 1P00IBDR [0,0,0,0,1,0|2,0,0]=3 1154 B9R1.6 O[Se](=O)c1ccccc1 1P003OHL [0,0,0,0,1,0|2,0,0]=3 1155 B9R1.6 [O-]C(=O)c1ccccc1 1P001YXL [0,0,0,0,1,0|1,0,0]=2 1156 B9R1.6 [O-]C(=O)c1ccccc1 1P00361Z [0,0,0,0,1,0|1,0,0]=2 1157 B9R1.6 [O-]C(=O)c1ccccc1 1P003OB0 [0,0,0,0,1,0|1,0,0]=2 1158 B9R1.6 [O-]C(=O)c1ccccc1 1P003RRN [0,0,0,0,1,0|1,0,0]=2 1159 B9R1.6 [O-]C(=O)c1ccccc1 1P003UCI [0,0,0,0,1,0|1,0,0]=2 1160 B9R1.6 [O-]C(=O)c1ccccc1 1P003UPU [0,0,0,0,1,0|1,0,0]=2 1161 B9R1.6 [O-]C(=O)c1ccccc1 1P00C9FZ [0,0,0,0,1,0|1,0,0]=2 1162 B9R1.6 [O-]C(=O)c1ccccc1 1P00D9FZ [0,0,0,0,1,0|1,0,0]=2 1163 B9R1.6 [O-]C(=O)c1ccccc1 1P01DORW [0,0,0,0,1,0|1,0,0]=2 1164 B9R1.6 [O-]C(=O)c1ccccn1 1P001FPK [0,0,0,0,1,0|2,0,0]=3 1165 B9R1.6 [O-]C(=O)c1ccccn1 1P003PCW [0,0,0,0,1,0|2,0,0]=3 1166 B9R1.6 [O-]C(=O)c1ccccn1 1P003U8R [0,0,0,0,1,0|2,0,0]=3 1167 B9R1.6 [O-]C(=O)c1cccnc1 1P003UTW [0,0,0,0,1,0|2,0,0]=3 1168 B9R1.6 [O-]C(=O)c1ccncc1 1P003US2 [0,0,0,0,1,0|2,0,0]=3 1169 B9R1.6 [O-]C(=O)c1ccncn1 1P0055B7 [0,0,0,0,1,0|3,0,0]=4 1170 B9R1.6 [O-]S(=O)c1ccccc1 1P002RKI [0,0,0,0,1,0|2,0,0]=3 1171 B9R1.6 [O-]S(=O)c1ccccc1 1P00388M [0,0,0,0,1,0|2,0,0]=3 1172 B9R1.6 [O-]S(=O)c1ccccc1 1P004L8X [0,0,0,0,1,0|2,0,0]=3 1173 B9R1.6 [O-]S(=O)c1ccccn1 1P00I55G [0,0,0,0,1,0|3,0,0]=4 1174 B9R1.6 [O-]S(=O)c1ccccn1 1P01AGPS [0,0,0,0,1,0|3,0,0]=4 1175 B9R1.6 [O-]S(=O)c1cccnc1 1P00A6VE [0,0,0,0,1,0|3,0,0]=4 1176 B9R1.6 [O-]S(=O)c1cccnc1 1P027XAI [0,0,0,0,1,0|3,0,0]=4 1177 B9R1.6 [O-]S(=O)c1ccncc1 1P01FNTD [0,0,0,0,1,0|3,0,0]=4 1178 B9R1.6 [O-][N+](=O)c1ccccn1 1P001MRG [0,0,0,0,1,0|3,0,0]=4 1179 B9R1.6 [O-][N+](=O)c1cccnc1 1P003KAJ [0,0,0,0,1,0|3,0,0]=4 1180 B9R1.6 [O-][N+](=O)c1ccncc1 1P007C8Z [0,0,0,0,1,0|3,0,0]=4 1181 B9R1.13 CC(=O)Cc1ccco1 1P003BP0 [0,0,0,0,1,0|2,0,0]=3 1182 B9R1.13 CC(=O)Cc1cccs1 1P007GZM [0,0,0,0,1,0|2,0,0]=3 1183 B9R1.13 CC(=O)Cc1ccno1 1P009V9M [0,0,0,0,1,0|3,0,0]=4 1184 B9R1.13 CC(=O)Cc1cocc1 1P01BBKY [0,0,0,0,1,0|2,0,0]=3 1185 B9R1.13 CC(=O)Cc1cscc1 1P00EDS1 [0,0,0,0,1,0|2,0,0]=3 1186 B9R1.13 CC(=O)Cn1cccn1 1P00ECG4 [0,0,0,0,1,0|3,0,0]=4 1187 B9R1.13 CC(=O)Cn1cccn1 1P00J285 [0,0,0,0,1,0|3,0,0]=4 1188 B9R1.13 CC(=O)Nc1cc[nH]n1 1P003J9E [0,0,0,0,1,0|3,0,0]=4 1189 B9R1.13 CC(=O)Nc1cccs1 1P000V1D [0,0,0,0,1,0|2,0,0]=3 1190 B9R1.13 CC(=O)Nc1conc1 1P008Z3T [0,0,0,0,1,0|3,0,0]=4 1191 B9R1.13 CC(=O)Nc1cscc1 1P003SRX [0,0,0,0,1,0|2,0,0]=3 1192 B9R1.13 CC(=O)Nc1nccs1 1P00BCTQ [0,0,0,0,1,0|3,0,0]=4 1193 B9R1.13 CN(C=C1C=CC=C1)C 1P0069DX [0,0,0,0,1,0|3,0,0]=4 1194 B9R1.13 ClC(=O)Cc1cccs1 1P003IEV [0,0,0,0,1,0|3,0,0]=4 1195 B9R1.13 ClC(=O)Cc1cscc1 1P0014CA [0,0,0,0,1,0|3,0,0]=4 1196 B9R1.13 NC(=O)Cc1ccc[nH]1 1P00IG80 [0,0,0,0,1,0|3,0,0]=4 1197 B9R1.13 NC(=O)Cc1cccs1 1P003V97 [0,0,0,0,1,0|3,0,0]=4 1198 B9R1.13 NC(=O)Cc1cscc1 1P009XM0 [0,0,0,0,1,0|3,0,0]=4 1199 B9R1.13 OC(=O)C[C-]1C=CC=C1 1P000YSM [0,0,0,0,1,0|2,0,1]=4 1200 B9R1.13 OC(=O)Cc1c[nH]cc1 1P004ORH [0,0,0,0,1,0|3,0,0]=4 1201 B9R1.13 OC(=O)Cc1ccc[nH]1 1P003UJS [0,0,0,0,1,0|3,0,0]=4 1202 B9R1.13 OC(=O)Cc1ccco1 1P0038KQ [0,0,0,0,1,0|3,0,0]=4 1203 B9R1.13 OC(=O)Cc1cccs1 1P002FXX [0,0,0,0,1,0|3,0,0]=4 1204 B9R1.13 OC(=O)Cc1cocc1 1P000LCB [0,0,0,0,1,0|3,0,0]=4 1205 B9R1.13 OC(=O)Cc1cscc1 1P003FLQ [0,0,0,0,1,0|3,0,0]=4 1206 B9R1.13 OC(=O)Cn1cccc1 1P002FVW [0,0,0,0,1,0|3,0,0]=4 1207 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [0,0,0,0,0,1|1,0,0]=2 1208 B11R1.91 CC(=C)COc1cccnc1 1P01BVZD [0,0,0,0,0,1|2,0,0]=3 1209 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [0,0,0,0,0,1|2,0,0]=3 1210 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [0,0,0,0,0,1|2,0,0]=3 1211 B11R1.91 CC(=O)C#Cc1ccccc1 1P0023J2 [0,0,0,0,0,1|1,0,0]=2 1212 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [0,0,0,0,0,1|1,0,0]=2 1213 B11R1.91 CC(=O)C=Cc1ccccn1 1P01BF2A [0,0,0,0,0,1|2,0,0]=3 1214 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [0,0,0,0,0,1|1,0,0]=2 1215 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [0,0,0,0,0,1|2,0,0]=3 1216 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [0,0,0,0,0,1|2,0,0]=3 1217 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [0,0,0,0,0,1|2,0,0]=3 1218 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [0,0,0,0,0,1|0,0,0]=1 1219 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [0,0,0,0,0,1|0,1,0]=2 1220 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [0,0,0,0,0,1|1,0,0]=2 1221 B11R1.91 CC(=O)NCc1ccccn1 1P019LWA [0,0,0,0,0,1|2,0,0]=3 1222 B11R1.91 CC(=O)NCc1cccnc1 1P002M86 [0,0,0,0,0,1|2,0,0]=3 1223 B11R1.91 CC(=O)NCc1cccnn1 1P01BW9E [0,0,0,0,0,1|3,0,0]=4 1224 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [0,0,0,0,0,1|1,0,0]=2 1225 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [0,0,0,0,0,1|0,0,0]=1 1226 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [0,0,0,0,0,1|1,0,0]=2 1227 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [0,0,0,0,0,1|1,0,0]=2 1228 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [0,0,0,0,0,1|0,1,0]=2 1229 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [0,0,0,0,0,1|1,0,0]=2 1230 B11R1.91 CC(C#Cc1ccccc1)O 1P00IAWU [0,0,0,0,0,1|1,0,2]=4 1231 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,0,0,0,0,1|2,0,1]=4 1232 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,0,0,0,0,1|2,0,1]=4 1233 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,0,0,0,0,1|1,0,2]=4 1234 B11R1.91 CC(CNc1ccccc1)C 1P01BBFJ [0,0,0,0,0,1|2,0,1]=4 1235 B11R1.91 CC(CNc1ccccc1)N 1P01AHZV [0,0,0,0,0,1|2,0,1]=4 1236 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [0,0,0,0,0,1|1,0,2]=4 1237 B11R1.91 CC(COc1ccccc1)Cl 1P003F26 [0,0,0,0,0,1|1,0,1]=3 1238 B11R1.91 CC(COc1ccccc1)N 1P00B4N7 [0,0,0,0,0,1|1,0,1]=3 1239 B11R1.91 CC(COc1ccccc1)N 1P00CASM [0,0,0,0,0,1|1,0,1]=3 1240 B11R1.91 CC(COc1ccccc1)O 1P003BIN [0,0,0,0,0,1|0,0,2]=3 1241 B11R1.91 CC(COc1cccnc1)C 1P01BVON [0,0,0,0,0,1|2,0,1]=4 1242 B11R1.91 CC(CSc1ccccc1)N 1P01ASU9 [0,0,0,0,0,1|1,1,1]=4 1243 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [0,0,0,0,0,1|2,0,1]=4 1244 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [0,0,0,0,0,1|2,0,1]=4 1245 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [0,0,0,0,0,1|1,0,1]=3 1246 B11R1.91 CN(C=Nc1ccccc1)C 1P0026DM [0,0,0,0,0,1|3,0,0]=4 1247 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [0,0,0,0,0,1|3,0,0]=4 1248 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [0,0,0,0,0,1|3,0,0]=4 1249 B11R1.91 CN(NCc1ccccc1)C 1P005L63 [0,0,0,0,0,1|3,0,0]=4 1250 B11R1.91 C[C@@H](C=Cc1ccccc1)O 1P005S8J [0,0,0,0,0,1|1,0,2]=4 1251 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,0,0,0,0,1|1,0,2]=4 1252 B11R1.91 C[C@@H](COc1ccccc1)N 1P028UI7 [0,0,0,0,0,1|1,0,1]=3 1253 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,0,0,0,0,1|2,0,1]=4 1254 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,0,0,0,0,1|1,0,2]=4 1255 B11R1.91 C[C@H](COc1ccccc1)N 1P028USB [0,0,0,0,0,1|1,0,1]=3 1256 B11R1.91 C[C@H](\C=C\c1ccccc1)O 1P01J4Q9 [0,0,0,0,0,1|1,0,2]=4 1257 B11R1.91 ClC(=C)CSc1ccccc1 1P01EME7 [0,0,0,0,0,1|1,1,1]=4 1258 B11R1.91 ClC(=O)C=Cc1ccccc1 1P0006PX [0,0,0,0,0,1|2,0,0]=3 1259 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [0,0,0,0,0,1|2,0,0]=3 1260 B11R1.91 ClC(=O)COc1ccccc1 1P003U56 [0,0,0,0,0,1|1,0,0]=2 1261 B11R1.91 ClC(=O)CSc1ccncc1 1P00I5MB [0,0,0,0,0,1|2,1,0]=4 1262 B11R1.91 ClC(=O)OCc1cccnc1 1P01DWJE [0,0,0,0,0,1|2,0,0]=3 1263 B11R1.91 ClC(=O)\C=C\c1ccccc1 1P00ACFX [0,0,0,0,0,1|2,0,0]=3 1264 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,0,0,0,0,1|3,0,0]=4 1265 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,0,0,0,0,1|2,0,0]=3 1266 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,0,0,0,0,1|2,1,0]=4 1267 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,0,0,0,0,1|3,0,0]=4 1268 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,0,0,0,0,1|3,0,0]=4 1269 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,0,0,0,0,1|2,1,0]=4 1270 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,0,0,0,0,1|3,0,0]=4 1271 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,0,0,0,0,1|3,0,0]=4 1272 B11R1.91 NC(=O)C#Cc1ccccc1 1P00697N [0,0,0,0,0,1|2,0,0]=3 1273 B11R1.91 NC(=O)C=Cc1ccccc1 1P00352M [0,0,0,0,0,1|2,0,0]=3 1274 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,0,0,0,0,1|2,0,0]=3 1275 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [0,0,0,0,0,1|3,0,0]=4 1276 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [0,0,0,0,0,1|3,0,0]=4 1277 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,0,0,0,0,1|2,0,0]=3 1278 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,0,0,0,0,1|1,0,0]=2 1279 B11R1.91 NC(=O)COc1cccnc1 1P01A97N [0,0,0,0,0,1|2,0,0]=3 1280 B11R1.91 NC(=O)COc1ncccn1 1P028PLJ [0,0,0,0,0,1|3,0,0]=4 1281 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,0,0,0,0,1|1,1,0]=3 1282 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,0,0,0,0,1|2,0,0]=3 1283 B11R1.91 NC(=O)NCc1ccccn1 1P00IRVC [0,0,0,0,0,1|3,0,0]=4 1284 B11R1.91 NC(=O)NCc1cccnc1 1P00CKKY [0,0,0,0,0,1|3,0,0]=4 1285 B11R1.91 NC(=O)NCc1ccncc1 1P01A9GM [0,0,0,0,0,1|3,0,0]=4 1286 B11R1.91 NC(=O)NNc1ccccc1 1P003F3K [0,0,0,0,0,1|2,0,0]=3 1287 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,0,0,0,0,1|1,0,0]=2 1288 B11R1.91 NC(=O)\C=C/c1ccccc1 1P0076YW [0,0,0,0,0,1|2,0,0]=3 1289 B11R1.91 NC(=O)\C=C\c1ccccc1 1P00352N [0,0,0,0,0,1|2,0,0]=3 1290 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,0,0,0,0,1|2,1,0]=4 1291 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,0,0,0,0,1|1,1,0]=3 1292 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,0,0,0,0,1|2,1,0]=4 1293 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,0,0,0,0,1|2,1,0]=4 1294 B11R1.91 NC(=S)NNc1ccccc1 1P003F2X [0,0,0,0,0,1|2,1,0]=4 1295 B11R1.91 OC(=O)C#Cc1ccccc1 1P003U6Q [0,0,0,0,0,1|2,0,0]=3 1296 B11R1.91 OC(=O)C#Cc1ccccn1 1P00IE9J [0,0,0,0,0,1|3,0,0]=4 1297 B11R1.91 OC(=O)C#Cc1cccnc1 1P00EIWZ [0,0,0,0,0,1|3,0,0]=4 1298 B11R1.91 OC(=O)C#Cc1ccncc1 1P003IM3 [0,0,0,0,0,1|3,0,0]=4 1299 B11R1.91 OC(=O)C=Cc1ccccc1 1P0037GS [0,0,0,0,0,1|2,0,0]=3 1300 B11R1.91 OC(=O)C=Cc1ccccn1 1P019V8F [0,0,0,0,0,1|3,0,0]=4 1301 B11R1.91 OC(=O)C=Cc1cccnc1 1P00IL06 [0,0,0,0,0,1|3,0,0]=4 1302 B11R1.91 OC(=O)C=Cc1ccncc1 1P003VDO [0,0,0,0,0,1|3,0,0]=4 1303 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [0,0,0,0,0,1|2,0,0]=3 1304 B11R1.91 OC(=O)CCc1ccccn1 1P003II5 [0,0,0,0,0,1|3,0,0]=4 1305 B11R1.91 OC(=O)CCc1ccccn1 1P01BEQE [0,0,0,0,0,1|3,0,0]=4 1306 B11R1.91 OC(=O)CCc1cccnc1 1P003IJC [0,0,0,0,0,1|3,0,0]=4 1307 B11R1.91 OC(=O)CCc1ccncc1 1P0039U4 [0,0,0,0,0,1|3,0,0]=4 1308 B11R1.91 OC(=O)CNc1ccccc1 1P003TRX [0,0,0,0,0,1|2,0,0]=3 1309 B11R1.91 OC(=O)CNc1ccccn1 1P00DG3D [0,0,0,0,0,1|3,0,0]=4 1310 B11R1.91 OC(=O)CNc1ccccn1 1P00HCVK [0,0,0,0,0,1|3,0,0]=4 1311 B11R1.91 OC(=O)CNc1cccnc1 1P00CILN [0,0,0,0,0,1|3,0,0]=4 1312 B11R1.91 OC(=O)CNc1cccnc1 1P01DX0R [0,0,0,0,0,1|3,0,0]=4 1313 B11R1.91 OC(=O)CNc1ccncc1 1P00DLDX [0,0,0,0,0,1|3,0,0]=4 1314 B11R1.91 OC(=O)CNc1ccncc1 1P00FUIP [0,0,0,0,0,1|3,0,0]=4 1315 B11R1.91 OC(=O)COc1ccccc1 1P0016ZP [0,0,0,0,0,1|1,0,0]=2 1316 B11R1.91 OC(=O)COc1ccccn1 1P00IAV5 [0,0,0,0,0,1|2,0,0]=3 1317 B11R1.91 OC(=O)COc1ccccn1 1P01JV0E [0,0,0,0,0,1|2,0,0]=3 1318 B11R1.91 OC(=O)COc1cccnc1 1P004LEB [0,0,0,0,0,1|2,0,0]=3 1319 B11R1.91 OC(=O)COc1cccnc1 1P00DK7D [0,0,0,0,0,1|2,0,0]=3 1320 B11R1.91 OC(=O)COc1ccncc1 1P00IAV4 [0,0,0,0,0,1|2,0,0]=3 1321 B11R1.91 OC(=O)COc1ccncn1 1P028E5L [0,0,0,0,0,1|3,0,0]=4 1322 B11R1.91 OC(=O)CSc1ccccc1 1P003CIK [0,0,0,0,0,1|1,1,0]=3 1323 B11R1.91 OC(=O)CSc1ccccn1 1P0000S4 [0,0,0,0,0,1|2,1,0]=4 1324 B11R1.91 OC(=O)CSc1ccncc1 1P003CDE [0,0,0,0,0,1|2,1,0]=4 1325 B11R1.91 OC(=O)\C=C\c1ccccc1 1P001CDN [0,0,0,0,0,1|2,0,0]=3 1326 B11R1.91 OC(=O)\C=C\c1ccccn1 1P0033WY [0,0,0,0,0,1|3,0,0]=4 1327 B11R1.91 OC(=O)\C=C\c1cccnc1 1P003CH8 [0,0,0,0,0,1|3,0,0]=4 1328 B11R1.91 OC(=O)\C=C\c1ccncc1 1P00I9ZU [0,0,0,0,0,1|3,0,0]=4 1329 B11R1.91 OS(=O)\C=C\c1ccccc1 1P01C8KK [0,0,0,0,0,1|3,0,0]=4 1330 B11R1.91 [O-]C(=O)C#Cc1ccccn1 1P0287XF [0,0,0,0,0,1|3,0,0]=4 1331 B11R1.91 [O-]C(=O)C=Cc1ccccc1 1P001VX1 [0,0,0,0,0,1|2,0,0]=3 1332 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [0,0,0,0,0,1|2,0,0]=3 1333 B11R1.91 [O-]C(=O)CNc1ccccc1 1P003TRZ [0,0,0,0,0,1|2,0,0]=3 1334 B11R1.91 [O-]C(=O)COc1ccccc1 1P003UU9 [0,0,0,0,0,1|1,0,0]=2 1335 B11R1.91 [O-]C(=O)COc1ccccc1 1P00I6DB [0,0,0,0,0,1|1,0,0]=2 1336 B11R1.91 [O-]C(=O)COc1ccccn1 1P01EKJX [0,0,0,0,0,1|2,0,0]=3 1337 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 1P00IA2C [0,0,0,0,0,1|2,0,0]=3 1338 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [0,0,0,0,0,1|3,0,0]=4 1339 B11R1.91 [O-][N+](=O)C=Cc1ccccc1 1P0006PU [0,0,0,0,0,1|3,0,0]=4 1340 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [0,0,0,0,0,1|3,0,0]=4 1341 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 1P00DEKI [0,0,0,0,0,1|3,0,0]=4 1342 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [0,0,0,0,0,1|2,1,0]=4 1343 B8R1.2 BrCc1ccccc1 1P0000N4 [2,0,0,0,0,0|1,0,1]=4 1344 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [2,0,0,0,0,0|2,0,0]=4 1345 B8R1.2 Br[Se]c1ccccc1 1P00399Q [2,0,0,0,0,0|1,1,0]=4 1346 B8R1.2 C#Cc1ccccc1 1P0037R1 [2,0,0,0,0,0|0,0,2]=4 1347 B8R1.2 C=C[n+]1ccccc1 1P01EWMV [2,0,0,0,0,0|1,0,1]=4 1348 B8R1.2 C=Cc1ccccc1 1P0000N1 [2,0,0,0,0,0|0,0,1]=3 1349 B8R1.2 C=Cc1ccccc1 1P00C4A8 [2,0,0,0,0,0|0,0,1]=3 1350 B8R1.2 C=Cc1cccnc1 1P003491 [2,0,0,0,0,0|1,0,1]=4 1351 B8R1.2 C=Cc1ccncc1 1P0000N0 [2,0,0,0,0,0|1,0,1]=4 1352 B8R1.2 CC[n+]1ccccc1 1P002F4L [2,0,0,0,0,0|1,0,1]=4 1353 B8R1.2 CC[n+]1ccccc1 1P002M2C [2,0,0,0,0,0|1,0,1]=4 1354 B8R1.2 CC[n+]1ccccc1 1P00CL4T [2,0,0,0,0,0|1,0,1]=4 1355 B8R1.2 CCc1ccccc1 1P0000N2 [2,0,0,0,0,0|0,0,1]=3 1356 B8R1.2 CCc1ccccn1 1P0000NJ [2,0,0,0,0,0|1,0,1]=4 1357 B8R1.2 CCc1cccnc1 1P00DE9B [2,0,0,0,0,0|1,0,1]=4 1358 B8R1.2 CCc1ccncc1 1P003LT3 [2,0,0,0,0,0|1,0,1]=4 1359 B8R1.2 CNc1ccccc1 1P0000NT [2,0,0,0,0,0|1,0,0]=3 1360 B8R1.2 CNc1ccccc1 1P003TNS [2,0,0,0,0,0|1,0,0]=3 1361 B8R1.2 CNc1ccccn1 1P003TP7 [2,0,0,0,0,0|2,0,0]=4 1362 B8R1.2 CNc1cccnc1 1P00289C [2,0,0,0,0,0|2,0,0]=4 1363 B8R1.2 CNc1ccncc1 1P007CLZ [2,0,0,0,0,0|2,0,0]=4 1364 B8R1.2 COc1[c-]nccc1 1P008UE4 [2,0,0,0,0,0|1,0,1]=4 1365 B8R1.2 COc1ccccc1 1P0000NO [2,0,0,0,0,0|0,0,0]=2 1366 B8R1.2 COc1ccccn1 1P001TWH [2,0,0,0,0,0|1,0,0]=3 1367 B8R1.2 COc1cccnc1 1P00347L [2,0,0,0,0,0|1,0,0]=3 1368 B8R1.2 COc1cccnn1 1P002F5K [2,0,0,0,0,0|2,0,0]=4 1369 B8R1.2 COc1ccncc1 1P003M5N [2,0,0,0,0,0|1,0,0]=3 1370 B8R1.2 COc1ccncn1 1P00EFLG [2,0,0,0,0,0|2,0,0]=4 1371 B8R1.2 COc1ccnnc1 1P002JGU [2,0,0,0,0,0|2,0,0]=4 1372 B8R1.2 COc1cnccn1 1P003I17 [2,0,0,0,0,0|2,0,0]=4 1373 B8R1.2 COc1cncnc1 1P00BXRG [2,0,0,0,0,0|2,0,0]=4 1374 B8R1.2 COc1ncccn1 1P003I1A [2,0,0,0,0,0|2,0,0]=4 1375 B8R1.2 CSc1ccccc1 1P0000NM [2,0,0,0,0,0|0,1,0]=3 1376 B8R1.2 CSc1ccccn1 1P00AP6U [2,0,0,0,0,0|1,1,0]=4 1377 B8R1.2 CSc1cccnc1 1P002H17 [2,0,0,0,0,0|1,1,0]=4 1378 B8R1.2 CSc1ccncc1 1P00CCG6 [2,0,0,0,0,0|1,1,0]=4 1379 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [2,0,0,0,0,0|0,1,0]=3 1380 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [2,0,0,0,0,0|2,0,0]=4 1381 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [2,0,0,0,0,0|1,1,0]=4 1382 B8R1.2 ICc1ccccc1 1P0037QF [2,0,0,0,0,0|1,0,1]=4 1383 B8R1.2 N#Cc1ccccc1 1P0000MW [2,0,0,0,0,0|1,0,1]=4 1384 B8R1.2 N#Cc1ccccc1 1P001LN2 [2,0,0,0,0,0|1,0,1]=4 1385 B8R1.2 N#Cc1ccccc1 1P003OQS [2,0,0,0,0,0|1,0,1]=4 1386 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [2,0,0,0,0,0|2,0,0]=4 1387 B8R1.2 NCc1ccccc1 1P0000MX [2,0,0,0,0,0|1,0,1]=4 1388 B8R1.2 NCc1ccccc1 1P003OLG [2,0,0,0,0,0|1,0,1]=4 1389 B8R1.2 NCc1ccccc1 1P00BYUK [2,0,0,0,0,0|1,0,1]=4 1390 B8R1.2 NCc1ccccc1 1P00DH5Y [2,0,0,0,0,0|1,0,1]=4 1391 B8R1.2 NNc1ccccc1 1P0000NR [2,0,0,0,0,0|2,0,0]=4 1392 B8R1.2 NNc1ccccc1 1P0035XW [2,0,0,0,0,0|2,0,0]=4 1393 B8R1.2 NNc1ccccc1 1P003U6F [2,0,0,0,0,0|2,0,0]=4 1394 B8R1.2 NOc1ccccc1 1P0037K5 [2,0,0,0,0,0|1,0,0]=3 1395 B8R1.2 O=Cc1ccccn1 1P0033WE [2,0,0,0,0,0|1,0,0]=3 1396 B8R1.2 O=Cc1cccnc1 1P00348S [2,0,0,0,0,0|1,0,0]=3 1397 B8R1.2 O=Cc1cccnn1 1P00EGBR [2,0,0,0,0,0|2,0,0]=4 1398 B8R1.2 O=Cc1ccncc1 1P0034LU [2,0,0,0,0,0|1,0,0]=3 1399 B8R1.2 O=Cc1ccncc1 1P003MH5 [2,0,0,0,0,0|1,0,0]=3 1400 B8R1.2 O=Cc1ccncn1 1P00360K [2,0,0,0,0,0|2,0,0]=4 1401 B8R1.2 O=Cc1ccnnc1 1P0037UD [2,0,0,0,0,0|2,0,0]=4 1402 B8R1.2 O=Cc1cnccn1 1P003937 [2,0,0,0,0,0|2,0,0]=4 1403 B8R1.2 O=Cc1cncnc1 1P00034V [2,0,0,0,0,0|2,0,0]=4 1404 B8R1.2 O=Cc1ncccn1 1P003A3I [2,0,0,0,0,0|2,0,0]=4 1405 B8R1.2 O=Nc1ccccc1 1P003AHD [2,0,0,0,0,0|1,0,0]=3 1406 B8R1.2 O=Nc1ccccn1 1P004ZQ7 [2,0,0,0,0,0|2,0,0]=4 1407 B8R1.2 O=[As]c1ccccc1 1P003U68 [2,0,0,0,0,0|1,0,0]=3 1408 B8R1.2 O=[I]c1ccccc1 1P0037R0 [2,0,0,0,0,0|1,0,0]=3 1409 B8R1.2 OCc1ccccc1 1P0000MS [2,0,0,0,0,0|0,0,2]=4 1410 B8R1.2 ONc1ccccc1 1P0000NP [2,0,0,0,0,0|1,0,1]=4 1411 B8R1.2 ONc1ccccc1 1P00G4MK [2,0,0,0,0,0|1,0,1]=4 1412 B8R1.2 SCc1ccccc1 1P0000O1 [2,0,0,0,0,0|0,1,1]=4 1413 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [2,0,0,0,0,0|1,0,1]=4 1414 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [2,0,0,0,0,0|1,0,1]=4 1415 B10R1.1 BrC=Cc1ccc(cc1)Cl 1P000O61 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.1 Br\C=C/c1ccc(cc1)Cl 1P01IUMD [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.1 Br\C=C/c1ccc(cc1)F 1P0284V9 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.1 C=CCc1ccc(cc1)C 1P003L3X [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.1 C=CCc1ccc(cc1)Cl 1P00206A [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.1 C=CCc1ccc(cc1)F 1P001ZL7 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.1 C=CCc1ccc(cc1)O 1P00395J [1,1,0,0,0,0|1,0,1]=4 1422 B10R1.1 C=COc1ccc(cc1)Br 1P0091XP [1,1,0,0,0,0|0,0,1]=3 1423 B10R1.1 CC=Cc1ccc(cc1)N 1P01BBOQ [1,1,0,0,0,0|1,0,0]=3 1424 B10R1.1 CCCc1ccc(cc1)Br 1P00336M [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.1 CCCc1ccc(cc1)Cl 1P003U0V [1,1,0,0,0,0|1,0,1]=4 1426 B10R1.1 CCCc1ccc(cc1)N 1P003MGR [1,1,0,0,0,0|1,0,1]=4 1427 B10R1.1 CCCc1ccc(cc1)O 1P003MGY [1,1,0,0,0,0|1,0,1]=4 1428 B10R1.1 CCCc1ccc(cc1)S 1P01BL0R [1,1,0,0,0,0|1,0,1]=4 1429 B10R1.1 CCNc1ccc(cc1)Br 1P006DFE [1,1,0,0,0,0|1,0,1]=4 1430 B10R1.1 CCNc1ccc(cc1)C 1P003THH [1,1,0,0,0,0|1,0,1]=4 1431 B10R1.1 CCNc1ccc(cc1)C 1P028OAS [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.1 CCNc1ccc(cc1)Cl 1P003TGK [1,1,0,0,0,0|1,0,1]=4 1433 B10R1.1 CCNc1ccc(cc1)Cl 1P01C86E [1,1,0,0,0,0|1,0,1]=4 1434 B10R1.1 CCNc1ccc(cc1)F 1P00C75E [1,1,0,0,0,0|1,0,1]=4 1435 B10R1.1 CCNc1ccc(cc1)F 1P00DZVM [1,1,0,0,0,0|1,0,1]=4 1436 B10R1.1 CCNc1ccc(cc1)N 1P00F0BQ [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.1 CCNc1ccc(cc1)O 1P00FTY5 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.1 CCNc1ccc(cc1)O 1P01BD6C [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.1 CCOc1ccc(cc1)Br 1P003LHI [1,1,0,0,0,0|0,0,1]=3 1440 B10R1.1 CCOc1ccc(cc1)C 1P00EAI5 [1,1,0,0,0,0|0,0,1]=3 1441 B10R1.1 CCOc1ccc(cc1)Cl 1P003LOF [1,1,0,0,0,0|0,0,1]=3 1442 B10R1.1 CCOc1ccc(cc1)F 1P003EQY [1,1,0,0,0,0|0,0,1]=3 1443 B10R1.1 CCOc1ccc(cc1)I 1P003LS2 [1,1,0,0,0,0|0,0,1]=3 1444 B10R1.1 CCOc1ccc(cc1)N 1P001OVT [1,1,0,0,0,0|0,0,1]=3 1445 B10R1.1 CCOc1ccc(cc1)N 1P003UEJ [1,1,0,0,0,0|0,0,1]=3 1446 B10R1.1 CCOc1ccc(cc1)N 1P01EKJG [1,1,0,0,0,0|0,0,1]=3 1447 B10R1.1 CCOc1ccc(cc1)O 1P003LS3 [1,1,0,0,0,0|0,0,1]=3 1448 B10R1.1 CCOc1ccc(cc1)S 1P005TIM [1,1,0,0,0,0|0,0,1]=3 1449 B10R1.1 CCOc1ccc(cn1)Br 1P003MXL [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.1 CCOc1ccc(cn1)Cl 1P00I4SY [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.1 CCOc1ccc(cn1)F 1P008GR1 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.1 CCOc1ccc(cn1)I 1P00GSBW [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.1 CCOc1ccc(cn1)N 1P00I9RP [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.1 CCOc1ccc(nc1)Br 1P0071TQ [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.1 CCOc1ccc(nc1)Cl 1P00G4H7 [1,1,0,0,0,0|1,0,1]=4 1456 B10R1.1 CCOc1ccc(nc1)N 1P00H1EN [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.1 CCSc1ccc(cc1)Br 1P0030UV [1,1,0,0,0,0|0,1,1]=4 1458 B10R1.1 CCSc1ccc(cc1)C 1P00ELQS [1,1,0,0,0,0|0,1,1]=4 1459 B10R1.1 CCSc1ccc(cc1)F 1P002YAA [1,1,0,0,0,0|0,1,1]=4 1460 B10R1.1 CCSc1ccc(cc1)N 1P00J28R [1,1,0,0,0,0|0,1,1]=4 1461 B10R1.1 CN=Cc1ccc(cc1)Cl 1P000W2A [1,1,0,0,0,0|2,0,0]=4 1462 B10R1.1 CNCc1ccc(cc1)Br 1P003LHF [1,1,0,0,0,0|2,0,0]=4 1463 B10R1.1 CNCc1ccc(cc1)Br 1P003TNF [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.1 CNCc1ccc(cc1)C 1P003TNJ [1,1,0,0,0,0|2,0,0]=4 1465 B10R1.1 CNCc1ccc(cc1)C 1P003TON [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.1 CNCc1ccc(cc1)Cl 1P003DFR [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.1 CNCc1ccc(cc1)Cl 1P003TNG [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.1 CNCc1ccc(cc1)F 1P003LWB [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.1 CNCc1ccc(cc1)F 1P00D9LV [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.1 CNCc1ccc(cc1)I 1P028EDZ [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.1 CNCc1ccc(cc1)N 1P003TNE [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.1 CNCc1ccc(cc1)O 1P003L1D [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.1 CNCc1ccc(cc1)O 1P0092KQ [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.1 CNCc1ccc(cc1)O 1P01EAKR [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.1 COCc1ccc(cc1)Br 1P001NU5 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.1 COCc1ccc(cc1)Cl 1P000POK [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.1 COCc1ccc(cc1)I 1P00H370 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.1 COCc1ccc(cc1)N 1P003KPL [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.1 COCc1ccc(cc1)O 1P00DG3W [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.1 COCc1ccc(cc1)S 1P019TSN [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.1 CSCc1ccc(cc1)Br 1P00AS51 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.1 CSCc1ccc(cc1)Cl 1P00EA6D [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.1 CSCc1ccc(cc1)F 1P00EG4L [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.1 CSCc1ccc(cc1)N 1P01AAGG [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.1 CSCc1ccc(cc1)N 1P028CQ4 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.1 C\C=C\c1ccc(cc1)Br 1P0039M8 [1,1,0,0,0,0|1,0,0]=3 1487 B10R1.1 C\C=C\c1ccc(cc1)O 1P0286KE [1,1,0,0,0,0|1,0,0]=3 1488 B10R1.1 ClCOc1ccc(cc1)F 1P01BK8P [1,1,0,0,0,0|1,0,1]=4 1489 B10R1.1 FCOc1ccc(cc1)Br 1P02843R [1,1,0,0,0,0|1,0,1]=4 1490 B10R1.1 FCOc1ccc(cc1)I 1P0287U6 [1,1,0,0,0,0|1,0,1]=4 1491 B10R1.1 FCOc1ccc(cc1)N 1P0288ZL [1,1,0,0,0,0|1,0,1]=4 1492 B10R1.1 O=C=Nc1ccc(cc1)Br 1P002QE0 [1,1,0,0,0,0|1,0,1]=4 1493 B10R1.1 O=C=Nc1ccc(cc1)C 1P003UI3 [1,1,0,0,0,0|1,0,1]=4 1494 B10R1.1 O=C=Nc1ccc(cc1)Cl 1P003LOK [1,1,0,0,0,0|1,0,1]=4 1495 B10R1.1 O=C=Nc1ccc(cc1)F 1P000POJ [1,1,0,0,0,0|1,0,1]=4 1496 B10R1.1 O=C=Nc1ccc(cc1)I 1P001QOL [1,1,0,0,0,0|1,0,1]=4 1497 B10R1.1 O=CCc1ccc(cc1)Br 1P00BCHQ [1,1,0,0,0,0|1,0,0]=3 1498 B10R1.1 O=CCc1ccc(cc1)C 1P0085DU [1,1,0,0,0,0|1,0,0]=3 1499 B10R1.1 O=CCc1ccc(cc1)Cl 1P00BXZ5 [1,1,0,0,0,0|1,0,0]=3 1500 B10R1.1 O=CCc1ccc(cc1)F 1P001ZIV [1,1,0,0,0,0|1,0,0]=3 1501 B10R1.1 O=CNc1ccc(cc1)C 1P0031YS [1,1,0,0,0,0|1,0,0]=3 1502 B10R1.1 O=CNc1ccc(cc1)Cl 1P002SFX [1,1,0,0,0,0|1,0,0]=3 1503 B10R1.1 O=CNc1ccc(cc1)F 1P003EST [1,1,0,0,0,0|1,0,0]=3 1504 B10R1.1 O=CNc1ccc(cc1)O 1P007B39 [1,1,0,0,0,0|1,0,0]=3 1505 B10R1.4 Br\C=C/c1ccccc1F 1P028BPP [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.4 C=CCc1ccccc1Br 1P003EDU [1,1,0,0,0,0|1,0,1]=4 1507 B10R1.4 C=CCc1ccccc1C 1P001R8K [1,1,0,0,0,0|1,0,1]=4 1508 B10R1.4 C=CCc1ccccc1Cl 1P001R8I [1,1,0,0,0,0|1,0,1]=4 1509 B10R1.4 C=CCc1ccccc1O 1P002064 [1,1,0,0,0,0|1,0,1]=4 1510 B10R1.4 CCCc1ccccc1Br 1P01A28R [1,1,0,0,0,0|1,0,1]=4 1511 B10R1.4 CCCc1ccccc1I 1P007DSL [1,1,0,0,0,0|1,0,1]=4 1512 B10R1.4 CCCc1ccccc1N 1P0023UO [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.4 CCCc1ccccc1N 1P028ATX [1,1,0,0,0,0|1,0,1]=4 1514 B10R1.4 CCNc1ccccc1Br 1P01JMHB [1,1,0,0,0,0|1,0,1]=4 1515 B10R1.4 CCNc1ccccc1C 1P00IIDL [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.4 CCNc1ccccc1Cl 1P01B8QN [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.4 CCNc1ccccc1F 1P00BEFS [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.4 CCNc1ccccc1I 1P028SHN [1,1,0,0,0,0|1,0,1]=4 1519 B10R1.4 CCNc1ccccc1N 1P00BJJ4 [1,1,0,0,0,0|1,0,1]=4 1520 B10R1.4 CCNc1ccccc1O 1P0037GB [1,1,0,0,0,0|1,0,1]=4 1521 B10R1.4 CCNc1ccccc1O 1P0282E1 [1,1,0,0,0,0|1,0,1]=4 1522 B10R1.4 CCOc1ccc[nH]c1=O 1P00H06L [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.4 CCOc1ccccc1Br 1P003EJT [1,1,0,0,0,0|0,0,1]=3 1524 B10R1.4 CCOc1ccccc1C 1P00EDEP [1,1,0,0,0,0|0,0,1]=3 1525 B10R1.4 CCOc1ccccc1F 1P00DC78 [1,1,0,0,0,0|0,0,1]=3 1526 B10R1.4 CCOc1ccccc1I 1P00EOB3 [1,1,0,0,0,0|0,0,1]=3 1527 B10R1.4 CCOc1ccccc1N 1P003HMW [1,1,0,0,0,0|0,0,1]=3 1528 B10R1.4 CCOc1ccccc1N 1P003TY7 [1,1,0,0,0,0|0,0,1]=3 1529 B10R1.4 CCOc1cccnc1Br 1P00436J [1,1,0,0,0,0|1,0,1]=4 1530 B10R1.4 CCOc1cccnc1F 1P00IDVS [1,1,0,0,0,0|1,0,1]=4 1531 B10R1.4 CCOc1cccnc1N 1P00019E [1,1,0,0,0,0|1,0,1]=4 1532 B10R1.4 CCOc1ccncc1N 1P001UH4 [1,1,0,0,0,0|1,0,1]=4 1533 B10R1.4 CCOc1cnccc1N 1P00GU33 [1,1,0,0,0,0|1,0,1]=4 1534 B10R1.4 CCOc1ncccc1Br 1P003JH0 [1,1,0,0,0,0|1,0,1]=4 1535 B10R1.4 CCOc1ncccc1Cl 1P0025YL [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.4 CCOc1ncccc1I 1P003HMK [1,1,0,0,0,0|1,0,1]=4 1537 B10R1.4 CCOc1ncccc1N 1P00DLRU [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.4 CCOc1ncccc1O 1P002HLC [1,1,0,0,0,0|1,0,1]=4 1539 B10R1.4 CCSc1ccccc1Br 1P008E10 [1,1,0,0,0,0|0,1,1]=4 1540 B10R1.4 CCSc1ccccc1Cl 1P00I77K [1,1,0,0,0,0|0,1,1]=4 1541 B10R1.4 CCSc1ccccc1N 1P001AY7 [1,1,0,0,0,0|0,1,1]=4 1542 B10R1.4 CCSc1ccccc1N 1P00J3QB [1,1,0,0,0,0|0,1,1]=4 1543 B10R1.4 CCSc1ccccc1O 1P002Z6A [1,1,0,0,0,0|0,1,1]=4 1544 B10R1.4 CNCc1ccccc1Br 1P003C2Q [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.4 CNCc1ccccc1C 1P004MU6 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.4 CNCc1ccccc1C 1P00J2B1 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.4 CNCc1ccccc1Cl 1P005WFN [1,1,0,0,0,0|2,0,0]=4 1548 B10R1.4 CNCc1ccccc1F 1P003C3Y [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.4 CNCc1ccccc1F 1P019WE2 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.4 CNCc1ccccc1I 1P028D3W [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.4 CNCc1ccccc1N 1P00B4VD [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.4 CNCc1ccccc1O 1P003HWH [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.4 CNCc1ccccc1O 1P00IBRS [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.4 CNCc1ccccc1O 1P019NN0 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.4 COCc1ccccc1Br 1P00DAT5 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.4 COCc1ccccc1N 1P019UQK [1,1,0,0,0,0|2,0,0]=4 1557 B10R1.4 COCc1ccccc1O 1P00EIVC [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.4 CSCc1ccccc1Br 1P01AM4A [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.4 CSCc1ccccc1F 1P01DIBG [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.4 CSCc1ccccc1N 1P01AC36 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.4 ClCOc1ccccc1F 1P01BK9I [1,1,0,0,0,0|1,0,1]=4 1562 B10R1.4 O=C=Nc1ccccc1Br 1P003BNC [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.4 O=C=Nc1ccccc1C 1P003TYY [1,1,0,0,0,0|1,0,1]=4 1564 B10R1.4 O=C=Nc1ccccc1F 1P001XUW [1,1,0,0,0,0|1,0,1]=4 1565 B10R1.4 O=C=Nc1ccccc1I 1P000YE4 [1,1,0,0,0,0|1,0,1]=4 1566 B10R1.4 O=CCc1ccccc1Br 1P00IKAJ [1,1,0,0,0,0|1,0,0]=3 1567 B10R1.4 O=CCc1ccccc1Cl 1P00BZYQ [1,1,0,0,0,0|1,0,0]=3 1568 B10R1.4 O=CCc1ccccc1F 1P008QZL [1,1,0,0,0,0|1,0,0]=3 1569 B10R1.4 O=CNc1ccccc1Br 1P00049S [1,1,0,0,0,0|1,0,0]=3 1570 B10R1.4 O=CNc1ccccc1C 1P00GWAW [1,1,0,0,0,0|1,0,0]=3 1571 B10R1.4 O=CNc1ccccc1O 1P00BDFK [1,1,0,0,0,0|1,0,0]=3 1572 B10R1.10 Br\C=C/c1cccc(c1)Cl 1P028AQ3 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.10 C=CCc1cccc(c1)Br 1P0024GG [1,1,0,0,0,0|1,0,1]=4 1574 B10R1.10 C=CCc1cccc(c1)C 1P003EDX [1,1,0,0,0,0|1,0,1]=4 1575 B10R1.10 C=CCc1cccc(c1)F 1P0032AM [1,1,0,0,0,0|1,0,1]=4 1576 B10R1.10 C=CCc1cccc(c1)O 1P001KAF [1,1,0,0,0,0|1,0,1]=4 1577 B10R1.10 C=COc1cccc(c1)C 1P0002M9 [1,1,0,0,0,0|0,0,1]=3 1578 B10R1.10 CC#Cc1cccc(c1)Br 1P00658R [1,1,0,0,0,0|1,0,1]=4 1579 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [1,1,0,0,0,0|1,0,1]=4 1581 B10R1.10 CCCc1cccc(c1)F 1P002W84 [1,1,0,0,0,0|1,0,1]=4 1582 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [1,1,0,0,0,0|1,0,1]=4 1583 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [1,1,0,0,0,0|1,0,1]=4 1584 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [1,1,0,0,0,0|1,0,1]=4 1585 B10R1.10 CCNc1cccc(c1)Br 1P00CRQM [1,1,0,0,0,0|1,0,1]=4 1586 B10R1.10 CCNc1cccc(c1)Br 1P019NBM [1,1,0,0,0,0|1,0,1]=4 1587 B10R1.10 CCNc1cccc(c1)C 1P0006PN [1,1,0,0,0,0|1,0,1]=4 1588 B10R1.10 CCNc1cccc(c1)Cl 1P00ABHB [1,1,0,0,0,0|1,0,1]=4 1589 B10R1.10 CCNc1cccc(c1)F 1P00I5LO [1,1,0,0,0,0|1,0,1]=4 1590 B10R1.10 CCNc1cccc(c1)F 1P019WHA [1,1,0,0,0,0|1,0,1]=4 1591 B10R1.10 CCNc1cccc(c1)N 1P006XSQ [1,1,0,0,0,0|1,0,1]=4 1592 B10R1.10 CCNc1cccc(c1)O 1P000XKE [1,1,0,0,0,0|1,0,1]=4 1593 B10R1.10 CCNc1cccc(c1)O 1P00EUNZ [1,1,0,0,0,0|1,0,1]=4 1594 B10R1.10 CCOc1cc(Br)ccn1 1P00EGBH [1,1,0,0,0,0|1,0,1]=4 1595 B10R1.10 CCOc1cc(N)ccn1 1P003L57 [1,1,0,0,0,0|1,0,1]=4 1596 B10R1.10 CCOc1cccc(=N)[nH]1 1P0058P0 [1,1,0,0,0,0|1,0,1]=4 1597 B10R1.10 CCOc1cccc(c1)Br 1P002U57 [1,1,0,0,0,0|0,0,1]=3 1598 B10R1.10 CCOc1cccc(c1)F 1P00I906 [1,1,0,0,0,0|0,0,1]=3 1599 B10R1.10 CCOc1cccc(c1)I 1P00BG0X [1,1,0,0,0,0|0,0,1]=3 1600 B10R1.10 CCOc1cccc(c1)N 1P0037EN [1,1,0,0,0,0|0,0,1]=3 1601 B10R1.10 CCOc1cccc(c1)O 1P003JUL [1,1,0,0,0,0|0,0,1]=3 1602 B10R1.10 CCOc1cccc(c1)S 1P003JUE [1,1,0,0,0,0|0,0,1]=3 1603 B10R1.10 CCOc1cccc(n1)Br 1P003H7B [1,1,0,0,0,0|1,0,1]=4 1604 B10R1.10 CCOc1cccc(n1)C 1P00ANFJ [1,1,0,0,0,0|1,0,1]=4 1605 B10R1.10 CCOc1cccc(n1)Cl 1P003HGT [1,1,0,0,0,0|1,0,1]=4 1606 B10R1.10 CCOc1cccc(n1)F 1P004NYZ [1,1,0,0,0,0|1,0,1]=4 1607 B10R1.10 CCOc1cccc(n1)N 1P01B7WC [1,1,0,0,0,0|1,0,1]=4 1608 B10R1.10 CCOc1ccnc(c1)Br 1P00AD6A [1,1,0,0,0,0|1,0,1]=4 1609 B10R1.10 CCOc1ccnc(c1)Cl 1P003HDO [1,1,0,0,0,0|1,0,1]=4 1610 B10R1.10 CCOc1ccnc(c1)F 1P0021S3 [1,1,0,0,0,0|1,0,1]=4 1611 B10R1.10 CCOc1ccnc(c1)N 1P003GVT [1,1,0,0,0,0|1,0,1]=4 1612 B10R1.10 CCOc1cncc(c1)Br 1P0078AD [1,1,0,0,0,0|1,0,1]=4 1613 B10R1.10 CCOc1cncc(c1)N 1P00DGRJ [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.10 CCSc1cccc(c1)Br 1P0023MI [1,1,0,0,0,0|0,1,1]=4 1615 B10R1.10 CCSc1cccc(c1)C 1P00CURM [1,1,0,0,0,0|0,1,1]=4 1616 B10R1.10 CCSc1cccc(c1)N 1P0026DH [1,1,0,0,0,0|0,1,1]=4 1617 B10R1.10 CNCc1cccc(c1)Br 1P003C82 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.10 CNCc1cccc(c1)Br 1P003TNA [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.10 CNCc1cccc(c1)C 1P003K89 [1,1,0,0,0,0|2,0,0]=4 1620 B10R1.10 CNCc1cccc(c1)C 1P028EM9 [1,1,0,0,0,0|2,0,0]=4 1621 B10R1.10 CNCc1cccc(c1)Cl 1P003JRN [1,1,0,0,0,0|2,0,0]=4 1622 B10R1.10 CNCc1cccc(c1)Cl 1P006R42 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.10 CNCc1cccc(c1)F 1P003C90 [1,1,0,0,0,0|2,0,0]=4 1624 B10R1.10 CNCc1cccc(c1)I 1P01RCKU [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.10 CNCc1cccc(c1)N 1P003JE0 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.10 CNCc1cccc(c1)O 1P000LPH [1,1,0,0,0,0|2,0,0]=4 1627 B10R1.10 COCc1cccc(c1)Br 1P001NU4 [1,1,0,0,0,0|2,0,0]=4 1628 B10R1.10 COCc1cccc(c1)C 1P01H9A5 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.10 COCc1cccc(c1)N 1P003IPB [1,1,0,0,0,0|2,0,0]=4 1630 B10R1.10 COCc1cccc(c1)O 1P00IANX [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.10 CSCc1cccc(c1)Br 1P00ID71 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.10 CSCc1cccc(c1)F 1P01DIBF [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.10 CSCc1cccc(c1)N 1P01AHLX [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.10 FCOc1cccc(c1)Br 1P0201BO [1,1,0,0,0,0|1,0,1]=4 1635 B10R1.10 FCOc1cccc(c1)I 1P0293OZ [1,1,0,0,0,0|1,0,1]=4 1636 B10R1.10 FCOc1cccc(c1)N 1P027WRY [1,1,0,0,0,0|1,0,1]=4 1637 B10R1.10 IC=Cc1cccc(c1)Br 1P01A59I [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.10 O=C=Nc1cccc(c1)Br 1P002MRU [1,1,0,0,0,0|1,0,1]=4 1639 B10R1.10 O=C=Nc1cccc(c1)C 1P003RY5 [1,1,0,0,0,0|1,0,1]=4 1640 B10R1.10 O=C=Nc1cccc(c1)Cl 1P003453 [1,1,0,0,0,0|1,0,1]=4 1641 B10R1.10 O=C=Nc1cccc(c1)F 1P003JY8 [1,1,0,0,0,0|1,0,1]=4 1642 B10R1.10 O=C=Nc1cccc(c1)I 1P002MRT [1,1,0,0,0,0|1,0,1]=4 1643 B10R1.10 O=CCc1cccc(c1)Br 1P008SJJ [1,1,0,0,0,0|1,0,0]=3 1644 B10R1.10 O=CCc1cccc(c1)C 1P005ZAB [1,1,0,0,0,0|1,0,0]=3 1645 B10R1.10 O=CCc1cccc(c1)Cl 1P00BZE9 [1,1,0,0,0,0|1,0,0]=3 1646 B10R1.10 O=CCc1cccc(c1)F 1P00G36B [1,1,0,0,0,0|1,0,0]=3 1647 B10R1.10 O=CNc1cccc(c1)N 1P00EI0L [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.10 O=CNc1cccc(c1)O 1P002Q8J [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.15 C=CC(=O)c1ccccc1 1P003A5I [1,1,0,0,0,0|1,0,1]=4 1650 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [1,1,0,0,0,0|1,0,1]=4 1651 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [1,1,0,0,0,0|1,0,1]=4 1652 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [1,1,0,0,0,0|1,0,1]=4 1653 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.15 C=CS(=O)c1ccccc1 1P0029ZV [1,1,0,0,0,0|0,1,1]=4 1655 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [1,1,0,0,0,0|1,0,0]=3 1659 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [1,1,0,0,0,0|1,0,1]=4 1660 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [1,1,0,0,0,0|1,0,1]=4 1661 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [1,1,0,0,0,0|1,0,1]=4 1662 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [1,1,0,0,0,0|1,0,1]=4 1663 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [1,1,0,0,0,0|1,0,1]=4 1664 B10R1.15 CCC(c1ccccc1)N 1P003F3H [1,1,0,0,0,0|1,0,1]=4 1665 B10R1.15 CCC(c1ccccc1)S 1P01A000 [1,1,0,0,0,0|1,0,1]=4 1666 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [1,1,0,0,0,0|1,0,1]=4 1667 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [1,1,0,0,0,0|1,0,1]=4 1668 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [1,1,0,0,0,0|1,0,1]=4 1669 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [1,1,0,0,0,0|1,0,1]=4 1670 B10R1.15 CNC(=N)c1ccccc1 1P01BBOA [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [1,1,0,0,0,0|2,0,0]=4 1672 B10R1.15 CNC(=S)c1ccccc1 1P00E16P [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [1,1,0,0,0,0|2,0,0]=4 1674 B10R1.15 CNC(c1ccccc1)C 1P00C63A [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [1,1,0,0,0,0|2,0,0]=4 1676 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [1,1,0,0,0,0|2,0,0]=4 1677 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [1,1,0,0,0,0|2,0,0]=4 1679 B10R1.15 COC(=N)c1ccccc1 1P003SG1 [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.15 COS(=O)c1ccccc1 1P0035P8 [1,1,0,0,0,0|1,1,0]=4 1682 B10R1.15 CSC(=S)c1ccccc1 1P007PX1 [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.15 O=CC(=O)c1ccccc1 1P0035XU [1,1,0,0,0,0|1,0,0]=3 1684 B10R1.15 O=CC(=O)c1ccccc1 1P0035XV [1,1,0,0,0,0|1,0,0]=3 1685 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [1,1,0,0,0,0|1,0,0]=3 1686 B10R1.15 O=CN(c1ccccc1)C 1P003TOE [1,1,0,0,0,0|1,0,0]=3 1687 B10R1.15 O=CN(c1ccccn1)C 1P003TOP [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.15 O=NN(c1ccccc1)C 1P003TPQ [1,1,0,0,0,0|2,0,0]=4 1689 B10R1.15 O=NN(c1ccccc1)[O-] 1P00IKYS [1,1,0,0,0,0|2,0,0]=4 1690 B10R1.15 O=NN(c1ccccc1)[O-] 1P01DQLH [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.17 BrCC#Cc1ccccc1 1P01FEYM [1,1,0,0,0,0|1,0,1]=4 1692 B10R1.17 BrCCCc1ccccc1 1P003EL3 [1,1,0,0,0,0|1,0,1]=4 1693 B10R1.17 BrCCOc1ccccc1 1P003IB5 [1,1,0,0,0,0|0,0,1]=3 1694 B10R1.17 BrCCOc1cccnc1 1P01AG87 [1,1,0,0,0,0|1,0,1]=4 1695 B10R1.17 BrCCSc1ccccc1 1P003H8K [1,1,0,0,0,0|0,1,1]=4 1696 B10R1.17 BrCOCc1ccccc1 1P0025GN [1,1,0,0,0,0|1,0,1]=4 1697 B10R1.17 BrC\C=C\c1ccccc1 1P003PDK [1,1,0,0,0,0|1,0,0]=3 1698 B10R1.17 C#CCOc1ccccc1 1P003U5X [1,1,0,0,0,0|0,0,2]=4 1699 B10R1.17 C=CCCc1ccccc1 1P003MFS [1,1,0,0,0,0|1,0,1]=4 1700 B10R1.17 C=CCNc1ccccc1 1P003T6A [1,1,0,0,0,0|1,0,1]=4 1701 B10R1.17 C=CCOc1ccccc1 1P00209R [1,1,0,0,0,0|0,0,1]=3 1702 B10R1.17 C=CCOc1cccnc1 1P00AUI6 [1,1,0,0,0,0|1,0,1]=4 1703 B10R1.17 C=CCSc1ccccc1 1P003O6K [1,1,0,0,0,0|0,1,1]=4 1704 B10R1.17 C=COCc1ccccc1 1P003AEJ [1,1,0,0,0,0|0,0,1]=3 1705 B10R1.17 C=C\C=C\c1ccccc1 1P003VC6 [1,1,0,0,0,0|1,0,1]=4 1706 B10R1.17 C=NOCc1ccccc1 1P027KVW [1,1,0,0,0,0|1,0,1]=4 1707 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [1,1,0,0,0,0|1,0,1]=4 1708 B10R1.17 CCCCc1ccccc1 1P003P2W [1,1,0,0,0,0|1,0,1]=4 1709 B10R1.17 CCCNc1ccccc1 1P003TSL [1,1,0,0,0,0|1,0,1]=4 1710 B10R1.17 CCCOc1ccccc1 1P00E98Z [1,1,0,0,0,0|0,0,1]=3 1711 B10R1.17 CCNCc1ccccc1 1P003TGS [1,1,0,0,0,0|1,0,1]=4 1712 B10R1.17 CNC=Nc1cccnc1 1P01EKJS [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.17 CNCCc1ccccc1 1P003TP4 [1,1,0,0,0,0|1,0,1]=4 1714 B10R1.17 CNCCc1ccccc1 1P00CJS7 [1,1,0,0,0,0|1,0,1]=4 1715 B10R1.17 CNNCc1ccccc1 1P007YMP [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.17 CNNCc1ccccc1 1P01EKFO [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.17 CNOCc1ccccc1 1P005PAZ [1,1,0,0,0,0|1,0,0]=3 1718 B10R1.17 CNOCc1ccccc1 1P01A29U [1,1,0,0,0,0|1,0,0]=3 1719 B10R1.17 COCCc1ccccc1 1P003C4E [1,1,0,0,0,0|1,0,1]=4 1720 B10R1.17 COCSc1ccccc1 1P0019FA [1,1,0,0,0,0|0,1,1]=4 1721 B10R1.17 CONCc1ccccc1 1P006Y6C [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.17 CONCc1ccccc1 1P01A5XA [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.17 ClCC#Cc1ccccc1 1P003C8O [1,1,0,0,0,0|1,0,1]=4 1724 B10R1.17 ClCC=Cc1ccccc1 1P00BCUF [1,1,0,0,0,0|1,0,0]=3 1725 B10R1.17 ClCCCc1ccccc1 1P003BI4 [1,1,0,0,0,0|1,0,1]=4 1726 B10R1.17 ClCCNc1ccccc1 1P01DXCM [1,1,0,0,0,0|1,0,1]=4 1727 B10R1.17 ClCCNc1ccccc1 1P0280C1 [1,1,0,0,0,0|1,0,1]=4 1728 B10R1.17 ClCCOc1ccccc1 1P00IBGC [1,1,0,0,0,0|0,0,1]=3 1729 B10R1.17 ClCCSc1ccccc1 1P003C3J [1,1,0,0,0,0|0,1,1]=4 1730 B10R1.17 ClCOCc1ccccc1 1P0034YY [1,1,0,0,0,0|1,0,1]=4 1731 B10R1.17 ClCSCc1ccccc1 1P003OKP [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.17 ClC\C=C\c1ccccc1 1P002LHG [1,1,0,0,0,0|1,0,0]=3 1733 B10R1.17 ICCCc1ccccc1 1P003EWA [1,1,0,0,0,0|1,0,1]=4 1734 B10R1.17 ICCOc1ccccc1 1P00C6JI [1,1,0,0,0,0|0,0,1]=3 1735 B10R1.17 N#CC=Cc1ccccc1 1P00D984 [1,1,0,0,0,0|1,0,1]=4 1736 B10R1.17 N#CCOc1ccccc1 1P003U55 [1,1,0,0,0,0|0,0,2]=4 1737 B10R1.17 N#C\C=C\c1ccccc1 1P002HEA [1,1,0,0,0,0|1,0,1]=4 1738 B10R1.17 NCC#Cc1ccccc1 1P003KC2 [1,1,0,0,0,0|1,0,1]=4 1739 B10R1.17 NCC=Cc1ccccn1 1P028BLD [1,1,0,0,0,0|2,0,0]=4 1740 B10R1.17 NCC=Cc1cccnc1 1P01BC7Z [1,1,0,0,0,0|2,0,0]=4 1741 B10R1.17 NCCCc1ccccc1 1P0029L7 [1,1,0,0,0,0|1,0,1]=4 1742 B10R1.17 NCCNc1ccccc1 1P001X6L [1,1,0,0,0,0|1,0,1]=4 1743 B10R1.17 NCCOc1ccccc1 1P0021OC [1,1,0,0,0,0|0,0,1]=3 1744 B10R1.17 NCCOc1ccccc1 1P0027L1 [1,1,0,0,0,0|0,0,1]=3 1745 B10R1.17 NCCOc1ccccn1 1P002YW0 [1,1,0,0,0,0|1,0,1]=4 1746 B10R1.17 NCCOc1ccccn1 1P027ZNS [1,1,0,0,0,0|1,0,1]=4 1747 B10R1.17 NCCOc1cccnc1 1P0032JP [1,1,0,0,0,0|1,0,1]=4 1748 B10R1.17 NCCOc1ccncc1 1P00DK84 [1,1,0,0,0,0|1,0,1]=4 1749 B10R1.17 NCCSc1ccccc1 1P002DUS [1,1,0,0,0,0|0,1,1]=4 1750 B10R1.17 NCCSc1ccccc1 1P00J3FE [1,1,0,0,0,0|0,1,1]=4 1751 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [1,1,0,0,0,0|1,0,0]=3 1752 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [1,1,0,0,0,0|1,0,1]=4 1753 B10R1.17 O=CC#Cc1ccccc1 1P003U6O [1,1,0,0,0,0|1,0,0]=3 1754 B10R1.17 O=CC=Cc1ccccc1 1P00HAPU [1,1,0,0,0,0|1,0,0]=3 1755 B10R1.17 O=CC=Cc1ccncc1 1P01ADG3 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.17 O=CCCc1ccccc1 1P003RFA [1,1,0,0,0,0|1,0,0]=3 1757 B10R1.17 O=CCCc1ccccn1 1P00BGWO [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.17 O=CCCc1cccnc1 1P00228Y [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.17 O=CCCc1ccncc1 1P0075XB [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.17 O=CCOc1ccccc1 1P007P8S [1,1,0,0,0,0|0,0,0]=2 1761 B10R1.17 O=CCOc1ccccn1 1P01C7JG [1,1,0,0,0,0|1,0,0]=3 1762 B10R1.17 O=CNCc1ccccc1 1P003T8E [1,1,0,0,0,0|1,0,0]=3 1763 B10R1.17 O=CNNc1ccccc1 1P00IBGB [1,1,0,0,0,0|1,0,0]=3 1764 B10R1.17 O=COCc1ccccc1 1P008RMC [1,1,0,0,0,0|0,0,0]=2 1765 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [1,1,0,0,0,0|1,0,0]=3 1766 B10R1.17 O=C\C=C\c1ccccc1 1P001IPM [1,1,0,0,0,0|1,0,0]=3 1767 B10R1.17 O=C\C=C\c1ccccn1 1P01A264 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.17 O=C\C=C\c1cccnc1 1P003VDM [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.17 OCC#Cc1ccccc1 1P001N1G [1,1,0,0,0,0|1,0,1]=4 1770 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [1,1,0,0,0,0|1,0,0]=3 1771 B10R1.17 OCC=Cc1ccccn1 1P000ZYV [1,1,0,0,0,0|2,0,0]=4 1772 B10R1.17 OCCCc1ccccc1 1P00170B [1,1,0,0,0,0|1,0,1]=4 1773 B10R1.17 OCCNc1ccccc1 1P00170A [1,1,0,0,0,0|1,0,1]=4 1774 B10R1.17 OCCOc1ccccc1 1P0033W0 [1,1,0,0,0,0|0,0,1]=3 1775 B10R1.17 OCCOc1cccnc1 1P000QDL [1,1,0,0,0,0|1,0,1]=4 1776 B10R1.17 OCCSc1ccccc1 1P003FKS [1,1,0,0,0,0|0,1,1]=4 1777 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [1,1,0,0,0,0|1,0,0]=3 1778 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [1,1,0,0,0,0|1,0,0]=3 1779 B10R1.17 OC\C=C\c1cccnc1 1P009991 [1,1,0,0,0,0|2,0,0]=4 1780 B10R1.17 OC\C=C\c1ccncc1 1P00BBQ8 [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.17 SCCCc1ccccc1 1P002PQQ [1,1,0,0,0,0|1,0,1]=4 1782 B10R1.17 SCCOc1ccccc1 1P0037FU [1,1,0,0,0,0|0,0,1]=3 1783 B10R1.17 SCCSc1ccccc1 1P00ALQK [1,1,0,0,0,0|0,1,1]=4 1784 B10R1.13 Brc1ccc(cc1)C(Br)C 1P00BJF5 [0,1,0,0,1,0|1,0,1]=4 1785 B10R1.13 Brc1ccc(cc1)N(=O)=O 1P0034L5 [0,1,0,0,1,0|2,0,0]=4 1786 B10R1.13 Brc1ccc(cc1)S(=O)C 1P006325 [0,1,0,0,1,0|1,0,0]=3 1787 B10R1.13 Brc1ccc(cc1)S(=O)O 1P000JDB [0,1,0,0,1,0|2,0,0]=4 1788 B10R1.13 Brc1ccc(cc1)S(=O)[O-] 1P0021BJ [0,1,0,0,1,0|2,0,0]=4 1789 B10R1.13 Brc1ccc(cc1)S(=O)[O-] 1P01BEXB [0,1,0,0,1,0|2,0,0]=4 1790 B10R1.13 Brc1ccc(cn1)C(=C)C 1P01CAUD [0,1,0,0,1,0|2,0,0]=4 1791 B10R1.13 Brc1ccc(cn1)C(=O)C 1P001AJL [0,1,0,0,1,0|1,0,0]=3 1792 B10R1.13 Brc1ccc(cn1)C(=O)N 1P0089SG [0,1,0,0,1,0|2,0,0]=4 1793 B10R1.13 Brc1ccc(cn1)C(=O)O 1P003NLL [0,1,0,0,1,0|2,0,0]=4 1794 B10R1.13 Brc1ccc(nc1)C(=O)C 1P0033JA [0,1,0,0,1,0|1,0,0]=3 1795 B10R1.13 Brc1ccc(nc1)C(=O)C 1P01BH9H [0,1,0,0,1,0|1,0,0]=3 1796 B10R1.13 Brc1ccc(nc1)C(=O)Cl 1P0013CR [0,1,0,0,1,0|2,0,0]=4 1797 B10R1.13 Brc1ccc(nc1)C(=O)N 1P00GTTW [0,1,0,0,1,0|2,0,0]=4 1798 B10R1.13 Brc1ccc(nc1)C(=O)O 1P0031O7 [0,1,0,0,1,0|2,0,0]=4 1799 B10R1.13 CC(=C)c1ccc(cc1)Br 1P01DFHT [0,1,0,0,1,0|1,0,0]=3 1800 B10R1.13 CC(=C)c1ccc(cc1)Cl 1P003LMX [0,1,0,0,1,0|1,0,0]=3 1801 B10R1.13 CC(=C)c1ccc(cc1)F 1P003ESP [0,1,0,0,1,0|1,0,0]=3 1802 B10R1.13 CC(=C)c1ccc(cc1)I 1P01DFI7 [0,1,0,0,1,0|1,0,0]=3 1803 B10R1.13 CC(=C)c1ccc(cc1)O 1P003U4X [0,1,0,0,1,0|1,0,0]=3 1804 B10R1.13 CC(=O)c1c[nH]c(=O)cn1 1P000HQ8 [0,1,0,0,1,0|2,0,0]=4 1805 B10R1.13 CC(=O)c1cc[n+](cc1)[O-] 1P00BCEM [0,1,0,0,1,0|1,0,0]=3 1806 B10R1.13 CC(=O)c1ccc(cc1)Br 1P0034EQ [0,1,0,0,1,0|0,0,0]=2 1807 B10R1.13 CC(=O)c1ccc(cc1)Cl 1P0034GF [0,1,0,0,1,0|0,0,0]=2 1808 B10R1.13 CC(=O)c1ccc(cc1)F 1P0034HV [0,1,0,0,1,0|0,0,0]=2 1809 B10R1.13 CC(=O)c1ccc(cc1)I 1P00150G [0,1,0,0,1,0|0,0,0]=2 1810 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7C [0,1,0,0,1,0|0,0,0]=2 1811 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7D [0,1,0,0,1,0|0,0,0]=2 1812 B10R1.13 CC(=O)c1ccc(cc1)O 1P0034IP [0,1,0,0,1,0|0,0,0]=2 1813 B10R1.13 CC(=O)c1ccc(cc1)S 1P00CAPQ [0,1,0,0,1,0|0,0,0]=2 1814 B10R1.13 CC(=O)c1ccc(nn1)Cl 1P0039CR [0,1,0,0,1,0|2,0,0]=4 1815 B10R1.13 CC(=O)c1ccc(nn1)O 1P01DU6D [0,1,0,0,1,0|2,0,0]=4 1816 B10R1.13 CC(=O)c1cnc(cn1)Cl 1P001S9V [0,1,0,0,1,0|2,0,0]=4 1817 B10R1.13 CC(=O)c1cnc(nc1)Cl 1P008UTP [0,1,0,0,1,0|2,0,0]=4 1818 B10R1.13 CC(=O)c1cnc(nc1)N 1P000MJ6 [0,1,0,0,1,0|2,0,0]=4 1819 B10R1.13 CC(=O)c1ncc(cn1)Br 1P0032ZI [0,1,0,0,1,0|2,0,0]=4 1820 B10R1.13 CC(=O)c1ncc(cn1)Cl 1P01DZIC [0,1,0,0,1,0|2,0,0]=4 1821 B10R1.13 CC(=O)c1ncc(cn1)F 1P003DI8 [0,1,0,0,1,0|2,0,0]=4 1822 B10R1.13 CC(=O)c1ncc(cn1)O 1P028VOX [0,1,0,0,1,0|2,0,0]=4 1823 B10R1.13 CC(c1ccc(cc1)Br)C 1P003LGJ [0,1,0,0,1,0|1,0,1]=4 1824 B10R1.13 CC(c1ccc(cc1)Br)Cl 1P019ZE7 [0,1,0,0,1,0|1,0,1]=4 1825 B10R1.13 CC(c1ccc(cc1)Br)F 1P001R1P [0,1,0,0,1,0|1,0,1]=4 1826 B10R1.13 CC(c1ccc(cc1)Br)N 1P006WO1 [0,1,0,0,1,0|1,0,1]=4 1827 B10R1.13 CC(c1ccc(cc1)Br)N 1P00IGF4 [0,1,0,0,1,0|1,0,1]=4 1828 B10R1.13 CC(c1ccc(cc1)Br)O 1P003DF9 [0,1,0,0,1,0|0,0,2]=4 1829 B10R1.13 CC(c1ccc(cc1)Cl)Br 1P001FUU [0,1,0,0,1,0|1,0,1]=4 1830 B10R1.13 CC(c1ccc(cc1)Cl)C 1P002SQZ [0,1,0,0,1,0|1,0,1]=4 1831 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00DL24 [0,1,0,0,1,0|1,0,1]=4 1832 B10R1.13 CC(c1ccc(cc1)Cl)N 1P00EAR0 [0,1,0,0,1,0|1,0,1]=4 1833 B10R1.13 CC(c1ccc(cc1)Cl)O 1P003DFQ [0,1,0,0,1,0|0,0,2]=4 1834 B10R1.13 CC(c1ccc(cc1)Cl)S 1P01A82Y [0,1,0,0,1,0|0,1,1]=4 1835 B10R1.13 CC(c1ccc(cc1)F)Br 1P00EC6O [0,1,0,0,1,0|1,0,1]=4 1836 B10R1.13 CC(c1ccc(cc1)F)C 1P003ESU [0,1,0,0,1,0|1,0,1]=4 1837 B10R1.13 CC(c1ccc(cc1)F)Cl 1P00DQWN [0,1,0,0,1,0|1,0,1]=4 1838 B10R1.13 CC(c1ccc(cc1)F)N 1P003DGB [0,1,0,0,1,0|1,0,1]=4 1839 B10R1.13 CC(c1ccc(cc1)F)N 1P00CMBL [0,1,0,0,1,0|1,0,1]=4 1840 B10R1.13 CC(c1ccc(cc1)F)O 1P003DGC [0,1,0,0,1,0|0,0,2]=4 1841 B10R1.13 CC(c1ccc(cc1)F)S 1P01A82X [0,1,0,0,1,0|0,1,1]=4 1842 B10R1.13 CC(c1ccc(cc1)I)Br 1P0283HF [0,1,0,0,1,0|1,0,1]=4 1843 B10R1.13 CC(c1ccc(cc1)I)C 1P001ZHJ [0,1,0,0,1,0|1,0,1]=4 1844 B10R1.13 CC(c1ccc(cc1)I)N 1P006KJJ [0,1,0,0,1,0|1,0,1]=4 1845 B10R1.13 CC(c1ccc(cc1)I)O 1P00DZFM [0,1,0,0,1,0|0,0,2]=4 1846 B10R1.13 CC(c1ccc(cc1)N)C 1P0034JO [0,1,0,0,1,0|1,0,1]=4 1847 B10R1.13 CC(c1ccc(cc1)N)O 1P001DTE [0,1,0,0,1,0|0,0,2]=4 1848 B10R1.13 CC(c1ccc(cc1)O)C 1P0034JR [0,1,0,0,1,0|1,0,1]=4 1849 B10R1.13 CC(c1ccc(cc1)O)N 1P009BNU [0,1,0,0,1,0|1,0,1]=4 1850 B10R1.13 CC(c1ccc(cc1)O)N 1P00J27B [0,1,0,0,1,0|1,0,1]=4 1851 B10R1.13 CC(c1ccc(cc1)S)C 1P003CCT [0,1,0,0,1,0|1,0,1]=4 1852 B10R1.13 CC(c1ccc(cc1)S)O 1P01BD1Q [0,1,0,0,1,0|0,0,2]=4 1853 B10R1.13 CN(c1ccc(cc1)Br)C 1P0034F8 [0,1,0,0,1,0|2,0,0]=4 1854 B10R1.13 CN(c1ccc(cc1)Cl)C 1P003LO8 [0,1,0,0,1,0|2,0,0]=4 1855 B10R1.13 CN(c1ccc(cc1)F)C 1P003LW9 [0,1,0,0,1,0|2,0,0]=4 1856 B10R1.13 CN(c1ccc(cc1)I)C 1P005HRP [0,1,0,0,1,0|2,0,0]=4 1857 B10R1.13 CN(c1ccc(cc1)N)C 1P002AEI [0,1,0,0,1,0|2,0,0]=4 1858 B10R1.13 CN(c1ccc(cc1)N)C 1P0035S8 [0,1,0,0,1,0|2,0,0]=4 1859 B10R1.13 CN(c1ccc(cc1)N)C 1P00DEKZ [0,1,0,0,1,0|2,0,0]=4 1860 B10R1.13 CN(c1ccc(cc1)N)C 1P00DET0 [0,1,0,0,1,0|2,0,0]=4 1861 B10R1.13 CN(c1ccc(cc1)N)C 1P00ILYW [0,1,0,0,1,0|2,0,0]=4 1862 B10R1.13 CN(c1ccc(cc1)O)C 1P00IAX4 [0,1,0,0,1,0|2,0,0]=4 1863 B10R1.13 CN(c1ccc(cc1)O)C 1P00IBEJ [0,1,0,0,1,0|2,0,0]=4 1864 B10R1.13 CN(c1ccc(cc1)S)C 1P003KOP [0,1,0,0,1,0|2,0,0]=4 1865 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P0038KT [0,1,0,0,1,0|1,0,1]=4 1866 B10R1.13 C[C@@H](c1ccc(cc1)Br)N 1P00G42K [0,1,0,0,1,0|1,0,1]=4 1867 B10R1.13 C[C@@H](c1ccc(cc1)Br)O 1P0003B7 [0,1,0,0,1,0|0,0,2]=4 1868 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P003CZG [0,1,0,0,1,0|1,0,1]=4 1869 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N 1P00EJGP [0,1,0,0,1,0|1,0,1]=4 1870 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O 1P003D38 [0,1,0,0,1,0|0,0,2]=4 1871 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P003CTR [0,1,0,0,1,0|1,0,1]=4 1872 B10R1.13 C[C@@H](c1ccc(cc1)F)N 1P009CLZ [0,1,0,0,1,0|1,0,1]=4 1873 B10R1.13 C[C@@H](c1ccc(cc1)F)O 1P0004GE [0,1,0,0,1,0|0,0,2]=4 1874 B10R1.13 C[C@@H](c1ccc(cc1)I)N 1P00HSQG [0,1,0,0,1,0|1,0,1]=4 1875 B10R1.13 C[C@@H](c1ccc(cc1)I)O 1P01AH65 [0,1,0,0,1,0|0,0,2]=4 1876 B10R1.13 C[C@@H](c1ccc(cc1)N)O 1P01A474 [0,1,0,0,1,0|0,0,2]=4 1877 B10R1.13 C[C@@H](c1ccc(cc1)O)N 1P01X08H [0,1,0,0,1,0|1,0,1]=4 1878 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CL3 [0,1,0,0,1,0|1,0,1]=4 1879 B10R1.13 C[C@H](c1ccc(cc1)Br)N 1P003CNO [0,1,0,0,1,0|1,0,1]=4 1880 B10R1.13 C[C@H](c1ccc(cc1)Br)O 1P003CQX [0,1,0,0,1,0|0,0,2]=4 1881 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P000DML [0,1,0,0,1,0|1,0,1]=4 1882 B10R1.13 C[C@H](c1ccc(cc1)Cl)N 1P003CNP [0,1,0,0,1,0|1,0,1]=4 1883 B10R1.13 C[C@H](c1ccc(cc1)Cl)O 1P003CQY [0,1,0,0,1,0|0,0,2]=4 1884 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P003CNQ [0,1,0,0,1,0|1,0,1]=4 1885 B10R1.13 C[C@H](c1ccc(cc1)F)N 1P00C70Z [0,1,0,0,1,0|1,0,1]=4 1886 B10R1.13 C[C@H](c1ccc(cc1)F)O 1P0004GH [0,1,0,0,1,0|0,0,2]=4 1887 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P000N1E [0,1,0,0,1,0|1,0,1]=4 1888 B10R1.13 C[C@H](c1ccc(cc1)I)N 1P001MR0 [0,1,0,0,1,0|1,0,1]=4 1889 B10R1.13 C[C@H](c1ccc(cc1)I)O 1P01AAE3 [0,1,0,0,1,0|0,0,2]=4 1890 B10R1.13 C[C@H](c1ccc(cc1)N)O 1P01A4RA [0,1,0,0,1,0|0,0,2]=4 1891 B10R1.13 C[C@H](c1ccc(cc1)O)N 1P01DUO1 [0,1,0,0,1,0|1,0,1]=4 1892 B10R1.13 Cc1ccc(cc1)C(=O)C 1P0034KH [0,1,0,0,1,0|0,0,0]=2 1893 B10R1.13 Cc1ccc(cc1)C(Br)C 1P00VUTW [0,1,0,0,1,0|1,0,1]=4 1894 B10R1.13 Cc1ccc(cc1)C(C)C 1P003564 [0,1,0,0,1,0|1,0,1]=4 1895 B10R1.13 Cc1ccc(cc1)C(C)C 1P00IKVY [0,1,0,0,1,0|1,0,1]=4 1896 B10R1.13 Cc1ccc(cc1)C(Cl)C 1P028YLR [0,1,0,0,1,0|1,0,1]=4 1897 B10R1.13 Cc1ccc(cc1)C(N)C 1P0032ZG [0,1,0,0,1,0|1,0,1]=4 1898 B10R1.13 Cc1ccc(cc1)C(O)C 1P003DHB [0,1,0,0,1,0|0,0,2]=4 1899 B10R1.13 Cc1ccc(cc1)N(C)C 1P003SWY [0,1,0,0,1,0|2,0,0]=4 1900 B10R1.13 Cc1ccc(cc1)S(=O)C 1P003EYO [0,1,0,0,1,0|1,0,0]=3 1901 B10R1.13 Cc1ccc(cc1)S(=O)Cl 1P008Z3I [0,1,0,0,1,0|2,0,0]=4 1902 B10R1.13 Cc1ccc(cc1)S(=O)N 1P0034KI [0,1,0,0,1,0|2,0,0]=4 1903 B10R1.13 Cc1ccc(cc1)S(=O)O 1P001REW [0,1,0,0,1,0|2,0,0]=4 1904 B10R1.13 Cc1ccc(cc1)S(=O)O 1P00IA0Y [0,1,0,0,1,0|2,0,0]=4 1905 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P001YJL [0,1,0,0,1,0|2,0,0]=4 1906 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P002JRA [0,1,0,0,1,0|2,0,0]=4 1907 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P00362L [0,1,0,0,1,0|2,0,0]=4 1908 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P003UUH [0,1,0,0,1,0|2,0,0]=4 1909 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P00FCR3 [0,1,0,0,1,0|2,0,0]=4 1910 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P003CTT [0,1,0,0,1,0|1,0,1]=4 1911 B10R1.13 Cc1ccc(cc1)[C@@H](N)C 1P00G7UO [0,1,0,0,1,0|1,0,1]=4 1912 B10R1.13 Cc1ccc(cc1)[C@@H](O)C 1P00DA1A [0,1,0,0,1,0|0,0,2]=4 1913 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P0032V0 [0,1,0,0,1,0|1,0,1]=4 1914 B10R1.13 Cc1ccc(cc1)[C@H](N)C 1P00CJ86 [0,1,0,0,1,0|1,0,1]=4 1915 B10R1.13 Cc1ccc(cc1)[C@H](O)C 1P00C0M3 [0,1,0,0,1,0|0,0,2]=4 1916 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] 1P0036PU [0,1,0,0,1,0|2,0,0]=4 1917 B10R1.13 Cc1ccc(cc1)[S@@](=O)C 1P003CVR [0,1,0,0,1,0|1,0,0]=3 1918 B10R1.13 Cc1ccc(cc1)[S@@](=O)N 1P002PL9 [0,1,0,0,1,0|2,0,0]=4 1919 B10R1.13 Cc1ccc(cc1)[S@](=O)C 1P003CMM [0,1,0,0,1,0|1,0,0]=3 1920 B10R1.13 Cc1ccc(cc1)[S@](=O)N 1P002HDM [0,1,0,0,1,0|2,0,0]=4 1921 B10R1.13 Cc1ccc(cn1)C(=O)C 1P007AKR [0,1,0,0,1,0|1,0,0]=3 1922 B10R1.13 Cc1ccc(cn1)C(=O)N 1P005KIX [0,1,0,0,1,0|2,0,0]=4 1923 B10R1.13 Cc1ccc(cn1)C(=O)O 1P007HIP [0,1,0,0,1,0|2,0,0]=4 1924 B10R1.13 Cc1ccc(nc1)C(=O)C 1P003GRQ [0,1,0,0,1,0|1,0,0]=3 1925 B10R1.13 Cc1ccc(nc1)C(=O)C 1P00J2IE [0,1,0,0,1,0|1,0,0]=3 1926 B10R1.13 Cc1ccc(nc1)C(=O)N 1P00C4PA [0,1,0,0,1,0|2,0,0]=4 1927 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0025QJ [0,1,0,0,1,0|2,0,0]=4 1928 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0038BJ [0,1,0,0,1,0|2,0,0]=4 1929 B10R1.13 Cc1ccc(nn1)C(=O)C 1P00IH7X [0,1,0,0,1,0|2,0,0]=4 1930 B10R1.13 Cc1cnc(cn1)C(=O)C 1P0038N6 [0,1,0,0,1,0|2,0,0]=4 1931 B10R1.13 Cc1cnc(nc1)C(=O)C 1P009B33 [0,1,0,0,1,0|2,0,0]=4 1932 B10R1.13 Cc1ncc(cn1)C(=O)C 1P0017TZ [0,1,0,0,1,0|2,0,0]=4 1933 B10R1.13 ClC(=C)c1ccc(cc1)Br 1P01DWVX [0,1,0,0,1,0|1,0,1]=4 1934 B10R1.13 ClC(=O)c1ccc(cc1)Br 1P00IAVO [0,1,0,0,1,0|1,0,0]=3 1935 B10R1.13 ClC(=O)c1ccc(cc1)C 1P003606 [0,1,0,0,1,0|1,0,0]=3 1936 B10R1.13 ClC(=O)c1ccc(cc1)F 1P003LVT [0,1,0,0,1,0|1,0,0]=3 1937 B10R1.13 ClC(=O)c1ccc(cc1)I 1P007UPD [0,1,0,0,1,0|1,0,0]=3 1938 B10R1.13 Clc1ccc(cc1)C(=O)Cl 1P003LNG [0,1,0,0,1,0|1,0,0]=3 1939 B10R1.13 Clc1ccc(cc1)C(Cl)C 1P019YRQ [0,1,0,0,1,0|1,0,1]=4 1940 B10R1.13 Clc1ccc(cc1)S(=O)C 1P00GS94 [0,1,0,0,1,0|1,0,0]=3 1941 B10R1.13 Clc1ccc(cc1)S(=O)[O-] 1P001FFH [0,1,0,0,1,0|2,0,0]=4 1942 B10R1.13 Clc1ccc(cc1)[N+](=O)[O-] 1P0000MR [0,1,0,0,1,0|2,0,0]=4 1943 B10R1.13 Clc1ccc(cn1)C(=C)C 1P00FCW7 [0,1,0,0,1,0|2,0,0]=4 1944 B10R1.13 Clc1ccc(cn1)C(=O)C 1P0033OV [0,1,0,0,1,0|1,0,0]=3 1945 B10R1.13 Clc1ccc(cn1)C(=O)Cl 1P00IAWT [0,1,0,0,1,0|2,0,0]=4 1946 B10R1.13 Clc1ccc(cn1)C(=O)N 1P003NNG [0,1,0,0,1,0|2,0,0]=4 1947 B10R1.13 Clc1ccc(cn1)C(=O)O 1P003NNH [0,1,0,0,1,0|2,0,0]=4 1948 B10R1.13 Clc1ccc(cn1)S(=O)C 1P0288RX [0,1,0,0,1,0|2,0,0]=4 1949 B10R1.13 Clc1ccc(nc1)C(=O)C 1P006R8V [0,1,0,0,1,0|1,0,0]=3 1950 B10R1.13 Clc1ccc(nc1)C(=O)Cl 1P000Y7Z [0,1,0,0,1,0|2,0,0]=4 1951 B10R1.13 Clc1ccc(nc1)C(=O)N 1P00CB78 [0,1,0,0,1,0|2,0,0]=4 1952 B10R1.13 Clc1ccc(nc1)C(=O)O 1P003N5J [0,1,0,0,1,0|2,0,0]=4 1953 B10R1.13 FC(=C)c1ccc(cc1)Br 1P01DWIQ [0,1,0,0,1,0|1,0,1]=4 1954 B10R1.13 FC(=O)c1ccc(cc1)Br 1P005U0R [0,1,0,0,1,0|1,0,0]=3 1955 B10R1.13 FC(=O)c1ccc(cc1)I 1P0222K3 [0,1,0,0,1,0|1,0,0]=3 1956 B10R1.13 Fc1ccc(cc1)C(=O)F 1P024VDD [0,1,0,0,1,0|1,0,0]=3 1957 B10R1.13 Fc1ccc(cc1)N(=O)=O 1P0034I4 [0,1,0,0,1,0|2,0,0]=4 1958 B10R1.13 Fc1ccc(cc1)S(=O)C 1P00FD2V [0,1,0,0,1,0|1,0,0]=3 1959 B10R1.13 Fc1ccc(cc1)S(=O)[O-] 1P00G2X2 [0,1,0,0,1,0|2,0,0]=4 1960 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] 1P0026NP [0,1,0,0,1,0|2,0,0]=4 1961 B10R1.13 Fc1ccc(cn1)C(=O)C 1P004Y7M [0,1,0,0,1,0|1,0,0]=3 1962 B10R1.13 Fc1ccc(cn1)C(=O)Cl 1P00EAWJ [0,1,0,0,1,0|2,0,0]=4 1963 B10R1.13 Fc1ccc(cn1)C(=O)F 1P01OHCH [0,1,0,0,1,0|2,0,0]=4 1964 B10R1.13 Fc1ccc(cn1)C(=O)N 1P00CZQN [0,1,0,0,1,0|2,0,0]=4 1965 B10R1.13 Fc1ccc(cn1)C(=O)O 1P003NOK [0,1,0,0,1,0|2,0,0]=4 1966 B10R1.13 Fc1ccc(nc1)C(=O)C 1P00GSNJ [0,1,0,0,1,0|1,0,0]=3 1967 B10R1.13 Fc1ccc(nc1)C(=O)C 1P028O6Q [0,1,0,0,1,0|1,0,0]=3 1968 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P00FI5J [0,1,0,0,1,0|2,0,0]=4 1969 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P01C0I6 [0,1,0,0,1,0|2,0,0]=4 1970 B10R1.13 Fc1ccc(nc1)C(=O)N 1P00DIFZ [0,1,0,0,1,0|2,0,0]=4 1971 B10R1.13 Fc1ccc(nc1)C(=O)O 1P0034QI [0,1,0,0,1,0|2,0,0]=4 1972 B10R1.13 Fc1ccc(nc1)C(=O)O 1P01A6GL [0,1,0,0,1,0|2,0,0]=4 1973 B10R1.13 Ic1ccc(cc1)[N+](=O)[O-] 1P00391K [0,1,0,0,1,0|2,0,0]=4 1974 B10R1.13 Ic1ccc(cn1)C(=O)O 1P000V2T [0,1,0,0,1,0|2,0,0]=4 1975 B10R1.13 Ic1ccc(nc1)C(=O)O 1P00C9PY [0,1,0,0,1,0|2,0,0]=4 1976 B10R1.13 NC(=N)c1ccc(cc1)Br 1P0034ES [0,1,0,0,1,0|2,0,0]=4 1977 B10R1.13 NC(=N)c1ccc(cc1)Br 1P006ZLZ [0,1,0,0,1,0|2,0,0]=4 1978 B10R1.13 NC(=N)c1ccc(cc1)C 1P00IBNC [0,1,0,0,1,0|2,0,0]=4 1979 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P001J9E [0,1,0,0,1,0|2,0,0]=4 1980 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P00AP7K [0,1,0,0,1,0|2,0,0]=4 1981 B10R1.13 NC(=N)c1ccc(cc1)F 1P002NJF [0,1,0,0,1,0|2,0,0]=4 1982 B10R1.13 NC(=N)c1ccc(cc1)F 1P00I8ZO [0,1,0,0,1,0|2,0,0]=4 1983 B10R1.13 NC(=N)c1ccc(cc1)I 1P009GFR [0,1,0,0,1,0|2,0,0]=4 1984 B10R1.13 NC(=N)c1ccc(cc1)O 1P0034IQ [0,1,0,0,1,0|2,0,0]=4 1985 B10R1.13 NC(=O)c1cc[n+](cc1)[O-] 1P0079PZ [0,1,0,0,1,0|2,0,0]=4 1986 B10R1.13 NC(=O)c1ccc(cc1)Br 1P00FARZ [0,1,0,0,1,0|1,0,0]=3 1987 B10R1.13 NC(=O)c1ccc(cc1)C 1P003UHI [0,1,0,0,1,0|1,0,0]=3 1988 B10R1.13 NC(=O)c1ccc(cc1)Cl 1P00IBEI [0,1,0,0,1,0|1,0,0]=3 1989 B10R1.13 NC(=O)c1ccc(cc1)F 1P003LVJ [0,1,0,0,1,0|1,0,0]=3 1990 B10R1.13 NC(=O)c1ccc(cc1)I 1P003M19 [0,1,0,0,1,0|1,0,0]=3 1991 B10R1.13 NC(=O)c1ccc(cc1)O 1P0018KP [0,1,0,0,1,0|1,0,0]=3 1992 B10R1.13 NC(=O)c1ccc(cc1)O 1P003LZM [0,1,0,0,1,0|1,0,0]=3 1993 B10R1.13 NC(=O)c1ccc(cc1)S 1P01DWZC [0,1,0,0,1,0|1,0,0]=3 1994 B10R1.13 NC(=S)c1ccc(cc1)Br 1P002SP4 [0,1,0,0,1,0|1,1,0]=4 1995 B10R1.13 NC(=S)c1ccc(cc1)C 1P002OEQ [0,1,0,0,1,0|1,1,0]=4 1996 B10R1.13 NC(=S)c1ccc(cc1)Cl 1P002REP [0,1,0,0,1,0|1,1,0]=4 1997 B10R1.13 NC(=S)c1ccc(cc1)F 1P00709Q [0,1,0,0,1,0|1,1,0]=4 1998 B10R1.13 NC(=S)c1ccc(cc1)O 1P003M0N [0,1,0,0,1,0|1,1,0]=4 1999 B10R1.13 N[13c]1[13cH][13cH][13c]([13cH][13cH]1)[N+](=O)[O-] 1P0201H6 [0,1,0,0,1,0|2,0,0]=4 2000 B10R1.13 Nc1ccc(cc1)C(=N)N 1P002QJF [0,1,0,0,1,0|2,0,0]=4 2001 B10R1.13 Nc1ccc(cc1)C(=N)N 1P005T2T [0,1,0,0,1,0|2,0,0]=4 2002 B10R1.13 Nc1ccc(cc1)C(=O)N 1P003L7G [0,1,0,0,1,0|1,0,0]=3 2003 B10R1.13 Nc1ccc(cc1)C(=S)N 1P003L8W [0,1,0,0,1,0|1,1,0]=4 2004 B10R1.13 Nc1ccc(cc1)C(N)C 1P00GVQT [0,1,0,0,1,0|1,0,1]=4 2005 B10R1.13 Nc1ccc(cc1)S(=O)C 1P00BI2O [0,1,0,0,1,0|1,0,0]=3 2006 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00BH2Y [0,1,0,0,1,0|1,0,1]=4 2007 B10R1.13 Nc1ccc(cc1)[C@@H](N)C 1P00FEPL [0,1,0,0,1,0|1,0,1]=4 2008 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P000WVW [0,1,0,0,1,0|1,0,1]=4 2009 B10R1.13 Nc1ccc(cc1)[C@H](N)C 1P00FCWH [0,1,0,0,1,0|1,0,1]=4 2010 B10R1.13 Nc1ccc(cc1)[N+](=O)[O-] 1P001RAJ [0,1,0,0,1,0|2,0,0]=4 2011 B10R1.13 Nc1ccc(cc1)[N+](=O)[O-] 1P0034KZ [0,1,0,0,1,0|2,0,0]=4 2012 B10R1.13 Nc1ccc(cn1)C(=O)C 1P002BVW [0,1,0,0,1,0|1,0,0]=3 2013 B10R1.13 Nc1ccc(cn1)C(=O)N 1P003NJJ [0,1,0,0,1,0|2,0,0]=4 2014 B10R1.13 Nc1ccc(cn1)C(=O)O 1P003NJP [0,1,0,0,1,0|2,0,0]=4 2015 B10R1.13 Nc1ccc(cn1)S(=O)C 1P01ANSF [0,1,0,0,1,0|2,0,0]=4 2016 B10R1.13 Nc1ccc(nc1)C(=O)C 1P00DIDZ [0,1,0,0,1,0|1,0,0]=3 2017 B10R1.13 Nc1ccc(nc1)C(=O)N 1P001L6V [0,1,0,0,1,0|2,0,0]=4 2018 B10R1.13 Nc1ccc(nc1)C(=O)O 1P0034NI [0,1,0,0,1,0|2,0,0]=4 2019 B10R1.13 Nc1ccc(nc1)C(=O)O 1P005NVH [0,1,0,0,1,0|2,0,0]=4 2020 B10R1.13 O=[S-](=O)c1ccc(cc1)C 1P00E5RU [0,1,0,0,1,0|2,0,0]=4 2021 B10R1.13 O=c1ccc(co1)C(=O)O 1P006X98 [0,1,0,0,1,0|2,0,0]=4 2022 B10R1.13 OC(=O)c1cc[n+](cc1)[O-] 1P003UJ9 [0,1,0,0,1,0|2,0,0]=4 2023 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 1P003NPH [0,1,0,0,1,0|2,0,0]=4 2024 B10R1.13 OC(=O)c1ccc(=S)[nH]c1 1P0024ZV [0,1,0,0,1,0|2,0,0]=4 2025 B10R1.13 OC(=O)c1ccc(cc1)Br 1P0034ET [0,1,0,0,1,0|1,0,0]=3 2026 B10R1.13 OC(=O)c1ccc(cc1)C 1P003MJ8 [0,1,0,0,1,0|1,0,0]=3 2027 B10R1.13 OC(=O)c1ccc(cc1)Cl 1P003LNA [0,1,0,0,1,0|1,0,0]=3 2028 B10R1.13 OC(=O)c1ccc(cc1)F 1P0034I1 [0,1,0,0,1,0|1,0,0]=3 2029 B10R1.13 OC(=O)c1ccc(cc1)I 1P003M1C [0,1,0,0,1,0|1,0,0]=3 2030 B10R1.13 OC(=O)c1ccc(cc1)N 1P0034D8 [0,1,0,0,1,0|1,0,0]=3 2031 B10R1.13 OC(=O)c1ccc(cc1)N 1P00BC4F [0,1,0,0,1,0|1,0,0]=3 2032 B10R1.13 OC(=O)c1ccc(cc1)S 1P0034JT [0,1,0,0,1,0|1,0,0]=3 2033 B10R1.13 Oc1ccc(cc1)C(=O)O 1P0034IR [0,1,0,0,1,0|1,0,0]=3 2034 B10R1.13 Oc1ccc(cc1)C(O)C 1P00BCJG [0,1,0,0,1,0|0,0,2]=4 2035 B10R1.13 Oc1ccc(cc1)[C@@H](O)C 1P01AV7H [0,1,0,0,1,0|0,0,2]=4 2036 B10R1.13 Oc1ccc(cc1)[C@H](O)C 1P01AV7P [0,1,0,0,1,0|0,0,2]=4 2037 B10R1.13 Oc1ccc(cc1)[S+](C)C 1P003M0G [0,1,0,0,1,0|2,0,0]=4 2038 B10R1.13 Oc1ccc(cn1)C(=O)C 1P008ZI1 [0,1,0,0,1,0|1,0,0]=3 2039 B10R1.13 Oc1ccc(cn1)C(=O)N 1P00C74F [0,1,0,0,1,0|2,0,0]=4 2040 B10R1.13 Oc1ccc(nc1)C(=O)C 1P00FGUG [0,1,0,0,1,0|1,0,0]=3 2041 B10R1.13 Oc1ccc(nc1)C(=O)N 1P003WOP [0,1,0,0,1,0|2,0,0]=4 2042 B10R1.13 Oc1ccc(nc1)C(=O)O 1P000PO9 [0,1,0,0,1,0|2,0,0]=4 2043 B10R1.13 Oc1ccc(nc1)C(=O)O 1P001N9V [0,1,0,0,1,0|2,0,0]=4 2044 B10R1.13 Oc1ccc(nc1)C(=O)O 1P01DLAX [0,1,0,0,1,0|2,0,0]=4 2045 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] 1P003MDH [0,1,0,0,1,0|2,0,0]=4 2046 B10R1.13 Sc1ccc(cn1)C(=O)O 1P003NPT [0,1,0,0,1,0|2,0,0]=4 2047 B10R1.13 Sc1ccc(nc1)C(=O)O 1P028GIB [0,1,0,0,1,0|2,0,0]=4 2048 B10R1.13 [O-]C(=O)c1ccc(cc1)F 1P00DA0O [0,1,0,0,1,0|1,0,0]=3 2049 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P00189I [0,1,0,0,1,0|1,0,0]=3 2050 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P001LZJ [0,1,0,0,1,0|1,0,0]=3 2051 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P003L7N [0,1,0,0,1,0|1,0,0]=3 2052 B10R1.13 [O-]C(=O)c1ccc(cc1)O 1P000AQV [0,1,0,0,1,0|1,0,0]=3 2053 B10R1.13 [O-]c1ccc(cc1)[N+](=O)[O-] 1P003MCD [0,1,0,0,1,0|2,0,0]=4 2054 B10R1.28 BrS(=O)(=O)c1ccccc1 1P002M7T [0,1,0,0,1,0|2,0,0]=4 2055 B10R1.28 CC(c1ccccc1)(Br)C 1P01EMEJ [0,1,0,0,1,0|1,0,1]=4 2056 B10R1.28 CC(c1ccccc1)(C)C 1P003V27 [0,1,0,0,1,0|1,0,1]=4 2057 B10R1.28 CC(c1ccccc1)(Cl)C 1P00GTI7 [0,1,0,0,1,0|1,0,1]=4 2058 B10R1.28 CC(c1ccccc1)(N)C 1P0036GZ [0,1,0,0,1,0|1,0,1]=4 2059 B10R1.28 CC(c1ccccc1)(O)C 1P003IBQ [0,1,0,0,1,0|0,0,2]=4 2060 B10R1.28 CC(c1ccccc1)(S)C 1P001UF2 [0,1,0,0,1,0|0,1,1]=4 2061 B10R1.28 CP(=O)(c1ccccc1)C 1P01PGUE [0,1,0,0,1,0|1,0,0]=3 2062 B10R1.28 CP(=O)(c1ccccc1)Cl 1P003SKW [0,1,0,0,1,0|1,0,0]=3 2063 B10R1.28 CP(=O)(c1ccccn1)C 1P028NP1 [0,1,0,0,1,0|2,0,0]=4 2064 B10R1.28 CP(=O)(c1cccnc1)C 1P028MT4 [0,1,0,0,1,0|2,0,0]=4 2065 B10R1.28 CP(=O)(c1ccncc1)C 1P020M3I [0,1,0,0,1,0|2,0,0]=4 2066 B10R1.28 CP(c1ccccc1)([B+3])C 1P00CI08 [0,1,0,0,1,0|2,0,0]=4 2067 B10R1.28 CS(=O)(=N)c1ccccc1 1P00E023 [0,1,0,0,1,0|1,0,0]=3 2068 B10R1.28 CS(=O)(=N)c1ccccn1 1P00G5JK [0,1,0,0,1,0|2,0,0]=4 2069 B10R1.28 CS(=O)(=N)c1cccnc1 1P027RKY [0,1,0,0,1,0|2,0,0]=4 2070 B10R1.28 CS(=O)(=N)c1ccncc1 1P01B7JR [0,1,0,0,1,0|2,0,0]=4 2071 B10R1.28 CS(=O)(=O)c1ccccc1 1P0032MP [0,1,0,0,1,0|1,0,0]=3 2072 B10R1.28 CS(=O)(=O)c1ccccn1 1P00APLA [0,1,0,0,1,0|2,0,0]=4 2073 B10R1.28 CS(=O)(=O)c1cccnc1 1P00DF3B [0,1,0,0,1,0|2,0,0]=4 2074 B10R1.28 CS(=O)(=O)c1ccncc1 1P00ARDR [0,1,0,0,1,0|2,0,0]=4 2075 B10R1.28 C[N+](c1ccccc1)(C)C 1P0018A2 [0,1,0,0,1,0|2,0,0]=4 2076 B10R1.28 C[N+](c1ccccc1)(C)C 1P001SIH [0,1,0,0,1,0|2,0,0]=4 2077 B10R1.28 C[N+](c1ccccc1)(C)C 1P003U7B [0,1,0,0,1,0|2,0,0]=4 2078 B10R1.28 C[N+](c1ccccc1)(C)C 1P003VKU [0,1,0,0,1,0|2,0,0]=4 2079 B10R1.28 C[S@@](=O)(=N)c1ccccc1 1P003CYS [0,1,0,0,1,0|1,0,0]=3 2080 B10R1.28 C[Si](c1ccccc1)(C)C 1P003VK8 [0,1,0,0,1,0|1,1,0]=4 2081 B10R1.28 C[Si](c1ccccc1)(Cl)C 1P003PAA [0,1,0,0,1,0|1,1,0]=4 2082 B10R1.28 C[Si](c1ccccc1)(O)C 1P003Q46 [0,1,0,0,1,0|0,1,1]=4 2083 B10R1.28 ClP(=O)(c1ccccc1)Cl 1P0036VZ [0,1,0,0,1,0|2,0,0]=4 2084 B10R1.28 ClS(=O)(=O)c1ccccc1 1P001UZA [0,1,0,0,1,0|2,0,0]=4 2085 B10R1.28 ClS(=O)(=O)c1ccccc1 1P003OHS [0,1,0,0,1,0|2,0,0]=4 2086 B10R1.28 FS(=O)(=O)c1ccccc1 1P003OHV [0,1,0,0,1,0|2,0,0]=4 2087 B10R1.28 IS(=O)(=O)c1ccccc1 1P028OQQ [0,1,0,0,1,0|2,0,0]=4 2088 B10R1.28 NP(=O)(c1ccccc1)N 1P00DT3N [0,1,0,0,1,0|2,0,0]=4 2089 B10R1.28 NS(=O)(=O)c1ccccc1 1P0034YD [0,1,0,0,1,0|2,0,0]=4 2090 B10R1.28 O=S(C1=CC=CC=C1)(N)=N 1P01K4LQ [0,1,0,0,1,0|2,0,0]=4 2091 B10R1.28 OP(=O)(c1ccccc1)O 1P001POC [0,1,0,0,1,0|2,0,0]=4 2092 B10R1.28 OS(=O)(=O)c1ccccc1 1P002SCX [0,1,0,0,1,0|2,0,0]=4 2093 B10R1.28 OS(=O)(=O)c1ccccc1 1P003OHO [0,1,0,0,1,0|2,0,0]=4 2094 B10R1.28 OS(=O)(=O)c1ccccc1 1P003OHP [0,1,0,0,1,0|2,0,0]=4 2095 B10R1.28 OS(=O)(=O)c1ccccc1 1P00756N [0,1,0,0,1,0|2,0,0]=4 2096 B10R1.28 [O-]P(=O)(c1ccccc1)[O-] 1P002R3V [0,1,0,0,1,0|2,0,0]=4 2097 B10R1.28 [O-]S(=O)(=O)c1ccccc1 1P0035VA [0,1,0,0,1,0|2,0,0]=4 2098 B10R1.28 [O-]S(=O)(=O)c1ccccc1 1P003OHQ [0,1,0,0,1,0|2,0,0]=4 2099 B10R1.28 [O-]S(=S)(=O)c1ccccc1 1P002HMU [0,1,0,0,1,0|2,0,0]=4 2100 B10R1.28 [O-][Si](c1ccccc1)(C)C 1P003Q47 [0,1,0,0,1,0|0,1,1]=4 2101 B10R1.61 CC(=C)c1ccccc1Br 1P005H4B [0,1,0,0,1,0|1,0,0]=3 2102 B10R1.61 CC(=C)c1ccccc1F 1P01ACS1 [0,1,0,0,1,0|1,0,0]=3 2103 B10R1.61 CC(=C)c1ccccc1I 1P01GLJL [0,1,0,0,1,0|1,0,0]=3 2104 B10R1.61 CC(=C)c1ccccc1N 1P00DF51 [0,1,0,0,1,0|1,0,0]=3 2105 B10R1.61 CC(=O)c1c[nH]ccc1=O 1P00CYEH [0,1,0,0,1,0|1,0,0]=3 2106 B10R1.61 CC(=O)c1ccc[nH]c1=O 1P00EG1P [0,1,0,0,1,0|1,0,0]=3 2107 B10R1.61 CC(=O)c1ccccc1Br 1P00I4LL [0,1,0,0,1,0|0,0,0]=2 2108 B10R1.61 CC(=O)c1ccccc1C 1P003I51 [0,1,0,0,1,0|0,0,0]=2 2109 B10R1.61 CC(=O)c1ccccc1Cl 1P0033J6 [0,1,0,0,1,0|0,0,0]=2 2110 B10R1.61 CC(=O)c1ccccc1F 1P003GQQ [0,1,0,0,1,0|0,0,0]=2 2111 B10R1.61 CC(=O)c1ccccc1I 1P0033TR [0,1,0,0,1,0|0,0,0]=2 2112 B10R1.61 CC(=O)c1ccccc1N 1P0033KO [0,1,0,0,1,0|0,0,0]=2 2113 B10R1.61 CC(=O)c1ccccc1N 1P003GQI [0,1,0,0,1,0|0,0,0]=2 2114 B10R1.61 CC(=O)c1ccccc1O 1P0033TC [0,1,0,0,1,0|0,0,0]=2 2115 B10R1.61 CC(=O)c1ccccc1S 1P00BFT3 [0,1,0,0,1,0|0,0,0]=2 2116 B10R1.61 CC(=O)c1cccnc1Br 1P004PFL [0,1,0,0,1,0|1,0,0]=3 2117 B10R1.61 CC(=O)c1cccnc1C 1P00APS4 [0,1,0,0,1,0|1,0,0]=3 2118 B10R1.61 CC(=O)c1cccnc1Cl 1P003413 [0,1,0,0,1,0|1,0,0]=3 2119 B10R1.61 CC(=O)c1cccnc1F 1P0058LW [0,1,0,0,1,0|1,0,0]=3 2120 B10R1.61 CC(=O)c1cccnc1N 1P003DA0 [0,1,0,0,1,0|1,0,0]=3 2121 B10R1.61 CC(=O)c1ccncc1Br 1P007C19 [0,1,0,0,1,0|1,0,0]=3 2122 B10R1.61 CC(=O)c1ccncc1C 1P00G65L [0,1,0,0,1,0|1,0,0]=3 2123 B10R1.61 CC(=O)c1ccncc1Cl 1P005PZQ [0,1,0,0,1,0|1,0,0]=3 2124 B10R1.61 CC(=O)c1ccncc1F 1P003L35 [0,1,0,0,1,0|1,0,0]=3 2125 B10R1.61 CC(=O)c1ccncc1N 1P0010P1 [0,1,0,0,1,0|1,0,0]=3 2126 B10R1.61 CC(=O)c1ccncc1N 1P008V9A [0,1,0,0,1,0|1,0,0]=3 2127 B10R1.61 CC(=O)c1ccncc1O 1P00BFML [0,1,0,0,1,0|1,0,0]=3 2128 B10R1.61 CC(=O)c1cnccc1C 1P00DIDY [0,1,0,0,1,0|1,0,0]=3 2129 B10R1.61 CC(=O)c1cnccc1Cl 1P01JV6G [0,1,0,0,1,0|1,0,0]=3 2130 B10R1.61 CC(=O)c1cnccc1N 1P019U55 [0,1,0,0,1,0|1,0,0]=3 2131 B10R1.61 CC(=O)c1cnccc1N 1P0280Q1 [0,1,0,0,1,0|1,0,0]=3 2132 B10R1.61 CC(=O)c1cncnc1C 1P01AGIT [0,1,0,0,1,0|2,0,0]=4 2133 B10R1.61 CC(=O)c1cncnc1N 1P01KKRL [0,1,0,0,1,0|2,0,0]=4 2134 B10R1.61 CC(=O)c1ncccc1Br 1P0083FB [0,1,0,0,1,0|1,0,0]=3 2135 B10R1.61 CC(=O)c1ncccc1C 1P003GRM [0,1,0,0,1,0|1,0,0]=3 2136 B10R1.61 CC(=O)c1ncccc1Cl 1P0073R0 [0,1,0,0,1,0|1,0,0]=3 2137 B10R1.61 CC(=O)c1ncccc1F 1P0036MY [0,1,0,0,1,0|1,0,0]=3 2138 B10R1.61 CC(=O)c1ncccc1N 1P0010P6 [0,1,0,0,1,0|1,0,0]=3 2139 B10R1.61 CC(=O)c1ncccc1O 1P0010P5 [0,1,0,0,1,0|1,0,0]=3 2140 B10R1.61 CC(=O)c1nccnc1C 1P0033J9 [0,1,0,0,1,0|2,0,0]=4 2141 B10R1.61 CC(=O)c1nccnc1Cl 1P009X3P [0,1,0,0,1,0|2,0,0]=4 2142 B10R1.61 CC(=O)c1ncncc1Br 1P000MPQ [0,1,0,0,1,0|2,0,0]=4 2143 B10R1.61 CC(=O)c1ncncc1Cl 1P029263 [0,1,0,0,1,0|2,0,0]=4 2144 B10R1.61 CC(c1ccccc1Br)Br 1P019XVS [0,1,0,0,1,0|1,0,1]=4 2145 B10R1.61 CC(c1ccccc1Br)C 1P003EJ7 [0,1,0,0,1,0|1,0,1]=4 2146 B10R1.61 CC(c1ccccc1Br)Cl 1P01DKNF [0,1,0,0,1,0|1,0,1]=4 2147 B10R1.61 CC(c1ccccc1Br)N 1P000AHK [0,1,0,0,1,0|1,0,1]=4 2148 B10R1.61 CC(c1ccccc1Br)N 1P0092T3 [0,1,0,0,1,0|1,0,1]=4 2149 B10R1.61 CC(c1ccccc1Br)O 1P003DA9 [0,1,0,0,1,0|0,0,2]=4 2150 B10R1.61 CC(c1ccccc1C)Br 1P01A1EI [0,1,0,0,1,0|1,0,1]=4 2151 B10R1.61 CC(c1ccccc1C)N 1P003DBW [0,1,0,0,1,0|1,0,1]=4 2152 B10R1.61 CC(c1ccccc1C)N 1P003DBX [0,1,0,0,1,0|1,0,1]=4 2153 B10R1.61 CC(c1ccccc1C)O 1P003DBY [0,1,0,0,1,0|0,0,2]=4 2154 B10R1.61 CC(c1ccccc1Cl)Br 1P019WZ5 [0,1,0,0,1,0|1,0,1]=4 2155 B10R1.61 CC(c1ccccc1Cl)Cl 1P003ENU [0,1,0,0,1,0|1,0,1]=4 2156 B10R1.61 CC(c1ccccc1Cl)N 1P003DAL [0,1,0,0,1,0|1,0,1]=4 2157 B10R1.61 CC(c1ccccc1Cl)N 1P004TXJ [0,1,0,0,1,0|1,0,1]=4 2158 B10R1.61 CC(c1ccccc1Cl)O 1P003DAM [0,1,0,0,1,0|0,0,2]=4 2159 B10R1.61 CC(c1ccccc1Cl)S 1P019Y2B [0,1,0,0,1,0|0,1,1]=4 2160 B10R1.61 CC(c1ccccc1F)Br 1P00CMDW [0,1,0,0,1,0|1,0,1]=4 2161 B10R1.61 CC(c1ccccc1F)C 1P0028LT [0,1,0,0,1,0|1,0,1]=4 2162 B10R1.61 CC(c1ccccc1F)Cl 1P00JZKB [0,1,0,0,1,0|1,0,1]=4 2163 B10R1.61 CC(c1ccccc1F)N 1P0059PI [0,1,0,0,1,0|1,0,1]=4 2164 B10R1.61 CC(c1ccccc1F)O 1P003DB1 [0,1,0,0,1,0|0,0,2]=4 2165 B10R1.61 CC(c1ccccc1F)S 1P01A8HI [0,1,0,0,1,0|0,1,1]=4 2166 B10R1.61 CC(c1ccccc1I)C 1P002FFC [0,1,0,0,1,0|1,0,1]=4 2167 B10R1.61 CC(c1ccccc1N)C 1P003HYD [0,1,0,0,1,0|1,0,1]=4 2168 B10R1.61 CC(c1ccccc1N)N 1P01A3PI [0,1,0,0,1,0|1,0,1]=4 2169 B10R1.61 CC(c1ccccc1N)O 1P003D9Y [0,1,0,0,1,0|0,0,2]=4 2170 B10R1.61 CC(c1ccccc1O)C 1P0047XW [0,1,0,0,1,0|1,0,1]=4 2171 B10R1.61 CC(c1ccccc1O)N 1P00H1GO [0,1,0,0,1,0|1,0,1]=4 2172 B10R1.61 CC(c1ccccc1O)O 1P01DL38 [0,1,0,0,1,0|0,0,2]=4 2173 B10R1.61 CC(c1ccccc1S)C 1P003HYE [0,1,0,0,1,0|1,0,1]=4 2174 B10R1.61 CN(c1ccccc1Br)C 1P00FB2Q [0,1,0,0,1,0|2,0,0]=4 2175 B10R1.61 CN(c1ccccc1C)C 1P0035RI [0,1,0,0,1,0|2,0,0]=4 2176 B10R1.61 CN(c1ccccc1F)C 1P00C7MB [0,1,0,0,1,0|2,0,0]=4 2177 B10R1.61 CN(c1ccccc1I)C 1P01A1PS [0,1,0,0,1,0|2,0,0]=4 2178 B10R1.61 CN(c1ccccc1N)C 1P00BGJW [0,1,0,0,1,0|2,0,0]=4 2179 B10R1.61 CN(c1ccccc1O)C 1P003AK2 [0,1,0,0,1,0|2,0,0]=4 2180 B10R1.61 CN(c1ccccc1O)C 1P01K0CF [0,1,0,0,1,0|2,0,0]=4 2181 B10R1.61 CS(=O)c1ccccc1Br 1P00ICU5 [0,1,0,0,1,0|1,0,0]=3 2182 B10R1.61 CS(=O)c1ccccc1N 1P019WQG [0,1,0,0,1,0|1,0,0]=3 2183 B10R1.61 CS(=O)c1ccccc1O 1P008565 [0,1,0,0,1,0|1,0,0]=3 2184 B10R1.61 C[C@@H](c1ccccc1Br)N 1P001D2B [0,1,0,0,1,0|1,0,1]=4 2185 B10R1.61 C[C@@H](c1ccccc1Br)N 1P008ZLH [0,1,0,0,1,0|1,0,1]=4 2186 B10R1.61 C[C@@H](c1ccccc1Br)O 1P000EVE [0,1,0,0,1,0|0,0,2]=4 2187 B10R1.61 C[C@@H](c1ccccc1C)N 1P0014ZZ [0,1,0,0,1,0|1,0,1]=4 2188 B10R1.61 C[C@@H](c1ccccc1C)N 1P00G60I [0,1,0,0,1,0|1,0,1]=4 2189 B10R1.61 C[C@@H](c1ccccc1C)O 1P00DA1B [0,1,0,0,1,0|0,0,2]=4 2190 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P005LCN [0,1,0,0,1,0|1,0,1]=4 2191 B10R1.61 C[C@@H](c1ccccc1Cl)N 1P009ZP2 [0,1,0,0,1,0|1,0,1]=4 2192 B10R1.61 C[C@@H](c1ccccc1Cl)O 1P0010AH [0,1,0,0,1,0|0,0,2]=4 2193 B10R1.61 C[C@@H](c1ccccc1F)N 1P001501 [0,1,0,0,1,0|1,0,1]=4 2194 B10R1.61 C[C@@H](c1ccccc1F)N 1P006CBN [0,1,0,0,1,0|1,0,1]=4 2195 B10R1.61 C[C@@H](c1ccccc1F)O 1P007UPU [0,1,0,0,1,0|0,0,2]=4 2196 B10R1.61 C[C@@H](c1ccccc1O)N 1P007NTC [0,1,0,0,1,0|1,0,1]=4 2197 B10R1.61 C[C@@H](c1ccccc1O)N 1P024HV8 [0,1,0,0,1,0|1,0,1]=4 2198 B10R1.61 C[C@H](c1ccccc1Br)N 1P000AOU [0,1,0,0,1,0|1,0,1]=4 2199 B10R1.61 C[C@H](c1ccccc1Br)N 1P0092RK [0,1,0,0,1,0|1,0,1]=4 2200 B10R1.61 C[C@H](c1ccccc1Br)O 1P0058C2 [0,1,0,0,1,0|0,0,2]=4 2201 B10R1.61 C[C@H](c1ccccc1C)N 1P008HMX [0,1,0,0,1,0|1,0,1]=4 2202 B10R1.61 C[C@H](c1ccccc1C)N 1P008Y12 [0,1,0,0,1,0|1,0,1]=4 2203 B10R1.61 C[C@H](c1ccccc1C)O 1P00CLM3 [0,1,0,0,1,0|0,0,2]=4 2204 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000DMI [0,1,0,0,1,0|1,0,1]=4 2205 B10R1.61 C[C@H](c1ccccc1Cl)N 1P000XTH [0,1,0,0,1,0|1,0,1]=4 2206 B10R1.61 C[C@H](c1ccccc1Cl)O 1P003CNI [0,1,0,0,1,0|0,0,2]=4 2207 B10R1.61 C[C@H](c1ccccc1F)N 1P000DPW [0,1,0,0,1,0|1,0,1]=4 2208 B10R1.61 C[C@H](c1ccccc1F)N 1P007790 [0,1,0,0,1,0|1,0,1]=4 2209 B10R1.61 C[C@H](c1ccccc1F)O 1P00HZ87 [0,1,0,0,1,0|0,0,2]=4 2210 B10R1.61 C[C@H](c1ccccc1O)N 1P000LS1 [0,1,0,0,1,0|1,0,1]=4 2211 B10R1.61 C[C@H](c1ccccc1O)N 1P01BTZ7 [0,1,0,0,1,0|1,0,1]=4 2212 B10R1.61 C[C@H](c1ccccc1O)O 1P023PVI [0,1,0,0,1,0|0,0,2]=4 2213 B10R1.61 ClC(=O)c1ccccc1Br 1P003H8A [0,1,0,0,1,0|1,0,0]=3 2214 B10R1.61 ClC(=O)c1ccccc1C 1P003TYW [0,1,0,0,1,0|1,0,0]=3 2215 B10R1.61 ClC(=O)c1ccccc1Cl 1P003HII [0,1,0,0,1,0|1,0,0]=3 2216 B10R1.61 ClC(=O)c1ccccc1F 1P003HSA [0,1,0,0,1,0|1,0,0]=3 2217 B10R1.61 ClC(=O)c1ccccc1I 1P003HXI [0,1,0,0,1,0|1,0,0]=3 2218 B10R1.61 ClC(=O)c1cccnc1Cl 1P00I9BS [0,1,0,0,1,0|2,0,0]=4 2219 B10R1.61 ClC(=O)c1cccnc1F 1P000QAE [0,1,0,0,1,0|2,0,0]=4 2220 B10R1.61 ClC(=O)c1ccncc1Br 1P01C2FU [0,1,0,0,1,0|2,0,0]=4 2221 B10R1.61 ClS(=O)c1ccccc1Cl 1P01DZLM [0,1,0,0,1,0|2,0,0]=4 2222 B10R1.61 ClS(=O)c1ccccc1F 1P01BRL7 [0,1,0,0,1,0|2,0,0]=4 2223 B10R1.61 FC(=O)c1ccccc1F 1P01XIN5 [0,1,0,0,1,0|1,0,0]=3 2224 B10R1.61 NC(=N)c1ccccc1Br 1P00EGII [0,1,0,0,1,0|2,0,0]=4 2225 B10R1.61 NC(=N)c1ccccc1C 1P003I59 [0,1,0,0,1,0|2,0,0]=4 2226 B10R1.61 NC(=N)c1ccccc1Cl 1P003HI9 [0,1,0,0,1,0|2,0,0]=4 2227 B10R1.61 NC(=N)c1ccccc1Cl 1P00D8UO [0,1,0,0,1,0|2,0,0]=4 2228 B10R1.61 NC(=N)c1ccccc1F 1P00E9F1 [0,1,0,0,1,0|2,0,0]=4 2229 B10R1.61 NC(=N)c1ccccc1F 1P00FGXY [0,1,0,0,1,0|2,0,0]=4 2230 B10R1.61 NC(=N)c1ccccc1F 1P01C65V [0,1,0,0,1,0|2,0,0]=4 2231 B10R1.61 NC(=N)c1ccccc1F 1P02841W [0,1,0,0,1,0|2,0,0]=4 2232 B10R1.61 NC(=N)c1ccccc1O 1P00DK4F [0,1,0,0,1,0|2,0,0]=4 2233 B10R1.61 NC(=O)c1ccccc1Br 1P00BXYL [0,1,0,0,1,0|1,0,0]=3 2234 B10R1.61 NC(=O)c1ccccc1C 1P003I57 [0,1,0,0,1,0|1,0,0]=3 2235 B10R1.61 NC(=O)c1ccccc1Cl 1P003HI8 [0,1,0,0,1,0|1,0,0]=3 2236 B10R1.61 NC(=O)c1ccccc1F 1P003HS3 [0,1,0,0,1,0|1,0,0]=3 2237 B10R1.61 NC(=O)c1ccccc1I 1P00C7AR [0,1,0,0,1,0|1,0,0]=3 2238 B10R1.61 NC(=O)c1ccccc1N 1P003GZT [0,1,0,0,1,0|1,0,0]=3 2239 B10R1.61 NC(=O)c1ccccc1O 1P003UNA [0,1,0,0,1,0|1,0,0]=3 2240 B10R1.61 NC(=O)c1ccccc1S 1P01AHBV [0,1,0,0,1,0|1,0,0]=3 2241 B10R1.61 NC(=O)c1cccnc1Br 1P004KW5 [0,1,0,0,1,0|2,0,0]=4 2242 B10R1.61 NC(=O)c1cccnc1C 1P0036DJ [0,1,0,0,1,0|2,0,0]=4 2243 B10R1.61 NC(=O)c1cccnc1Cl 1P003HJJ [0,1,0,0,1,0|2,0,0]=4 2244 B10R1.61 NC(=O)c1cccnc1N 1P003H0N [0,1,0,0,1,0|2,0,0]=4 2245 B10R1.61 NC(=O)c1cccnc1S 1P00E1PI [0,1,0,0,1,0|2,0,0]=4 2246 B10R1.61 NC(=O)c1ccncc1Br 1P001BRK [0,1,0,0,1,0|2,0,0]=4 2247 B10R1.61 NC(=O)c1ccncc1C 1P002QZ3 [0,1,0,0,1,0|2,0,0]=4 2248 B10R1.61 NC(=O)c1ccncc1Cl 1P0003HU [0,1,0,0,1,0|2,0,0]=4 2249 B10R1.61 NC(=O)c1ccncc1F 1P00ACKC [0,1,0,0,1,0|2,0,0]=4 2250 B10R1.61 NC(=O)c1ccncc1N 1P003JEB [0,1,0,0,1,0|2,0,0]=4 2251 B10R1.61 NC(=O)c1ccncc1N 1P00EAYC [0,1,0,0,1,0|2,0,0]=4 2252 B10R1.61 NC(=O)c1ccncc1N 1P01AL91 [0,1,0,0,1,0|2,0,0]=4 2253 B10R1.61 NC(=O)c1ccncc1O 1P0004LB [0,1,0,0,1,0|2,0,0]=4 2254 B10R1.61 NC(=O)c1cnccc1Br 1P027UFY [0,1,0,0,1,0|2,0,0]=4 2255 B10R1.61 NC(=O)c1cnccc1C 1P005T1X [0,1,0,0,1,0|2,0,0]=4 2256 B10R1.61 NC(=O)c1cnccc1Cl 1P005DUV [0,1,0,0,1,0|2,0,0]=4 2257 B10R1.61 NC(=O)c1cnccc1N 1P00FCTF [0,1,0,0,1,0|2,0,0]=4 2258 B10R1.61 NC(=O)c1cnccc1O 1P00FFRW [0,1,0,0,1,0|2,0,0]=4 2259 B10R1.61 NC(=O)c1ncccc1Br 1P00CJQP [0,1,0,0,1,0|2,0,0]=4 2260 B10R1.61 NC(=O)c1ncccc1C 1P00GT5N [0,1,0,0,1,0|2,0,0]=4 2261 B10R1.61 NC(=O)c1ncccc1Cl 1P000AYW [0,1,0,0,1,0|2,0,0]=4 2262 B10R1.61 NC(=O)c1ncccc1N 1P00D8IG [0,1,0,0,1,0|2,0,0]=4 2263 B10R1.61 NC(=O)c1ncccc1O 1P003K1J [0,1,0,0,1,0|2,0,0]=4 2264 B10R1.61 NC(=S)c1ccccc1Br 1P003H9S [0,1,0,0,1,0|1,1,0]=4 2265 B10R1.61 NC(=S)c1ccccc1C 1P00D8TE [0,1,0,0,1,0|1,1,0]=4 2266 B10R1.61 NC(=S)c1ccccc1Cl 1P001PQE [0,1,0,0,1,0|1,1,0]=4 2267 B10R1.61 NC(=S)c1ccccc1F 1P005TSU [0,1,0,0,1,0|1,1,0]=4 2268 B10R1.61 NC(=S)c1ccccc1N 1P002OYJ [0,1,0,0,1,0|1,1,0]=4 2269 B10R1.61 NC(=S)c1ccccc1O 1P005VU3 [0,1,0,0,1,0|1,1,0]=4 2270 B10R1.61 NC(=S)c1ccccc1S 1P0286LO [0,1,0,0,1,0|1,1,0]=4 2271 B10R1.61 O=N(=O)c1ccccc1C 1P003IA0 [0,1,0,0,1,0|2,0,0]=4 2272 B10R1.61 O=N(=O)c1ccccc1Cl 1P00IKVH [0,1,0,0,1,0|2,0,0]=4 2273 B10R1.61 O=N(=O)c1ccccc1N 1P003TY5 [0,1,0,0,1,0|2,0,0]=4 2274 B10R1.61 O=N(=O)c1ccccc1O 1P003TY6 [0,1,0,0,1,0|2,0,0]=4 2275 B10R1.61 OC(=O)c1cccc[n+]1[O-] 1P003U8Q [0,1,0,0,1,0|2,0,0]=4 2276 B10R1.61 OC(=O)c1ccccc1Br 1P0033MS [0,1,0,0,1,0|1,0,0]=3 2277 B10R1.61 OC(=O)c1ccccc1C 1P0035WF [0,1,0,0,1,0|1,0,0]=3 2278 B10R1.61 OC(=O)c1ccccc1Cl 1P003HIE [0,1,0,0,1,0|1,0,0]=3 2279 B10R1.61 OC(=O)c1ccccc1F 1P003HS6 [0,1,0,0,1,0|1,0,0]=3 2280 B10R1.61 OC(=O)c1ccccc1I 1P00IFBA [0,1,0,0,1,0|1,0,0]=3 2281 B10R1.61 OC(=O)c1ccccc1O 1P0072Q7 [0,1,0,0,1,0|1,0,0]=3 2282 B10R1.61 OC(=O)c1ccccc1O 1P00GA1V [0,1,0,0,1,0|1,0,0]=3 2283 B10R1.61 OC(=O)c1cccnc1Br 1P007DQN [0,1,0,0,1,0|2,0,0]=4 2284 B10R1.61 OC(=O)c1cccnc1C 1P003I6J [0,1,0,0,1,0|2,0,0]=4 2285 B10R1.61 OC(=O)c1cccnc1C 1P007Q5X [0,1,0,0,1,0|2,0,0]=4 2286 B10R1.61 OC(=O)c1cccnc1Cl 1P002YTC [0,1,0,0,1,0|2,0,0]=4 2287 B10R1.61 OC(=O)c1cccnc1F 1P003HSN [0,1,0,0,1,0|2,0,0]=4 2288 B10R1.61 OC(=O)c1cccnc1I 1P00EGNX [0,1,0,0,1,0|2,0,0]=4 2289 B10R1.61 OC(=O)c1cccnc1N 1P0033L3 [0,1,0,0,1,0|2,0,0]=4 2290 B10R1.61 OC(=O)c1cccnc1O 1P0033TM [0,1,0,0,1,0|2,0,0]=4 2291 B10R1.61 OC(=O)c1cccnc1S 1P003HZ1 [0,1,0,0,1,0|2,0,0]=4 2292 B10R1.61 OC(=O)c1ccncc1Br 1P001BSI [0,1,0,0,1,0|2,0,0]=4 2293 B10R1.61 OC(=O)c1ccncc1C 1P0039KX [0,1,0,0,1,0|2,0,0]=4 2294 B10R1.61 OC(=O)c1ccncc1C 1P00ELDZ [0,1,0,0,1,0|2,0,0]=4 2295 B10R1.61 OC(=O)c1ccncc1Cl 1P008AMD [0,1,0,0,1,0|2,0,0]=4 2296 B10R1.61 OC(=O)c1ccncc1F 1P003JYI [0,1,0,0,1,0|2,0,0]=4 2297 B10R1.61 OC(=O)c1ccncc1I 1P00E99I [0,1,0,0,1,0|2,0,0]=4 2298 B10R1.61 OC(=O)c1ccncc1N 1P003JEC [0,1,0,0,1,0|2,0,0]=4 2299 B10R1.61 OC(=O)c1ccncc1O 1P0004LD [0,1,0,0,1,0|2,0,0]=4 2300 B10R1.61 OC(=O)c1ccncc1S 1P002331 [0,1,0,0,1,0|2,0,0]=4 2301 B10R1.61 OC(=O)c1cnccc1Br 1P003875 [0,1,0,0,1,0|2,0,0]=4 2302 B10R1.61 OC(=O)c1cnccc1C 1P003M9A [0,1,0,0,1,0|2,0,0]=4 2303 B10R1.61 OC(=O)c1cnccc1C 1P00GSON [0,1,0,0,1,0|2,0,0]=4 2304 B10R1.61 OC(=O)c1cnccc1Cl 1P0005WO [0,1,0,0,1,0|2,0,0]=4 2305 B10R1.61 OC(=O)c1cnccc1F 1P007K8H [0,1,0,0,1,0|2,0,0]=4 2306 B10R1.61 OC(=O)c1cnccc1I 1P01FJ5J [0,1,0,0,1,0|2,0,0]=4 2307 B10R1.61 OC(=O)c1cnccc1N 1P003L8E [0,1,0,0,1,0|2,0,0]=4 2308 B10R1.61 OC(=O)c1cnccc1O 1P003M09 [0,1,0,0,1,0|2,0,0]=4 2309 B10R1.61 OC(=O)c1cnccc1S 1P002333 [0,1,0,0,1,0|2,0,0]=4 2310 B10R1.61 OC(=O)c1ncccc1Br 1P00319D [0,1,0,0,1,0|2,0,0]=4 2311 B10R1.61 OC(=O)c1ncccc1C 1P000LL7 [0,1,0,0,1,0|2,0,0]=4 2312 B10R1.61 OC(=O)c1ncccc1C 1P003488 [0,1,0,0,1,0|2,0,0]=4 2313 B10R1.61 OC(=O)c1ncccc1Cl 1P003JRZ [0,1,0,0,1,0|2,0,0]=4 2314 B10R1.61 OC(=O)c1ncccc1F 1P006UT0 [0,1,0,0,1,0|2,0,0]=4 2315 B10R1.61 OC(=O)c1ncccc1I 1P005WO7 [0,1,0,0,1,0|2,0,0]=4 2316 B10R1.61 OC(=O)c1ncccc1N 1P001E9I [0,1,0,0,1,0|2,0,0]=4 2317 B10R1.61 OC(=O)c1ncccc1O 1P00DBOF [0,1,0,0,1,0|2,0,0]=4 2318 B10R1.61 OC(=O)c1ncccc1S 1P00C9IZ [0,1,0,0,1,0|2,0,0]=4 2319 B10R1.61 OC(=S)c1ccccc1O 1P006V4J [0,1,0,0,1,0|1,0,1]=4 2320 B10R1.61 [O-]C(=O)c1ccccc1Cl 1P00APO5 [0,1,0,0,1,0|1,0,0]=3 2321 B10R1.61 [O-]C(=O)c1ccccc1F 1P006WEJ [0,1,0,0,1,0|1,0,0]=3 2322 B10R1.61 [O-]C(=O)c1ccccc1O 1P002IGB [0,1,0,0,1,0|1,0,0]=3 2323 B10R1.61 [O-]C(=O)c1ccccc1O 1P00352J [0,1,0,0,1,0|1,0,0]=3 2324 B10R1.61 [O-]C(=O)c1ccccc1O 1P003OC6 [0,1,0,0,1,0|1,0,0]=3 2325 B10R1.61 [O-]C(=O)c1ccccc1O 1P003RSL [0,1,0,0,1,0|1,0,0]=3 2326 B10R1.61 [O-]C(=O)c1ccccc1O 1P003UUP [0,1,0,0,1,0|1,0,0]=3 2327 B10R1.61 [O-]C(=O)c1ccccc1O 1P00IAR4 [0,1,0,0,1,0|1,0,0]=3 2328 B10R1.61 [O-]C(=O)c1ccccc1S 1P003V9F [0,1,0,0,1,0|1,0,0]=3 2329 B10R1.61 [O-]C(=O)c1ncccc1Br 1P008VJH [0,1,0,0,1,0|2,0,0]=4 2330 B10R1.61 [O-]C(=O)c1ncccc1O 1P00IEYX [0,1,0,0,1,0|2,0,0]=4 2331 B10R1.61 [O-]S(=O)c1ccccc1Br 1P01C8NU [0,1,0,0,1,0|2,0,0]=4 2332 B10R1.61 [O-]S(=O)c1ccccc1C 1P00B5ML [0,1,0,0,1,0|2,0,0]=4 2333 B10R1.61 [O-]S(=O)c1ccccc1C 1P028LVY [0,1,0,0,1,0|2,0,0]=4 2334 B10R1.61 [O-]S(=O)c1ccccc1Cl 1P001RKU [0,1,0,0,1,0|2,0,0]=4 2335 B10R1.61 [O-]S(=O)c1ccccc1F 1P01BEXE [0,1,0,0,1,0|2,0,0]=4 2336 B10R1.61 [O-][N+](=O)c1ccccc1Br 1P00380N [0,1,0,0,1,0|2,0,0]=4 2337 B10R1.61 [O-][N+](=O)c1ccccc1F 1P001M0Y [0,1,0,0,1,0|2,0,0]=4 2338 B10R1.61 [O-][N+](=O)c1ccccc1N 1P001RAI [0,1,0,0,1,0|2,0,0]=4 2339 B10R1.61 [O-][N+](=O)c1ccccc1S 1P003A8J [0,1,0,0,1,0|2,0,0]=4 2340 B10R1.61 [O-][N+](=O)c1ccccc1[O-] 1P003BQ2 [0,1,0,0,1,0|2,0,0]=4 2341 B10R1.113 Brc1cccc(c1)C(=C)C 1P01DFHU [0,1,0,0,1,0|1,0,0]=3 2342 B10R1.113 Brc1cccc(c1)C(=C)F 1P01KJDN [0,1,0,0,1,0|1,0,1]=4 2343 B10R1.113 Brc1cccc(c1)C(=N)N 1P002SCY [0,1,0,0,1,0|2,0,0]=4 2344 B10R1.113 Brc1cccc(c1)C(=N)N 1P00385V [0,1,0,0,1,0|2,0,0]=4 2345 B10R1.113 Brc1cccc(c1)C(=O)C 1P00343B [0,1,0,0,1,0|0,0,0]=2 2346 B10R1.113 Brc1cccc(c1)C(=O)Cl 1P003JKS [0,1,0,0,1,0|1,0,0]=3 2347 B10R1.113 Brc1cccc(c1)C(=O)N 1P003JKP [0,1,0,0,1,0|1,0,0]=3 2348 B10R1.113 Brc1cccc(c1)C(=O)O 1P00343E [0,1,0,0,1,0|1,0,0]=3 2349 B10R1.113 Brc1cccc(c1)C(=S)N 1P003JM0 [0,1,0,0,1,0|1,1,0]=4 2350 B10R1.113 Brc1cccc(c1)C(Br)C 1P00ELOM [0,1,0,0,1,0|1,0,1]=4 2351 B10R1.113 Brc1cccc(c1)C(C)C 1P00343H [0,1,0,0,1,0|1,0,1]=4 2352 B10R1.113 Brc1cccc(c1)C(Cl)C 1P002CJP [0,1,0,0,1,0|1,0,1]=4 2353 B10R1.113 Brc1cccc(c1)C(F)C 1P01BWJ9 [0,1,0,0,1,0|1,0,1]=4 2354 B10R1.113 Brc1cccc(c1)C(N)C 1P003DD5 [0,1,0,0,1,0|1,0,1]=4 2355 B10R1.113 Brc1cccc(c1)C(N)C 1P00GUE1 [0,1,0,0,1,0|1,0,1]=4 2356 B10R1.113 Brc1cccc(c1)C(O)C 1P003DD6 [0,1,0,0,1,0|0,0,2]=4 2357 B10R1.113 Brc1cccc(c1)C(S)C 1P01ALX8 [0,1,0,0,1,0|0,1,1]=4 2358 B10R1.113 Brc1cccc(c1)N(C)C 1P001VRB [0,1,0,0,1,0|2,0,0]=4 2359 B10R1.113 Brc1cccc(c1)P(C)C 1P027Z7K [0,1,0,0,1,0|2,0,0]=4 2360 B10R1.113 Brc1cccc(c1)S(=O)C 1P00I61D [0,1,0,0,1,0|1,0,0]=3 2361 B10R1.113 Brc1cccc(c1)S(=O)[O-] 1P0087RC [0,1,0,0,1,0|2,0,0]=4 2362 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P001B71 [0,1,0,0,1,0|1,0,1]=4 2363 B10R1.113 Brc1cccc(c1)[C@@H](N)C 1P01DUN8 [0,1,0,0,1,0|1,0,1]=4 2364 B10R1.113 Brc1cccc(c1)[C@@H](O)C 1P009B9B [0,1,0,0,1,0|0,0,2]=4 2365 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P0025AP [0,1,0,0,1,0|1,0,1]=4 2366 B10R1.113 Brc1cccc(c1)[C@H](N)C 1P00HE7L [0,1,0,0,1,0|1,0,1]=4 2367 B10R1.113 Brc1cccc(c1)[C@H](O)C 1P00HTTB [0,1,0,0,1,0|0,0,2]=4 2368 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] 1P00IAUX [0,1,0,0,1,0|2,0,0]=4 2369 B10R1.113 Brc1cccc(n1)C(=O)C 1P003GRS [0,1,0,0,1,0|1,0,0]=3 2370 B10R1.113 Brc1cccc(n1)C(=O)N 1P002RBC [0,1,0,0,1,0|2,0,0]=4 2371 B10R1.113 Brc1cccc(n1)C(=O)O 1P003NLN [0,1,0,0,1,0|2,0,0]=4 2372 B10R1.113 Brc1nccc(c1)C(=O)C 1P008GLR [0,1,0,0,1,0|1,0,0]=3 2373 B10R1.113 Brc1nccc(c1)C(=O)N 1P0037VO [0,1,0,0,1,0|2,0,0]=4 2374 B10R1.113 Brc1nccc(c1)C(=O)O 1P003H8P [0,1,0,0,1,0|2,0,0]=4 2375 B10R1.113 CC(=C)c1cc(Br)cnc1 1P00CJ77 [0,1,0,0,1,0|2,0,0]=4 2376 B10R1.113 CC(=C)c1cc(Cl)cnc1 1P00Q7ZC [0,1,0,0,1,0|2,0,0]=4 2377 B10R1.113 CC(=O)c1cc(Br)ccn1 1P008X5S [0,1,0,0,1,0|1,0,0]=3 2378 B10R1.113 CC(=O)c1cc(Br)cnc1 1P003JA1 [0,1,0,0,1,0|1,0,0]=3 2379 B10R1.113 CC(=O)c1cc(Cl)ccn1 1P00EAZB [0,1,0,0,1,0|1,0,0]=3 2380 B10R1.113 CC(=O)c1cc(Cl)cnc1 1P0096YV [0,1,0,0,1,0|1,0,0]=3 2381 B10R1.113 CC(=O)c1cc(Cl)ncn1 1P00I4HG [0,1,0,0,1,0|2,0,0]=4 2382 B10R1.113 CC(=O)c1cc(F)cnc1 1P007HHH [0,1,0,0,1,0|1,0,0]=3 2383 B10R1.113 CC(=O)c1cc(N)ccn1 1P01FPBD [0,1,0,0,1,0|1,0,0]=3 2384 B10R1.113 CC(=O)c1cc(O)cnc1 1P00H2TX [0,1,0,0,1,0|1,0,0]=3 2385 B10R1.113 CC(=O)c1cc[nH]c(=N)n1 1P008RVN [0,1,0,0,1,0|2,0,0]=4 2386 B10R1.113 CC(=O)c1cc[nH]c(=O)c1 1P0087BW [0,1,0,0,1,0|1,0,0]=3 2387 B10R1.113 CC(=O)c1cncc(n1)Cl 1P000Q11 [0,1,0,0,1,0|2,0,0]=4 2388 B10R1.113 C[n+]1cccc(c1)C(=O)N 1P0002MF [0,1,0,0,1,0|2,0,0]=4 2389 B10R1.113 C[n+]1cccc(c1)C(=O)O 1P003VJ9 [0,1,0,0,1,0|2,0,0]=4 2390 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] 1P003A9A [0,1,0,0,1,0|2,0,0]=4 2391 B10R1.113 Cc1cc(cnc1)C(=O)N 1P003ND0 [0,1,0,0,1,0|2,0,0]=4 2392 B10R1.113 Cc1cc(cnc1)C(=O)O 1P003ND1 [0,1,0,0,1,0|2,0,0]=4 2393 B10R1.113 Cc1cc(ncc1)C(=O)O 1P0036FE [0,1,0,0,1,0|2,0,0]=4 2394 B10R1.113 Cc1cccc(c1)C(=C)C 1P003RUW [0,1,0,0,1,0|1,0,0]=3 2395 B10R1.113 Cc1cccc(c1)C(=N)N 1P002J5B [0,1,0,0,1,0|2,0,0]=4 2396 B10R1.113 Cc1cccc(c1)C(=N)N 1P0075JC [0,1,0,0,1,0|2,0,0]=4 2397 B10R1.113 Cc1cccc(c1)C(=O)C 1P00IAUW [0,1,0,0,1,0|0,0,0]=2 2398 B10R1.113 Cc1cccc(c1)C(=O)Cl 1P003SN4 [0,1,0,0,1,0|1,0,0]=3 2399 B10R1.113 Cc1cccc(c1)C(=O)N 1P003K78 [0,1,0,0,1,0|1,0,0]=3 2400 B10R1.113 Cc1cccc(c1)C(=O)O 1P003SN2 [0,1,0,0,1,0|1,0,0]=3 2401 B10R1.113 Cc1cccc(c1)C(=S)N 1P002OEP [0,1,0,0,1,0|1,1,0]=4 2402 B10R1.113 Cc1cccc(c1)C(Br)C 1P004E6B [0,1,0,0,1,0|1,0,1]=4 2403 B10R1.113 Cc1cccc(c1)C(C)C 1P003RXB [0,1,0,0,1,0|1,0,1]=4 2404 B10R1.113 Cc1cccc(c1)C(Cl)C 1P002CJO [0,1,0,0,1,0|1,0,1]=4 2405 B10R1.113 Cc1cccc(c1)C(N)C 1P00372B [0,1,0,0,1,0|1,0,1]=4 2406 B10R1.113 Cc1cccc(c1)C(N)C 1P00GATB [0,1,0,0,1,0|1,0,1]=4 2407 B10R1.113 Cc1cccc(c1)C(O)C 1P00FJ2F [0,1,0,0,1,0|0,0,2]=4 2408 B10R1.113 Cc1cccc(c1)N(C)C 1P003T22 [0,1,0,0,1,0|2,0,0]=4 2409 B10R1.113 Cc1cccc(c1)N(N)C 1P003EXI [0,1,0,0,1,0|2,0,0]=4 2410 B10R1.113 Cc1cccc(c1)S(=O)C 1P000ZR8 [0,1,0,0,1,0|1,0,0]=3 2411 B10R1.113 Cc1cccc(c1)S(=O)[O-] 1P00ASY9 [0,1,0,0,1,0|2,0,0]=4 2412 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P0019NW [0,1,0,0,1,0|1,0,1]=4 2413 B10R1.113 Cc1cccc(c1)[C@@H](N)C 1P00J3RI [0,1,0,0,1,0|1,0,1]=4 2414 B10R1.113 Cc1cccc(c1)[C@@H](O)C 1P00DKFI [0,1,0,0,1,0|0,0,2]=4 2415 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P000DMK [0,1,0,0,1,0|1,0,1]=4 2416 B10R1.113 Cc1cccc(c1)[C@H](N)C 1P0019NV [0,1,0,0,1,0|1,0,1]=4 2417 B10R1.113 Cc1cccc(c1)[C@H](O)C 1P00CLM5 [0,1,0,0,1,0|0,0,2]=4 2418 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 1P003A3U [0,1,0,0,1,0|2,0,0]=4 2419 B10R1.113 Cc1cccc(n1)C(=O)C 1P003GRV [0,1,0,0,1,0|1,0,0]=3 2420 B10R1.113 Cc1cccc(n1)C(=O)Cl 1P00F4ND [0,1,0,0,1,0|2,0,0]=4 2421 B10R1.113 Cc1cccc(n1)C(=O)N 1P00EMDK [0,1,0,0,1,0|2,0,0]=4 2422 B10R1.113 Cc1cccc(n1)C(=O)O 1P0034U5 [0,1,0,0,1,0|2,0,0]=4 2423 B10R1.113 Cc1ccnc(c1)C(=O)C 1P003GRN [0,1,0,0,1,0|1,0,0]=3 2424 B10R1.113 Cc1cncc(c1)C(=O)C 1P00CAT8 [0,1,0,0,1,0|1,0,0]=3 2425 B10R1.113 Cc1nccc(c1)C(=C)C 1P0019VT [0,1,0,0,1,0|2,0,0]=4 2426 B10R1.113 Cc1nccc(c1)C(=O)C 1P00BDBG [0,1,0,0,1,0|1,0,0]=3 2427 B10R1.113 Cc1nccc(c1)C(=O)N 1P00AKYZ [0,1,0,0,1,0|2,0,0]=4 2428 B10R1.113 Cc1nccc(c1)C(=O)O 1P0033UX [0,1,0,0,1,0|2,0,0]=4 2429 B10R1.113 Cc1nccc(n1)C(=O)C 1P00FAON [0,1,0,0,1,0|2,0,0]=4 2430 B10R1.113 Cc1ncnc(c1)C(=O)C 1P006MMZ [0,1,0,0,1,0|2,0,0]=4 2431 B10R1.113 ClC(=O)c1cc(Br)cnc1 1P003N1C [0,1,0,0,1,0|2,0,0]=4 2432 B10R1.113 Clc1cccc(c1)C(=C)C 1P00ATR4 [0,1,0,0,1,0|1,0,0]=3 2433 B10R1.113 Clc1cccc(c1)C(=N)N 1P003A6F [0,1,0,0,1,0|2,0,0]=4 2434 B10R1.113 Clc1cccc(c1)C(=O)Cl 1P00F3HP [0,1,0,0,1,0|1,0,0]=3 2435 B10R1.113 Clc1cccc(c1)C(=O)N 1P00E9KT [0,1,0,0,1,0|1,0,0]=3 2436 B10R1.113 Clc1cccc(c1)C(=O)O 1P003JR5 [0,1,0,0,1,0|1,0,0]=3 2437 B10R1.113 Clc1cccc(c1)C(=S)N 1P003JSG [0,1,0,0,1,0|1,1,0]=4 2438 B10R1.113 Clc1cccc(c1)C(Br)C 1P019X11 [0,1,0,0,1,0|1,0,1]=4 2439 B10R1.113 Clc1cccc(c1)C(Cl)C 1P01A1E4 [0,1,0,0,1,0|1,0,1]=4 2440 B10R1.113 Clc1cccc(c1)C(N)C 1P00C2DU [0,1,0,0,1,0|1,0,1]=4 2441 B10R1.113 Clc1cccc(c1)C(N)C 1P00CMAZ [0,1,0,0,1,0|1,0,1]=4 2442 B10R1.113 Clc1cccc(c1)C(O)C 1P003DDG [0,1,0,0,1,0|0,0,2]=4 2443 B10R1.113 Clc1cccc(c1)N(C)C 1P003JRK [0,1,0,0,1,0|2,0,0]=4 2444 B10R1.113 Clc1cccc(c1)S(=O)[O-] 1P01BEXC [0,1,0,0,1,0|2,0,0]=4 2445 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P003CZE [0,1,0,0,1,0|1,0,1]=4 2446 B10R1.113 Clc1cccc(c1)[C@@H](N)C 1P009ZW7 [0,1,0,0,1,0|1,0,1]=4 2447 B10R1.113 Clc1cccc(c1)[C@@H](O)C 1P009BSV [0,1,0,0,1,0|0,0,2]=4 2448 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P003CNL [0,1,0,0,1,0|1,0,1]=4 2449 B10R1.113 Clc1cccc(c1)[C@H](N)C 1P00955Y [0,1,0,0,1,0|1,0,1]=4 2450 B10R1.113 Clc1cccc(c1)[C@H](O)C 1P000QTO [0,1,0,0,1,0|0,0,2]=4 2451 B10R1.113 Clc1cccc(c1)[N+](=O)[O-] 1P007Q6W [0,1,0,0,1,0|2,0,0]=4 2452 B10R1.113 Clc1cccc(n1)C(=O)C 1P00APS1 [0,1,0,0,1,0|1,0,0]=3 2453 B10R1.113 Clc1cccc(n1)C(=O)Cl 1P0055OQ [0,1,0,0,1,0|2,0,0]=4 2454 B10R1.113 Clc1cccc(n1)C(=O)N 1P0067G9 [0,1,0,0,1,0|2,0,0]=4 2455 B10R1.113 Clc1cccc(n1)C(=O)O 1P00I91Z [0,1,0,0,1,0|2,0,0]=4 2456 B10R1.113 Clc1ccnc(c1)C(=O)Cl 1P00DEPJ [0,1,0,0,1,0|2,0,0]=4 2457 B10R1.113 Clc1cncc(c1)C(=O)Cl 1P004PP2 [0,1,0,0,1,0|2,0,0]=4 2458 B10R1.113 Clc1nccc(c1)C(=O)C 1P003HDL [0,1,0,0,1,0|1,0,0]=3 2459 B10R1.113 Clc1nccc(c1)C(=O)Cl 1P003HJ8 [0,1,0,0,1,0|2,0,0]=4 2460 B10R1.113 Clc1nccc(c1)C(=O)N 1P0003HM [0,1,0,0,1,0|2,0,0]=4 2461 B10R1.113 Clc1nccc(c1)C(=O)O 1P003HAQ [0,1,0,0,1,0|2,0,0]=4 2462 B10R1.113 Clc1nccc(n1)C(=O)C 1P000W9C [0,1,0,0,1,0|2,0,0]=4 2463 B10R1.113 Fc1cccc(c1)C(=C)C 1P01AC8N [0,1,0,0,1,0|1,0,0]=3 2464 B10R1.113 Fc1cccc(c1)C(=N)N 1P00FB1F [0,1,0,0,1,0|2,0,0]=4 2465 B10R1.113 Fc1cccc(c1)C(=N)N 1P00ID2X [0,1,0,0,1,0|2,0,0]=4 2466 B10R1.113 Fc1cccc(c1)C(=O)C 1P003JXP [0,1,0,0,1,0|0,0,0]=2 2467 B10R1.113 Fc1cccc(c1)C(=O)Cl 1P00HZZM [0,1,0,0,1,0|1,0,0]=3 2468 B10R1.113 Fc1cccc(c1)C(=O)F 1P028ERF [0,1,0,0,1,0|1,0,0]=3 2469 B10R1.113 Fc1cccc(c1)C(=O)N 1P00DES0 [0,1,0,0,1,0|1,0,0]=3 2470 B10R1.113 Fc1cccc(c1)C(=O)O 1P003JXV [0,1,0,0,1,0|1,0,0]=3 2471 B10R1.113 Fc1cccc(c1)C(=O)[O-] 1P00DAE1 [0,1,0,0,1,0|1,0,0]=3 2472 B10R1.113 Fc1cccc(c1)C(=S)N 1P00FB1I [0,1,0,0,1,0|1,1,0]=4 2473 B10R1.113 Fc1cccc(c1)C(Br)C 1P018SP2 [0,1,0,0,1,0|1,0,1]=4 2474 B10R1.113 Fc1cccc(c1)C(Cl)C 1P01AAJR [0,1,0,0,1,0|1,0,1]=4 2475 B10R1.113 Fc1cccc(c1)C(N)C 1P005HQ7 [0,1,0,0,1,0|1,0,1]=4 2476 B10R1.113 Fc1cccc(c1)C(N)C 1P01EII3 [0,1,0,0,1,0|1,0,1]=4 2477 B10R1.113 Fc1cccc(c1)C(O)C 1P003DDQ [0,1,0,0,1,0|0,0,2]=4 2478 B10R1.113 Fc1cccc(c1)N(C)C 1P002LEE [0,1,0,0,1,0|2,0,0]=4 2479 B10R1.113 Fc1cccc(c1)S(=O)[O-] 1P01BEXD [0,1,0,0,1,0|2,0,0]=4 2480 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P007HTX [0,1,0,0,1,0|1,0,1]=4 2481 B10R1.113 Fc1cccc(c1)[C@@H](N)C 1P00DA1C [0,1,0,0,1,0|1,0,1]=4 2482 B10R1.113 Fc1cccc(c1)[C@@H](O)C 1P000TCI [0,1,0,0,1,0|0,0,2]=4 2483 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P007HTW [0,1,0,0,1,0|1,0,1]=4 2484 B10R1.113 Fc1cccc(c1)[C@H](N)C 1P008OXD [0,1,0,0,1,0|1,0,1]=4 2485 B10R1.113 Fc1cccc(c1)[C@H](O)C 1P000TDQ [0,1,0,0,1,0|0,0,2]=4 2486 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] 1P003ESO [0,1,0,0,1,0|2,0,0]=4 2487 B10R1.113 Fc1cccc(n1)C(=O)C 1P006WGK [0,1,0,0,1,0|1,0,0]=3 2488 B10R1.113 Fc1cccc(n1)C(=O)N 1P00C7F7 [0,1,0,0,1,0|2,0,0]=4 2489 B10R1.113 Fc1cccc(n1)C(=O)O 1P003HSX [0,1,0,0,1,0|2,0,0]=4 2490 B10R1.113 Fc1nccc(c1)C(=O)C 1P008RVB [0,1,0,0,1,0|1,0,0]=3 2491 B10R1.113 Fc1nccc(c1)C(=O)Cl 1P00EEA5 [0,1,0,0,1,0|2,0,0]=4 2492 B10R1.113 Fc1nccc(c1)C(=O)N 1P01A8DW [0,1,0,0,1,0|2,0,0]=4 2493 B10R1.113 Fc1nccc(c1)C(=O)O 1P003HSL [0,1,0,0,1,0|2,0,0]=4 2494 B10R1.113 Ic1cccc(c1)C(=O)C 1P001K5K [0,1,0,0,1,0|0,0,0]=2 2495 B10R1.113 Ic1cccc(c1)C(=O)Cl 1P003K2B [0,1,0,0,1,0|1,0,0]=3 2496 B10R1.113 Ic1cccc(c1)C(=O)N 1P0085PW [0,1,0,0,1,0|1,0,0]=3 2497 B10R1.113 Ic1cccc(c1)C(=O)O 1P003K29 [0,1,0,0,1,0|1,0,0]=3 2498 B10R1.113 Ic1cccc(c1)C(=S)N 1P007C9W [0,1,0,0,1,0|1,1,0]=4 2499 B10R1.113 Ic1cccc(c1)C(Br)C 1P028E3J [0,1,0,0,1,0|1,0,1]=4 2500 B10R1.113 Ic1cccc(c1)C(C)C 1P002FFB [0,1,0,0,1,0|1,0,1]=4 2501 B10R1.113 Ic1cccc(c1)C(O)C 1P024HK1 [0,1,0,0,1,0|0,0,2]=4 2502 B10R1.113 Ic1cccc(c1)N(C)C 1P01HH2U [0,1,0,0,1,0|2,0,0]=4 2503 B10R1.113 Ic1cccc(c1)[N+](=O)[O-] 1P003395 [0,1,0,0,1,0|2,0,0]=4 2504 B10R1.113 Ic1cccc(n1)C(=O)O 1P00IAAK [0,1,0,0,1,0|2,0,0]=4 2505 B10R1.113 Ic1nccc(c1)C(=O)N 1P00C2N5 [0,1,0,0,1,0|2,0,0]=4 2506 B10R1.113 Ic1nccc(c1)C(=O)O 1P0033TU [0,1,0,0,1,0|2,0,0]=4 2507 B10R1.113 NC(=O)c1cc(Br)ccn1 1P00ECYG [0,1,0,0,1,0|2,0,0]=4 2508 B10R1.113 NC(=O)c1cc(Br)cnc1 1P002WR4 [0,1,0,0,1,0|2,0,0]=4 2509 B10R1.113 NC(=O)c1cc(Cl)ccn1 1P003LP2 [0,1,0,0,1,0|2,0,0]=4 2510 B10R1.113 NC(=O)c1cc(Cl)cnc1 1P00C4C5 [0,1,0,0,1,0|2,0,0]=4 2511 B10R1.113 NC(=O)c1cc(F)cnc1 1P003N8D [0,1,0,0,1,0|2,0,0]=4 2512 B10R1.113 NC(=O)c1cc(O)cnc1 1P000550 [0,1,0,0,1,0|2,0,0]=4 2513 B10R1.113 Nc1cc(cnc1)C(=O)O 1P003MV4 [0,1,0,0,1,0|2,0,0]=4 2514 B10R1.113 Nc1cc(ncc1)C(=O)O 1P00014A [0,1,0,0,1,0|2,0,0]=4 2515 B10R1.113 Nc1cc(ncc1)C(=O)O 1P000ZD8 [0,1,0,0,1,0|2,0,0]=4 2516 B10R1.113 Nc1cc(ncc1)C(=O)O 1P003L8Q [0,1,0,0,1,0|2,0,0]=4 2517 B10R1.113 Nc1cccc(c1)C(=C)C 1P01CAQU [0,1,0,0,1,0|1,0,0]=3 2518 B10R1.113 Nc1cccc(c1)C(=N)N 1P003JDV [0,1,0,0,1,0|2,0,0]=4 2519 B10R1.113 Nc1cccc(c1)C(=O)C 1P003JDU [0,1,0,0,1,0|0,0,0]=2 2520 B10R1.113 Nc1cccc(c1)C(=O)N 1P0037SS [0,1,0,0,1,0|1,0,0]=3 2521 B10R1.113 Nc1cccc(c1)C(=O)O 1P003421 [0,1,0,0,1,0|1,0,0]=3 2522 B10R1.113 Nc1cccc(c1)C(=O)O 1P003JDW [0,1,0,0,1,0|1,0,0]=3 2523 B10R1.113 Nc1cccc(c1)C(=O)O 1P003JDX [0,1,0,0,1,0|1,0,0]=3 2524 B10R1.113 Nc1cccc(c1)C(=S)N 1P005DAW [0,1,0,0,1,0|1,1,0]=4 2525 B10R1.113 Nc1cccc(c1)C(C)C 1P003JE5 [0,1,0,0,1,0|1,0,1]=4 2526 B10R1.113 Nc1cccc(c1)C(F)C 1P028JPG [0,1,0,0,1,0|1,0,1]=4 2527 B10R1.113 Nc1cccc(c1)C(N)C 1P000U2U [0,1,0,0,1,0|1,0,1]=4 2528 B10R1.113 Nc1cccc(c1)C(O)C 1P002OXT [0,1,0,0,1,0|0,0,2]=4 2529 B10R1.113 Nc1cccc(c1)N(C)C 1P003T21 [0,1,0,0,1,0|2,0,0]=4 2530 B10R1.113 Nc1cccc(c1)N(C)C 1P00BFYZ [0,1,0,0,1,0|2,0,0]=4 2531 B10R1.113 Nc1cccc(c1)S(=O)C 1P019WQF [0,1,0,0,1,0|1,0,0]=3 2532 B10R1.113 Nc1cccc(c1)S(=O)C 1P01APKC [0,1,0,0,1,0|1,0,0]=3 2533 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P003CZD [0,1,0,0,1,0|1,0,1]=4 2534 B10R1.113 Nc1cccc(c1)[C@@H](N)C 1P01DE99 [0,1,0,0,1,0|1,0,1]=4 2535 B10R1.113 Nc1cccc(c1)[C@@H](O)C 1P01DZPI [0,1,0,0,1,0|0,0,2]=4 2536 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P0090GW [0,1,0,0,1,0|1,0,1]=4 2537 B10R1.113 Nc1cccc(c1)[C@H](N)C 1P01TBU1 [0,1,0,0,1,0|1,0,1]=4 2538 B10R1.113 Nc1cccc(c1)[C@H](O)C 1P01EMV6 [0,1,0,0,1,0|0,0,2]=4 2539 B10R1.113 Nc1cccc(c1)[N+](=O)[O-] 1P003A52 [0,1,0,0,1,0|2,0,0]=4 2540 B10R1.113 Nc1cccc(c1)[N+](=O)[O-] 1P003K9M [0,1,0,0,1,0|2,0,0]=4 2541 B10R1.113 Nc1cccc(n1)C(=O)C 1P0096CI [0,1,0,0,1,0|1,0,0]=3 2542 B10R1.113 Nc1cccc(n1)C(=O)N 1P009WEN [0,1,0,0,1,0|2,0,0]=4 2543 B10R1.113 Nc1cccc(n1)C(=O)O 1P002OE4 [0,1,0,0,1,0|2,0,0]=4 2544 B10R1.113 Nc1ccnc(c1)C(=O)N 1P0001IS [0,1,0,0,1,0|2,0,0]=4 2545 B10R1.113 Nc1cncc(c1)C(=O)N 1P003MV3 [0,1,0,0,1,0|2,0,0]=4 2546 B10R1.113 Nc1nccc(c1)C(=O)C 1P00CL4F [0,1,0,0,1,0|1,0,0]=3 2547 B10R1.113 Nc1nccc(c1)C(=O)N 1P0033K1 [0,1,0,0,1,0|2,0,0]=4 2548 B10R1.113 Nc1nccc(c1)C(=O)O 1P003H05 [0,1,0,0,1,0|2,0,0]=4 2549 B10R1.113 Nc1nccc(c1)C(=O)O 1P00J1XX [0,1,0,0,1,0|2,0,0]=4 2550 B10R1.113 O=c1cc[nH]c(c1)C(=O)O 1P00IKJ5 [0,1,0,0,1,0|2,0,0]=4 2551 B10R1.113 O=c1cccc(o1)C(=O)O 1P005Q2O [0,1,0,0,1,0|2,0,0]=4 2552 B10R1.113 O=c1ccoc(c1)C(=O)O 1P003PI6 [0,1,0,0,1,0|2,0,0]=4 2553 B10R1.113 O=n1cccc(c1)C(=O)O 1P003TKE [0,1,0,0,1,0|2,0,0]=4 2554 B10R1.113 OC(=O)c1cc(Br)ccn1 1P0031O8 [0,1,0,0,1,0|2,0,0]=4 2555 B10R1.113 OC(=O)c1cc(Br)cnc1 1P002K2H [0,1,0,0,1,0|2,0,0]=4 2556 B10R1.113 OC(=O)c1cc(Cl)ccn1 1P003LP3 [0,1,0,0,1,0|2,0,0]=4 2557 B10R1.113 OC(=O)c1cc(Cl)cnc1 1P007ONC [0,1,0,0,1,0|2,0,0]=4 2558 B10R1.113 OC(=O)c1cc(F)ccn1 1P003A14 [0,1,0,0,1,0|2,0,0]=4 2559 B10R1.113 OC(=O)c1cc(F)cnc1 1P0034QK [0,1,0,0,1,0|2,0,0]=4 2560 B10R1.113 OC(=O)c1cc(I)ccn1 1P00I8FB [0,1,0,0,1,0|2,0,0]=4 2561 B10R1.113 OC(=O)c1cc(I)cnc1 1P00AKQU [0,1,0,0,1,0|2,0,0]=4 2562 B10R1.113 OC(=O)c1cc(S)cnc1 1P01C2E3 [0,1,0,0,1,0|2,0,0]=4 2563 B10R1.113 OC(=O)c1cc[nH]c(=S)c1 1P0039DI [0,1,0,0,1,0|2,0,0]=4 2564 B10R1.113 OC(=O)c1cccc(=O)[nH]1 1P003NP5 [0,1,0,0,1,0|2,0,0]=4 2565 B10R1.113 OC(=O)c1cccc(=S)[nH]1 1P001F54 [0,1,0,0,1,0|2,0,0]=4 2566 B10R1.113 Oc1cccc(c1)C(=N)N 1P00EEVR [0,1,0,0,1,0|2,0,0]=4 2567 B10R1.113 Oc1cccc(c1)C(=O)C 1P003K0U [0,1,0,0,1,0|0,0,0]=2 2568 B10R1.113 Oc1cccc(c1)C(=O)N 1P0037IV [0,1,0,0,1,0|1,0,0]=3 2569 B10R1.113 Oc1cccc(c1)C(=O)O 1P00346R [0,1,0,0,1,0|1,0,0]=3 2570 B10R1.113 Oc1cccc(c1)C(=O)[O-] 1P003URS [0,1,0,0,1,0|1,0,0]=3 2571 B10R1.113 Oc1cccc(c1)C(=S)N 1P007YNT [0,1,0,0,1,0|1,1,0]=4 2572 B10R1.113 Oc1cccc(c1)C(C)C 1P003478 [0,1,0,0,1,0|1,0,1]=4 2573 B10R1.113 Oc1cccc(c1)C(N)C 1P00ECSX [0,1,0,0,1,0|1,0,1]=4 2574 B10R1.113 Oc1cccc(c1)C(N)C 1P019V4B [0,1,0,0,1,0|1,0,1]=4 2575 B10R1.113 Oc1cccc(c1)C(O)C 1P003DDU [0,1,0,0,1,0|0,0,2]=4 2576 B10R1.113 Oc1cccc(c1)N(C)C 1P0037BJ [0,1,0,0,1,0|2,0,0]=4 2577 B10R1.113 Oc1cccc(c1)S(=O)C 1P001NIU [0,1,0,0,1,0|1,0,0]=3 2578 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P000LS2 [0,1,0,0,1,0|1,0,1]=4 2579 B10R1.113 Oc1cccc(c1)[C@@H](N)C 1P024G1P [0,1,0,0,1,0|1,0,1]=4 2580 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00DG5L [0,1,0,0,1,0|1,0,1]=4 2581 B10R1.113 Oc1cccc(c1)[C@H](N)C 1P00G7LK [0,1,0,0,1,0|1,0,1]=4 2582 B10R1.113 Oc1cccc(c1)[C@H](O)C 1P00EL2Y [0,1,0,0,1,0|0,0,2]=4 2583 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] 1P00DEND [0,1,0,0,1,0|2,0,0]=4 2584 B10R1.113 Oc1cccc(n1)C(=O)N 1P01DD88 [0,1,0,0,1,0|2,0,0]=4 2585 B10R1.113 Oc1ccnc(c1)C(=O)O 1P0034J9 [0,1,0,0,1,0|2,0,0]=4 2586 B10R1.113 Oc1cncc(c1)C(=O)O 1P002VC0 [0,1,0,0,1,0|2,0,0]=4 2587 B10R1.113 Oc1nccc(c1)C(=O)O 1P0033TH [0,1,0,0,1,0|2,0,0]=4 2588 B10R1.113 Sc1cccc(c1)C(=O)C 1P01AK0X [0,1,0,0,1,0|0,0,0]=2 2589 B10R1.113 Sc1cccc(c1)C(=O)N 1P00EIKO [0,1,0,0,1,0|1,0,0]=3 2590 B10R1.113 Sc1cccc(c1)C(=O)O 1P003K32 [0,1,0,0,1,0|1,0,0]=3 2591 B10R1.113 Sc1cccc(c1)N(C)C 1P00C8NI [0,1,0,0,1,0|2,0,0]=4 2592 B10R1.113 Sc1cccc(c1)[N+](=O)[O-] 1P00CIK9 [0,1,0,0,1,0|2,0,0]=4 2593 B10R1.113 [O-][n+]1cccc(c1)C(=O)C 1P001HRT [0,1,0,0,1,0|1,0,0]=3 2594 B10R1.113 [O-][n+]1cccc(c1)C(=O)N 1P002C45 [0,1,0,0,1,0|2,0,0]=4 2595 B10R1.27 CCC(=O)Cc1ccco1 1P00C8VQ [0,1,0,0,1,0|2,0,0]=4 2596 B10R1.27 CCC(=O)Cc1cccs1 1P01ABJV [0,1,0,0,1,0|2,0,0]=4 2597 B10R1.27 COC(=O)Cc1ccc[nH]1 1P01GFU2 [0,1,0,0,1,0|2,0,0]=4 2598 B10R1.27 COC(=O)Cc1cccs1 1P003S5W [0,1,0,0,1,0|2,0,0]=4 2599 B10R1.27 COC(=O)Cc1cocc1 1P00F61O [0,1,0,0,1,0|2,0,0]=4 2600 B10R1.27 COC(=O)Cc1cscc1 1P003SJH [0,1,0,0,1,0|2,0,0]=4 2601 B10R1.27 COC(=O)Cn1cccc1 1P006VIC [0,1,0,0,1,0|2,0,0]=4 2602 B10R1.27 O=CC(=Cc1ccco1)C 1P007UYL [0,1,0,0,1,0|2,0,0]=4 2603 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1P01A4BO [0,1,0,0,1,0|2,0,0]=4 2604 B10R1.54 CC(=O)Nc1ccc(s1)Br 1P005M4X [0,1,0,0,1,0|2,0,0]=4 2605 B10R1.54 CC(=O)OC1C=CC(=O)C1 1P008P5O [0,1,0,0,1,0|0,0,2]=4 2606 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 1P00392T [0,1,0,0,1,0|0,0,2]=4 2607 B12R1.21 CC(=C)CNc1ccc(cc1)Cl 1P01A46F [0,1,0,0,0,1|2,0,0]=4 2608 B12R1.21 CC(=C)COc1ccc(cc1)Br 1P01B1YY [0,1,0,0,0,1|1,0,0]=3 2609 B12R1.21 CC(=C)COc1ccc(cc1)N 1P00GU9R [0,1,0,0,0,1|1,0,0]=3 2610 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [0,1,0,0,0,1|1,0,0]=3 2611 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1P00C99Q [0,1,0,0,0,1|1,0,0]=3 2612 B12R1.21 CC(=O)CCc1ccc(cc1)F 1P00VSVS [0,1,0,0,0,1|1,0,0]=3 2613 B12R1.21 CC(=O)CCc1ccc(cc1)I 1P01BGX7 [0,1,0,0,0,1|1,0,0]=3 2614 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [0,1,0,0,0,1|1,0,0]=3 2615 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [0,1,0,0,0,1|0,0,0]=2 2616 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [0,1,0,0,0,1|0,1,0]=3 2617 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1P003CC2 [0,1,0,0,0,1|0,1,0]=3 2618 B12R1.21 CC(=O)CSc1ccc(cc1)F 1P002ZJR [0,1,0,0,0,1|0,1,0]=3 2619 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1P00H519 [0,1,0,0,0,1|1,0,0]=3 2620 B12R1.21 CC(=O)NCc1ccc(cc1)F 1P004QJ2 [0,1,0,0,0,1|1,0,0]=3 2621 B12R1.21 CC(=O)NCc1ccc(cc1)N 1P01AIH0 [0,1,0,0,0,1|1,0,0]=3 2622 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1P027U4J [0,1,0,0,0,1|2,0,0]=4 2623 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1P0021FN [0,1,0,0,0,1|2,0,0]=4 2624 B12R1.21 CC(=O)NNc1ccc(cc1)Br 1P00B502 [0,1,0,0,0,1|1,0,0]=3 2625 B12R1.21 CC(=O)NNc1ccc(cc1)F 1P01BY4U [0,1,0,0,0,1|1,0,0]=3 2626 B12R1.21 CC(=O)OCc1ccc(cc1)C 1P003M83 [0,1,0,0,0,1|0,0,0]=2 2627 B12R1.21 CC(=O)OCc1ccc(cc1)Cl 1P003LNI [0,1,0,0,0,1|0,0,0]=2 2628 B12R1.21 CC(=O)OCc1ccc(cn1)O 1P028BI5 [0,1,0,0,0,1|1,0,0]=3 2629 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Br 1P00CMW7 [0,1,0,0,0,1|1,0,0]=3 2630 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl 1P003LNL [0,1,0,0,0,1|1,0,0]=3 2631 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O 1P003LZY [0,1,0,0,0,1|1,0,0]=3 2632 B12R1.21 CC(=O)\C=C\c1ccc(cn1)C 1P00HXBD [0,1,0,0,0,1|2,0,0]=4 2633 B12R1.21 CC(COc1ccc(cc1)Br)C 1P0031MO [0,1,0,0,0,1|1,0,1]=4 2634 B12R1.21 CC(COc1ccc(cc1)C)N 1P00EEKI [0,1,0,0,0,1|1,0,1]=4 2635 B12R1.21 CC(COc1ccc(cc1)C)O 1P003DH6 [0,1,0,0,0,1|0,0,2]=4 2636 B12R1.21 CC(COc1ccc(cc1)Cl)N 1P00C4ZY [0,1,0,0,0,1|1,0,1]=4 2637 B12R1.21 CC(COc1ccc(cc1)Cl)N 1P00CCM0 [0,1,0,0,0,1|1,0,1]=4 2638 B12R1.21 CC(COc1ccc(cc1)F)N 1P009A6F [0,1,0,0,0,1|1,0,1]=4 2639 B12R1.21 CC(COc1ccc(cc1)F)N 1P019WZK [0,1,0,0,0,1|1,0,1]=4 2640 B12R1.21 CC(COc1ccc(cc1)N)C 1P00DBCF [0,1,0,0,0,1|1,0,1]=4 2641 B12R1.21 CC(COc1ccc(cc1)N)O 1P028H9H [0,1,0,0,0,1|0,0,2]=4 2642 B12R1.21 CC(COc1ccc(cc1)O)C 1P00IAGW [0,1,0,0,0,1|1,0,1]=4 2643 B12R1.21 CC(OCc1ccc(cc1)Br)C 1P0068SS [0,1,0,0,0,1|1,0,1]=4 2644 B12R1.21 CC(OCc1ccc(cc1)N)C 1P019XSE [0,1,0,0,0,1|1,0,1]=4 2645 B12R1.21 ClC(=O)CCc1ccc(cc1)Cl 1P00DNXA [0,1,0,0,0,1|2,0,0]=4 2646 B12R1.21 ClC(=O)COc1ccc(cc1)C 1P001O5A [0,1,0,0,0,1|1,0,0]=3 2647 B12R1.21 ClC(=O)COc1ccc(cc1)Cl 1P003LOG [0,1,0,0,0,1|1,0,0]=3 2648 B12R1.21 ClC(=O)OCc1ccc(cc1)Br 1P00F0AY [0,1,0,0,0,1|1,0,0]=3 2649 B12R1.21 ClC(=O)OCc1ccc(cc1)F 1P01BKOV [0,1,0,0,0,1|1,0,0]=3 2650 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)F 1P003LW1 [0,1,0,0,0,1|2,0,0]=4 2651 B12R1.21 FC(=COc1ccc(cc1)N)F 1P028CUC [0,1,0,0,0,1|2,0,0]=4 2652 B12R1.21 NC(=N)COc1ccc(cc1)Br 1P00J1V8 [0,1,0,0,0,1|2,0,0]=4 2653 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl 1P0023HB [0,1,0,0,0,1|2,0,0]=4 2654 B12R1.21 NC(=O)CCc1ccc(cc1)Br 1P01EWZG [0,1,0,0,0,1|2,0,0]=4 2655 B12R1.21 NC(=O)CCc1ccc(cc1)F 1P00BLKP [0,1,0,0,0,1|2,0,0]=4 2656 B12R1.21 NC(=O)CCc1ccc(cc1)N 1P01AAT8 [0,1,0,0,0,1|2,0,0]=4 2657 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [0,1,0,0,0,1|2,0,0]=4 2658 B12R1.21 NC(=O)CNc1ccc(cc1)Br 1P027YGG [0,1,0,0,0,1|2,0,0]=4 2659 B12R1.21 NC(=O)CNc1ccc(cc1)F 1P004Y17 [0,1,0,0,0,1|2,0,0]=4 2660 B12R1.21 NC(=O)COc1ccc(cc1)Br 1P00C8XG [0,1,0,0,0,1|1,0,0]=3 2661 B12R1.21 NC(=O)COc1ccc(cc1)Cl 1P00CRWF [0,1,0,0,0,1|1,0,0]=3 2662 B12R1.21 NC(=O)COc1ccc(cc1)N 1P00EAVN [0,1,0,0,0,1|1,0,0]=3 2663 B12R1.21 NC(=O)COc1ccc(cc1)O 1P01AKK7 [0,1,0,0,0,1|1,0,0]=3 2664 B12R1.21 NC(=O)NCc1ccc(cc1)C 1P00DD2R [0,1,0,0,0,1|2,0,0]=4 2665 B12R1.21 NC(=O)NCc1ccc(cc1)N 1P00242D [0,1,0,0,0,1|2,0,0]=4 2666 B12R1.21 NC(=O)\C=C\c1ccc(cc1)Br 1P00CEQT [0,1,0,0,0,1|2,0,0]=4 2667 B12R1.21 NC(=S)COc1ccc(cc1)Br 1P01DHZG [0,1,0,0,0,1|1,1,0]=4 2668 B12R1.21 NC(=S)COc1ccc(cc1)C 1P019NW2 [0,1,0,0,0,1|1,1,0]=4 2669 B12R1.21 NC(=S)COc1ccc(cc1)Cl 1P003FCC [0,1,0,0,0,1|1,1,0]=4 2670 B12R1.21 NC(=S)COc1ccc(cc1)F 1P00CJP5 [0,1,0,0,0,1|1,1,0]=4 2671 B12R1.21 OC(=O)C#Cc1ccc(cc1)Br 1P00IMU7 [0,1,0,0,0,1|2,0,0]=4 2672 B12R1.21 OC(=O)C#Cc1ccc(cc1)C 1P006ZJ0 [0,1,0,0,0,1|2,0,0]=4 2673 B12R1.21 OC(=O)C#Cc1ccc(cc1)Cl 1P00CJ82 [0,1,0,0,0,1|2,0,0]=4 2674 B12R1.21 OC(=O)C#Cc1ccc(cc1)F 1P005U7Z [0,1,0,0,0,1|2,0,0]=4 2675 B12R1.21 OC(=O)C=Cc1ccc(cc1)Br 1P000QJ3 [0,1,0,0,0,1|2,0,0]=4 2676 B12R1.21 OC(=O)C=Cc1ccc(cc1)C 1P003M8E [0,1,0,0,0,1|2,0,0]=4 2677 B12R1.21 OC(=O)C=Cc1ccc(cc1)Cl 1P003LNV [0,1,0,0,0,1|2,0,0]=4 2678 B12R1.21 OC(=O)C=Cc1ccc(cc1)F 1P00I90C [0,1,0,0,0,1|2,0,0]=4 2679 B12R1.21 OC(=O)C=Cc1ccc(cc1)I 1P00BZS1 [0,1,0,0,0,1|2,0,0]=4 2680 B12R1.21 OC(=O)C=Cc1ccc(cc1)N 1P0034D9 [0,1,0,0,0,1|2,0,0]=4 2681 B12R1.21 OC(=O)C=Cc1ccc(cc1)O 1P005VCI [0,1,0,0,0,1|2,0,0]=4 2682 B12R1.21 OC(=O)CCc1ccc(cc1)Br 1P001V8C [0,1,0,0,0,1|2,0,0]=4 2683 B12R1.21 OC(=O)CCc1ccc(cc1)C 1P001N4H [0,1,0,0,0,1|2,0,0]=4 2684 B12R1.21 OC(=O)CCc1ccc(cc1)Cl 1P0039CX [0,1,0,0,0,1|2,0,0]=4 2685 B12R1.21 OC(=O)CCc1ccc(cc1)F 1P0033X5 [0,1,0,0,0,1|2,0,0]=4 2686 B12R1.21 OC(=O)CCc1ccc(cc1)I 1P001V8D [0,1,0,0,0,1|2,0,0]=4 2687 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P007OWB [0,1,0,0,0,1|2,0,0]=4 2688 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P01XLU7 [0,1,0,0,0,1|2,0,0]=4 2689 B12R1.21 OC(=O)CCc1ccc(cc1)O 1P003IL8 [0,1,0,0,0,1|2,0,0]=4 2690 B12R1.21 OC(=O)CCc1ccc(cc1)S 1P003M2K [0,1,0,0,0,1|2,0,0]=4 2691 B12R1.21 OC(=O)CNc1ccc(cc1)C 1P00BGWF [0,1,0,0,0,1|2,0,0]=4 2692 B12R1.21 OC(=O)CNc1ccc(cc1)Cl 1P00DDBO [0,1,0,0,0,1|2,0,0]=4 2693 B12R1.21 OC(=O)CNc1ccc(cc1)F 1P00C911 [0,1,0,0,0,1|2,0,0]=4 2694 B12R1.21 OC(=O)CNc1ccc(cc1)O 1P00170H [0,1,0,0,0,1|2,0,0]=4 2695 B12R1.21 OC(=O)COc1ccc(cc1)Br 1P002GZL [0,1,0,0,0,1|1,0,0]=3 2696 B12R1.21 OC(=O)COc1ccc(cc1)C 1P003CD3 [0,1,0,0,0,1|1,0,0]=3 2697 B12R1.21 OC(=O)COc1ccc(cc1)Cl 1P00170G [0,1,0,0,0,1|1,0,0]=3 2698 B12R1.21 OC(=O)COc1ccc(cc1)F 1P003LWI [0,1,0,0,0,1|1,0,0]=3 2699 B12R1.21 OC(=O)COc1ccc(cc1)I 1P002GZK [0,1,0,0,0,1|1,0,0]=3 2700 B12R1.21 OC(=O)COc1ccc(cc1)N 1P001TCY [0,1,0,0,0,1|1,0,0]=3 2701 B12R1.21 OC(=O)COc1ccc(cc1)N 1P007PL9 [0,1,0,0,0,1|1,0,0]=3 2702 B12R1.21 OC(=O)COc1ccc(cc1)O 1P002GYE [0,1,0,0,0,1|1,0,0]=3 2703 B12R1.21 OC(=O)COc1ccc(cn1)Br 1P005J49 [0,1,0,0,0,1|2,0,0]=4 2704 B12R1.21 OC(=O)COc1ccc(cn1)Cl 1P01DTUD [0,1,0,0,0,1|2,0,0]=4 2705 B12R1.21 OC(=O)COc1ccc(cn1)F 1P01DTVR [0,1,0,0,0,1|2,0,0]=4 2706 B12R1.21 OC(=O)COc1ccc(nc1)Br 1P02841C [0,1,0,0,0,1|2,0,0]=4 2707 B12R1.21 OC(=O)COc1ccc(nc1)Cl 1P024H48 [0,1,0,0,0,1|2,0,0]=4 2708 B12R1.21 OC(=O)COc1ccc(nc1)F 1P028I03 [0,1,0,0,0,1|2,0,0]=4 2709 B12R1.21 OC(=O)CSc1ccc(cc1)Br 1P00CM5B [0,1,0,0,0,1|1,1,0]=4 2710 B12R1.21 OC(=O)CSc1ccc(cc1)C 1P003M95 [0,1,0,0,0,1|1,1,0]=4 2711 B12R1.21 OC(=O)CSc1ccc(cc1)Cl 1P003F54 [0,1,0,0,0,1|1,1,0]=4 2712 B12R1.21 OC(=O)CSc1ccc(cc1)F 1P003CCK [0,1,0,0,0,1|1,1,0]=4 2713 B12R1.21 OC(=O)CSc1ccc(cc1)N 1P003FBE [0,1,0,0,0,1|1,1,0]=4 2714 B12R1.21 OC(=O)CSc1ccc(cc1)O 1P00D7Q2 [0,1,0,0,0,1|1,1,0]=4 2715 B12R1.21 OC(=O)\C=C\c1ccc(cc1)C 1P0038Z7 [0,1,0,0,0,1|2,0,0]=4 2716 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl 1P00GS50 [0,1,0,0,0,1|2,0,0]=4 2717 B12R1.21 OC(=O)\C=C\c1ccc(cc1)F 1P003CH4 [0,1,0,0,0,1|2,0,0]=4 2718 B12R1.21 OC(=O)\C=C\c1ccc(cc1)I 1P00J0EA [0,1,0,0,0,1|2,0,0]=4 2719 B12R1.21 OC(=O)\C=C\c1ccc(cc1)N 1P0021LJ [0,1,0,0,0,1|2,0,0]=4 2720 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O 1P00I9F1 [0,1,0,0,0,1|2,0,0]=4 2721 B12R1.21 [O-]C(=O)COc1ccc(cc1)Cl 1P0013JC [0,1,0,0,0,1|1,0,0]=3 2722 B12R1.21 [O-]C(=O)COc1ccc(cn1)Cl 1P024905 [0,1,0,0,0,1|2,0,0]=4 2723 B12R1.21 [O-]C(=O)CSc1ccc(cc1)F 1P019O6J [0,1,0,0,0,1|1,1,0]=4 2724 B12R1.27 BrCC(=O)CCc1ccccc1 1P003ELT [0,1,0,0,0,1|1,0,0]=3 2725 B12R1.27 BrCC(=O)COc1ccccc1 1P01A1CA [0,1,0,0,0,1|0,0,0]=2 2726 B12R1.27 BrCC(=O)NCc1ccccc1 1P00C2NQ [0,1,0,0,0,1|1,0,0]=3 2727 B12R1.27 BrCC(=O)OCc1ccccc1 1P003OK7 [0,1,0,0,0,1|0,0,0]=2 2728 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [0,1,0,0,0,1|1,0,1]=4 2729 B12R1.27 C#CC(=O)CCc1ccccc1 1P01BEL7 [0,1,0,0,0,1|1,0,1]=4 2730 B12R1.27 C#CC(=O)NCc1ccccc1 1P008F4K [0,1,0,0,0,1|1,0,1]=4 2731 B12R1.27 C#CC(=O)OCc1ccccc1 1P001K2Y [0,1,0,0,0,1|0,0,1]=3 2732 B12R1.27 C=CC(=O)NCc1ccccc1 1P00120N [0,1,0,0,0,1|1,0,1]=4 2733 B12R1.27 C=CC(=O)OCc1ccccc1 1P002QEW [0,1,0,0,0,1|0,0,1]=3 2734 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [0,1,0,0,0,1|1,0,0]=3 2735 B12R1.27 CCC(=O)NNc1ccccc1 1P002JFD [0,1,0,0,0,1|1,0,0]=3 2736 B12R1.27 CCC(=O)OCc1ccccc1 1P0016ZO [0,1,0,0,0,1|0,0,0]=2 2737 B12R1.27 CCC(COc1ccccc1)N 1P00BOHB [0,1,0,0,0,1|1,0,1]=4 2738 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [0,1,0,0,0,1|1,0,0]=3 2739 B12R1.27 CNC(=O)CSc1ccccc1 1P01C2IN [0,1,0,0,0,1|0,1,0]=3 2740 B12R1.27 CNC(=O)OCc1ccccc1 1P00BG3C [0,1,0,0,0,1|0,0,0]=2 2741 B12R1.27 COC(=O)C#Cc1ccccc1 1P003SIQ [0,1,0,0,0,1|1,0,0]=3 2742 B12R1.27 COC(=O)C#Cc1ccccn1 1P003S61 [0,1,0,0,0,1|2,0,0]=4 2743 B12R1.27 COC(=O)C#Cc1cccnc1 1P003S62 [0,1,0,0,0,1|2,0,0]=4 2744 B12R1.27 COC(=O)C=Cc1ccccc1 1P00HADA [0,1,0,0,0,1|1,0,0]=3 2745 B12R1.27 COC(=O)C=Cc1ccccn1 1P00I9JX [0,1,0,0,0,1|2,0,0]=4 2746 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [0,1,0,0,0,1|1,0,0]=3 2747 B12R1.27 COC(=O)CCc1ccccn1 1P002X42 [0,1,0,0,0,1|2,0,0]=4 2748 B12R1.27 COC(=O)CCc1cccnc1 1P003S63 [0,1,0,0,0,1|2,0,0]=4 2749 B12R1.27 COC(=O)CCc1ccncc1 1P00GTYO [0,1,0,0,0,1|2,0,0]=4 2750 B12R1.27 COC(=O)CNc1ccccc1 1P00CCQB [0,1,0,0,0,1|1,0,0]=3 2751 B12R1.27 COC(=O)CNc1ccccn1 1P0002A2 [0,1,0,0,0,1|2,0,0]=4 2752 B12R1.27 COC(=O)COc1ccccc1 1P003SIO [0,1,0,0,0,1|0,0,0]=2 2753 B12R1.27 COC(=O)CSc1ccccc1 1P003RZH [0,1,0,0,0,1|0,1,0]=3 2754 B12R1.27 COC(=O)NCc1ccccc1 1P00EDGO [0,1,0,0,0,1|1,0,0]=3 2755 B12R1.27 COC(=O)\C=C\c1ccccc1 1P0035PW [0,1,0,0,0,1|1,0,0]=3 2756 B12R1.27 COC(=O)\C=C\c1cccnc1 1P005GUE [0,1,0,0,0,1|2,0,0]=4 2757 B12R1.27 COC(=O)\C=C\c1ccncc1 1P005EUS [0,1,0,0,0,1|2,0,0]=4 2758 B12R1.27 ClCC(=O)CCc1ccccc1 1P002K5O [0,1,0,0,0,1|1,0,0]=3 2759 B12R1.27 ClCC(=O)COc1ccccc1 1P005WAY [0,1,0,0,0,1|0,0,0]=2 2760 B12R1.27 ClCC(=O)NCc1ccccc1 1P003T7T [0,1,0,0,0,1|1,0,0]=3 2761 B12R1.27 ClCC(=O)NCc1ccccn1 1P019JXK [0,1,0,0,0,1|2,0,0]=4 2762 B12R1.27 ClCC(=O)NCc1cccnc1 1P01ABI8 [0,1,0,0,0,1|2,0,0]=4 2763 B12R1.27 ClCC(=O)NCc1ccncc1 1P01DFU4 [0,1,0,0,0,1|2,0,0]=4 2764 B12R1.27 ClCC(=O)NNc1ccccn1 1P019P6B [0,1,0,0,0,1|2,0,0]=4 2765 B12R1.27 ClCC(=O)OCc1ccccc1 1P001CDL [0,1,0,0,0,1|0,0,0]=2 2766 B12R1.27 FCC(COc1ccccc1)O 1P005I7E [0,1,0,0,0,1|0,0,2]=4 2767 B12R1.27 N#CC(=O)OCc1ccccc1 1P003OKR [0,1,0,0,0,1|0,0,1]=3 2768 B12R1.27 NCC(=O)CCc1ccccc1 1P028L4B [0,1,0,0,0,1|1,0,0]=3 2769 B12R1.27 NCC(=O)NCc1ccccc1 1P0029W4 [0,1,0,0,0,1|1,0,0]=3 2770 B12R1.27 NCC(=O)NCc1ccccc1 1P00CM9R [0,1,0,0,0,1|1,0,0]=3 2771 B12R1.27 NCC(=O)NCc1ccccn1 1P00BL9G [0,1,0,0,0,1|2,0,0]=4 2772 B12R1.27 NCC(=O)NCc1ccccn1 1P019NOX [0,1,0,0,0,1|2,0,0]=4 2773 B12R1.27 NCC(=O)NCc1ccncc1 1P00A2Y9 [0,1,0,0,0,1|2,0,0]=4 2774 B12R1.27 NCC(=O)NCc1ccncc1 1P0291E8 [0,1,0,0,0,1|2,0,0]=4 2775 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNQ [0,1,0,0,0,1|0,0,0]=2 2776 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNT [0,1,0,0,0,1|0,0,0]=2 2777 B12R1.27 NCC(=O)OCc1ccccc1 1P002P9Z [0,1,0,0,0,1|0,0,0]=2 2778 B12R1.27 NCC(=O)SCc1ccccc1 1P021MDH [0,1,0,0,0,1|0,1,0]=3 2779 B12R1.27 NCC(COc1ccccc1)C 1P027UPS [0,1,0,0,0,1|1,0,1]=4 2780 B12R1.27 NCC(COc1ccccc1)O 1P0071Q2 [0,1,0,0,0,1|0,0,2]=4 2781 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [0,1,0,0,0,1|1,0,1]=4 2782 B12R1.27 NNC(=O)CCc1ccccc1 1P00BZPV [0,1,0,0,0,1|2,0,0]=4 2783 B12R1.27 NNC(=O)COc1ccccc1 1P00D9BF [0,1,0,0,0,1|1,0,0]=3 2784 B12R1.27 NNC(=O)NCc1ccccc1 1P00AVUU [0,1,0,0,0,1|2,0,0]=4 2785 B12R1.27 NNC(=O)OCc1ccccc1 1P0037SQ [0,1,0,0,0,1|1,0,0]=3 2786 B12R1.27 NNC(=O)OCc1ccccc1 1P00BFD7 [0,1,0,0,0,1|1,0,0]=3 2787 B12R1.27 NNC(COc1ccccc1)C 1P01BCUE [0,1,0,0,0,1|1,0,1]=4 2788 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [0,1,0,0,0,1|1,0,1]=4 2789 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [0,1,0,0,0,1|0,0,1]=3 2790 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [0,1,0,0,0,1|2,0,0]=4 2791 B12R1.27 OCC(=O)NCc1ccccc1 1P00AL9D [0,1,0,0,0,1|1,0,0]=3 2792 B12R1.27 OCC(=O)OCc1ccccc1 1P0030DU [0,1,0,0,0,1|0,0,0]=2 2793 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [0,1,0,0,0,1|0,0,2]=4 2794 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [0,1,0,0,0,1|1,0,1]=4 2795 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [0,1,0,0,0,1|0,0,2]=4 2796 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [0,1,0,0,0,1|0,0,2]=4 2797 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [0,1,0,0,0,1|0,0,2]=4 2798 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [0,1,0,0,0,1|0,0,2]=4 2799 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [0,1,0,0,0,1|0,0,2]=4 2800 B12R1.27 ON=C(COc1ccccc1)N 1P006MTN [0,1,0,0,0,1|1,0,1]=4 2801 B12R1.27 ONC(=O)OCc1ccccc1 1P003OL5 [0,1,0,0,0,1|1,0,0]=3 2802 B12R1.27 SCC(=O)OCc1ccccc1 1P008QDV [0,1,0,0,0,1|0,0,0]=2 2803 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [0,1,0,0,0,1|1,0,0]=3 2804 B12R1.43 BrC(C(=O)Cl)Cc1ccccc1 1P00CNPL [0,1,0,0,0,1|2,0,0]=4 2805 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,1,0,0,0,1|2,0,0]=4 2806 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [0,1,0,0,0,1|2,0,0]=4 2807 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [0,1,0,0,0,1|2,0,0]=4 2808 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [0,1,0,0,0,1|2,0,0]=4 2809 B12R1.43 C=C(C(=O)O)Cc1ccccc1 1P0033LB [0,1,0,0,0,1|2,0,0]=4 2810 B12R1.43 CC(=Cc1ccccc1)C(=O)C 1P002ET2 [0,1,0,0,0,1|1,0,0]=3 2811 B12R1.43 CC(=Cc1ccccc1)C(=O)O 1P000QB8 [0,1,0,0,0,1|2,0,0]=4 2812 B12R1.43 CC(=O)N(Cc1cccnc1)C 1P0065KD [0,1,0,0,0,1|2,0,0]=4 2813 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,1,0,0,0,1|1,0,0]=3 2814 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [0,1,0,0,0,1|2,0,0]=4 2815 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 1P001704 [0,1,0,0,0,1|1,0,0]=3 2816 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [0,1,0,0,0,1|2,0,0]=4 2817 B12R1.43 CC(C(=O)O)Oc1ccccc1 1P003IBB [0,1,0,0,0,1|1,0,0]=3 2818 B12R1.43 CC(C(=O)O)Sc1ccccc1 1P002029 [0,1,0,0,0,1|1,1,0]=4 2819 B12R1.43 CC(C(=O)Oc1ccccc1)C 1P0028VL [0,1,0,0,0,1|1,0,1]=4 2820 B12R1.43 CC(C(N)C)Oc1ccccc1 1P01AKTG [0,1,0,0,0,1|1,0,1]=4 2821 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [0,1,0,0,0,1|1,0,0]=3 2822 B12R1.43 CN(C(=O)C)Nc1ccccc1 1P01HYFP [0,1,0,0,0,1|1,0,0]=3 2823 B12R1.43 CN(C(=O)Cl)Cc1ccccc1 1P01AFOK [0,1,0,0,0,1|2,0,0]=4 2824 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,0,1|2,0,0]=4 2825 B12R1.43 CN(C(=O)Oc1ccccc1)C 1P00FVID [0,1,0,0,0,1|2,0,0]=4 2826 B12R1.43 CN(C(=O)Oc1ccccc1)N 1P028XX8 [0,1,0,0,0,1|2,0,0]=4 2827 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [0,1,0,0,0,1|2,0,0]=4 2828 B12R1.43 C[C@@H](C(=O)O)Nc1ccccc1 1P001PT8 [0,1,0,0,0,1|2,0,0]=4 2829 B12R1.43 C[C@@H](C(=O)O)Oc1ccccc1 1P002FKF [0,1,0,0,0,1|1,0,0]=3 2830 B12R1.43 C[C@@H](C(=O)Oc1ccccc1)N 1P028S9M [0,1,0,0,0,1|1,0,1]=4 2831 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [0,1,0,0,0,1|2,0,0]=4 2832 B12R1.43 C[C@H](C(=O)O)Oc1ccccc1 1P0078YZ [0,1,0,0,0,1|1,0,0]=3 2833 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 1P002E6F [0,1,0,0,0,1|2,0,0]=4 2834 B12R1.43 F\C(=C\c1ccccc1)\C(=O)O 1P0029OI [0,1,0,0,0,1|2,0,0]=4 2835 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [0,1,0,0,0,1|1,0,0]=3 2836 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,1,0,0,0,1|2,0,0]=4 2837 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,1,0,0,0,1|2,0,0]=4 2838 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [0,1,0,0,0,1|2,0,0]=4 2839 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,1,0,0,0,1|2,0,0]=4 2840 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,1,0,0,0,1|2,0,0]=4 2841 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [0,1,0,0,0,1|2,0,0]=4 2842 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,1,0,0,0,1|2,0,0]=4 2843 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [0,1,0,0,0,1|2,0,0]=4 2844 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [0,1,0,0,0,1|2,0,0]=4 2845 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [0,1,0,0,0,1|2,0,0]=4 2846 B12R1.43 O=C(C(=C)C)Nc1ccccc1 1P001SMC [0,1,0,0,0,1|2,0,0]=4 2847 B12R1.43 O=C(C(=C)C)Oc1ccccc1 1P003U5Q [0,1,0,0,0,1|1,0,0]=3 2848 B12R1.43 O=C(C(=O)O)Cc1ccccc1 1P001OVZ [0,1,0,0,0,1|2,0,0]=4 2849 B12R1.43 O=C(C(=O)O)Nc1ccccc1 1P00DD37 [0,1,0,0,0,1|2,0,0]=4 2850 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P000AQT [0,1,0,0,0,1|2,0,0]=4 2851 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00175E [0,1,0,0,0,1|2,0,0]=4 2852 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00I9QJ [0,1,0,0,0,1|2,0,0]=4 2853 B12R1.43 OC(=O)C(Oc1ccccn1)C 1P01C2FK [0,1,0,0,0,1|2,0,0]=4 2854 B12R1.43 OC(=O)C(Oc1cccnc1)C 1P00D5IY [0,1,0,0,0,1|2,0,0]=4 2855 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,1,0,0,0,1|2,0,0]=4 2856 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [0,1,0,0,0,1|2,0,0]=4 2857 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [0,1,0,0,0,1|2,0,0]=4 2858 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [0,1,0,0,0,1|2,0,0]=4 2859 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [0,1,0,0,0,1|2,0,0]=4 2860 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [0,1,0,0,0,1|2,0,0]=4 2861 B12R1.107 C=C(c1ccccc1)NC(=O)C 1P00F1Z1 [0,1,0,0,0,1|1,0,0]=3 2862 B12R1.107 CC(=CC(=O)O)c1ccccc1 1P000QAQ [0,1,0,0,0,1|2,0,0]=4 2863 B12R1.107 CC(=O)CC(=O)c1ccccn1 1P00CHQ6 [0,1,0,0,0,1|2,0,0]=4 2864 B12R1.107 CC(=O)CC(=O)c1cccnc1 1P007DNH [0,1,0,0,0,1|2,0,0]=4 2865 B12R1.107 CC(OC(=O)c1ccccc1)C 1P00GSIP [0,1,0,0,0,1|1,0,1]=4 2866 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [0,1,0,0,0,1|2,0,0]=4 2867 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,1,0,0,0,1|1,0,0]=3 2868 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,1,0,0,0,1|2,0,0]=4 2869 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,1,0,0,0,1|0,0,0]=2 2870 B12R1.107 CN(c1ccccc1)CC(=O)O 1P003A5H [0,1,0,0,0,1|2,0,0]=4 2871 B12R1.107 CN(c1ccccc1)CC(=O)O 1P0076QI [0,1,0,0,0,1|2,0,0]=4 2872 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [0,1,0,0,0,1|2,0,0]=4 2873 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [0,1,0,0,0,1|2,0,0]=4 2874 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,1,0,0,0,1|1,0,0]=3 2875 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,1,0,0,0,1|2,0,0]=4 2876 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 1P005J10 [0,1,0,0,0,1|2,0,0]=4 2877 B12R1.107 Cl\C(=N/C(=O)Cl)\c1ccccc1 1P028WVM [0,1,0,0,0,1|2,0,0]=4 2878 B12R1.107 F\C(=C/C(=O)O)\c1ccccc1 1P028ELB [0,1,0,0,0,1|2,0,0]=4 2879 B12R1.107 F\C(=C\C(=O)O)\c1ccccc1 1P027U6A [0,1,0,0,0,1|2,0,0]=4 2880 B12R1.107 I\C(=C/C(=O)O)\c1ccccc1 1P028MCH [0,1,0,0,0,1|2,0,0]=4 2881 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,1,0,0,0,1|2,0,0]=4 2882 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,1,0,0,0,1|2,0,0]=4 2883 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [0,1,0,0,0,1|2,0,0]=4 2884 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [0,1,0,0,0,1|2,0,0]=4 2885 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,1,0,0,0,1|2,0,0]=4 2886 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [0,1,0,0,0,1|2,0,0]=4 2887 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [0,1,0,0,0,1|2,0,0]=4 2888 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [0,1,0,0,0,1|2,0,0]=4 2889 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [0,1,0,0,0,1|2,0,0]=4 2890 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,1,0,0,0,1|1,0,0]=3 2891 B12R1.107 O=C(c1ccccc1)CC(=O)[O-] 1P00FIFJ [0,1,0,0,0,1|2,0,0]=4 2892 B12R1.107 O=C(c1ccccc1)NC(=O)N 1P003OJV [0,1,0,0,0,1|2,0,0]=4 2893 B12R1.107 O=C(c1ccccc1)\C=C(/N)\C 1P00IS13 [0,1,0,0,0,1|2,0,0]=4 2894 B12R1.107 O=C(c1ccncc1)CC(=O)C 1P005S1N [0,1,0,0,0,1|2,0,0]=4 2895 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [0,1,0,0,0,1|2,0,0]=4 2896 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [0,1,0,0,0,1|2,0,0]=4 2897 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [0,1,0,0,0,1|2,0,0]=4 2898 B12R1.125 CC(=C)COc1ccccc1Br 1P00061Q [0,1,0,0,0,1|1,0,0]=3 2899 B12R1.125 CC(=C)COc1ccccc1N 1P00DDN9 [0,1,0,0,0,1|1,0,0]=3 2900 B12R1.125 CC(=C)COc1ccccc1N 1P00J245 [0,1,0,0,0,1|1,0,0]=3 2901 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [0,1,0,0,0,1|1,0,0]=3 2902 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [0,1,0,0,0,1|1,0,0]=3 2903 B12R1.125 CC(=O)NCc1ccccc1Br 1P008QXJ [0,1,0,0,0,1|1,0,0]=3 2904 B12R1.125 CC(=O)NCc1ccccc1Cl 1P00EMME [0,1,0,0,0,1|1,0,0]=3 2905 B12R1.125 CC(=O)NCc1ccccc1N 1P028LKH [0,1,0,0,0,1|1,0,0]=3 2906 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [0,1,0,0,0,1|1,0,0]=3 2907 B12R1.125 CC(=O)NNc1ccccc1F 1P01EKID [0,1,0,0,0,1|1,0,0]=3 2908 B12R1.125 CC(COc1ccccc1C)N 1P00EE9F [0,1,0,0,0,1|1,0,1]=4 2909 B12R1.125 CC(COc1ccccc1C)O 1P003DBV [0,1,0,0,0,1|0,0,2]=4 2910 B12R1.125 CC(COc1ccccc1Cl)N 1P01ATX7 [0,1,0,0,0,1|1,0,1]=4 2911 B12R1.125 CC(COc1ccccc1F)N 1P019X51 [0,1,0,0,0,1|1,0,1]=4 2912 B12R1.125 CC(COc1ccccc1N)C 1P007X8P [0,1,0,0,0,1|1,0,1]=4 2913 B12R1.125 CC(COc1ccccc1O)C 1P007RA8 [0,1,0,0,0,1|1,0,1]=4 2914 B12R1.125 CC(OCc1ccccc1N)C 1P019ZZ9 [0,1,0,0,0,1|1,0,1]=4 2915 B12R1.125 C[C@H](COc1ccccc1O)O 1P027W1Q [0,1,0,0,0,1|0,0,2]=4 2916 B12R1.125 ClC(=O)C=Cc1ccccc1Cl 1P003HIP [0,1,0,0,0,1|2,0,0]=4 2917 B12R1.125 ClC(=O)CCc1ccccc1Br 1P01EZGG [0,1,0,0,0,1|2,0,0]=4 2918 B12R1.125 ClC(=O)OCc1ccccc1Cl 1P003HIJ [0,1,0,0,0,1|1,0,0]=3 2919 B12R1.125 ClC(=O)OCc1ccccc1F 1P01B3WB [0,1,0,0,0,1|1,0,0]=3 2920 B12R1.125 ClC(=O)\C=C\c1ccccc1Br 1P00JD7K [0,1,0,0,0,1|2,0,0]=4 2921 B12R1.125 NC(=N)COc1ccccc1C 1P019XTZ [0,1,0,0,0,1|2,0,0]=4 2922 B12R1.125 NC(=N)COc1ccccc1Cl 1P00EDLZ [0,1,0,0,0,1|2,0,0]=4 2923 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [0,1,0,0,0,1|2,0,0]=4 2924 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [0,1,0,0,0,1|2,0,0]=4 2925 B12R1.125 NC(=O)CNc1ccccc1Br 1P027XV8 [0,1,0,0,0,1|2,0,0]=4 2926 B12R1.125 NC(=O)COc1ccccc1C 1P00BXOH [0,1,0,0,0,1|1,0,0]=3 2927 B12R1.125 NC(=O)COc1ccccc1Cl 1P003F81 [0,1,0,0,0,1|1,0,0]=3 2928 B12R1.125 NC(=O)COc1ccccc1O 1P00C69V [0,1,0,0,0,1|1,0,0]=3 2929 B12R1.125 NC(=O)CSc1ccccc1N 1P019OTG [0,1,0,0,0,1|1,1,0]=4 2930 B12R1.125 NC(=O)NCc1ccccc1Cl 1P00ISCK [0,1,0,0,0,1|2,0,0]=4 2931 B12R1.125 NC(=O)NCc1ccccc1F 1P01AB49 [0,1,0,0,0,1|2,0,0]=4 2932 B12R1.125 NC(=O)\C=C\c1ccccc1F 1P01EY2F [0,1,0,0,0,1|2,0,0]=4 2933 B12R1.125 NC(=S)COc1ccccc1F 1P028ZN3 [0,1,0,0,0,1|1,1,0]=4 2934 B12R1.125 OC(=O)C#Cc1ccccc1C 1P00JTBO [0,1,0,0,0,1|2,0,0]=4 2935 B12R1.125 OC(=O)C#Cc1ccccc1Cl 1P00JTBJ [0,1,0,0,0,1|2,0,0]=4 2936 B12R1.125 OC(=O)C#Cc1ccccc1F 1P00FEGZ [0,1,0,0,0,1|2,0,0]=4 2937 B12R1.125 OC(=O)C=Cc1ccccc1Br 1P0033MW [0,1,0,0,0,1|2,0,0]=4 2938 B12R1.125 OC(=O)C=Cc1ccccc1C 1P019O2E [0,1,0,0,0,1|2,0,0]=4 2939 B12R1.125 OC(=O)C=Cc1ccccc1Cl 1P0033PW [0,1,0,0,0,1|2,0,0]=4 2940 B12R1.125 OC(=O)C=Cc1ccccc1F 1P003HSF [0,1,0,0,0,1|2,0,0]=4 2941 B12R1.125 OC(=O)CCc1ccccc1Br 1P001NLG [0,1,0,0,0,1|2,0,0]=4 2942 B12R1.125 OC(=O)CCc1ccccc1C 1P003BQQ [0,1,0,0,0,1|2,0,0]=4 2943 B12R1.125 OC(=O)CCc1ccccc1Cl 1P001V8E [0,1,0,0,0,1|2,0,0]=4 2944 B12R1.125 OC(=O)CCc1ccccc1F 1P001V8F [0,1,0,0,0,1|2,0,0]=4 2945 B12R1.125 OC(=O)CCc1ccccc1I 1P00IKAW [0,1,0,0,0,1|2,0,0]=4 2946 B12R1.125 OC(=O)CCc1ccccc1O 1P003IHI [0,1,0,0,0,1|2,0,0]=4 2947 B12R1.125 OC(=O)CNc1ccccc1Cl 1P00FHKA [0,1,0,0,0,1|2,0,0]=4 2948 B12R1.125 OC(=O)CNc1ccccc1F 1P00D9L6 [0,1,0,0,0,1|2,0,0]=4 2949 B12R1.125 OC(=O)COc1ccccc1Br 1P002H0V [0,1,0,0,0,1|1,0,0]=3 2950 B12R1.125 OC(=O)COc1ccccc1C 1P002GYV [0,1,0,0,0,1|1,0,0]=3 2951 B12R1.125 OC(=O)COc1ccccc1F 1P003C3Z [0,1,0,0,0,1|1,0,0]=3 2952 B12R1.125 OC(=O)COc1ccccc1O 1P003HWK [0,1,0,0,0,1|1,0,0]=3 2953 B12R1.125 OC(=O)COc1cccnc1Cl 1P0290SA [0,1,0,0,0,1|2,0,0]=4 2954 B12R1.125 OC(=O)CSc1ccccc1Br 1P01DUSN [0,1,0,0,0,1|1,1,0]=4 2955 B12R1.125 OC(=O)CSc1ccccc1C 1P00ADC0 [0,1,0,0,0,1|1,1,0]=4 2956 B12R1.125 OC(=O)CSc1ccccc1Cl 1P00ALGW [0,1,0,0,0,1|1,1,0]=4 2957 B12R1.125 OC(=O)CSc1ccccc1F 1P005UWQ [0,1,0,0,0,1|1,1,0]=4 2958 B12R1.125 OC(=O)CSc1ccccc1O 1P00536S [0,1,0,0,0,1|1,1,0]=4 2959 B12R1.125 OC(=O)\C=C\c1ccccc1Br 1P008OSG [0,1,0,0,0,1|2,0,0]=4 2960 B12R1.125 OC(=O)\C=C\c1ccccc1C 1P003I5R [0,1,0,0,0,1|2,0,0]=4 2961 B12R1.125 OC(=O)\C=C\c1ccccc1Cl 1P006B5H [0,1,0,0,0,1|2,0,0]=4 2962 B12R1.125 OC(=O)\C=C\c1ccccc1F 1P002E51 [0,1,0,0,0,1|2,0,0]=4 2963 B12R1.125 OC(=O)\C=C\c1ccccc1O 1P00IBBN [0,1,0,0,0,1|2,0,0]=4 2964 B12R1.125 [O-]C(=O)CCc1ccccc1N 1P01JMCU [0,1,0,0,0,1|2,0,0]=4 2965 B12R1.125 [O-]C(=O)COc1ccncc1Cl 1P02939E [0,1,0,0,0,1|2,0,0]=4 2966 B12R1.125 [O-]C(=O)COc1ncccc1Cl 1P02804Y [0,1,0,0,0,1|2,0,0]=4 2967 B12R1.226 Brc1cccc(c1)C#CC(=O)O 1P01B5WY [0,1,0,0,0,1|2,0,0]=4 2968 B12R1.226 CC(=C)COc1cccc(c1)Br 1P01EMHA [0,1,0,0,0,1|1,0,0]=3 2969 B12R1.226 CC(=C)COc1cccc(c1)N 1P0082V8 [0,1,0,0,0,1|1,0,0]=3 2970 B12R1.226 CC(=C)COc1cccc(c1)N 1P0090ZE [0,1,0,0,0,1|1,0,0]=3 2971 B12R1.226 CC(=CCc1cccc(c1)O)C 1P01B6LC [0,1,0,0,0,1|2,0,0]=4 2972 B12R1.226 CC(=O)CCc1cccc(c1)Br 1P00BZYR [0,1,0,0,0,1|1,0,0]=3 2973 B12R1.226 CC(=O)CCc1cccc(c1)C 1P019X4A [0,1,0,0,0,1|1,0,0]=3 2974 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1P007GH3 [0,1,0,0,0,1|1,0,0]=3 2975 B12R1.226 CC(=O)CCc1cccc(c1)F 1P00C98G [0,1,0,0,0,1|1,0,0]=3 2976 B12R1.226 CC(=O)NCc1cc(Br)ccn1 1P021MOH [0,1,0,0,0,1|2,0,0]=4 2977 B12R1.226 CC(=O)NCc1cccc(c1)Br 1P00C6B3 [0,1,0,0,0,1|1,0,0]=3 2978 B12R1.226 CC(=O)NCc1cccc(c1)F 1P009811 [0,1,0,0,0,1|1,0,0]=3 2979 B12R1.226 CC(=O)NCc1cccc(c1)N 1P028Q3L [0,1,0,0,0,1|1,0,0]=3 2980 B12R1.226 CC(=O)OCc1cccc(c1)F 1P0202B9 [0,1,0,0,0,1|0,0,0]=2 2981 B12R1.226 CC(=O)\C=C\c1cccc(c1)Br 1P006TTF [0,1,0,0,0,1|1,0,0]=3 2982 B12R1.226 CC(COc1cccc(c1)Br)C 1P00I4VB [0,1,0,0,0,1|1,0,1]=4 2983 B12R1.226 CC(COc1cccc(c1)C)N 1P019X8G [0,1,0,0,0,1|1,0,1]=4 2984 B12R1.226 CC(COc1cccc(c1)C)O 1P003DE7 [0,1,0,0,0,1|0,0,2]=4 2985 B12R1.226 CC(COc1cccc(c1)Cl)N 1P01ATH0 [0,1,0,0,0,1|1,0,1]=4 2986 B12R1.226 CC(COc1cccc(c1)F)N 1P019X24 [0,1,0,0,0,1|1,0,1]=4 2987 B12R1.226 CC(COc1cccc(c1)F)O 1P01AHN2 [0,1,0,0,0,1|0,0,2]=4 2988 B12R1.226 CC(COc1cccc(c1)N)C 1P0079Z6 [0,1,0,0,0,1|1,0,1]=4 2989 B12R1.226 CC(COc1cccc(c1)O)C 1P00H5KP [0,1,0,0,0,1|1,0,1]=4 2990 B12R1.226 CC(OCc1cccc(c1)Br)C 1P009YXT [0,1,0,0,0,1|1,0,1]=4 2991 B12R1.226 CC(OCc1cccc(c1)N)C 1P00VUZP [0,1,0,0,0,1|1,0,1]=4 2992 B12R1.226 Cc1cccc(c1)C#CC(=O)O 1P00JTBN [0,1,0,0,0,1|2,0,0]=4 2993 B12R1.226 ClC(=O)COc1cccc(c1)F 1P00IMRM [0,1,0,0,0,1|1,0,0]=3 2994 B12R1.226 ClC(=O)OCc1cccc(c1)Cl 1P01AM7P [0,1,0,0,0,1|1,0,0]=3 2995 B12R1.226 Clc1cccc(c1)C#CC(=O)O 1P005JBM [0,1,0,0,0,1|2,0,0]=4 2996 B12R1.226 FC(=COc1cccc(c1)Br)F 1P028RGC [0,1,0,0,0,1|2,0,0]=4 2997 B12R1.226 Fc1cccc(c1)C#CC(=O)O 1P00JTBQ [0,1,0,0,0,1|2,0,0]=4 2998 B12R1.226 NC(=N)COc1cccc(c1)Cl 1P00J1V6 [0,1,0,0,0,1|2,0,0]=4 2999 B12R1.226 NC(=N)COc1cccc(c1)F 1P019G1A [0,1,0,0,0,1|2,0,0]=4 3000 B12R1.226 NC(=O)CCc1cccc(c1)Br 1P00ELSV [0,1,0,0,0,1|2,0,0]=4 3001 B12R1.226 NC(=O)CNc1cccc(c1)F 1P0292E1 [0,1,0,0,0,1|2,0,0]=4 3002 B12R1.226 NC(=O)COc1cccc(c1)Br 1P00C2B9 [0,1,0,0,0,1|1,0,0]=3 3003 B12R1.226 NC(=O)COc1cccc(c1)C 1P0001MA [0,1,0,0,0,1|1,0,0]=3 3004 B12R1.226 NC(=O)COc1cccc(c1)N 1P019L2R [0,1,0,0,0,1|1,0,0]=3 3005 B12R1.226 NC(=O)COc1cccc(c1)O 1P01A2YY [0,1,0,0,0,1|1,0,0]=3 3006 B12R1.226 NC(=O)NCc1cccc(c1)F 1P00J78M [0,1,0,0,0,1|2,0,0]=4 3007 B12R1.226 NC(=S)COc1cccc(c1)C 1P01ZY8M [0,1,0,0,0,1|1,1,0]=4 3008 B12R1.226 NC(=S)COc1cccc(c1)Cl 1P00C7UN [0,1,0,0,0,1|1,1,0]=4 3009 B12R1.226 Nc1cccc(c1)C#CC(=O)O 1P0285XG [0,1,0,0,0,1|2,0,0]=4 3010 B12R1.226 OC(=O)C=Cc1cccc(c1)Br 1P00I6R2 [0,1,0,0,0,1|2,0,0]=4 3011 B12R1.226 OC(=O)C=Cc1cccc(c1)C 1P002ZYM [0,1,0,0,0,1|2,0,0]=4 3012 B12R1.226 OC(=O)C=Cc1cccc(c1)Cl 1P00I2AM [0,1,0,0,0,1|2,0,0]=4 3013 B12R1.226 OC(=O)C=Cc1cccc(c1)F 1P00DET3 [0,1,0,0,0,1|2,0,0]=4 3014 B12R1.226 OC(=O)C=Cc1cccc(c1)O 1P00E9RN [0,1,0,0,0,1|2,0,0]=4 3015 B12R1.226 OC(=O)CCc1cccc(c1)Br 1P003IIS [0,1,0,0,0,1|2,0,0]=4 3016 B12R1.226 OC(=O)CCc1cccc(c1)C 1P00C6WI [0,1,0,0,0,1|2,0,0]=4 3017 B12R1.226 OC(=O)CCc1cccc(c1)Cl 1P0039CK [0,1,0,0,0,1|2,0,0]=4 3018 B12R1.226 OC(=O)CCc1cccc(c1)F 1P003BQS [0,1,0,0,0,1|2,0,0]=4 3019 B12R1.226 OC(=O)CCc1cccc(c1)I 1P0038YH [0,1,0,0,0,1|2,0,0]=4 3020 B12R1.226 OC(=O)CCc1cccc(c1)N 1P001X6K [0,1,0,0,0,1|2,0,0]=4 3021 B12R1.226 OC(=O)CCc1cccc(c1)N 1P008VYA [0,1,0,0,0,1|2,0,0]=4 3022 B12R1.226 OC(=O)CCc1cccc(c1)O 1P0033X1 [0,1,0,0,0,1|2,0,0]=4 3023 B12R1.226 OC(=O)CNc1cccc(c1)Cl 1P0007W7 [0,1,0,0,0,1|2,0,0]=4 3024 B12R1.226 OC(=O)COc1cc(Cl)ccn1 1P01DMT4 [0,1,0,0,0,1|2,0,0]=4 3025 B12R1.226 OC(=O)COc1cccc(c1)Br 1P0027QK [0,1,0,0,0,1|1,0,0]=3 3026 B12R1.226 OC(=O)COc1cccc(c1)C 1P001V8J [0,1,0,0,0,1|1,0,0]=3 3027 B12R1.226 OC(=O)COc1cccc(c1)Cl 1P003C8L [0,1,0,0,0,1|1,0,0]=3 3028 B12R1.226 OC(=O)COc1cccc(c1)F 1P003C91 [0,1,0,0,0,1|1,0,0]=3 3029 B12R1.226 OC(=O)COc1cccc(c1)I 1P00B463 [0,1,0,0,0,1|1,0,0]=3 3030 B12R1.226 OC(=O)COc1cccc(c1)N 1P00EC9G [0,1,0,0,0,1|1,0,0]=3 3031 B12R1.226 OC(=O)COc1cccc(c1)O 1P002GYF [0,1,0,0,0,1|1,0,0]=3 3032 B12R1.226 OC(=O)COc1cccc(n1)F 1P0281BX [0,1,0,0,0,1|2,0,0]=4 3033 B12R1.226 OC(=O)COc1cncc(c1)Br 1P01A6GS [0,1,0,0,0,1|2,0,0]=4 3034 B12R1.226 OC(=O)COc1cncc(c1)Br 1P028P3P [0,1,0,0,0,1|2,0,0]=4 3035 B12R1.226 OC(=O)CSc1cccc(c1)Br 1P00CRD4 [0,1,0,0,0,1|1,1,0]=4 3036 B12R1.226 OC(=O)CSc1cccc(c1)C 1P00D0KB [0,1,0,0,0,1|1,1,0]=4 3037 B12R1.226 OC(=O)CSc1cccc(c1)Cl 1P00CIHP [0,1,0,0,0,1|1,1,0]=4 3038 B12R1.226 OC(=O)CSc1cccc(c1)F 1P00CZNX [0,1,0,0,0,1|1,1,0]=4 3039 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br 1P001KJC [0,1,0,0,0,1|2,0,0]=4 3040 B12R1.226 OC(=O)\C=C\c1cccc(c1)C 1P001KJT [0,1,0,0,0,1|2,0,0]=4 3041 B12R1.226 OC(=O)\C=C\c1cccc(c1)Cl 1P001KJD [0,1,0,0,0,1|2,0,0]=4 3042 B12R1.226 OC(=O)\C=C\c1cccc(c1)F 1P002AW9 [0,1,0,0,0,1|2,0,0]=4 3043 B12R1.226 OC(=O)\C=C\c1cccc(c1)I 1P00BZ26 [0,1,0,0,0,1|2,0,0]=4 3044 B12R1.226 OC(=O)\C=C\c1cccc(c1)N 1P000XW0 [0,1,0,0,0,1|2,0,0]=4 3045 B12R1.226 OC(=O)\C=C\c1cccc(c1)O 1P001FFZ [0,1,0,0,0,1|2,0,0]=4 3046 B12R1.226 Oc1cccc(c1)C#CC(=O)O 1P01CAA5 [0,1,0,0,0,1|2,0,0]=4 3047 B12R1.891 CC(COc1ccccc1)(N)C 1P028UK6 [0,1,0,0,0,1|1,0,1]=4 3048 B12R1.891 CC(COc1ccccc1)(O)C 1P01AIGV [0,1,0,0,0,1|0,0,2]=4 3049 B12R1.891 CS(=O)(=O)NCc1ccccc1 1P00JJR7 [0,1,0,0,0,1|2,0,0]=4 3050 B12R1.891 CS(=O)(=O)OCc1ccccc1 1P01C4RT [0,1,0,0,0,1|1,0,0]=3 3051 B12R1.891 C[Si](OCc1ccccc1)(C)C 1P001EH3 [0,1,0,0,0,1|1,1,0]=4 3052 B12R1.891 NS(=O)(=O)OCc1ccccc1 1P028CWY [0,1,0,0,0,1|2,0,0]=4 3053 B12R1.891 OP(=O)(OCc1ccccc1)O 1P01NJ4M [0,1,0,0,0,1|2,0,0]=4 3054 B12R1.4 BrCc1ccc(cc1)CC(=O)O 1P0013NI [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.4 BrCc1ccc(cc1)OC(=O)C 1P00DG7O [0,2,0,0,0,0|0,0,0]=2 3056 B12R1.4 BrCc1ccc(cc1)OC(C)C 1P00FI8H [0,2,0,0,0,0|1,0,1]=4 3057 B12R1.4 C#Cc1ccc(cc1)CC(=O)O 1P01FQSZ [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1P00I7HZ [0,2,0,0,0,0|1,0,0]=3 3059 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 1P002T1M [0,2,0,0,0,0|0,0,0]=2 3060 B12R1.4 CC(Oc1ccc(cc1)C#C)C 1P006R4D [0,2,0,0,0,0|1,0,1]=4 3061 B12R1.4 CC(Oc1ccc(cc1)C#N)C 1P00IHFD [0,2,0,0,0,0|1,0,1]=4 3062 B12R1.4 CCc1ccc(cc1)CC(=O)C 1P003DFZ [0,2,0,0,0,0|1,0,0]=3 3063 B12R1.4 CCc1ccc(cc1)CC(=O)O 1P001IZ6 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.4 CCc1ccc(cc1)NC(=O)C 1P00CN3E [0,2,0,0,0,0|1,0,0]=3 3065 B12R1.4 CCc1ccc(cc1)OC(=O)C 1P003O3C [0,2,0,0,0,0|0,0,0]=2 3066 B12R1.4 CNc1ccc(cc1)OC(C)C 1P01BE8O [0,2,0,0,0,0|1,0,1]=4 3067 B12R1.4 COc1ccc(cc1)CC(=O)C 1P00170J [0,2,0,0,0,0|1,0,0]=3 3068 B12R1.4 COc1ccc(cc1)CC(=O)Cl 1P003M5H [0,2,0,0,0,0|2,0,0]=4 3069 B12R1.4 COc1ccc(cc1)CC(=O)N 1P003M5D [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.4 COc1ccc(cc1)CC(=O)O 1P003M5E [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.4 COc1ccc(cc1)NC(=O)C 1P003STL [0,2,0,0,0,0|1,0,0]=3 3072 B12R1.4 COc1ccc(cc1)NC(=O)N 1P001PBL [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.4 COc1ccc(cc1)OC(=O)Cl 1P003M58 [0,2,0,0,0,0|1,0,0]=3 3074 B12R1.4 COc1ccc(cc1)OC(=S)Cl 1P019WY3 [0,2,0,0,0,0|1,1,0]=4 3075 B12R1.4 COc1ccc(cn1)CC(=O)C 1P01C350 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.4 COc1ccc(cn1)NC(=O)C 1P01DWDN [0,2,0,0,0,0|2,0,0]=4 3077 B12R1.4 CSc1ccc(cc1)CC(=O)O 1P001WF3 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.4 ClCc1ccc(cc1)CC(=O)O 1P00DIBK [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.4 ClCc1ccc(cc1)NC(=O)C 1P00DACA [0,2,0,0,0,0|1,0,0]=3 3080 B12R1.4 ClCc1ccc(cc1)OC(=O)C 1P003KNJ [0,2,0,0,0,0|0,0,0]=2 3081 B12R1.4 ClCc1ccc(cc1)OC(C)C 1P027P8R [0,2,0,0,0,0|1,0,1]=4 3082 B12R1.4 ICc1ccc(cc1)OC(=O)C 1P002GLT [0,2,0,0,0,0|0,0,0]=2 3083 B12R1.4 N#Cc1ccc(cc1)CC(=O)C 1P00EATG [0,2,0,0,0,0|1,0,0]=3 3084 B12R1.4 N#Cc1ccc(cc1)CC(=O)N 1P0091Z6 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.4 N#Cc1ccc(cc1)CC(=O)O 1P00D8J7 [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.4 N#Cc1ccc(cc1)CS(=O)C 1P01DU12 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.4 N#Cc1ccc(cc1)NC(=O)C 1P00BXS9 [0,2,0,0,0,0|1,0,0]=3 3088 B12R1.4 N#Cc1ccc(cc1)NC(=O)N 1P004M6C [0,2,0,0,0,0|2,0,0]=4 3089 B12R1.4 NCc1ccc(cc1)CC(=O)N 1P01BHMO [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.4 NCc1ccc(cc1)CC(=O)O 1P000QHT [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.4 NCc1ccc(cc1)CC(=O)O 1P00CJ7P [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.4 NCc1ccc(cc1)CS(=O)C 1P01BB9N [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.4 NCc1ccc(cc1)NC(=O)C 1P00BDK5 [0,2,0,0,0,0|1,0,0]=3 3094 B12R1.4 NCc1ccc(cc1)NC(=O)C 1P00BIRD [0,2,0,0,0,0|1,0,0]=3 3095 B12R1.4 NCc1ccc(cc1)NC(=O)N 1P019KY1 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.4 NCc1ccc(cc1)OC(=O)C 1P00I0IF [0,2,0,0,0,0|0,0,0]=2 3097 B12R1.4 NCc1ccc(cc1)OC(C)C 1P009R7E [0,2,0,0,0,0|1,0,1]=4 3098 B12R1.4 NCc1ccc(cc1)OC(C)C 1P00C2G3 [0,2,0,0,0,0|1,0,1]=4 3099 B12R1.4 NCc1ccc(nc1)NC(=O)C 1P01BFR6 [0,2,0,0,0,0|2,0,0]=4 3100 B12R1.4 NNc1ccc(cc1)CC(=O)O 1P01B2DV [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.4 NNc1ccc(cc1)OC(C)C 1P0085LY [0,2,0,0,0,0|1,0,1]=4 3102 B12R1.4 O=Cc1ccc(cc1)CC(=O)O 1P00CL55 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.4 O=Cc1ccc(cc1)NC(=O)C 1P00170I [0,2,0,0,0,0|1,0,0]=3 3104 B12R1.4 O=Cc1ccc(cc1)OC(=O)C 1P003L33 [0,2,0,0,0,0|0,0,0]=2 3105 B12R1.4 O=Cc1ccc(cc1)OC(C)C 1P002E9N [0,2,0,0,0,0|1,0,1]=4 3106 B12R1.4 O=Cc1ccc(nc1)NC(=O)C 1P001LVU [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.4 OCc1ccc(cc1)CC(=O)O 1P005OO3 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.4 OCc1ccc(cc1)NC(=O)C 1P001UU5 [0,2,0,0,0,0|1,0,0]=3 3109 B12R1.4 OCc1ccc(cc1)OC(=O)C 1P00EL2N [0,2,0,0,0,0|0,0,0]=2 3110 B12R1.4 OCc1ccc(cc1)OC(C)C 1P0052UQ [0,2,0,0,0,0|1,0,1]=4 3111 B12R1.4 SCc1ccc(cc1)CC(=O)O 1P01AVG0 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.4 SCc1ccc(cc1)OC(C)C 1P0291AR [0,2,0,0,0,0|1,0,1]=4 3113 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1P00IBYT [0,2,0,0,0,0|1,0,0]=3 3114 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1P003IX3 [0,2,0,0,0,0|1,0,0]=3 3115 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1P019YU0 [0,2,0,0,0,0|1,0,0]=3 3116 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1P002QOU [0,2,0,0,0,0|1,0,0]=3 3117 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1P00D6SJ [0,2,0,0,0,0|1,0,0]=3 3118 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1P019FGT [0,2,0,0,0,0|1,0,0]=3 3119 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1P0003L7 [0,2,0,0,0,0|1,0,0]=3 3120 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)N 1P01A3Y0 [0,2,0,0,0,0|1,0,0]=3 3121 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1P006TL7 [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1P003IZ6 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1P00CML0 [0,2,0,0,0,0|1,0,0]=3 3124 B12R1.19 CC(=O)Nc1ccc(c(c1)C)N 1P00EE8V [0,2,0,0,0,0|1,0,0]=3 3125 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 1P001UU4 [0,2,0,0,0,0|1,0,0]=3 3126 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1P00BD1U [0,2,0,0,0,0|1,0,0]=3 3127 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1P003JP6 [0,2,0,0,0,0|1,0,0]=3 3128 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1P00BDQ6 [0,2,0,0,0,0|1,0,0]=3 3129 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1P003JOM [0,2,0,0,0,0|1,0,0]=3 3130 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)N 1P00AUTG [0,2,0,0,0,0|1,0,0]=3 3131 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 1P00C9OA [0,2,0,0,0,0|1,0,0]=3 3132 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1P003LER [0,2,0,0,0,0|1,0,0]=3 3133 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1P003ANU [0,2,0,0,0,0|1,0,0]=3 3134 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 1P00BKKX [0,2,0,0,0,0|1,0,0]=3 3135 B12R1.19 CC(=O)Nc1ccc(c(c1)N)C 1P00EHTO [0,2,0,0,0,0|1,0,0]=3 3136 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl 1P003JBV [0,2,0,0,0,0|1,0,0]=3 3137 B12R1.19 CC(=O)Nc1ccc(c(c1)N)F 1P0009K3 [0,2,0,0,0,0|1,0,0]=3 3138 B12R1.19 CC(=O)Nc1ccc(c(c1)N)F 1P0290B2 [0,2,0,0,0,0|1,0,0]=3 3139 B12R1.19 CC(=O)Nc1ccc(c(c1)N)O 1P009RBJ [0,2,0,0,0,0|1,0,0]=3 3140 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 1P003MS8 [0,2,0,0,0,0|1,0,0]=3 3141 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 1P00C6Z8 [0,2,0,0,0,0|1,0,0]=3 3142 B12R1.19 CC(=O)Nc1ccc(c(n1)F)I 1P00IFKN [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.19 CC(=O)Oc1ccc(c(c1)N)F 1P00I41H [0,2,0,0,0,0|0,0,0]=2 3144 B12R1.19 CC(Oc1ccc(c(c1)C)Br)C 1P01EYGI [0,2,0,0,0,0|1,0,1]=4 3145 B12R1.19 CC(Oc1ccc(c(c1)C)N)C 1P0064QI [0,2,0,0,0,0|1,0,1]=4 3146 B12R1.19 CC(Oc1ccc(c(c1)Cl)N)C 1P01AGMI [0,2,0,0,0,0|1,0,1]=4 3147 B12R1.19 CC(Oc1ccc(c(c1)F)N)C 1P00HYNZ [0,2,0,0,0,0|1,0,1]=4 3148 B12R1.19 CC(Oc1ccc(c(c1)N)C)C 1P006FCW [0,2,0,0,0,0|1,0,1]=4 3149 B12R1.19 CC(Oc1ccc(c(c1)N)Cl)C 1P021OIR [0,2,0,0,0,0|1,0,1]=4 3150 B12R1.19 CC(Oc1ccc(c(c1)N)F)C 1P01K00S [0,2,0,0,0,0|1,0,1]=4 3151 B12R1.19 CC(Oc1ccc(c(c1)N)F)C 1P020ET5 [0,2,0,0,0,0|1,0,1]=4 3152 B12R1.19 CS(=O)Cc1ccc(c(c1)N)Cl 1P01AJPU [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.19 Cc1cc(NC(=O)C)ncc1Br 1P006V2M [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.19 Cc1nc(NC(=O)C)ccc1Br 1P006V2L [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.19 ClC(=O)Cc1ccc(c(c1)F)F 1P0015X0 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.19 ClC(=O)Oc1ccc(c(c1)C)F 1P00972T [0,2,0,0,0,0|1,0,0]=3 3157 B12R1.19 ClC(=O)Oc1ccc(c(c1)Cl)Cl 1P01B3VQ [0,2,0,0,0,0|1,0,0]=3 3158 B12R1.19 NC(=O)Cc1ccc(c(c1)Cl)Cl 1P019W9F [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.19 NC(=O)Cc1ccc(c(c1)O)O 1P0078YT [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.19 NC(=O)Nc1ccc(c(c1)C)Br 1P01A8PG [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.19 NC(=O)Nc1ccc(c(c1)C)C 1P000AQS [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.19 NC(=O)Nc1ccc(c(c1)Cl)Cl 1P002N78 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.19 NC(=O)Nc1ccc(c(c1)Cl)F 1P019WWR [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.19 NC(=O)Nc1ccc(c(c1)F)C 1P019NUZ [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.19 NC(=O)Nc1ccc(c(c1)F)Cl 1P01BDA2 [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.19 NC(=O)Nc1ccc(c(c1)N)Cl 1P019X85 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)Br 1P01B7FQ [0,2,0,0,0,0|2,0,0]=4 3168 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)C 1P00VUV8 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)Cl 1P00GYQZ [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)F 1P003JIG [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)I 1P01C36Z [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)N 1P00FH6S [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)O 1P00792O [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.19 OC(=O)Cc1ccc(c(c1)C)Br 1P003AF8 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.19 OC(=O)Cc1ccc(c(c1)C)C 1P003IZ9 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.19 OC(=O)Cc1ccc(c(c1)C)F 1P00015M [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.19 OC(=O)Cc1ccc(c(c1)C)N 1P003FBB [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.19 OC(=O)Cc1ccc(c(c1)C)O 1P002XUD [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)Br 1P000SDE [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)C 1P01C7SF [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)Cl 1P0033Z2 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)F 1P00344D [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)O 1P00344F [0,2,0,0,0,0|2,0,0]=4 3184 B12R1.19 OC(=O)Cc1ccc(c(c1)F)Br 1P003LEV [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C 1P002SNC [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.19 OC(=O)Cc1ccc(c(c1)F)Cl 1P00GSV5 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.19 OC(=O)Cc1ccc(c(c1)F)F 1P0033Z7 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.19 OC(=O)Cc1ccc(c(c1)F)I 1P000SK2 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N 1P0032TI [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O 1P003JWL [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.19 OC(=O)Cc1ccc(c(c1)I)Cl 1P027WA3 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.19 OC(=O)Cc1ccc(c(c1)N)C 1P00DNFM [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.19 OC(=O)Cc1ccc(c(c1)N)N 1P00EK8C [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.19 OC(=O)Cc1ccc(c(c1)N)O 1P00BZYS [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.19 OC(=O)Cc1ccc(c(c1)O)Br 1P01B7XA [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.19 OC(=O)Cc1ccc(c(c1)O)C 1P0090I0 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.19 OC(=O)Cc1ccc(c(c1)O)O 1P0006PK [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.20 BrC(c1ccc(cc1)Cl)C(=O)O 1P003O8K [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.20 BrC(c1ccc(cc1)F)C(=O)N 1P019Q4F [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.20 BrC(c1ccc(cc1)F)C(=O)O 1P002YDD [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.20 CC(=C)C(c1ccc(cc1)C)O 1P0285PR [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.20 CC(=O)C(c1ccc(cc1)C)Br 1P028OSI [0,2,0,0,0,0|1,0,0]=3 3203 B12R1.20 CC(c1ccc(cc1)Br)C(=O)N 1P01ENFZ [0,2,0,0,0,0|2,0,0]=4 3204 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O 1P00DC2L [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O 1P003FCJ [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.20 CC(c1ccc(cc1)F)C(=O)O 1P003FD3 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.20 CC(c1ccc(cc1)I)C(=O)O 1P00CKVO [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P00EEDL [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P01EM3O [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.20 CN(c1ccc(cc1)Br)C(=O)C 1P00DBAL [0,2,0,0,0,0|1,0,0]=3 3211 B12R1.20 CN(c1ccc(cc1)Br)C(=O)Cl 1P028TW1 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.20 CN(c1ccc(cc1)F)C(=O)Cl 1P01B273 [0,2,0,0,0,0|2,0,0]=4 3213 B12R1.20 CN(c1ccc(cc1)N)C(=O)C 1P000PGO [0,2,0,0,0,0|1,0,0]=3 3214 B12R1.20 CN(c1ccc(cc1)O)C(=O)C 1P00F000 [0,2,0,0,0,0|1,0,0]=3 3215 B12R1.20 CN(c1ccc(cc1)O)C(=O)N 1P01AAUZ [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)C(O)=O 1P01KXOO [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.20 C[C@@H](c1ccc(cc1)F)C(=O)O 1P01EKOW [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.20 C[C@@H](c1ccc(cc1)N)C(=O)O 1P023Q4E [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.20 C[C@H](c1ccc(cc1)Br)C(=O)O 1P01KAL6 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.20 C[C@H](c1ccc(cc1)C)C(=O)O 1P003FDU [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.20 C[C@H](c1ccc(cc1)F)C(=O)O 1P01EKMV [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.20 C[C@H](c1ccc(cc1)N)C(=O)O 1P00KNLZ [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.20 Cc1ccc(cc1)C(=O)C(=C)C 1P01IZPH [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)C 1P01BV4Z [0,2,0,0,0,0|1,0,0]=3 3225 B12R1.20 Cc1ccc(cc1)N(C(=O)C)C 1P00F3FS [0,2,0,0,0,0|1,0,0]=3 3226 B12R1.20 Cc1ccc(cc1)N(C(=O)C)N 1P0289RT [0,2,0,0,0,0|1,0,0]=3 3227 B12R1.20 ClC(=O)C(c1ccc(cc1)Cl)Cl 1P028RD3 [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.20 ClC(c1ccc(cc1)Br)C(=O)N 1P01ABIW [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.20 ClC(c1ccc(cc1)F)C(=O)C 1P002MZZ [0,2,0,0,0,0|1,0,0]=3 3230 B12R1.20 ClC(c1ccc(cc1)F)C(=O)N 1P01AAHM [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.20 FC(c1ccc(cc1)C)C(=O)O 1P01UOKD [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.20 FC(c1ccc(cc1)Cl)C(=O)O 1P01FPC6 [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.20 FC(c1ccc(cc1)F)C(=O)O 1P01DVWA [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.20 FC(c1ccc(cc1)I)C(=O)O 1P0293FT [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P01A8BO [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P027W1O [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P000ZPI [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P00FHES [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P0010XE [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P027Z1V [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P019KLN [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P01AKZ7 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)O 1P00IBFY [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.20 NC(c1ccc(cc1)F)C(=O)C 1P01EPFH [0,2,0,0,0,0|1,0,0]=3 3245 B12R1.20 NC(c1ccc(cc1)F)C(=O)N 1P00ACGK [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.20 NC(c1ccc(cc1)F)C(=O)O 1P003LWU [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P004RAU [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P01DE3O [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P008UK2 [0,2,0,0,0,0|2,0,0]=4 3250 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P01KKTJ [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.20 N[C@@H](c1ccc(cc1)Cl)C(=O)O 1P0036F2 [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.20 N[C@@H](c1ccc(cc1)F)C(=O)O 1P002C8A [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P009ZVZ [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P01DUMM [0,2,0,0,0,0|2,0,0]=4 3255 B12R1.20 N[C@H](c1ccc(cc1)C)C(=O)O 1P00FHGP [0,2,0,0,0,0|2,0,0]=4 3256 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P008451 [0,2,0,0,0,0|2,0,0]=4 3257 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P00D9LT [0,2,0,0,0,0|2,0,0]=4 3258 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P001KKC [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P003LW2 [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.20 Nc1ccc(nc1)N(C(=O)C)C 1P01C3VK [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.20 O=C(c1ccc(cc1)Br)C(=O)N 1P003OHH [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.20 O=C(c1ccc(cc1)Br)C(=O)O 1P00FFT5 [0,2,0,0,0,0|2,0,0]=4 3263 B12R1.20 O=C(c1ccc(cc1)C)C(=O)O 1P005RW4 [0,2,0,0,0,0|2,0,0]=4 3264 B12R1.20 O=C(c1ccc(cc1)Cl)C(=O)C 1P008RO5 [0,2,0,0,0,0|1,0,0]=3 3265 B12R1.20 O=C(c1ccc(cc1)Cl)C(=O)O 1P00FDPH [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.20 O=C(c1ccc(cc1)F)C(=O)Cl 1P00859C [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.20 O=C(c1ccc(cc1)F)C(=O)O 1P00I4WN [0,2,0,0,0,0|2,0,0]=4 3268 B12R1.20 O=C(c1ccc(cc1)I)C(=O)O 1P01JMN8 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.20 O=C(c1ccc(cc1)N)C(=O)O 1P00ACUO [0,2,0,0,0,0|2,0,0]=4 3270 B12R1.20 O=C(c1ccc(cc1)O)C(=C)C 1P01C7L2 [0,2,0,0,0,0|2,0,0]=4 3271 B12R1.20 OC(=O)C(c1ccc(cc1)O)C 1P003FD8 [0,2,0,0,0,0|2,0,0]=4 3272 B12R1.20 OC(=O)C(c1ccc(cc1)O)N 1P00IIBK [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P000Q5A [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P003Q9T [0,2,0,0,0,0|2,0,0]=4 3275 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)C 1P01ENKQ [0,2,0,0,0,0|2,0,0]=4 3276 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)N 1P007O5Y [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)C 1P01EQYU [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N 1P0034J0 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)O 1P009JAJ [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.20 OC(c1ccc(cc1)Br)C(=O)O 1P003LGT [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.20 OC(c1ccc(cc1)C)C(=O)O 1P00AQ8R [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.20 OC(c1ccc(cc1)Cl)C(=O)O 1P003LO4 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.20 OC(c1ccc(cc1)F)C(=O)O 1P003LW7 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P01A1GU [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P02013Q [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.20 OC(c1ccc(cc1)O)C(=O)[O-] 1P00FACZ [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(=O)O 1P00HHRY [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.20 O[C@@H](c1ccc(cc1)C)C(=O)O 1P0282AZ [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.20 O[C@@H](c1ccc(cc1)Cl)C(=O)O 1P005Y97 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.20 O[C@@H](c1ccc(cc1)F)C(=O)O 1P01XDB0 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.20 O[C@H](c1ccc(cc1)Br)C(=O)O 1P00BYDC [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.20 O[C@H](c1ccc(cc1)C)C(=O)O 1P003HU9 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.20 O[C@H](c1ccc(cc1)Cl)C(=O)O 1P0037U2 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.20 Oc1ccc(cc1)C(=O)C(=O)O 1P001OMC [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.49 BrCC(=O)Cc1ccc(cc1)Cl 1P0094XY [0,2,0,0,0,0|1,0,0]=3 3296 B12R1.49 BrCC(=O)Nc1ccc(cc1)Br 1P00DGDC [0,2,0,0,0,0|1,0,0]=3 3297 B12R1.49 BrCC(=O)Nc1ccc(cc1)C 1P00DDJO [0,2,0,0,0,0|1,0,0]=3 3298 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1P004M6D [0,2,0,0,0,0|1,0,1]=4 3299 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1P001CD2 [0,2,0,0,0,0|1,0,1]=4 3300 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1P00DIZX [0,2,0,0,0,0|1,0,1]=4 3301 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1P00ELP0 [0,2,0,0,0,0|1,0,1]=4 3302 B12R1.49 C=CC(=O)Nc1ccc(cc1)N 1P005MVC [0,2,0,0,0,0|1,0,1]=4 3303 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 1P00D25L [0,2,0,0,0,0|1,0,1]=4 3304 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1P00BJYB [0,2,0,0,0,0|1,0,0]=3 3305 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1P003DHA [0,2,0,0,0,0|1,0,0]=3 3306 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1P01B5H3 [0,2,0,0,0,0|1,0,0]=3 3307 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1P00KLWN [0,2,0,0,0,0|1,0,0]=3 3308 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1P00IHD6 [0,2,0,0,0,0|1,0,0]=3 3309 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1P028YMZ [0,2,0,0,0,0|1,0,0]=3 3310 B12R1.49 CCC(=O)Nc1ccc(cc1)N 1P00IB21 [0,2,0,0,0,0|1,0,0]=3 3311 B12R1.49 CCC(=O)Nc1ccc(cc1)N 1P019V6U [0,2,0,0,0,0|1,0,0]=3 3312 B12R1.49 CCC(=O)Nc1ccc(cc1)O 1P007B3B [0,2,0,0,0,0|1,0,0]=3 3313 B12R1.49 CCC(=O)Oc1ccc(cc1)Br 1P00C2IF [0,2,0,0,0,0|0,0,0]=2 3314 B12R1.49 CCC(Oc1ccc(cc1)Br)C 1P019YC2 [0,2,0,0,0,0|1,0,1]=4 3315 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00EEKR [0,2,0,0,0,0|1,0,1]=4 3316 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00J278 [0,2,0,0,0,0|1,0,1]=4 3317 B12R1.49 CCC(Oc1ccc(cc1)O)C 1P0068LX [0,2,0,0,0,0|1,0,1]=4 3318 B12R1.49 CNC(=N)Nc1ccc(cc1)F 1P01BDSH [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 1P005QNZ [0,2,0,0,0,0|1,0,0]=3 3320 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 1P00IB5K [0,2,0,0,0,0|1,0,0]=3 3321 B12R1.49 CNC(=O)Cc1ccc(cc1)N 1P00C996 [0,2,0,0,0,0|1,0,0]=3 3322 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1P002XUE [0,2,0,0,0,0|1,0,0]=3 3323 B12R1.49 CNC(=O)Nc1ccc(cc1)N 1P0083DE [0,2,0,0,0,0|1,0,0]=3 3324 B12R1.49 CNC(=S)Nc1ccc(cc1)Br 1P00EM4P [0,2,0,0,0,0|1,1,0]=4 3325 B12R1.49 COC(=O)Cc1ccc(cc1)Br 1P0035O5 [0,2,0,0,0,0|1,0,0]=3 3326 B12R1.49 COC(=O)Cc1ccc(cc1)C 1P003SCO [0,2,0,0,0,0|1,0,0]=3 3327 B12R1.49 COC(=O)Cc1ccc(cc1)Cl 1P00I9UH [0,2,0,0,0,0|1,0,0]=3 3328 B12R1.49 COC(=O)Cc1ccc(cc1)F 1P00C7YP [0,2,0,0,0,0|1,0,0]=3 3329 B12R1.49 COC(=O)Cc1ccc(cc1)I 1P00EKZB [0,2,0,0,0,0|1,0,0]=3 3330 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00BZSM [0,2,0,0,0,0|1,0,0]=3 3331 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00G39W [0,2,0,0,0,0|1,0,0]=3 3332 B12R1.49 COC(=O)Cc1ccc(cc1)O 1P001HYQ [0,2,0,0,0,0|1,0,0]=3 3333 B12R1.49 COC(=O)Cc1ccc(cn1)Br 1P00IHB5 [0,2,0,0,0,0|2,0,0]=4 3334 B12R1.49 COC(=O)Cc1ccc(cn1)C 1P002CLY [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.49 COC(=O)Cc1ccc(cn1)N 1P00ACBG [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.49 COC(=O)Cc1ccc(nc1)Br 1P01FLZV [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.49 COC(=O)Cc1ccc(nc1)C 1P00H1IK [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.49 COC(=O)Cc1ccc(nc1)Cl 1P0036JA [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.49 COC(=O)Nc1ccc(cc1)Br 1P00BXOG [0,2,0,0,0,0|1,0,0]=3 3340 B12R1.49 COC(=O)Nc1ccc(cc1)Cl 1P01H69Z [0,2,0,0,0,0|1,0,0]=3 3341 B12R1.49 COC(=O)Nc1ccc(cc1)N 1P00F4FV [0,2,0,0,0,0|1,0,0]=3 3342 B12R1.49 COC(=O)Nc1ccc(cc1)O 1P019VCY [0,2,0,0,0,0|1,0,0]=3 3343 B12R1.49 COC(=O)Nc1ccc(cn1)Br 1P002JU4 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.49 ClCC(=O)Cc1ccc(cc1)Br 1P00JTS9 [0,2,0,0,0,0|1,0,0]=3 3345 B12R1.49 ClCC(=O)Cc1ccc(cc1)C 1P00JTS0 [0,2,0,0,0,0|1,0,0]=3 3346 B12R1.49 ClCC(=O)Cc1ccc(cc1)Cl 1P00JTRT [0,2,0,0,0,0|1,0,0]=3 3347 B12R1.49 ClCC(=O)Cc1ccc(cc1)F 1P0030FU [0,2,0,0,0,0|1,0,0]=3 3348 B12R1.49 ClCC(=O)Nc1ccc(cc1)Br 1P00BE6R [0,2,0,0,0,0|1,0,0]=3 3349 B12R1.49 ClCC(=O)Nc1ccc(cc1)C 1P00AP37 [0,2,0,0,0,0|1,0,0]=3 3350 B12R1.49 ClCC(=O)Nc1ccc(cc1)Cl 1P00BZHF [0,2,0,0,0,0|1,0,0]=3 3351 B12R1.49 ClCC(=O)Nc1ccc(cc1)F 1P003SUS [0,2,0,0,0,0|1,0,0]=3 3352 B12R1.49 ClCC(=O)Nc1ccc(cc1)I 1P00BDHQ [0,2,0,0,0,0|1,0,0]=3 3353 B12R1.49 ClCC(=O)Nc1ccc(cc1)O 1P00BC8D [0,2,0,0,0,0|1,0,0]=3 3354 B12R1.49 ClCC(=O)Nc1ccc(cn1)Br 1P001GW7 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.49 ClCC(=O)Nc1ccc(cn1)C 1P009E76 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.49 ClCC(=O)Nc1ccc(cn1)C 1P028TKC [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.49 ClCC(=O)Nc1ccc(cn1)Cl 1P006GUG [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.49 ClCC(=O)Nc1ccc(cn1)Cl 1P00J490 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.49 ClCC(=O)Nc1ccc(cn1)F 1P0287PP [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.49 ClCC(=O)Nc1ccc(nc1)Cl 1P00KNE0 [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.49 ClCC(=O)Nc1ccc(nc1)Cl 1P01B5L1 [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.49 NCC(=O)Cc1ccc(cc1)Br 1P01B8A1 [0,2,0,0,0,0|1,0,0]=3 3363 B12R1.49 NCC(=O)Cc1ccc(cc1)F 1P01BFX6 [0,2,0,0,0,0|1,0,0]=3 3364 B12R1.49 NCC(=O)Nc1ccc(cc1)Br 1P019W0A [0,2,0,0,0,0|1,0,0]=3 3365 B12R1.49 NCC(=O)Nc1ccc(cc1)Cl 1P019X5Y [0,2,0,0,0,0|1,0,0]=3 3366 B12R1.49 NCC(=O)Nc1ccc(cc1)F 1P00HVKO [0,2,0,0,0,0|1,0,0]=3 3367 B12R1.49 NCC(=O)Nc1ccc(cc1)I 1P01BA3Q [0,2,0,0,0,0|1,0,0]=3 3368 B12R1.49 NCC(=O)Nc1ccc(cc1)N 1P01EKIF [0,2,0,0,0,0|1,0,0]=3 3369 B12R1.49 NCC(=O)Nc1ccc(cc1)O 1P01A82U [0,2,0,0,0,0|1,0,0]=3 3370 B12R1.49 NCC(Oc1ccc(cc1)Br)C 1P00GSIM [0,2,0,0,0,0|1,0,1]=4 3371 B12R1.49 NCC(Oc1ccc(cc1)C)C 1P00EADF [0,2,0,0,0,0|1,0,1]=4 3372 B12R1.49 NCC(Oc1ccc(cc1)Cl)C 1P019T0M [0,2,0,0,0,0|1,0,1]=4 3373 B12R1.49 NCC(Oc1ccc(cc1)F)C 1P00IFSK [0,2,0,0,0,0|1,0,1]=4 3374 B12R1.49 NNC(=O)Cc1ccc(cc1)Br 1P00EAQB [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.49 NNC(=O)Cc1ccc(cc1)C 1P00EEHZ [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.49 NNC(=O)Cc1ccc(cc1)Cl 1P00E9QF [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P00BYWL [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P01DJR3 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.49 NNC(=O)Cc1ccc(cc1)N 1P027MP7 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.49 NNC(=O)Cc1ccc(cc1)O 1P0028UY [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.49 NNC(=O)Nc1ccc(cc1)Br 1P002TRV [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.49 NNC(=O)Nc1ccc(cc1)Cl 1P005XDF [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.49 NNC(=O)Nc1ccc(cc1)F 1P007YC2 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.49 O=C\C(=C\c1ccc(cc1)Cl)\C 1P01EBOP [0,2,0,0,0,0|1,0,0]=3 3385 B12R1.49 OCC(=O)Cc1ccc(cc1)F 1P019Z6K [0,2,0,0,0,0|1,0,0]=3 3386 B12R1.49 OCC(=O)Nc1ccc(cc1)C 1P007JK3 [0,2,0,0,0,0|1,0,0]=3 3387 B12R1.49 OCC(=O)Nc1ccc(cc1)Cl 1P01B5LO [0,2,0,0,0,0|1,0,0]=3 3388 B12R1.49 OCC(=O)Nc1ccc(cc1)N 1P01DEDA [0,2,0,0,0,0|1,0,0]=3 3389 B12R1.49 OC[C@@H](Oc1ccc(cc1)Cl)C 1P004KL8 [0,2,0,0,0,0|0,0,2]=4 3390 B12R1.49 ONC(=O)Cc1ccc(cc1)Br 1P019XE1 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.49 ONC(=O)Cc1ccc(cc1)C 1P019X7E [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.49 ONC(=O)Cc1ccc(cc1)Cl 1P019XEP [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.49 ONC(=O)Cc1ccc(cc1)F 1P019XEM [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.49 ONC(=O)Cc1ccc(cc1)N 1P028WN8 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.49 SCC(=O)Nc1ccc(cc1)F 1P005JCY [0,2,0,0,0,0|1,0,0]=3 3396 B12R1.106 Brc1ccc(cc1)CP(=O)(C)C 1P01WT9V [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.106 Brc1ccc(cc1)CS(=O)(=N)C 1P028EFQ [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)C 1P00C1QB [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.106 Brc1ccc(cc1)N=S(=O)(C)C 1P01C5XT [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.106 Brc1ccc(cc1)NS(=O)(=O)C 1P0035R7 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.106 Brc1ccc(cc1)OS(=O)(=O)F 1P028I6W [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.106 Brc1ccc(cc1)O[Si](C)(C)C 1P0026RQ [0,2,0,0,0,0|1,1,0]=4 3403 B12R1.106 Brc1ccc(cn1)OS(=O)(=O)C 1P0288QW [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.106 CC(Oc1ccc(cc1)Br)(C)C 1P003EL9 [0,2,0,0,0,0|1,0,1]=4 3405 B12R1.106 CC(Oc1ccc(cc1)Cl)(C)C 1P002ENI [0,2,0,0,0,0|1,0,1]=4 3406 B12R1.106 CC(Oc1ccc(cc1)N)(C)C 1P00EIVX [0,2,0,0,0,0|1,0,1]=4 3407 B12R1.106 CC(Oc1ccc(cc1)O)(C)C 1P002P69 [0,2,0,0,0,0|1,0,1]=4 3408 B12R1.106 Cc1ccc(cc1)OC(C)(C)C 1P007YFR [0,2,0,0,0,0|1,0,1]=4 3409 B12R1.106 Cc1ccc(cc1)OS(=O)(=O)C 1P01G5LI [0,2,0,0,0,0|1,0,0]=3 3410 B12R1.106 Cc1ccc(cc1)OS(=O)(=O)[O-] 1P00GXZS [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.106 Clc1ccc(cc1)OP(=O)(Cl)Cl 1P003LON [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.106 Clc1ccc(cc1)OS(=O)(=O)Cl 1P01AJJA [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.106 Ic1ccc(cc1)NS(=O)(=O)C 1P0007LU [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.106 Nc1ccc(cc1)CS(=O)(=O)C 1P00CD5J [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.106 Nc1ccc(cc1)NS(=O)(=O)C 1P003KPU [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.106 Nc1ccc(cc1)OP(=O)(O)[O-] 1P008TAF [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.106 Nc1ccc(cc1)OS(=O)(=O)F 1P028FYN [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.106 Oc1ccc(cc1)N=S(=O)(C)C 1P01C3IU [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.106 Oc1ccc(cc1)NS(=O)(=O)C 1P00DET1 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.106 Oc1ccc(cc1)OP(=O)(O)O 1P028CAE [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.106 Oc1ccc(cc1)OS(=O)(=O)[O-] 1P003RFO [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.106 Sc1ccc(cc1)NS(=O)(=O)C 1P028HEK [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1P01AIPZ [0,2,0,0,0,0|1,0,0]=3 3424 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1P003G88 [0,2,0,0,0,0|1,0,0]=3 3425 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1P00GNXK [0,2,0,0,0,0|1,0,0]=3 3426 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1P01AHAO [0,2,0,0,0,0|1,0,0]=3 3427 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1P01DVOG [0,2,0,0,0,0|1,0,0]=3 3428 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1P00BDJ5 [0,2,0,0,0,0|1,0,0]=3 3429 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1P003H57 [0,2,0,0,0,0|1,0,0]=3 3430 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1P00EC45 [0,2,0,0,0,0|1,0,0]=3 3431 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1P0003LJ [0,2,0,0,0,0|1,0,0]=3 3432 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1P003LDU [0,2,0,0,0,0|1,0,0]=3 3433 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1P002A9V [0,2,0,0,0,0|1,0,0]=3 3434 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1P00BZ68 [0,2,0,0,0,0|1,0,0]=3 3435 B12R1.233 CC(=O)Nc1ccc(cc1C)N 1P00EAK3 [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1P003LCV [0,2,0,0,0,0|1,0,0]=3 3437 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1P003G7M [0,2,0,0,0,0|1,0,0]=3 3438 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1P003BNN [0,2,0,0,0,0|1,0,0]=3 3439 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1P008077 [0,2,0,0,0,0|1,0,0]=3 3440 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N 1P003T46 [0,2,0,0,0,0|1,0,0]=3 3441 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1P003LDD [0,2,0,0,0,0|1,0,0]=3 3442 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1P01BGG6 [0,2,0,0,0,0|1,0,0]=3 3443 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1P003LJP [0,2,0,0,0,0|1,0,0]=3 3444 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1P003G90 [0,2,0,0,0,0|1,0,0]=3 3445 B12R1.233 CC(=O)Nc1ccc(cc1F)O 1P021KAI [0,2,0,0,0,0|1,0,0]=3 3446 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1P00DGPG [0,2,0,0,0,0|1,0,0]=3 3447 B12R1.233 CC(=O)Nc1ccc(cc1N)Br 1P00J7LY [0,2,0,0,0,0|1,0,0]=3 3448 B12R1.233 CC(=O)Nc1ccc(cc1N)C 1P00DD4L [0,2,0,0,0,0|1,0,0]=3 3449 B12R1.233 CC(=O)Nc1ccc(cc1N)Cl 1P00DDLR [0,2,0,0,0,0|1,0,0]=3 3450 B12R1.233 CC(=O)Nc1ccc(cc1O)C 1P009EB6 [0,2,0,0,0,0|1,0,0]=3 3451 B12R1.233 CC(=O)Nc1ccc(nc1C)N 1P01XCWW [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.233 CC(=O)Nc1ncc(cc1C)Br 1P003GRY [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.233 CC(=O)Oc1c[nH]c(=O)[nH]c1=O 1P00CKOH [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.233 CC(=O)Oc1ccc(cc1Br)Cl 1P00IKJR [0,2,0,0,0,0|0,0,0]=2 3455 B12R1.233 CC(=O)Oc1ccc(cc1C)Br 1P01AFPG [0,2,0,0,0,0|0,0,0]=2 3456 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Br 1P01BIUD [0,2,0,0,0,0|0,0,0]=2 3457 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl 1P00EB3F [0,2,0,0,0,0|0,0,0]=2 3458 B12R1.233 CC(Oc1ccc(cc1Br)F)C 1P0028YV [0,2,0,0,0,0|1,0,1]=4 3459 B12R1.233 CC(Oc1ccc(cc1Br)N)C 1P01A0FP [0,2,0,0,0,0|1,0,1]=4 3460 B12R1.233 CC(Oc1ccc(cc1C)Br)C 1P00ID1V [0,2,0,0,0,0|1,0,1]=4 3461 B12R1.233 CC(Oc1ccc(cc1C)N)C 1P01ALD5 [0,2,0,0,0,0|1,0,1]=4 3462 B12R1.233 CC(Oc1ccc(cc1Cl)Br)C 1P0028CF [0,2,0,0,0,0|1,0,1]=4 3463 B12R1.233 CC(Oc1ccc(cc1Cl)N)C 1P00C71J [0,2,0,0,0,0|1,0,1]=4 3464 B12R1.233 CC(Oc1ccc(cc1Cl)N)C 1P00DDCZ [0,2,0,0,0,0|1,0,1]=4 3465 B12R1.233 CC(Oc1ccc(cc1F)Br)C 1P0028YU [0,2,0,0,0,0|1,0,1]=4 3466 B12R1.233 CC(Oc1ccc(cc1F)F)C 1P00BIIF [0,2,0,0,0,0|1,0,1]=4 3467 B12R1.233 CC(Oc1ccc(cc1F)N)C 1P00IKF5 [0,2,0,0,0,0|1,0,1]=4 3468 B12R1.233 CC(Oc1ccc(cc1N)Br)C 1P0006HS [0,2,0,0,0,0|1,0,1]=4 3469 B12R1.233 CC(Oc1ccc(cc1N)Cl)C 1P01BCFA [0,2,0,0,0,0|1,0,1]=4 3470 B12R1.233 CC(Oc1ccc(cc1N)F)C 1P0006ID [0,2,0,0,0,0|1,0,1]=4 3471 B12R1.233 ClC(=O)Oc1ccc(cc1C)F 1P01BHX6 [0,2,0,0,0,0|1,0,0]=3 3472 B12R1.233 ClC(=O)Oc1ccc(cc1F)Br 1P01ACSO [0,2,0,0,0,0|1,0,0]=3 3473 B12R1.233 ClC(=O)Oc1ccc(cc1F)F 1P01B8ML [0,2,0,0,0,0|1,0,0]=3 3474 B12R1.233 NC(=O)Cc1ccc(cc1C)Br 1P01C8KF [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.233 NC(=O)Cc1ccc(cc1Cl)Cl 1P01KL86 [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.233 NC(=O)Cc1ccc(cc1F)F 1P01B9TF [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.233 NC(=O)Nc1ccc(cc1C)C 1P003GBD [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.233 OC(=O)Cc1ccc(cc1Br)Br 1P00IKJT [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.233 OC(=O)Cc1ccc(cc1Br)C 1P01C1S1 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl 1P00DEPF [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.233 OC(=O)Cc1ccc(cc1Br)F 1P003H50 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.233 OC(=O)Cc1ccc(cc1Br)O 1P004AF7 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.233 OC(=O)Cc1ccc(cc1C)Br 1P00IE42 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.233 OC(=O)Cc1ccc(cc1C)C 1P003GBA [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.233 OC(=O)Cc1ccc(cc1C)Cl 1P01A4I7 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.233 OC(=O)Cc1ccc(cc1C)F 1P003LU3 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.233 OC(=O)Cc1ccc(cc1C)N 1P00I7CP [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.233 OC(=O)Cc1ccc(cc1C)O 1P00BKCL [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.233 OC(=O)Cc1ccc(cc1Cl)Br 1P00390E [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.233 OC(=O)Cc1ccc(cc1Cl)C 1P01A0L2 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.233 OC(=O)Cc1ccc(cc1Cl)Cl 1P002B4A [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.233 OC(=O)Cc1ccc(cc1Cl)F 1P00265T [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.233 OC(=O)Cc1ccc(cc1Cl)N 1P01KLD4 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.233 OC(=O)Cc1ccc(cc1Cl)O 1P01A0FB [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.233 OC(=O)Cc1ccc(cc1F)Br 1P000FUW [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.233 OC(=O)Cc1ccc(cc1F)C 1P003BOP [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.233 OC(=O)Cc1ccc(cc1F)Cl 1P003LJY [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.233 OC(=O)Cc1ccc(cc1F)F 1P0032PX [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.233 OC(=O)Cc1ccc(cc1F)N 1P00GS6Z [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.233 OC(=O)Cc1ccc(cc1F)O 1P005O4M [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.233 OC(=O)Cc1ccc(cc1I)Br 1P01FQJ6 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.233 OC(=O)Cc1ccc(cc1I)Cl 1P01JYXV [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.233 OC(=O)Cc1ccc(cc1I)F 1P027Y1Y [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.233 OC(=O)Cc1ccc(cc1N)Br 1P000SES [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.233 OC(=O)Cc1ccc(cc1N)Cl 1P00265U [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.233 OC(=O)Cc1ccc(cc1O)Br 1P000S96 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.233 OC(=O)Cc1ccc(cc1O)O 1P00EDBR [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.34 BrCC(=O)C(=O)c1ccccc1 1P028GI7 [0,2,0,0,0,0|1,0,0]=3 3509 B12R1.34 BrCC(=O)N(c1ccccc1)C 1P002Y2Q [0,2,0,0,0,0|1,0,0]=3 3510 B12R1.34 C=CC(=O)N(c1ccccc1)C 1P00F3YG [0,2,0,0,0,0|1,0,1]=4 3511 B12R1.34 CCC(=O)C(=O)c1ccccc1 1P01EKKA [0,2,0,0,0,0|1,0,0]=3 3512 B12R1.34 CNC(=O)C(c1ccccc1)N 1P00J2L9 [0,2,0,0,0,0|1,0,0]=3 3513 B12R1.34 CNC(=O)C(c1ccccc1)O 1P01K16T [0,2,0,0,0,0|1,0,0]=3 3514 B12R1.34 CNC(=O)[C@@H](c1ccccc1)N 1P01A3EY [0,2,0,0,0,0|1,0,0]=3 3515 B12R1.34 CNC(=O)[C@H](c1ccccc1)O 1P01K16S [0,2,0,0,0,0|1,0,0]=3 3516 B12R1.34 COC(=O)C(=C)c1ccccc1 1P00AT0S [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.34 COC(=O)C(=O)c1ccccc1 1P003SG4 [0,2,0,0,0,0|1,0,0]=3 3518 B12R1.34 COC(=O)C(c1ccccc1)Br 1P0030JE [0,2,0,0,0,0|1,0,0]=3 3519 B12R1.34 COC(=O)C(c1ccccc1)C 1P00C790 [0,2,0,0,0,0|1,0,0]=3 3520 B12R1.34 COC(=O)C(c1ccccc1)Cl 1P003S3V [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.34 COC(=O)C(c1ccccc1)F 1P00AMHM [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.34 COC(=O)C(c1ccccc1)N 1P003OHI [0,2,0,0,0,0|1,0,0]=3 3523 B12R1.34 COC(=O)C(c1ccccc1)N 1P00BFQQ [0,2,0,0,0,0|1,0,0]=3 3524 B12R1.34 COC(=O)C(c1ccccc1)O 1P00DEAI [0,2,0,0,0,0|1,0,0]=3 3525 B12R1.34 COC(=O)C(c1ccccn1)C 1P01ALE7 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.34 COC(=O)C(c1ccccn1)N 1P003S2Z [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.34 COC(=O)C(c1ccccn1)N 1P00HUMZ [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.34 COC(=O)C(c1ccccn1)O 1P028U92 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.34 COC(=O)C(c1cccnc1)C 1P00HYOR [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.34 COC(=O)C(c1cccnc1)Cl 1P01A1WF [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.34 COC(=O)C(c1cccnc1)N 1P01APMY [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.34 COC(=O)C(c1cccnc1)O 1P01ABZ8 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.34 COC(=O)C(c1cccnc1)O 1P01W2TQ [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.34 COC(=O)C(c1ccncc1)C 1P01AKQX [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.34 COC(=O)C(c1ccncc1)N 1P003S31 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.34 COC(=O)[C@@H](c1ccccc1)C 1P00I772 [0,2,0,0,0,0|1,0,0]=3 3537 B12R1.34 COC(=O)[C@@H](c1ccccc1)N 1P00I44U [0,2,0,0,0,0|1,0,0]=3 3538 B12R1.34 COC(=O)[C@@H](c1ccccc1)O 1P003PO8 [0,2,0,0,0,0|1,0,0]=3 3539 B12R1.34 COC(=O)[C@@H](c1cccnc1)O 1P028F36 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.34 COC(=O)[C@H](c1ccccc1)N 1P0039EX [0,2,0,0,0,0|1,0,0]=3 3541 B12R1.34 COC(=O)[C@H](c1ccccc1)O 1P003RNG [0,2,0,0,0,0|1,0,0]=3 3542 B12R1.34 COC(=O)[C@H](c1cccnc1)O 1P028EE9 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.34 ClCC(=O)N(c1ccccc1)C 1P002SP8 [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.34 NCC(=O)N(c1ccccc1)C 1P000TUK [0,2,0,0,0,0|1,0,0]=3 3545 B12R1.34 NCC(=O)N(c1ccccc1)N 1P002XU7 [0,2,0,0,0,0|1,0,0]=3 3546 B12R1.34 NNC(=O)C(c1ccccc1)N 1P027VHP [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.34 NNC(=O)C(c1ccccc1)O 1P003RWC [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.34 NNC(=O)[C@@H](c1ccccc1)O 1P003CPR [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.34 OCC(=O)N(c1ccccc1)C 1P00C14Y [0,2,0,0,0,0|1,0,0]=3 3550 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C 1P003F28 [0,2,0,0,0,0|1,0,1]=4 3551 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C 1P01G5UK [0,2,0,0,0,0|1,0,1]=4 3552 B12R1.124 CC(=C)C(=O)c1ccccc1N 1P01BA7Q [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.124 CC(=O)C(c1ccccc1Br)Br 1P0292SH [0,2,0,0,0,0|1,0,0]=3 3554 B12R1.124 CC(=O)N(c1ccccc1N)C 1P00CCJE [0,2,0,0,0,0|1,0,0]=3 3555 B12R1.124 ClC(=O)N(c1ccccc1Cl)C 1P028ARK [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AE8U [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AJXQ [0,2,0,0,0,0|2,0,0]=4 3558 B12R1.124 O=C(O)C(F)C1=CC=CC=C1F 1P01K6C1 [0,2,0,0,0,0|2,0,0]=4 3559 B12R1.124 OC(=O)C(=O)c1ccccc1Br 1P00C2CO [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.124 OC(=O)C(=O)c1ccccc1C 1P01JML1 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.124 OC(=O)C(=O)c1ccccc1Cl 1P002S7X [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.124 OC(=O)C(=O)c1ccccc1F 1P0052A8 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.124 OC(=O)C(=O)c1ccccc1O 1P028KJP [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.124 OC(=O)C(c1ccccc1Br)Br 1P01JWMC [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.124 OC(=O)C(c1ccccc1Br)C 1P00AOE4 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.124 OC(=O)C(c1ccccc1Br)F 1P00GSVC [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.124 OC(=O)C(c1ccccc1Br)N 1P00BD3T [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.124 OC(=O)C(c1ccccc1Br)O 1P005H7Z [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.124 OC(=O)C(c1ccccc1C)C 1P01A6R5 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.124 OC(=O)C(c1ccccc1C)F 1P01NLK6 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.124 OC(=O)C(c1ccccc1C)N 1P000ZP4 [0,2,0,0,0,0|2,0,0]=4 3572 B12R1.124 OC(=O)C(c1ccccc1C)N 1P00IFAT [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.124 OC(=O)C(c1ccccc1Cl)Br 1P001GE9 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.124 OC(=O)C(c1ccccc1Cl)C 1P007PJ7 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.124 OC(=O)C(c1ccccc1Cl)Cl 1P028AEP [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.124 OC(=O)C(c1ccccc1Cl)F 1P01KXH4 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.124 OC(=O)C(c1ccccc1Cl)N 1P003B40 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.124 OC(=O)C(c1ccccc1Cl)O 1P003HJ9 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.124 OC(=O)C(c1ccccc1F)C 1P00FH6T [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.124 OC(=O)C(c1ccccc1F)Cl 1P028530 [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.124 OC(=O)C(c1ccccc1F)N 1P002NNL [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.124 OC(=O)C(c1ccccc1F)N 1P00ICKY [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.124 OC(=O)C(c1ccccc1F)O 1P003HSM [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.124 OC(=O)C(c1ccccc1I)F 1P0293A8 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.124 OC(=O)C(c1ccccc1I)N 1P01ELXB [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.124 OC(=O)C(c1ccccc1I)O 1P01DT8K [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.124 OC(=O)C(c1ccccc1O)N 1P002R85 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.124 OC(=O)[C@@H](c1ccccc1C)N 1P01KL0M [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.124 OC(=O)[C@@H](c1ccccc1Cl)N 1P008FMJ [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.124 OC(=O)[C@@H](c1ccccc1Cl)O 1P003CJE [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.124 OC(=O)[C@@H](c1ccccc1F)N 1P01KKG9 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O 1P00BXTS [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.124 OC(=O)[C@@H](c1ccccc1O)N 1P024G33 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.124 OC(=O)[C@H](c1ccccc1Br)N 1P000WEC [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.124 OC(=O)[C@H](c1ccccc1C)N 1P023PAX [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.124 OC(=O)[C@H](c1ccccc1Cl)N 1P001GND [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.124 OC(=O)[C@H](c1ccccc1Cl)O 1P003CX7 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.124 OC(=O)[C@H](c1ccccc1F)N 1P0201ZK [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.124 OC(=O)[C@H](c1ccccc1F)O 1P0020LV [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.124 OC(=O)[C@H](c1ccccc1O)N 1P024G2K [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.124 [O-]C(=O)C(=O)c1ccccc1N 1P0024X4 [0,2,0,0,0,0|2,0,0]=4 3602 B12R1.225 Brc1cccc(c1)C(=O)C(=O)O 1P00FHX6 [0,2,0,0,0,0|2,0,0]=4 3603 B12R1.225 CC(=O)C(c1cccc(c1)Cl)O 1P004PQB [0,2,0,0,0,0|1,0,0]=3 3604 B12R1.225 Cc1cccc(c1)C(=O)C(=O)N 1P01CA7I [0,2,0,0,0,0|2,0,0]=4 3605 B12R1.225 Cc1cccc(c1)C(=O)C(=O)O 1P01ADQJ [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.225 Cc1cccc(c1)N(C(=O)Cl)C 1P005GQ6 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.225 Clc1cccc(c1)C(=O)C(=O)O 1P00I5IY [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.225 Fc1cccc(c1)C(=O)C(=O)C 1P01DVEU [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.225 Fc1cccc(c1)C(=O)C(=O)O 1P019GGL [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.225 NC(=O)C(c1cccc(c1)Br)Cl 1P01A3ZO [0,2,0,0,0,0|2,0,0]=4 3611 B12R1.225 NC(=O)C(c1cccc(c1)Br)N 1P01A8CC [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.225 NC(=O)C(c1cccc(c1)F)N 1P01KKY3 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.225 Nc1cccc(c1)N(C(=O)C)C 1P00EJQR [0,2,0,0,0,0|1,0,0]=3 3614 B12R1.225 Nc1cccc(c1)N(C(=O)N)C 1P01BG21 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.225 O=C(O)C(F)C1=CC=CC(F)=C1 1P01K6BZ [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.225 OC(=O)C(c1cccc(c1)Br)C 1P00I9XV [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.225 OC(=O)C(c1cccc(c1)Br)Cl 1P01BCE7 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.225 OC(=O)C(c1cccc(c1)Br)F 1P0291R9 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.225 OC(=O)C(c1cccc(c1)Br)N 1P0052H0 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.225 OC(=O)C(c1cccc(c1)Br)N 1P01S76W [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.225 OC(=O)C(c1cccc(c1)Br)O 1P006YDP [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.225 OC(=O)C(c1cccc(c1)C)C 1P00ICWE [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.225 OC(=O)C(c1cccc(c1)C)F 1P01NLFK [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.225 OC(=O)C(c1cccc(c1)C)N 1P00DL85 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.225 OC(=O)C(c1cccc(c1)C)O 1P00EBRY [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.225 OC(=O)C(c1cccc(c1)Cl)Br 1P01BCWP [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.225 OC(=O)C(c1cccc(c1)Cl)C 1P009BXZ [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.225 OC(=O)C(c1cccc(c1)Cl)Cl 1P01DWEP [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.225 OC(=O)C(c1cccc(c1)Cl)F 1P01UO2U [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.225 OC(=O)C(c1cccc(c1)Cl)N 1P003597 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.225 OC(=O)C(c1cccc(c1)Cl)N 1P009DWM [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.225 OC(=O)C(c1cccc(c1)Cl)O 1P001TTU [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.225 OC(=O)C(c1cccc(c1)F)C 1P00IBYO [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.225 OC(=O)C(c1cccc(c1)F)N 1P0009ZU [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.225 OC(=O)C(c1cccc(c1)F)O 1P00C8J1 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.225 OC(=O)C(c1cccc(c1)I)F 1P0293BD [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.225 OC(=O)C(c1cccc(c1)I)N 1P028TV1 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.225 OC(=O)C(c1cccc(c1)I)O 1P024Y56 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.225 OC(=O)C(c1cccc(c1)N)C 1P01C65S [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.225 OC(=O)C(c1cccc(c1)N)O 1P01A1GT [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.225 OC(=O)C(c1cccc(c1)O)N 1P00BZA4 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.225 OC(=O)C(c1cccc(c1)O)N 1P00J2ZR [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.225 OC(=O)C(c1cccc(c1)O)O 1P003K16 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Br)N 1P01JMVQ [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Br)O 1P028TTB [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.225 OC(=O)[C@@H](c1cccc(c1)C)C 1P00BI8D [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.225 OC(=O)[C@@H](c1cccc(c1)C)N 1P002H2J [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)C 1P01DWG0 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)N 1P00BD95 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)N 1P00CMOE [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)O 1P003CKO [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.225 OC(=O)[C@@H](c1cccc(c1)F)N 1P00BD9B [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.225 OC(=O)[C@@H](c1cccc(c1)O)N 1P00BIAR [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.225 OC(=O)[C@H](c1cccc(c1)Br)O 1P01R02G [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.225 OC(=O)[C@H](c1cccc(c1)C)C 1P00EKI5 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.225 OC(=O)[C@H](c1cccc(c1)C)N 1P00954Q [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)C 1P01DZBP [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)N 1P000JES [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)O 1P00I6KT [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.225 OC(=O)[C@H](c1cccc(c1)F)N 1P00359A [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.225 OC(=O)[C@H](c1cccc(c1)O)N 1P005W9S [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.253 CC(=O)C(c1ccccc1)(C)C 1P0056UC [0,2,0,0,0,0|1,0,0]=3 3663 B12R1.253 CC(=O)C(c1ccccc1)(F)F 1P00CFP5 [0,2,0,0,0,0|1,0,0]=3 3664 B12R1.253 CC(=O)C(c1ccccc1)(N)C 1P028J81 [0,2,0,0,0,0|1,0,0]=3 3665 B12R1.253 ClC(=O)C(c1ccccc1)(C)C 1P01A966 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.253 ClC(=O)C(c1ccccc1)(F)F 1P01C3NS [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.253 NC(=O)C(c1ccccc1)(C)C 1P005CUN [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.253 NC(=O)C(c1ccccc1)(F)F 1P007AJ3 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A0G7 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A8W6 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.253 OC(=O)C(c1ccccc1)(C)C 1P003I2S [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.253 OC(=O)C(c1ccccc1)(Cl)F 1P01BE6D [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.253 OC(=O)C(c1ccccc1)(F)C 1P0284YH [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.253 OC(=O)C(c1ccccc1)(F)F 1P00I7LP [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.253 OC(=O)C(c1ccccc1)(N)C 1P00ICQ5 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.253 OC(=O)C(c1ccccc1)(O)C 1P003F8P [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00BLP9 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00I5JO [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P00HTKU [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P01C1M0 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.478 C=CC(c1ccccc1)C(=O)O 1P01AGCA [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.478 CCC(c1ccccc1)C(=O)Cl 1P003IC1 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.478 CCC(c1ccccc1)C(=O)N 1P0037CE [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.478 CCC(c1ccccc1)C(=O)O 1P003IBY [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.478 CCN(c1ccccc1)C(=O)C 1P00DC3M [0,2,0,0,0,0|1,0,0]=3 3686 B12R1.478 CCN(c1ccccc1)C(=O)Cl 1P00CUKT [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O 1P003CXQ [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.478 CC[C@H](c1ccccc1)C(=O)O 1P003CJN [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.478 CNC(c1ccccc1)C(=O)O 1P002W4Z [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.478 CNC(c1ccccc1)C(=O)O 1P005WE4 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P002S6K [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P0251NM [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.478 CN[C@H](c1ccccc1)C(=O)O 1P00325K [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.478 COC(c1ccccc1)C(=O)C 1P008OMN [0,2,0,0,0,0|1,0,0]=3 3695 B12R1.478 COC(c1ccccc1)C(=O)O 1P001ARG [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.478 COC(c1ccccc1)C(=O)O 1P00ICHO [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.478 COC(c1ccccc1)C(=O)[O-] 1P00ENH0 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O 1P003CYC [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.478 CO[C@H](c1ccccc1)C(=O)O 1P003CJZ [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.478 CSC(c1ccccc1)C(=O)O 1P01AKM2 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.478 ClC=C(c1ccccc1)C(=O)N 1P01C1X5 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.478 N#CC(c1ccccc1)C(=O)N 1P005PSU [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.478 N#CC(c1ccccc1)C(=O)O 1P001COC [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.478 N#CC(c1ccccn1)C(=O)C 1P00EM1C [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.478 N#CC(c1cccnc1)C(=O)C 1P01BUCY [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.478 N#CC(c1ccncc1)C(=O)C 1P01DZ3H [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.478 NCC(c1ccccc1)C(=O)O 1P00D8WB [0,2,0,0,0,0|2,0,0]=4 3708 B12R1.478 NCC(c1ccccc1)C(=O)O 1P01BGCY [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.478 NC[C@@H](c1ccccc1)C(=O)O 1P018QKP [0,2,0,0,0,0|2,0,0]=4 3710 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P001AZ3 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P0092K6 [0,2,0,0,0,0|2,0,0]=4 3712 B12R1.478 O=C=C(c1ccccc1)C(=O)Cl 1P00ANII [0,2,0,0,0,0|2,0,0]=4 3713 B12R1.478 OCC(c1ccccc1)C(=O)N 1P00EM6X [0,2,0,0,0,0|2,0,0]=4 3714 B12R1.478 OC[C@@H](c1ccccc1)C(=O)O 1P00B6AQ [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.478 OC[C@H](c1ccccc1)C(=O)O 1P00B5QX [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.478 ON=C(c1ccccc1)C(=O)C 1P01B7DU [0,2,0,0,0,0|1,0,0]=3 3717 B12R1.564 CN(S(=O)(=O)C)c1ccccc1 1P01BHER [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.564 NC(P(=O)(C)C)c1ccccc1 1P028YV2 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.564 N[C@@H](P(=O)(C)C)c1ccccc1 1P027ZN3 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.564 N[C@H](P(=O)(C)C)c1ccccc1 1P028L23 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.32 BrCCC(=O)Nc1ccccc1 1P00GNN1 [0,2,0,0,0,0|1,0,0]=3 3722 B12R1.32 CC#CC(=O)Nc1ccccc1 1P0281RW [0,2,0,0,0,0|1,0,0]=3 3723 B12R1.32 CC#CC(=O)Nc1ccccn1 1P028451 [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.32 CC#CC(=O)Nc1ccncc1 1P02864I [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [0,2,0,0,0,0|1,0,1]=4 3726 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [0,2,0,0,0,0|1,0,0]=3 3727 B12R1.32 CCNC(=O)Nc1ccccc1 1P00E9ZR [0,2,0,0,0,0|1,0,0]=3 3728 B12R1.32 CCNC(=O)Oc1ccccc1 1P0021MK [0,2,0,0,0,0|0,0,0]=2 3729 B12R1.32 CCOC(=O)C[n+]1ccccc1 1P007CSA [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [0,2,0,0,0,0|1,0,0]=3 3731 B12R1.32 CCOC(=O)Cc1ccccn1 1P0035BC [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.32 CCOC(=O)Cc1cccnc1 1P00BY7B [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.32 CCOC(=O)Cc1ccncc1 1P003QSB [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.32 CCOC(=O)N=c1cc[nH]cc1 1P00DJ1M [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.32 CCOC(=O)Nc1ccccc1 1P0003XB [0,2,0,0,0,0|1,0,0]=3 3736 B12R1.32 CCOC(=O)Nc1ccccn1 1P00DKBX [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.32 CCOC(=O)Nc1cccnc1 1P019MHU [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.32 CNCC(=Cc1ccccc1)C 1P01BE9U [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.32 CNCC(=O)Nc1ccccc1 1P00EJFP [0,2,0,0,0,0|1,0,0]=3 3740 B12R1.32 CNCC(=O)Nc1ccncc1 1P0284QL [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [0,2,0,0,0,0|1,0,0]=3 3742 B12R1.32 COCC(=O)Nc1ccccc1 1P028IUS [0,2,0,0,0,0|1,0,0]=3 3743 B12R1.32 COCC(=O)Oc1ccccc1 1P001YI1 [0,2,0,0,0,0|0,0,0]=2 3744 B12R1.32 C\C=C\C(=O)Nc1ccccc1 1P00255Y [0,2,0,0,0,0|1,0,0]=3 3745 B12R1.32 ClCCC(=O)Nc1ccccc1 1P00C08U [0,2,0,0,0,0|1,0,0]=3 3746 B12R1.32 ClCCC(=O)Nc1ccccn1 1P00HS9V [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.32 ClCCC(=O)Nc1cccnc1 1P00J3ZB [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.32 ClCCC(=O)Oc1ccccc1 1P002OZQ [0,2,0,0,0,0|0,0,0]=2 3749 B12R1.32 N#CCC(=O)Cc1ccccc1 1P002G4U [0,2,0,0,0,0|1,0,0]=3 3750 B12R1.32 N#CCC(=O)Nc1ccccc1 1P00EA3X [0,2,0,0,0,0|1,0,0]=3 3751 B12R1.32 N#CCC(=O)Nc1ccccn1 1P006MTS [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.32 N#CCC(=O)Nc1cccnc1 1P00IT0H [0,2,0,0,0,0|2,0,0]=4 3753 B12R1.32 N#CCC(=O)Nc1ccncc1 1P01A414 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.32 NCCC(=O)Nc1ccccc1 1P000G66 [0,2,0,0,0,0|1,0,0]=3 3755 B12R1.32 NCCC(=O)Nc1ccccc1 1P00EENY [0,2,0,0,0,0|1,0,0]=3 3756 B12R1.32 NCCC(=O)Nc1ccccn1 1P019NLT [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.32 NCCC(=O)Nc1cccnc1 1P0179RU [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.32 NCCC(=O)Nc1ccncc1 1P01A91X [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.32 NCCC(=O)Nc1ccncc1 1P01A92R [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.32 NOCC(=O)Nc1ccccc1 1P027UQZ [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.32 O=C=NC(=O)Cc1ccccc1 1P01HOZN [0,2,0,0,0,0|1,0,1]=4 3763 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [0,2,0,0,0,0|1,0,0]=3 3764 B12R1.32 ON=CC(=O)Nc1ccccc1 1P0025FA [0,2,0,0,0,0|1,0,1]=4 3765 B12R1.50 BrCC(=O)Nc1cccc(c1)C 1P00DAC0 [0,2,0,0,0,0|1,0,0]=3 3766 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1P01AK1D [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1P00J89L [0,2,0,0,0,0|1,0,1]=4 3768 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1P00FHSS [0,2,0,0,0,0|1,0,1]=4 3769 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1P00DLN4 [0,2,0,0,0,0|1,0,1]=4 3770 B12R1.50 C=CC(=O)Nc1cccc(c1)N 1P001TGR [0,2,0,0,0,0|1,0,1]=4 3771 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1P009CL3 [0,2,0,0,0,0|1,0,1]=4 3772 B12R1.50 CCC(=O)Cc1cccc(c1)C 1P01JMHJ [0,2,0,0,0,0|1,0,0]=3 3773 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1P01DUPB [0,2,0,0,0,0|1,0,0]=3 3774 B12R1.50 CCC(=O)Cc1cccc(c1)F 1P01EX3C [0,2,0,0,0,0|1,0,0]=3 3775 B12R1.50 CCC(=O)Nc1cc(Br)ccn1 1P019F8N [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.50 CCC(=O)Nc1cccc(c1)N 1P002M8X [0,2,0,0,0,0|1,0,0]=3 3777 B12R1.50 CCC(=O)Nc1cccc(c1)O 1P0071D4 [0,2,0,0,0,0|1,0,0]=3 3778 B12R1.50 CCC(Oc1cccc(c1)N)C 1P00FA91 [0,2,0,0,0,0|1,0,1]=4 3779 B12R1.50 CCC(Oc1cccc(c1)N)C 1P01AMF2 [0,2,0,0,0,0|1,0,1]=4 3780 B12R1.50 CNC(=O)Cc1cccc(c1)N 1P00EEFC [0,2,0,0,0,0|1,0,0]=3 3781 B12R1.50 CNC(=O)Cc1cccc(c1)O 1P01AD44 [0,2,0,0,0,0|1,0,0]=3 3782 B12R1.50 CNC(=O)Nc1cccc(c1)N 1P019L96 [0,2,0,0,0,0|1,0,0]=3 3783 B12R1.50 CNC(=O)Oc1cccc(c1)N 1P01AM02 [0,2,0,0,0,0|0,0,0]=2 3784 B12R1.50 CNC(=O)Oc1cccc(c1)O 1P002FZI [0,2,0,0,0,0|0,0,0]=2 3785 B12R1.50 COC(=O)Cc1cc(Br)ccn1 1P009Z8E [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.50 COC(=O)Cc1cc(Cl)ccn1 1P0092R4 [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.50 COC(=O)Cc1cccc(c1)Br 1P001N5E [0,2,0,0,0,0|1,0,0]=3 3788 B12R1.50 COC(=O)Cc1cccc(c1)C 1P00DDQC [0,2,0,0,0,0|1,0,0]=3 3789 B12R1.50 COC(=O)Cc1cccc(c1)Cl 1P003S8I [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.50 COC(=O)Cc1cccc(c1)F 1P003BEE [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.50 COC(=O)Cc1cccc(c1)I 1P00I9GC [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.50 COC(=O)Cc1cccc(c1)N 1P001MZJ [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.50 COC(=O)Cc1cccc(c1)N 1P00394T [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.50 COC(=O)Cc1cccc(c1)O 1P003S1J [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.50 COC(=O)Cc1cccc(n1)Br 1P00IGQI [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.50 COC(=O)Cc1cccc(n1)C 1P00ELCK [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.50 COC(=O)Cc1cccc(n1)Cl 1P001WDA [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.50 COC(=O)Cc1cccc(n1)F 1P01DF8U [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.50 COC(=O)Cc1cccc(n1)N 1P01BDMZ [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.50 COC(=O)Cc1ccnc(c1)Br 1P000L06 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.50 COC(=O)Cc1ccnc(c1)Cl 1P00H0I7 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.50 COC(=O)Cc1cncc(c1)Br 1P007QHK [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.50 COC(=O)Cc1cncc(c1)C 1P000OUP [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.50 COC(=O)Cc1cncc(c1)Cl 1P00O0RH [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.50 COC(=O)Cc1cncc(c1)O 1P027Z83 [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.50 COC(=O)Cc1nccc(c1)C 1P00IB07 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.50 COC(=O)Nc1cccc(c1)Br 1P00BJ6Q [0,2,0,0,0,0|1,0,0]=3 3808 B12R1.50 COC(=O)Nc1cccc(c1)Cl 1P0249DA [0,2,0,0,0,0|1,0,0]=3 3809 B12R1.50 COC(=O)Nc1cccc(c1)N 1P00F4FU [0,2,0,0,0,0|1,0,0]=3 3810 B12R1.50 COC(=O)Nc1cccc(c1)O 1P0012WG [0,2,0,0,0,0|1,0,0]=3 3811 B12R1.50 Cc1cccc(n1)NC(=O)CCl 1P0282B5 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.50 ClCC(=O)Cc1cccc(c1)C 1P00JTRZ [0,2,0,0,0,0|1,0,0]=3 3813 B12R1.50 ClCC(=O)Cc1cccc(c1)Cl 1P00JTRW [0,2,0,0,0,0|1,0,0]=3 3814 B12R1.50 ClCC(=O)Cc1cccc(c1)F 1P00JTSE [0,2,0,0,0,0|1,0,0]=3 3815 B12R1.50 ClCC(=O)Nc1cccc(c1)Br 1P00BDN5 [0,2,0,0,0,0|1,0,0]=3 3816 B12R1.50 ClCC(=O)Nc1cccc(c1)C 1P00BZOW [0,2,0,0,0,0|1,0,0]=3 3817 B12R1.50 ClCC(=O)Nc1cccc(c1)Cl 1P00BDHT [0,2,0,0,0,0|1,0,0]=3 3818 B12R1.50 ClCC(=O)Nc1cccc(c1)F 1P00C0YW [0,2,0,0,0,0|1,0,0]=3 3819 B12R1.50 ClCC(=O)Nc1cccc(c1)I 1P00BO66 [0,2,0,0,0,0|1,0,0]=3 3820 B12R1.50 NCC(=O)Cc1cccc(c1)Br 1P01B8AI [0,2,0,0,0,0|1,0,0]=3 3821 B12R1.50 NCC(=O)Nc1cccc(c1)Br 1P01A5IJ [0,2,0,0,0,0|1,0,0]=3 3822 B12R1.50 NCC(=O)Nc1cccc(c1)Cl 1P018Z4J [0,2,0,0,0,0|1,0,0]=3 3823 B12R1.50 NCC(=O)Nc1cccc(c1)F 1P01A8MK [0,2,0,0,0,0|1,0,0]=3 3824 B12R1.50 NCC(Oc1cccc(c1)Br)C 1P019SWM [0,2,0,0,0,0|1,0,1]=4 3825 B12R1.50 NCC(Oc1cccc(c1)C)C 1P019SIE [0,2,0,0,0,0|1,0,1]=4 3826 B12R1.50 NCC(Oc1cccc(c1)Cl)C 1P019SLO [0,2,0,0,0,0|1,0,1]=4 3827 B12R1.50 NCC(Oc1cccc(c1)F)C 1P019SMA [0,2,0,0,0,0|1,0,1]=4 3828 B12R1.50 NNC(=O)Cc1cccc(c1)Cl 1P00FAOR [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.50 NNC(=O)Cc1cccc(c1)F 1P00IVB3 [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.50 NNC(=O)Cc1cccc(c1)O 1P01JTZ0 [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.50 NNC(=O)Nc1cccc(c1)Cl 1P01ABM8 [0,2,0,0,0,0|2,0,0]=4 3832 B12R1.50 NNC(=O)Nc1cccc(c1)F 1P000FGY [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.50 OCC(=O)Nc1cccc(c1)C 1P00VSOV [0,2,0,0,0,0|1,0,0]=3 3834 B12R1.50 OCC(=O)Nc1cccc(c1)N 1P01AAQX [0,2,0,0,0,0|1,0,0]=3 3835 B12R1.50 ONC(=O)Cc1cccc(c1)F 1P019XAV [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.118 CCC(=Cc1ccccc1)CC 1P01AUY6 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.118 CCC(=Cc1cccnc1)C=O 1P01C0XK [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.118 CCC(Oc1ccccc1)C#N 1P02877L [0,2,0,0,0,0|1,0,1]=4 3839 B12R1.118 CCC(Oc1ccccc1)CN 1P01AI3J [0,2,0,0,0,0|1,0,1]=4 3840 B12R1.118 CCC(Oc1ccccc1)CN 1P028YBU [0,2,0,0,0,0|1,0,1]=4 3841 B12R1.118 COC(Cc1ccccc1)C=O 1P01AV5H [0,2,0,0,0,0|1,0,1]=4 3842 B12R1.118 NNC(=NC)Nc1ccccc1 1P01A50F [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.194 C=CS(=O)(=O)Oc1ccccc1 1P001P25 [0,2,0,0,0,0|1,0,1]=4 3844 B12R1.194 CNS(=O)(=O)Cc1ccccc1 1P019W0S [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.194 NCC(Oc1ccccc1)(C)C 1P00CHMB [0,2,0,0,0,0|1,0,1]=4 3846 B12R1.194 NCC(Oc1ccccc1)(C)C 1P01AI80 [0,2,0,0,0,0|1,0,1]=4 3847 B12R1.194 NCC(Oc1ccccc1)(F)F 1P028SC5 [0,2,0,0,0,0|1,0,1]=4 3848 B12R1.194 O=CC(Cc1ccccc1)(C)C 1P0003L9 [0,2,0,0,0,0|1,0,1]=4 3849 B12R1.194 O=CC(Oc1ccccc1)(C)C 1P01AV4D [0,2,0,0,0,0|0,0,1]=3 3850 B12R1.194 OCC(Oc1ccccc1)(C)C 1P01IG92 [0,2,0,0,0,0|0,0,2]=4 3851 B12R1.371 BrCC(=O)Nc1ccccc1F 1P005EZT [0,2,0,0,0,0|1,0,0]=3 3852 B12R1.371 C=CC(=O)Cc1ccccc1F 1P01A48W [0,2,0,0,0,0|1,0,1]=4 3853 B12R1.371 C=CC(=O)Nc1ccccc1C 1P019SOX [0,2,0,0,0,0|1,0,1]=4 3854 B12R1.371 C=CC(=O)Nc1ccccc1F 1P00E8FK [0,2,0,0,0,0|1,0,1]=4 3855 B12R1.371 CCC(=O)Cc1ccccc1Br 1P019RG4 [0,2,0,0,0,0|1,0,0]=3 3856 B12R1.371 CCC(=O)Cc1ccccc1C 1P01HPJJ [0,2,0,0,0,0|1,0,0]=3 3857 B12R1.371 CCC(=O)Cc1ccccc1F 1P01EUOT [0,2,0,0,0,0|1,0,0]=3 3858 B12R1.371 CCC(=O)Nc1ccccc1Br 1P00EEMQ [0,2,0,0,0,0|1,0,0]=3 3859 B12R1.371 CCC(=O)Nc1ccccc1N 1P009RRN [0,2,0,0,0,0|1,0,0]=3 3860 B12R1.371 CCC(=O)Nc1ccccc1O 1P006A0L [0,2,0,0,0,0|1,0,0]=3 3861 B12R1.371 CCC(=O)Oc1ccccc1O 1P02924J [0,2,0,0,0,0|0,0,0]=2 3862 B12R1.371 CCC(Oc1ccccc1N)C 1P00DDQ2 [0,2,0,0,0,0|1,0,1]=4 3863 B12R1.371 CNC(=O)Cc1ccccc1Cl 1P00IKSY [0,2,0,0,0,0|1,0,0]=3 3864 B12R1.371 CNC(=O)Cc1ccccc1N 1P00C8RJ [0,2,0,0,0,0|1,0,0]=3 3865 B12R1.371 CNC(=O)Nc1ncccc1C 1P01DWY6 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.371 COC(=O)Cc1ccccc1Br 1P00EBRK [0,2,0,0,0,0|1,0,0]=3 3867 B12R1.371 COC(=O)Cc1ccccc1C 1P003SIA [0,2,0,0,0,0|1,0,0]=3 3868 B12R1.371 COC(=O)Cc1ccccc1Cl 1P003S4A [0,2,0,0,0,0|1,0,0]=3 3869 B12R1.371 COC(=O)Cc1ccccc1F 1P00393Q [0,2,0,0,0,0|1,0,0]=3 3870 B12R1.371 COC(=O)Cc1ccccc1I 1P00IC25 [0,2,0,0,0,0|1,0,0]=3 3871 B12R1.371 COC(=O)Cc1ccccc1N 1P00C63Y [0,2,0,0,0,0|1,0,0]=3 3872 B12R1.371 COC(=O)Cc1ccccc1N 1P00DG0W [0,2,0,0,0,0|1,0,0]=3 3873 B12R1.371 COC(=O)Cc1ccccc1O 1P0037ZQ [0,2,0,0,0,0|1,0,0]=3 3874 B12R1.371 COC(=O)Cc1cccnc1Cl 1P01XGGS [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.371 COC(=O)Cc1ccncc1Br 1P00AKXN [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.371 COC(=O)Cc1ncccc1Br 1P002GMY [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.371 COC(=O)Cc1ncccc1C 1P00HBUV [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.371 COC(=O)Nc1ccccc1Br 1P00N987 [0,2,0,0,0,0|1,0,0]=3 3879 B12R1.371 COC(=O)Nc1ccccc1O 1P019V5N [0,2,0,0,0,0|1,0,0]=3 3880 B12R1.371 Cc1ccncc1NC(=O)OC 1P005ZM5 [0,2,0,0,0,0|2,0,0]=4 3881 B12R1.371 Cc1ccncc1NC(=O)OC 1P01BGQ9 [0,2,0,0,0,0|2,0,0]=4 3882 B12R1.371 ClCC(=O)Cc1ccccc1Br 1P00JTSB [0,2,0,0,0,0|1,0,0]=3 3883 B12R1.371 ClCC(=O)Cc1ccccc1C 1P00JTS6 [0,2,0,0,0,0|1,0,0]=3 3884 B12R1.371 ClCC(=O)Cc1ccccc1Cl 1P000YKD [0,2,0,0,0,0|1,0,0]=3 3885 B12R1.371 ClCC(=O)Cc1ccccc1F 1P00JTRX [0,2,0,0,0,0|1,0,0]=3 3886 B12R1.371 ClCC(=O)Nc1ccccc1Br 1P00EJAI [0,2,0,0,0,0|1,0,0]=3 3887 B12R1.371 ClCC(=O)Nc1ccccc1C 1P00BZLF [0,2,0,0,0,0|1,0,0]=3 3888 B12R1.371 ClCC(=O)Nc1ccccc1Cl 1P007J23 [0,2,0,0,0,0|1,0,0]=3 3889 B12R1.371 ClCC(=O)Nc1ccccc1F 1P007CAO [0,2,0,0,0,0|1,0,0]=3 3890 B12R1.371 ClCC(=O)Nc1ccccc1I 1P00FM48 [0,2,0,0,0,0|1,0,0]=3 3891 B12R1.371 ClCC(=O)Nc1ccccc1O 1P00050Z [0,2,0,0,0,0|1,0,0]=3 3892 B12R1.371 Clc1ncccc1NC(=O)CCl 1P00CRPK [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.371 N#CC(Oc1ccccc1N)C 1P01A2IO [0,2,0,0,0,0|1,0,1]=4 3894 B12R1.371 NCC(=O)Nc1ccccc1Br 1P00HAUJ [0,2,0,0,0,0|1,0,0]=3 3895 B12R1.371 NCC(=O)Nc1ccccc1C 1P00J46J [0,2,0,0,0,0|1,0,0]=3 3896 B12R1.371 NCC(=O)Nc1ccccc1F 1P0289BO [0,2,0,0,0,0|1,0,0]=3 3897 B12R1.371 NCC(Oc1ccccc1Br)C 1P019UHV [0,2,0,0,0,0|1,0,1]=4 3898 B12R1.371 NCC(Oc1ccccc1C)C 1P019SMY [0,2,0,0,0,0|1,0,1]=4 3899 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00GSHM [0,2,0,0,0,0|1,0,1]=4 3900 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00HA82 [0,2,0,0,0,0|1,0,1]=4 3901 B12R1.371 NCC(Oc1ccccc1F)C 1P019SP8 [0,2,0,0,0,0|1,0,1]=4 3902 B12R1.371 NNC(=O)Cc1ccccc1C 1P00JDOV [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.371 NNC(=O)Cc1ccccc1Cl 1P00BCNA [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.371 NNC(=O)Cc1ccccc1F 1P0097A6 [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.371 NNC(=O)Cc1ccccc1O 1P01B60T [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.371 NNC(=O)Nc1ccccc1C 1P019NCX [0,2,0,0,0,0|2,0,0]=4 3907 B12R1.371 NNC(=O)Nc1ccccc1Cl 1P00C9G6 [0,2,0,0,0,0|2,0,0]=4 3908 B12R1.371 O=C\C(=C\c1ccccc1F)\C 1P00141I [0,2,0,0,0,0|1,0,0]=3 3909 B12R1.371 O=NN(Cc1ccccc1C)C 1P00F62Y [0,2,0,0,0,0|2,0,0]=4 3910 B12R1.371 ONC(=O)Cc1ccccc1C 1P019XJJ [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.371 ONC(=O)Cc1ccccc1Cl 1P019XEQ [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.371 Oc1ncccc1NC(=O)CCl 1P00940U [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.371 SCC(=O)Nc1ccccc1F 1P00I4OM [0,2,0,0,0,0|1,0,0]=3 3914 B12R1.75 BrCc1ccccc1CC(=O)C 1P01C8VJ [0,2,0,0,0,0|1,0,0]=3 3915 B12R1.75 BrCc1ccccc1CC(=O)O 1P0013NJ [0,2,0,0,0,0|2,0,0]=4 3916 B12R1.75 BrCc1ccccc1OC(=O)C 1P00FD02 [0,2,0,0,0,0|0,0,0]=2 3917 B12R1.75 C#Cc1ccccc1CC(=O)N 1P01EN8O [0,2,0,0,0,0|2,0,0]=4 3918 B12R1.75 C#Cc1ccccc1NC(=O)C 1P01CAC7 [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.75 C=Cc1ccccc1OC(=O)C 1P003O3B [0,2,0,0,0,0|0,0,0]=2 3920 B12R1.75 C=Cc1ccccc1OC(C)C 1P005QXO [0,2,0,0,0,0|1,0,1]=4 3921 B12R1.75 CCc1ccccc1CC(=O)O 1P01B1QZ [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.75 CCc1ccccc1OC(=O)C 1P00310J [0,2,0,0,0,0|0,0,0]=2 3923 B12R1.75 COc1ccccc1CC(=O)Cl 1P00BDPD [0,2,0,0,0,0|2,0,0]=4 3924 B12R1.75 COc1ccccc1CC(=O)N 1P00C6TR [0,2,0,0,0,0|2,0,0]=4 3925 B12R1.75 COc1ccccc1CC(=O)O 1P003I14 [0,2,0,0,0,0|2,0,0]=4 3926 B12R1.75 COc1ccccc1NC(=O)C 1P003TW2 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.75 COc1ccccc1OC(=O)C 1P007K8N [0,2,0,0,0,0|0,0,0]=2 3928 B12R1.75 COc1ccccc1OC(=O)Cl 1P002M07 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.75 CSc1ccccc1CC(=O)C 1P01A6PH [0,2,0,0,0,0|1,0,0]=3 3930 B12R1.75 CSc1ccccc1CC(=O)O 1P007YVE [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.75 CSc1ccccc1NC(=O)C 1P00ECV1 [0,2,0,0,0,0|1,0,0]=3 3932 B12R1.75 CSc1ccccc1OC(=O)C 1P028MS5 [0,2,0,0,0,0|0,0,0]=2 3933 B12R1.75 ClCc1ccccc1CC(=O)O 1P003AF9 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.75 ClCc1ccccc1NC(=O)C 1P01EMA2 [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.75 N#Cc1ccccc1CC(=O)O 1P0039DC [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.75 N#Cc1ccccc1NC(=O)C 1P00C522 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.75 N#Cc1ccccc1NC(=O)N 1P00E5Y5 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.75 N#Cc1ccccc1OC(=O)C 1P003GRC [0,2,0,0,0,0|0,0,0]=2 3939 B12R1.75 N#Cc1ccccc1OC(C)C 1P00H56E [0,2,0,0,0,0|1,0,1]=4 3940 B12R1.75 N#Cc1cccnc1NC(=O)C 1P01BU4I [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.75 NCc1ccccc1CC(=O)O 1P0033KY [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.75 NCc1ccccc1NC(=O)C 1P019Q8P [0,2,0,0,0,0|1,0,0]=3 3943 B12R1.75 NCc1ccccc1OC(C)C 1P003C4A [0,2,0,0,0,0|1,0,1]=4 3944 B12R1.75 O=Cc1ccccc1CC(=O)O 1P00ABZG [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.75 O=Cc1ccccc1NC(=O)C 1P0070B5 [0,2,0,0,0,0|1,0,0]=3 3946 B12R1.75 O=Cc1ccccc1OC(=O)C 1P00ELLC [0,2,0,0,0,0|0,0,0]=2 3947 B12R1.75 O=Cc1ccccc1OC(C)C 1P002LZ7 [0,2,0,0,0,0|1,0,1]=4 3948 B12R1.75 OCc1ccccc1CC(=O)[O-] 1P01AGG9 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.75 OCc1ccccc1NC(=O)C 1P002KO2 [0,2,0,0,0,0|1,0,0]=3 3950 B12R1.75 OCc1ccccc1OC(C)C 1P008KF3 [0,2,0,0,0,0|1,0,1]=4 3951 B12R1.75 SCc1ccccc1CC(=O)O 1P01BBX3 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.127 CC(=O)Cc1cc(F)ccc1Br 1P01AIMK [0,2,0,0,0,0|1,0,0]=3 3953 B12R1.127 CC(=O)Cc1cc(F)ccc1F 1P01EROX [0,2,0,0,0,0|1,0,0]=3 3954 B12R1.127 CC(=O)Cn1cc(Br)ccc1=O 1P01BEMQ [0,2,0,0,0,0|2,0,0]=4 3955 B12R1.127 CC(=O)Nc1cc(Br)ccc1Br 1P00BJ57 [0,2,0,0,0,0|1,0,0]=3 3956 B12R1.127 CC(=O)Nc1cc(C)ccc1Br 1P000TNP [0,2,0,0,0,0|1,0,0]=3 3957 B12R1.127 CC(=O)Nc1cc(C)ccc1C 1P002A9U [0,2,0,0,0,0|1,0,0]=3 3958 B12R1.127 CC(=O)Nc1cc(C)ccc1Cl 1P01BBLF [0,2,0,0,0,0|1,0,0]=3 3959 B12R1.127 CC(=O)Nc1cc(C)ccc1O 1P00IBQ9 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.127 CC(=O)Nc1cc(Cl)ccc1Cl 1P002SQY [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.127 CC(=O)Nc1cc(Cl)ccc1N 1P01A9IB [0,2,0,0,0,0|1,0,0]=3 3962 B12R1.127 CC(=O)Nc1cc(Cl)ccc1O 1P002TVM [0,2,0,0,0,0|1,0,0]=3 3963 B12R1.127 CC(=O)Nc1cc(F)ccc1Br 1P024HZ8 [0,2,0,0,0,0|1,0,0]=3 3964 B12R1.127 CC(=O)Nc1cc(F)ccc1F 1P00CBBL [0,2,0,0,0,0|1,0,0]=3 3965 B12R1.127 CC(=O)Nc1cc(F)ccc1I 1P000EMP [0,2,0,0,0,0|1,0,0]=3 3966 B12R1.127 CC(=O)Nc1cc(N)ccc1Cl 1P00EETD [0,2,0,0,0,0|1,0,0]=3 3967 B12R1.127 CC(=O)Nc1cc(N)ccc1F 1P00G53P [0,2,0,0,0,0|1,0,0]=3 3968 B12R1.127 CC(=O)Nc1cc(N)ccc1O 1P002MXE [0,2,0,0,0,0|1,0,0]=3 3969 B12R1.127 CC(=O)Nc1cc(O)ccc1Cl 1P00A23V [0,2,0,0,0,0|1,0,0]=3 3970 B12R1.127 CC(=O)Nc1cc(O)ccc1O 1P01XDDE [0,2,0,0,0,0|1,0,0]=3 3971 B12R1.127 CC(=O)Nc1nc(C)ccc1Br 1P01DUAE [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.127 CC(=O)Oc1cc(Br)cnc1I 1P008STQ [0,2,0,0,0,0|1,0,0]=3 3973 B12R1.127 CC(Oc1cc(Br)ccc1Cl)C 1P00ELP5 [0,2,0,0,0,0|1,0,1]=4 3974 B12R1.127 CC(Oc1cc(Cl)ccc1N)C 1P00IKOX [0,2,0,0,0,0|1,0,1]=4 3975 B12R1.127 CC(Oc1cc(F)ccc1Br)C 1P00EJOP [0,2,0,0,0,0|1,0,1]=4 3976 B12R1.127 CC(Oc1cc(F)ccc1N)C 1P001LIK [0,2,0,0,0,0|1,0,1]=4 3977 B12R1.127 CC(Oc1cc(F)ccc1N)C 1P00C1EL [0,2,0,0,0,0|1,0,1]=4 3978 B12R1.127 CC(Oc1cc(F)ccc1O)C 1P01BDVZ [0,2,0,0,0,0|1,0,1]=4 3979 B12R1.127 CC(Oc1cc(N)ccc1Br)C 1P01C0QD [0,2,0,0,0,0|1,0,1]=4 3980 B12R1.127 CC(Oc1cc(N)ccc1C)C 1P01BEXM [0,2,0,0,0,0|1,0,1]=4 3981 B12R1.127 CC(Oc1cc(N)ccc1F)C 1P01O3Y8 [0,2,0,0,0,0|1,0,1]=4 3982 B12R1.127 CC(Oc1cc(O)ccc1N)C 1P01BEP5 [0,2,0,0,0,0|1,0,1]=4 3983 B12R1.127 CS(=O)Cc1cc(F)ccc1N 1P01AC67 [0,2,0,0,0,0|2,0,0]=4 3984 B12R1.127 CS(=O)Cc1cc(N)ccc1Cl 1P01AJA3 [0,2,0,0,0,0|2,0,0]=4 3985 B12R1.127 Cc1cc(CC(=O)O)c(cc1)Br 1P0029AO [0,2,0,0,0,0|2,0,0]=4 3986 B12R1.127 Cc1cc(CC(=O)O)c(cc1)Cl 1P00IDO0 [0,2,0,0,0,0|2,0,0]=4 3987 B12R1.127 Cc1cc(CC(=O)O)c(cc1)F 1P00299O [0,2,0,0,0,0|2,0,0]=4 3988 B12R1.127 Cc1cc(CC(=O)O)c(cc1)O 1P028MBW [0,2,0,0,0,0|2,0,0]=4 3989 B12R1.127 Cc1ccc(cc1CC(=O)Cl)C 1P00DE01 [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.127 Cc1ccc(cc1CC(=O)O)Br 1P0039XU [0,2,0,0,0,0|2,0,0]=4 3991 B12R1.127 Cc1ccc(cc1CC(=O)O)C 1P003GGS [0,2,0,0,0,0|2,0,0]=4 3992 B12R1.127 Cc1ccc(cc1CC(=O)O)Cl 1P027VT5 [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.127 Cc1ccc(cc1CC(=O)O)F 1P002SNB [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.127 Cc1ccc(cc1CC(=O)O)I 1P028A87 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.127 Cc1ccc(cc1NC(=O)C)Br 1P000CYH [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.127 Cc1ccc(cc1NC(=O)C)F 1P00CLHR [0,2,0,0,0,0|1,0,0]=3 3997 B12R1.127 Cc1ccc(cc1NC(=O)C)N 1P00DCZN [0,2,0,0,0,0|1,0,0]=3 3998 B12R1.127 Cc1ccc(cc1NC(=O)N)C 1P01C7OG [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.127 Cc1ccc(cc1OC(=O)C)Br 1P028OYV [0,2,0,0,0,0|0,0,0]=2 4000 B12R1.127 Cc1ncc(cc1NC(=O)C)Br 1P000UHO [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.127 ClC(=O)Cc1cc(Cl)ccc1Cl 1P0029AM [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.127 Fc1ccc(cc1CC(=O)Cl)F 1P00ABJI [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.127 NC(=O)Nc1cc(Cl)ccc1O 1P00EFZW [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.127 NC(=O)Nc1cc(N)ccc1F 1P01ALSY [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.127 Nc1cc(CC(=O)O)c(cc1)F 1P00DNW2 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.127 Nc1ccc(cc1CC(=O)O)Br 1P00ICWI [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.127 Nc1ccc(cc1CC(=O)O)F 1P01KLLI [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.127 OC(=O)Cc1cc(Br)ccc1Br 1P0029AP [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.127 OC(=O)Cc1cc(Br)ccc1Cl 1P00265R [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.127 OC(=O)Cc1cc(Br)ccc1F 1P003MXR [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.127 OC(=O)Cc1cc(Br)ccc1I 1P00IMH6 [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Br 1P0033M8 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Cl 1P00DFVY [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.127 OC(=O)Cc1cc(Cl)ccc1F 1P002SIJ [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.127 OC(=O)Cc1cc(F)ccc1Br 1P003H6G [0,2,0,0,0,0|2,0,0]=4 4016 B12R1.127 OC(=O)Cc1cc(F)ccc1Cl 1P00265S [0,2,0,0,0,0|2,0,0]=4 4017 B12R1.127 OC(=O)Cc1cc(F)ccc1F 1P0033GZ [0,2,0,0,0,0|2,0,0]=4 4018 B12R1.127 OC(=O)Cc1cc(I)ccc1Br 1P000SEY [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.127 OC(=O)Cc1cc(I)ccc1F 1P027XGD [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.127 OC(=O)Cc1cc(O)ccc1Br 1P0288AC [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.127 OC(=O)Cc1cc(O)ccc1F 1P001LTA [0,2,0,0,0,0|2,0,0]=4 4022 B12R1.127 OC(=O)Cc1cc(O)ccc1O 1P003RER [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.127 Oc1ccc(cc1CC(=O)O)Br 1P00CJAH [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.127 Oc1ccc(cc1CC(=O)O)Cl 1P00BKCM [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.151 Brc1ccccc1CS(=O)(=O)C 1P002RB8 [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.151 Brc1ccccc1N=S(=O)(C)C 1P01BXVF [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.151 Brc1ccccc1NS(=O)(=O)C 1P000D8A [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.151 Brc1ccccc1OC(C)(C)C 1P01FQ05 [0,2,0,0,0,0|1,0,1]=4 4029 B12R1.151 Clc1ccccc1OP(=O)(Cl)Cl 1P001NB8 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.151 Fc1ccccc1CS(=O)(=O)C 1P00BEJD [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.151 Fc1ccccc1NS(=O)(=O)C 1P003SQ4 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.151 Ic1ccccc1NS(=O)(=O)C 1P000D89 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.151 Nc1ccccc1CS(=O)(=O)C 1P00I59T [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.151 Nc1ccccc1N=S(=O)(C)C 1P01AMFE [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.151 Nc1ccccc1NS(=O)(=O)C 1P003FJO [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.151 Nc1ccccc1OC(C)(C)C 1P00HS68 [0,2,0,0,0,0|1,0,1]=4 4037 B12R1.151 Nc1ccccc1OS(=O)(=O)F 1P028SXM [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.151 Oc1ccccc1CS(=O)(=O)C 1P00I9ZX [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.151 Oc1ccccc1N=S(=O)(C)C 1P01BVZ2 [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.151 Oc1ccccc1NS(=O)(=O)C 1P00FBOG [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.151 Oc1ccccc1OC(C)(C)C 1P00BJAX [0,2,0,0,0,0|1,0,1]=4 4042 B12R1.151 Oc1ccccc1OS(=O)(=O)[O-] 1P01X7Z7 [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.224 CC(=N)Nc1cccc(c1Cl)Cl 1P01KYUA [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1P023RXF [0,2,0,0,0,0|1,0,0]=3 4045 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1P0006WM [0,2,0,0,0,0|1,0,0]=3 4046 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1P00EM4Z [0,2,0,0,0,0|1,0,0]=3 4047 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1P00CCKQ [0,2,0,0,0,0|1,0,0]=3 4048 B12R1.224 CC(Oc1cccc(c1F)Cl)C 1P00HV7S [0,2,0,0,0,0|1,0,1]=4 4049 B12R1.224 CC(Oc1cccc(c1N)C)C 1P0288H1 [0,2,0,0,0,0|1,0,1]=4 4050 B12R1.224 Cc1c(CC(=O)O)cccc1Br 1P000SCV [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.224 Cc1c(CC(=O)O)cccc1C 1P0032AZ [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.224 Cc1c(CC(=O)O)cccc1Cl 1P024Y4U [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.224 Cc1c(CC(=O)O)cccc1F 1P006WGP [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.224 Cc1c(CC(=O)O)cccc1I 1P000SAS [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.224 Cc1c(CC(=O)O)cccc1N 1P00BJYE [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.224 Cc1c(CS(=O)C)cccc1N 1P01AJK1 [0,2,0,0,0,0|2,0,0]=4 4057 B12R1.224 Cc1c(NC(=O)C)cccc1N 1P00FCWI [0,2,0,0,0,0|1,0,0]=3 4058 B12R1.224 Cc1c(NC(=O)N)cccc1C 1P00AJIJ [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.224 Cc1cccc(c1Br)CC(=O)N 1P01XCHG [0,2,0,0,0,0|2,0,0]=4 4060 B12R1.224 Cc1cccc(c1Br)CC(=O)O 1P002Q81 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.224 Cc1cccc(c1Cl)CC(=O)O 1P01BE7F [0,2,0,0,0,0|2,0,0]=4 4062 B12R1.224 Cc1cccc(c1F)CC(=O)O 1P01KCN5 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.224 Cc1cccc(c1I)CC(=O)O 1P0292DT [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.224 Cc1cccc(c1N)CC(=O)O 1P00A0IY [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.224 Cc1cccc(c1O)CC(=O)O 1P01OTH1 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.224 Nc1c(CC(=O)O)cccc1Br 1P000SIH [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.224 Nc1c(CC(=O)O)cccc1N 1P01BD73 [0,2,0,0,0,0|2,0,0]=4 4068 B12R1.224 OC(=O)Cc1cccc(c1Br)Cl 1P000SHC [0,2,0,0,0,0|2,0,0]=4 4069 B12R1.224 OC(=O)Cc1cccc(c1Br)F 1P005XGS [0,2,0,0,0,0|2,0,0]=4 4070 B12R1.224 OC(=O)Cc1cccc(c1Cl)Br 1P000S74 [0,2,0,0,0,0|2,0,0]=4 4071 B12R1.224 OC(=O)Cc1cccc(c1Cl)Cl 1P0007PV [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.224 OC(=O)Cc1cccc(c1Cl)F 1P00015H [0,2,0,0,0,0|2,0,0]=4 4073 B12R1.224 OC(=O)Cc1cccc(c1F)Br 1P001428 [0,2,0,0,0,0|2,0,0]=4 4074 B12R1.224 OC(=O)Cc1cccc(c1F)Cl 1P002SIK [0,2,0,0,0,0|2,0,0]=4 4075 B12R1.224 OC(=O)Cc1cccc(c1F)F 1P001DRS [0,2,0,0,0,0|2,0,0]=4 4076 B12R1.224 OC(=O)Cc1cccc(c1F)O 1P01ACQW [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.224 OC(=O)Cc1cccc(c1I)Br 1P028148 [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.224 OC(=O)Cc1cccc(c1O)O 1P00C2W0 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.224 Oc1c(CC(=O)O)cccc1Br 1P024911 [0,2,0,0,0,0|2,0,0]=4 4080 B12R1.224 Oc1c(CC(=O)O)cccc1Cl 1P024UL9 [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.224 Oc1c(CC(=O)O)cccc1F 1P01BIJU [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.1009 CC(=O)Cc1c(Cl)cccc1Cl 1P003GKE [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.1009 CC(=O)Nc1c(C)cccc1C 1P003SP2 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.1009 CC(=O)Nc1c(C)cccc1F 1P021S6H [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.1009 CC(=O)Nc1c(C)cccc1O 1P00588T [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.1009 CC(=O)Nc1c(C)ccnc1Cl 1P00ID5E [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.1009 CC(=O)Nc1c(Cl)cccc1Cl 1P0025IX [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.1009 CC(Oc1c(F)cccc1Cl)C 1P01ETWQ [0,2,0,0,0,0|1,0,1]=4 4089 B12R1.1009 CC(Oc1c(F)cccc1F)C 1P01DO40 [0,2,0,0,0,0|1,0,1]=4 4090 B12R1.1009 CC(Oc1c(N)cccc1Cl)C 1P009EBX [0,2,0,0,0,0|1,0,1]=4 4091 B12R1.1009 ClC(=O)Cc1c(Cl)cccc1Cl 1P00JLHW [0,2,0,0,0,0|2,0,0]=4 4092 B12R1.1009 NC(=O)Cc1c(Cl)cccc1Cl 1P005BKG [0,2,0,0,0,0|2,0,0]=4 4093 B12R1.1009 NC(=O)Cc1c(F)cccc1Cl 1P01AB0B [0,2,0,0,0,0|2,0,0]=4 4094 B12R1.1009 NC(=O)Cc1c(F)cccc1F 1P0091YL [0,2,0,0,0,0|2,0,0]=4 4095 B12R1.1009 NC(=O)Nc1c(Cl)cccc1Cl 1P01B5HD [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.1009 OC(=O)Cc1c(Br)cccc1Br 1P006JKN [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.1009 OC(=O)Cc1c(C)cccc1Br 1P0293R0 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.1009 OC(=O)Cc1c(C)cccc1C 1P00H1GQ [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.1009 OC(=O)Cc1c(C)cccc1Cl 1P01BDLE [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.1009 OC(=O)Cc1c(Cl)cccc1Br 1P01AVGQ [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.1009 OC(=O)Cc1c(Cl)cccc1Cl 1P003GJW [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.1009 OC(=O)Cc1c(F)cccc1Br 1P009GXH [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.1009 OC(=O)Cc1c(F)cccc1Cl 1P003HH6 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.1009 OC(=O)Cc1c(F)cccc1F 1P0033IB [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.101 CC(=O)Cc1cc(F)cc(c1)F 1P01JTCQ [0,2,0,0,0,0|1,0,0]=3 4106 B12R1.101 CC(=O)Nc1cc(F)cc(c1)F 1P00C1GB [0,2,0,0,0,0|1,0,0]=3 4107 B12R1.101 CC(=O)OC1=CC(=O)OC(=O)C1 1P001S19 [0,2,0,0,0,0|1,0,1]=4 4108 B12R1.101 CC(=O)Oc1cc(Br)cc(c1)Br 1P01EHSU [0,2,0,0,0,0|0,0,0]=2 4109 B12R1.101 CC(Oc1cc(Br)cc(c1)Br)C 1P00953J [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.101 CC(Oc1cc(C)cc(c1)C)C 1P0031I1 [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.101 CC(Oc1cc(F)cc(c1)Br)C 1P00HSRX [0,2,0,0,0,0|1,0,1]=4 4112 B12R1.101 CC(Oc1cc(F)cc(c1)F)C 1P01ETWP [0,2,0,0,0,0|1,0,1]=4 4113 B12R1.101 CC(Oc1cc(N)cc(c1)Br)C 1P019UKG [0,2,0,0,0,0|1,0,1]=4 4114 B12R1.101 CC(Oc1cc(N)cc(c1)Cl)C 1P025GEE [0,2,0,0,0,0|1,0,1]=4 4115 B12R1.101 CC(Oc1cc(N)cc(c1)F)C 1P028LBZ [0,2,0,0,0,0|1,0,1]=4 4116 B12R1.101 CC(Oc1cc(O)cc(c1)Br)C 1P01BECT [0,2,0,0,0,0|1,0,1]=4 4117 B12R1.101 ClC(=O)Cc1cc(F)cc(c1)F 1P001PMR [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.101 ClC(=O)Oc1cc(Cl)cc(c1)Cl 1P01ACSP [0,2,0,0,0,0|1,0,0]=3 4119 B12R1.101 NC(=O)Nc1cc(F)cc(c1)F 1P01DJ27 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.101 OC(=O)Cc1cc(Br)cc(c1)Br 1P002HAX [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.101 OC(=O)Cc1cc(Br)cc(c1)I 1P01C54O [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.101 OC(=O)Cc1cc(C)cc(c1)Br 1P01FHRG [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.101 OC(=O)Cc1cc(C)cc(c1)C 1P003J5S [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.101 OC(=O)Cc1cc(C)cc(c1)Cl 1P027XNR [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.101 OC(=O)Cc1cc(C)cc(c1)F 1P00DG04 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Br 1P024LEE [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Cl 1P003J2O [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.101 OC(=O)Cc1cc(F)cc(c1)Br 1P0028GJ [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.101 OC(=O)Cc1cc(F)cc(c1)Cl 1P0028GI [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.101 OC(=O)Cc1cc(F)cc(c1)F 1P003J3Q [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.101 OC(=O)Cc1cc(N)cc(c1)Br 1P01BS3C [0,2,0,0,0,0|2,0,0]=4 4132 B12R1.101 OC(=O)Cc1cc(O)cc(c1)Br 1P01ELLN [0,2,0,0,0,0|2,0,0]=4 4133 B12R1.101 OC(=O)Cc1cc(O)cc(c1)O 1P00DEB9 [0,2,0,0,0,0|2,0,0]=4 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)N=S(=O)(C)C 1P01C5XU [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.119 Brc1cccc(c1)NS(=O)(=O)C 1P004VNR [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.119 Brc1cccc(c1)OC(C)(C)C 1P006OPD [0,2,0,0,0,0|1,0,1]=4 4139 B12R1.119 Brc1cccc(c1)OS(=O)(=O)F 1P028FBE [0,2,0,0,0,0|2,0,0]=4 4140 B12R1.119 Ic1cccc(c1)NS(=O)(=O)C 1P0022IT [0,2,0,0,0,0|2,0,0]=4 4141 B12R1.119 Nc1cccc(c1)CS(=O)(=O)C 1P00BHUV [0,2,0,0,0,0|2,0,0]=4 4142 B12R1.119 Nc1cccc(c1)N=S(=O)(C)C 1P01AMFD [0,2,0,0,0,0|2,0,0]=4 4143 B12R1.119 Nc1cccc(c1)NS(=O)(=O)C 1P003IPG [0,2,0,0,0,0|2,0,0]=4 4144 B12R1.119 Nc1cccc(c1)OC(C)(C)C 1P0092YE [0,2,0,0,0,0|1,0,1]=4 4145 B12R1.119 Nc1cccc(c1)OS(=O)(=O)F 1P028TZ1 [0,2,0,0,0,0|2,0,0]=4 4146 B12R1.119 Oc1cccc(c1)N=S(=O)(C)C 1P01AMFI [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.119 Oc1cccc(c1)NS(=O)(=O)C 1P00FHPQ [0,2,0,0,0,0|2,0,0]=4 4148 B12R1.119 Oc1cccc(c1)OC(C)(C)C 1P01H8PN [0,2,0,0,0,0|1,0,1]=4 4149 B12R1.438 BrCc1cccc(c1)CC(=O)O 1P008XSM [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.438 BrCc1cccc(c1)OC(=O)C 1P00DMFK [0,2,0,0,0,0|0,0,0]=2 4151 B12R1.438 BrCc1cccc(c1)OC(C)C 1P019VDW [0,2,0,0,0,0|1,0,1]=4 4152 B12R1.438 C#Cc1cccc(c1)CC(=O)O 1P00LGH0 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1P0063BL [0,2,0,0,0,0|1,0,0]=3 4154 B12R1.438 C#Cc1cccc(c1)NC(=O)N 1P019UHM [0,2,0,0,0,0|2,0,0]=4 4155 B12R1.438 C#Cc1cccc(n1)NC(=O)C 1P01JMRG [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.438 CC(=O)Nc1cc(ccn1)C#C 1P01K1H2 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.438 CC(=O)Nc1cc(cnc1)C#N 1P00BJKM [0,2,0,0,0,0|2,0,0]=4 4158 B12R1.438 CCc1cccc(c1)CC(=O)O 1P01A259 [0,2,0,0,0,0|2,0,0]=4 4159 B12R1.438 COc1cccc(c1)CC(=O)C 1P002ZVT [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.438 COc1cccc(c1)CC(=O)Cl 1P003K4I [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.438 COc1cccc(c1)CC(=O)O 1P0027Q3 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.438 COc1cccc(c1)NC(=O)C 1P00E9P4 [0,2,0,0,0,0|1,0,0]=3 4163 B12R1.438 COc1cccc(n1)CC(=O)C 1P01A6SY [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.438 COc1nccc(c1)CC(=O)C 1P01ANP5 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.438 CSc1cccc(c1)CC(=O)O 1P003IQ0 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.438 CSc1cccc(c1)NC(=O)C 1P003SQW [0,2,0,0,0,0|1,0,0]=3 4167 B12R1.438 CSc1cccc(c1)NC(=O)N 1P004XCA [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.438 ClCc1cccc(c1)CC(=O)O 1P005021 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.438 ClCc1cccc(c1)NC(=O)C 1P01A9Q4 [0,2,0,0,0,0|1,0,0]=3 4170 B12R1.438 ClCc1cccc(c1)OC(=O)C 1P00I8YV [0,2,0,0,0,0|0,0,0]=2 4171 B12R1.438 ClCc1cccc(c1)OC(C)C 1P002S0Z [0,2,0,0,0,0|1,0,1]=4 4172 B12R1.438 N#Cc1cccc(c1)CC(=O)C 1P00FCFA [0,2,0,0,0,0|1,0,0]=3 4173 B12R1.438 N#Cc1cccc(c1)CC(=O)O 1P002GYJ [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.438 N#Cc1cccc(c1)NC(=O)C 1P00EBHQ [0,2,0,0,0,0|1,0,0]=3 4175 B12R1.438 N#Cc1cccc(c1)OC(C)C 1P00CLSJ [0,2,0,0,0,0|1,0,1]=4 4176 B12R1.438 NCc1cccc(c1)CC(=O)O 1P0009CB [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.438 NCc1cccc(c1)NC(=O)C 1P003J9B [0,2,0,0,0,0|1,0,0]=3 4178 B12R1.438 NCc1cccc(c1)NC(=O)C 1P00C2B4 [0,2,0,0,0,0|1,0,0]=3 4179 B12R1.438 NCc1cccc(c1)NC(=O)N 1P019V5I [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.438 NNc1cccc(c1)NC(=O)C 1P00DMPF [0,2,0,0,0,0|1,0,0]=3 4181 B12R1.438 NNc1cccc(c1)NC(=O)C 1P028GOX [0,2,0,0,0,0|1,0,0]=3 4182 B12R1.438 NNc1cccc(c1)NC(=O)C 1P028LJ3 [0,2,0,0,0,0|1,0,0]=3 4183 B12R1.438 O=Cc1cccc(c1)CC(=O)O 1P00D2B9 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.438 O=Cc1cccc(c1)NC(=O)C 1P0035R4 [0,2,0,0,0,0|1,0,0]=3 4185 B12R1.438 O=Cc1cccc(c1)OC(=O)C 1P003J9I [0,2,0,0,0,0|0,0,0]=2 4186 B12R1.438 O=Cc1cccc(c1)OC(C)C 1P008PR6 [0,2,0,0,0,0|1,0,1]=4 4187 B12R1.438 O=Cc1ccnc(c1)NC(=O)C 1P01JV6T [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.438 OCc1cccc(c1)NC(=O)C 1P001UU3 [0,2,0,0,0,0|1,0,0]=3 4189 B12R1.438 OCc1cccc(c1)OC(C)C 1P002S10 [0,2,0,0,0,0|1,0,1]=4 4190 B10R1.66 CC(=O)C=Cc1ccco1 1P00CMZ2 [0,0,1,1,0,0|2,0,0]=4 4191 B10R1.66 CC(=O)C=Cc1cccs1 1P003KH7 [0,0,1,1,0,0|2,0,0]=4 4192 B10R1.66 CC(=O)OC=C1C=CC=C1 1P01DQRM [0,0,1,1,0,0|0,0,0]=2 4193 B10R1.66 CC(=O)OCc1ccco1 1P003R5Z [0,0,1,1,0,0|1,0,1]=4 4194 B10R1.66 CC(=O)\C=C\c1ccco1 1P003KGG [0,0,1,1,0,0|2,0,0]=4 4195 B10R1.66 CC(=O)\C=C\c1cccs1 1P007DZY [0,0,1,1,0,0|2,0,0]=4 4196 B10R1.348 OC(=O)C1C=CC=CC=C1 1P01BDNG [0,0,1,1,0,0|2,0,0]=4 4197 B10R2.6 C1CC1c2ccccc2 1P008EMK [1,0,0,1,0,0|1,0,1]=4 4198 B10R2.6 N1CC1c2ccccc2 1P001MKW [1,0,0,1,0,0|2,0,0]=4 4199 B10R2.6 O1CC1c2ccccc2 1P003632 [1,0,0,1,0,0|2,0,0]=4 4200 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [1,0,0,1,0,0|2,0,0]=4 4201 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [1,0,0,1,0,0|2,0,0]=4 4202 B10R2.7 C1Cc2c(C1)cccc2 1P0037N7 [1,0,0,1,0,0|1,0,1]=4 4203 B10R2.7 C1Oc2c(O1)cccc2 1P00I5NN [1,0,0,1,0,0|0,0,2]=4 4204 B10R2.7 N1Cc2c(C1)cccc2 1P00399N [1,0,0,1,0,0|2,0,0]=4 4205 B10R2.7 N1Cc2c(C1)cccc2 1P003RKJ [1,0,0,1,0,0|2,0,0]=4 4206 B10R2.7 O1Cc2c(C1)cccc2 1P003E0J [1,0,0,1,0,0|2,0,0]=4 4207 B10R2.7 S1Cc2c(C1)cccc2 1P002PM4 [1,0,0,1,0,0|2,0,0]=4 4208 B10R2.7 c1ccc2c(c1)C=CC2 1P0035HF [1,0,0,1,0,0|1,0,0]=3 4209 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [1,0,0,1,0,0|0,0,1]=3 4210 B10R2.7 c1ccc2c(c1)[nH]cc2 1P000QID [1,0,0,1,0,0|1,0,1]=4 4211 B10R2.7 c1ccc2c(c1)[nH]cn2 1P0034YF [1,0,0,1,0,0|2,0,0]=4 4212 B10R2.7 c1ccc2c(c1)[nH]cn2 1P01PO48 [1,0,0,1,0,0|2,0,0]=4 4213 B10R2.7 c1ccc2c(c1)[s+]cs2 1P003DXS [1,0,0,1,0,0|0,2,0]=4 4214 B10R2.7 c1ccc2c(c1)occ2 1P00BMCA [1,0,0,1,0,0|0,0,1]=3 4215 B10R2.7 c1ccc2c(c1)ocn2 1P0034YR [1,0,0,1,0,0|1,0,0]=3 4216 B10R2.7 c1ccc2c(c1)onc2 1P003DSK [1,0,0,1,0,0|1,0,1]=4 4217 B10R2.7 c1ccc2c(c1)scc2 1P0034YI [1,0,0,1,0,0|0,1,1]=4 4218 B10R2.7 c1ccc2c(c1)scn2 1P0034YP [1,0,0,1,0,0|1,1,0]=4 4219 B10R2.7 c1cnc2c(c1)cco2 1P007M4K [1,0,0,1,0,0|1,0,1]=4 4220 B10R2.7 c1cnc2c(c1)nco2 1P003TZE [1,0,0,1,0,0|2,0,0]=4 4221 B10R2.7 c1cnc2c(c1)occ2 1P00C2OS [1,0,0,1,0,0|1,0,1]=4 4222 B10R2.7 c1cnc2c(c1)ocn2 1P003TZD [1,0,0,1,0,0|2,0,0]=4 4223 B10R2.7 c1ncc2c(c1)cco2 1P00AQNP [1,0,0,1,0,0|1,0,1]=4 4224 B10R2.7 c1ncc2c(c1)occ2 1P00C37P [1,0,0,1,0,0|1,0,1]=4 4225 B10R2.7 c1ncc2c(c1)ocn2 1P00I5MR [1,0,0,1,0,0|2,0,0]=4 4226 B10R2.320 O=C1Cc2c1cccc2 1P00C72G [1,0,0,1,0,0|1,0,0]=3 4227 B10R2.2 O=C1Cc2c(C1)csc2 1P02922I [0,0,0,1,1,0|2,0,0]=4 4228 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,0,0,1,0,1|2,0,0]=4 4229 B12R2.22 O=C1CC(=C1)c2ccccc2 1P0283JH [0,0,0,1,0,1|1,0,0]=3 4230 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,0,0,1,0,1|1,0,0]=3 4231 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [0,0,0,1,0,1|2,0,0]=4 4232 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,0,0,1,0,1|1,0,0]=3 4233 B12R2.24 C1Oc2ccncc2NC1=O 1P0007G7 [0,0,0,1,0,1|2,0,0]=4 4234 B12R2.24 C1Oc2ncccc2NC1=O 1P0012RC [0,0,0,1,0,1|2,0,0]=4 4235 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [0,0,0,1,0,1|2,0,0]=4 4236 B12R2.24 CC1COc2c(N1)cccc2 1P00C0UG [0,0,0,1,0,1|1,0,1]=4 4237 B12R2.24 CN1COc2c(C1)cccc2 1P01FX7S [0,0,0,1,0,1|2,0,0]=4 4238 B12R2.24 Cc1ccc2c(c1)cccc2 1P0033UZ [0,0,0,1,0,1|2,0,0]=4 4239 B12R2.24 Cc1ccc2c(n1)cccc2 1P003I76 [0,0,0,1,0,1|2,0,0]=4 4240 B12R2.24 Cc1ccc2c(n1)cccc2 1P01EI87 [0,0,0,1,0,1|2,0,0]=4 4241 B12R2.24 Cc1cnc2c(c1)cccc2 1P00348A [0,0,0,1,0,1|2,0,0]=4 4242 B12R2.24 Cc1cnc2c(n1)cccc2 1P00FABR [0,0,0,1,0,1|2,0,0]=4 4243 B12R2.24 Cc1ncc2c(c1)cccc2 1P007TDZ [0,0,0,1,0,1|2,0,0]=4 4244 B12R2.24 Cc1nnc2c(n1)cccc2 1P00EB6P [0,0,0,1,0,1|2,0,0]=4 4245 B12R2.24 NC1COc2c(C1)cccc2 1P00383B [0,0,0,1,0,1|1,0,1]=4 4246 B12R2.24 NC1COc2c(C1)cccc2 1P00EFVT [0,0,0,1,0,1|1,0,1]=4 4247 B12R2.24 N[C@@H]1COc2c(C1)cccc2 1P003D2J [0,0,0,1,0,1|1,0,1]=4 4248 B12R2.24 O=C1CCc2c(C1)cccn2 1P00BD2K [0,0,0,1,0,1|2,0,0]=4 4249 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [0,0,0,1,0,1|2,0,0]=4 4250 B12R2.24 O=C1CCc2c(O1)cccc2 1P000PG9 [0,0,0,1,0,1|2,0,0]=4 4251 B12R2.24 O=C1CNc2c(N1)cccc2 1P00EBBL [0,0,0,1,0,1|2,0,0]=4 4252 B12R2.24 O=C1COc2c(C1)cccc2 1P002FDL [0,0,0,1,0,1|0,0,0]=2 4253 B12R2.24 O=C1COc2c(N1)cccc2 1P003HTH [0,0,0,1,0,1|1,0,0]=3 4254 B12R2.24 O=C1COc2c(N1)ccnc2 1P00AT1V [0,0,0,1,0,1|2,0,0]=4 4255 B12R2.24 O=C1COc2c(N1)nccc2 1P0029DK [0,0,0,1,0,1|2,0,0]=4 4256 B12R2.24 O=C1COc2c(O1)cccc2 1P00DUNM [0,0,0,1,0,1|1,0,0]=3 4257 B12R2.24 O=C1CSc2c(C1)cccc2 1P001YUW [0,0,0,1,0,1|0,1,0]=3 4258 B12R2.24 O=C1CSc2c(N1)cccc2 1P003HTJ [0,0,0,1,0,1|1,1,0]=4 4259 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [0,0,0,1,0,1|1,0,0]=3 4260 B12R2.24 O=C1NCc2c(C1)cccn2 1P01DL4O [0,0,0,1,0,1|2,0,0]=4 4261 B12R2.24 O=C1NCc2c(C1)cncc2 1P007BG4 [0,0,0,1,0,1|2,0,0]=4 4262 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,0,0,1,0,1|2,0,0]=4 4263 B12R2.24 O=C1NCc2c(O1)cccc2 1P009OMZ [0,0,0,1,0,1|2,0,0]=4 4264 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [0,0,0,1,0,1|0,0,0]=2 4265 B12R2.24 O=C1OCc2c(N1)cccc2 1P00AGC8 [0,0,0,1,0,1|1,0,0]=3 4266 B12R2.24 O=c1[nH]cc2c(c1)cccc2 1P00AIWV [0,0,0,1,0,1|1,0,1]=4 4267 B12R2.24 O=c1ccc2c(o1)cccc2 1P00IGUT [0,0,0,1,0,1|2,0,0]=4 4268 B12R2.24 O=c1cnc2c([nH]1)cccc2 1P000PQ3 [0,0,0,1,0,1|2,0,0]=4 4269 B12R2.24 O=c1cnc2c(o1)cccc2 1P027VQP [0,0,0,1,0,1|2,0,0]=4 4270 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [0,0,0,1,0,1|0,0,2]=4 4271 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [0,0,0,1,0,1|1,0,1]=4 4272 B12R2.2057 O1CC1COc2ccccc2 1P0035FN [0,0,0,1,0,1|0,0,2]=4 4273 B12R2.2057 O1C[C@@H]1COc2ccccc2 1P003CRZ [0,0,0,1,0,1|0,0,2]=4 4274 B12R2.2403 CC1(C)COc2c1cccc2 1P009JR8 [0,0,0,1,0,1|1,0,1]=4 4275 B12R2.2403 CC1(N)COc2c1cccc2 1P0282TC [0,0,0,1,0,1|1,0,1]=4 4276 B12R2.2403 C[Si]1(C)OCc2c1cccc2 1P00CA06 [0,0,0,1,0,1|1,1,0]=4 4277 B12R2.2403 OP1(=O)OCc2c1cccc2 1P028I0P [0,0,0,1,0,1|2,0,0]=4 4278 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,0,0,1,0,1|1,0,0]=3 4279 B12R2.3190 ClC(=O)C1Cc2c1cccc2 1P001F99 [0,0,0,1,0,1|2,0,0]=4 4280 B12R2.3190 OC(=O)C1Cc2c1cccc2 1P001IVS [0,0,0,1,0,1|2,0,0]=4 4281 B12R2.1041 Cc1cc2c(c1)ccccc2 1P005S3R [0,0,0,1,0,1|2,0,0]=4 4282 B12R2.294 Brc1ccc(cc1)OC2CC2 1P00BYEN [0,1,0,1,0,0|1,0,1]=4 4283 B12R2.294 Nc1ccc(cc1)OC2CC2 1P027XAZ [0,1,0,1,0,0|1,0,1]=4 4284 B12R2.294 Oc1ccc(cc1)OC2CC2 1P01B2ZO [0,1,0,1,0,0|1,0,1]=4 4285 B12R2.294 Sc1ccc(cc1)OC2CC2 1P01AG2Y [0,1,0,1,0,0|1,0,1]=4 4286 B12R2.606 Brc1cc2CC(=O)Nc2nc1 1P0027VC [0,1,0,1,0,0|2,0,0]=4 4287 B12R2.606 Brc1cc2NC(=O)Cc2nc1 1P000IC9 [0,1,0,1,0,0|2,0,0]=4 4288 B12R2.606 Brc1cc2[nH]c(=O)oc2nc1 1P01DFHZ [0,1,0,1,0,0|2,0,0]=4 4289 B12R2.606 Brc1cc2oc(=O)[nH]c2nc1 1P003NLM [0,1,0,1,0,0|2,0,0]=4 4290 B12R2.606 Brc1ccc2c(c1)[nH]c(=O)[nH]2 1P00791M [0,1,0,1,0,0|2,0,0]=4 4291 B12R2.606 Brc1ccc2c(c1)[nH]c(=O)o2 1P001F9Q [0,1,0,1,0,0|1,0,0]=3 4292 B12R2.606 Brc1ccc2c(c1)[nH]c(=O)s2 1P002CLC [0,1,0,1,0,0|1,1,0]=4 4293 B12R2.606 Brc1ccc2c(c1)[nH]c(=S)o2 1P003N0P [0,1,0,1,0,0|1,1,0]=4 4294 B12R2.606 Brc1ccc2c(c1)[nH]c(c2)C 1P00EGJK [0,1,0,1,0,0|2,0,0]=4 4295 B12R2.606 Brc1ccc2c(c1)cc([nH]2)C 1P007WM5 [0,1,0,1,0,0|2,0,0]=4 4296 B12R2.606 Brc1ccc2c(c1)cc(s2)C 1P00FLU2 [0,1,0,1,0,0|1,1,0]=4 4297 B12R2.606 Brc1ccc2c(c1)nc([nH]2)C 1P00AQHX [0,1,0,1,0,0|2,0,0]=4 4298 B12R2.606 Brc1ccc2c(c1)nc(o2)C 1P00EDS2 [0,1,0,1,0,0|1,0,0]=3 4299 B12R2.606 Brc1ccc2c(c1)nc(o2)Cl 1P003AQ7 [0,1,0,1,0,0|2,0,0]=4 4300 B12R2.606 Brc1ccc2c(c1)nc(o2)N 1P0037K0 [0,1,0,1,0,0|2,0,0]=4 4301 B12R2.606 Brc1ccc2c(c1)nc(s2)C 1P00IBR1 [0,1,0,1,0,0|1,1,0]=4 4302 B12R2.606 Brc1ccc2c(c1)oc(=O)[nH]2 1P002CJ8 [0,1,0,1,0,0|1,0,0]=3 4303 B12R2.606 Brc1ccc2c(c1)oc(n2)C 1P0038Q3 [0,1,0,1,0,0|1,0,0]=3 4304 B12R2.606 Brc1ccc2c(c1)oc(n2)Cl 1P000RE4 [0,1,0,1,0,0|2,0,0]=4 4305 B12R2.606 Brc1ccc2c(c1)oc(n2)N 1P003GYO [0,1,0,1,0,0|2,0,0]=4 4306 B12R2.606 Brc1ccc2c(c1)sc(=O)[nH]2 1P00E9VF [0,1,0,1,0,0|1,1,0]=4 4307 B12R2.606 Brc1ccc2c(c1)sc(c2)C 1P00IH0B [0,1,0,1,0,0|1,1,0]=4 4308 B12R2.606 Brc1ccc2c(c1)sc(n2)C 1P006UAF [0,1,0,1,0,0|1,1,0]=4 4309 B12R2.606 Brc1ccc2c(n1)CC(=O)N2 1P0036RL [0,1,0,1,0,0|2,0,0]=4 4310 B12R2.606 Brc1ccc2c(n1)NC(=O)C2 1P000IJ0 [0,1,0,1,0,0|2,0,0]=4 4311 B12R2.606 Brc1ccc2c(n1)[nH]c(=O)o2 1P00IMQU [0,1,0,1,0,0|2,0,0]=4 4312 B12R2.606 Brc1cnc2c(c1)nc(o2)C 1P000C1P [0,1,0,1,0,0|2,0,0]=4 4313 B12R2.606 Brc1cnc2c(c1)oc(n2)C 1P00DK27 [0,1,0,1,0,0|2,0,0]=4 4314 B12R2.606 CC1Oc2c(C1)cc(cc2)Br 1P0007KV [0,1,0,1,0,0|1,0,1]=4 4315 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P002SRL [0,1,0,1,0,0|1,0,1]=4 4316 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P00J21L [0,1,0,1,0,0|1,0,1]=4 4317 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P01EIN8 [0,1,0,1,0,0|1,0,1]=4 4318 B12R2.606 CC1Oc2c(C1)cc(cc2)O 1P01DYW0 [0,1,0,1,0,0|1,0,1]=4 4319 B12R2.606 Cc1cc2NC(=O)Cc2nc1 1P000IJP [0,1,0,1,0,0|2,0,0]=4 4320 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 1P00IA3S [0,1,0,1,0,0|2,0,0]=4 4321 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 1P007PQT [0,1,0,1,0,0|1,0,0]=3 4322 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)s2 1P00C7SR [0,1,0,1,0,0|1,1,0]=4 4323 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 1P003BPD [0,1,0,1,0,0|1,1,0]=4 4324 B12R2.606 Cc1ccc2c(c1)[nH]c(c2)C 1P00EIVD [0,1,0,1,0,0|2,0,0]=4 4325 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)C 1P0027BU [0,1,0,1,0,0|2,0,0]=4 4326 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C 1P000PPU [0,1,0,1,0,0|2,0,0]=4 4327 B12R2.606 Cc1ccc2c(c1)nc(o2)C 1P003BM6 [0,1,0,1,0,0|1,0,0]=3 4328 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl 1P00C68S [0,1,0,1,0,0|2,0,0]=4 4329 B12R2.606 Cc1ccc2c(c1)nc(o2)N 1P00EDFR [0,1,0,1,0,0|2,0,0]=4 4330 B12R2.606 Cc1ccc2c(c1)nc(s2)C 1P003GGF [0,1,0,1,0,0|1,1,0]=4 4331 B12R2.606 Cc1ccc2c(c1)oc(=O)[nH]2 1P00BIU0 [0,1,0,1,0,0|1,0,0]=3 4332 B12R2.606 Cc1ccc2c(c1)oc(n2)Cl 1P00CKWV [0,1,0,1,0,0|2,0,0]=4 4333 B12R2.606 Cc1ccc2c(c1)oc(n2)N 1P002H5B [0,1,0,1,0,0|2,0,0]=4 4334 B12R2.606 Cc1ccc2c(c1)oc(n2)S 1P00BK8R [0,1,0,1,0,0|1,1,0]=4 4335 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 1P00DCEH [0,1,0,1,0,0|1,1,0]=4 4336 B12R2.606 Cc1ccc2c(c1)sc(n2)C 1P003GM8 [0,1,0,1,0,0|1,1,0]=4 4337 B12R2.606 Cc1ccc2c(n1)[nH]c(=O)o2 1P00DL71 [0,1,0,1,0,0|2,0,0]=4 4338 B12R2.606 Clc1cc2CC(=O)Nc2nc1 1P000I2W [0,1,0,1,0,0|2,0,0]=4 4339 B12R2.606 Clc1cc2NC(=O)Cc2nc1 1P0012ZI [0,1,0,1,0,0|2,0,0]=4 4340 B12R2.606 Clc1cc2oc(=O)[nH]c2nc1 1P00CLMS [0,1,0,1,0,0|2,0,0]=4 4341 B12R2.606 Clc1ccc2c(c1)CC(=N2)N 1P01BRHC [0,1,0,1,0,0|2,0,0]=4 4342 B12R2.606 Clc1ccc2c(c1)[nH]c(=O)[nH]2 1P0029CC [0,1,0,1,0,0|2,0,0]=4 4343 B12R2.606 Clc1ccc2c(c1)[nH]c(=O)o2 1P0034PS [0,1,0,1,0,0|1,0,0]=3 4344 B12R2.606 Clc1ccc2c(c1)[nH]c(=O)s2 1P002AXE [0,1,0,1,0,0|1,1,0]=4 4345 B12R2.606 Clc1ccc2c(c1)[nH]c(=S)o2 1P00BC1Q [0,1,0,1,0,0|1,1,0]=4 4346 B12R2.606 Clc1ccc2c(c1)[nH]c(c2)C 1P00EDFS [0,1,0,1,0,0|2,0,0]=4 4347 B12R2.606 Clc1ccc2c(c1)cc([nH]2)C 1P007WM4 [0,1,0,1,0,0|2,0,0]=4 4348 B12R2.606 Clc1ccc2c(c1)nc([nH]2)C 1P003N3Z [0,1,0,1,0,0|2,0,0]=4 4349 B12R2.606 Clc1ccc2c(c1)nc(o2)C 1P002G6P [0,1,0,1,0,0|1,0,0]=3 4350 B12R2.606 Clc1ccc2c(c1)nc(o2)Cl 1P0038EY [0,1,0,1,0,0|2,0,0]=4 4351 B12R2.606 Clc1ccc2c(c1)nc(o2)N 1P003N55 [0,1,0,1,0,0|2,0,0]=4 4352 B12R2.606 Clc1ccc2c(c1)nc(s2)C 1P0002XL [0,1,0,1,0,0|1,1,0]=4 4353 B12R2.606 Clc1ccc2c(c1)oc(=N)[nH]2 1P003GYU [0,1,0,1,0,0|2,0,0]=4 4354 B12R2.606 Clc1ccc2c(c1)oc(=O)[nH]2 1P002CI1 [0,1,0,1,0,0|1,0,0]=3 4355 B12R2.606 Clc1ccc2c(c1)oc(=S)[nH]2 1P006ZZX [0,1,0,1,0,0|1,1,0]=4 4356 B12R2.606 Clc1ccc2c(c1)oc(n2)Br 1P009GSK [0,1,0,1,0,0|2,0,0]=4 4357 B12R2.606 Clc1ccc2c(c1)oc(n2)C 1P00EFZ3 [0,1,0,1,0,0|1,0,0]=3 4358 B12R2.606 Clc1ccc2c(c1)oc(n2)Cl 1P00I7N3 [0,1,0,1,0,0|2,0,0]=4 4359 B12R2.606 Clc1ccc2c(c1)sc(=O)[nH]2 1P00IBGN [0,1,0,1,0,0|1,1,0]=4 4360 B12R2.606 Clc1ccc2c(c1)sc(n2)C 1P00CI7W [0,1,0,1,0,0|1,1,0]=4 4361 B12R2.606 Clc1ccc2c(n1)CC(=O)N2 1P0012ZJ [0,1,0,1,0,0|2,0,0]=4 4362 B12R2.606 Clc1ccc2c(n1)NC(=O)C2 1P003NMT [0,1,0,1,0,0|2,0,0]=4 4363 B12R2.606 Fc1cc2CC(=O)Nc2nc1 1P000I3V [0,1,0,1,0,0|2,0,0]=4 4364 B12R2.606 Fc1cc2NC(=O)Cc2nc1 1P0012ZE [0,1,0,1,0,0|2,0,0]=4 4365 B12R2.606 Fc1ccc2c(c1)[nH]c(=O)[nH]2 1P00ABVX [0,1,0,1,0,0|2,0,0]=4 4366 B12R2.606 Fc1ccc2c(c1)[nH]c(=O)o2 1P003N89 [0,1,0,1,0,0|1,0,0]=3 4367 B12R2.606 Fc1ccc2c(c1)[nH]c(=O)s2 1P007CUA [0,1,0,1,0,0|1,1,0]=4 4368 B12R2.606 Fc1ccc2c(c1)[nH]c(c2)C 1P00C7OI [0,1,0,1,0,0|2,0,0]=4 4369 B12R2.606 Fc1ccc2c(c1)cc([nH]2)C 1P00I8AG [0,1,0,1,0,0|2,0,0]=4 4370 B12R2.606 Fc1ccc2c(c1)cc(o2)Br 1P01T62V [0,1,0,1,0,0|1,0,1]=4 4371 B12R2.606 Fc1ccc2c(c1)cc(s2)C 1P028I4P [0,1,0,1,0,0|1,1,0]=4 4372 B12R2.606 Fc1ccc2c(c1)nc([nH]2)C 1P008TCI [0,1,0,1,0,0|2,0,0]=4 4373 B12R2.606 Fc1ccc2c(c1)nc(o2)Br 1P0289UF [0,1,0,1,0,0|2,0,0]=4 4374 B12R2.606 Fc1ccc2c(c1)nc(o2)C 1P003N7T [0,1,0,1,0,0|1,0,0]=3 4375 B12R2.606 Fc1ccc2c(c1)nc(o2)Cl 1P009I2W [0,1,0,1,0,0|2,0,0]=4 4376 B12R2.606 Fc1ccc2c(c1)nc(o2)N 1P001YE9 [0,1,0,1,0,0|2,0,0]=4 4377 B12R2.606 Fc1ccc2c(c1)nc(o2)S 1P007MMJ [0,1,0,1,0,0|1,1,0]=4 4378 B12R2.606 Fc1ccc2c(c1)nc(s2)C 1P0034QE [0,1,0,1,0,0|1,1,0]=4 4379 B12R2.606 Fc1ccc2c(c1)oc(=O)[nH]2 1P002Y9R [0,1,0,1,0,0|1,0,0]=3 4380 B12R2.606 Fc1ccc2c(c1)oc(n2)Cl 1P00AMFY [0,1,0,1,0,0|2,0,0]=4 4381 B12R2.606 Fc1ccc2c(c1)oc(n2)N 1P0077YJ [0,1,0,1,0,0|2,0,0]=4 4382 B12R2.606 Fc1ccc2c(c1)oc(n2)S 1P00ATGJ [0,1,0,1,0,0|1,1,0]=4 4383 B12R2.606 Fc1ccc2c(c1)sc(=O)[nH]2 1P00EDK1 [0,1,0,1,0,0|1,1,0]=4 4384 B12R2.606 Fc1ccc2c(c1)sc(n2)C 1P00CL5N [0,1,0,1,0,0|1,1,0]=4 4385 B12R2.606 Fc1ccc2c(n1)NC(=O)C2 1P000IIU [0,1,0,1,0,0|2,0,0]=4 4386 B12R2.606 Ic1cc2CC(=O)Nc2nc1 1P000BU9 [0,1,0,1,0,0|2,0,0]=4 4387 B12R2.606 Ic1cc2NC(=O)Cc2nc1 1P000R9R [0,1,0,1,0,0|2,0,0]=4 4388 B12R2.606 Ic1ccc2c(c1)[nH]c(=O)[nH]2 1P00397U [0,1,0,1,0,0|2,0,0]=4 4389 B12R2.606 Ic1ccc2c(c1)[nH]c(c2)C 1P000R9D [0,1,0,1,0,0|2,0,0]=4 4390 B12R2.606 Ic1ccc2c(c1)cc(o2)C 1P00EDQS [0,1,0,1,0,0|1,0,0]=3 4391 B12R2.606 Ic1ccc2c(c1)nc([nH]2)C 1P00BC3F [0,1,0,1,0,0|2,0,0]=4 4392 B12R2.606 Ic1ccc2c(c1)nc(s2)C 1P00GVGT [0,1,0,1,0,0|1,1,0]=4 4393 B12R2.606 Ic1ccc2c(c1)oc(=O)[nH]2 1P00ABVG [0,1,0,1,0,0|1,0,0]=3 4394 B12R2.606 Ic1ccc2c(c1)oc(n2)N 1P0022FX [0,1,0,1,0,0|2,0,0]=4 4395 B12R2.606 Ic1ccc2c(c1)sc(n2)C 1P0061FU [0,1,0,1,0,0|1,1,0]=4 4396 B12R2.606 Nc1cc2CC(=O)Nc2nc1 1P00GUFX [0,1,0,1,0,0|2,0,0]=4 4397 B12R2.606 Nc1ccc2c(c1)[nH]c(=O)[nH]2 1P003MT5 [0,1,0,1,0,0|2,0,0]=4 4398 B12R2.606 Nc1ccc2c(c1)[nH]c(=O)o2 1P001FAO [0,1,0,1,0,0|1,0,0]=3 4399 B12R2.606 Nc1ccc2c(c1)[nH]c(=O)s2 1P00CWZI [0,1,0,1,0,0|1,1,0]=4 4400 B12R2.606 Nc1ccc2c(c1)[nH]c(=S)o2 1P006WRC [0,1,0,1,0,0|1,1,0]=4 4401 B12R2.606 Nc1ccc2c(c1)[nH]c(c2)C 1P0007MV [0,1,0,1,0,0|2,0,0]=4 4402 B12R2.606 Nc1ccc2c(c1)[nH]c(n2)C 1P002N8W [0,1,0,1,0,0|2,0,0]=4 4403 B12R2.606 Nc1ccc2c(c1)[nH]c(n2)C 1P002VRZ [0,1,0,1,0,0|2,0,0]=4 4404 B12R2.606 Nc1ccc2c(c1)cc([nH]2)C 1P003MU6 [0,1,0,1,0,0|2,0,0]=4 4405 B12R2.606 Nc1ccc2c(c1)cc(o2)C 1P00BXOQ [0,1,0,1,0,0|1,0,0]=3 4406 B12R2.606 Nc1ccc2c(c1)cc(o2)Cl 1P028KJX [0,1,0,1,0,0|1,0,1]=4 4407 B12R2.606 Nc1ccc2c(c1)nc(o2)C 1P00FB8Z [0,1,0,1,0,0|1,0,0]=3 4408 B12R2.606 Nc1ccc2c(c1)nc(o2)N 1P00ELCM [0,1,0,1,0,0|2,0,0]=4 4409 B12R2.606 Nc1ccc2c(c1)nc(s2)C 1P003I5D [0,1,0,1,0,0|1,1,0]=4 4410 B12R2.606 Nc1ccc2c(c1)nc(s2)C 1P00BZHH [0,1,0,1,0,0|1,1,0]=4 4411 B12R2.606 Nc1ccc2c(c1)oc(=O)[nH]2 1P00380Q [0,1,0,1,0,0|1,0,0]=3 4412 B12R2.606 Nc1ccc2c(c1)oc(n2)C 1P00ECG8 [0,1,0,1,0,0|1,0,0]=3 4413 B12R2.606 Nc1ccc2c(c1)oc(n2)S 1P007274 [0,1,0,1,0,0|1,1,0]=4 4414 B12R2.606 Nc1ccc2c(c1)sc(=O)[nH]2 1P0034S7 [0,1,0,1,0,0|1,1,0]=4 4415 B12R2.606 Nc1ccc2c(c1)sc(n2)C 1P003I5E [0,1,0,1,0,0|1,1,0]=4 4416 B12R2.606 O=C1Cc2c(C1)cc(cc2)Br 1P00202B [0,1,0,1,0,0|1,0,0]=3 4417 B12R2.606 O=C1Cc2c(C1)cc(cc2)Cl 1P00375N [0,1,0,1,0,0|1,0,0]=3 4418 B12R2.606 O=C1Cc2c(C1)cc(cc2)F 1P00IAPW [0,1,0,1,0,0|1,0,0]=3 4419 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br 1P0034T4 [0,1,0,1,0,0|1,0,0]=3 4420 B12R2.606 O=C1Cc2c(N1)cc(cc2)C 1P0034U2 [0,1,0,1,0,0|1,0,0]=3 4421 B12R2.606 O=C1Cc2c(N1)cc(cc2)Cl 1P00393R [0,1,0,1,0,0|1,0,0]=3 4422 B12R2.606 O=C1Cc2c(N1)cc(cc2)F 1P00IAJ0 [0,1,0,1,0,0|1,0,0]=3 4423 B12R2.606 O=C1Cc2c(N1)cc(cc2)I 1P00692G [0,1,0,1,0,0|1,0,0]=3 4424 B12R2.606 O=C1Cc2c(N1)cc(cc2)N 1P001N5X [0,1,0,1,0,0|1,0,0]=3 4425 B12R2.606 O=C1Cc2c(N1)cc(cc2)N 1P00J3GW [0,1,0,1,0,0|1,0,0]=3 4426 B12R2.606 O=C1Cc2c(N1)cc(cc2)O 1P00639Z [0,1,0,1,0,0|1,0,0]=3 4427 B12R2.606 O=C1Cc2c(N1)cc(nc2)Cl 1P00010V [0,1,0,1,0,0|2,0,0]=4 4428 B12R2.606 O=C1Cc2c(O1)cc(cc2)Br 1P01XC20 [0,1,0,1,0,0|0,0,0]=2 4429 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br 1P002KBD [0,1,0,1,0,0|1,0,0]=3 4430 B12R2.606 O=C1Nc2c(C1)cc(cc2)C 1P00BYK5 [0,1,0,1,0,0|1,0,0]=3 4431 B12R2.606 O=C1Nc2c(C1)cc(cc2)Cl 1P00250P [0,1,0,1,0,0|1,0,0]=3 4432 B12R2.606 O=C1Nc2c(C1)cc(cc2)F 1P0034QH [0,1,0,1,0,0|1,0,0]=3 4433 B12R2.606 O=C1Nc2c(C1)cc(cc2)I 1P00ABW0 [0,1,0,1,0,0|1,0,0]=3 4434 B12R2.606 O=C1Nc2c(C1)cc(cc2)N 1P002KBR [0,1,0,1,0,0|1,0,0]=3 4435 B12R2.606 O=C1Nc2c(C1)cc(cc2)N 1P00940X [0,1,0,1,0,0|1,0,0]=3 4436 B12R2.606 O=C1Nc2c(C1)cc(cc2)O 1P003845 [0,1,0,1,0,0|1,0,0]=3 4437 B12R2.606 O=C1Nc2c(C1)cc(cc2)S 1P019M1C [0,1,0,1,0,0|1,0,0]=3 4438 B12R2.606 O=C1Nc2c(C1)cc(nc2)Br 1P00162Q [0,1,0,1,0,0|2,0,0]=4 4439 B12R2.606 O=C1Nc2c(C1)cc(nc2)Cl 1P0012ZH [0,1,0,1,0,0|2,0,0]=4 4440 B12R2.606 O=C1Oc2c(C1)cc(cc2)Br 1P001X5M [0,1,0,1,0,0|0,0,0]=2 4441 B12R2.606 O=C1Oc2c(C1)cc(cc2)Cl 1P00CF33 [0,1,0,1,0,0|0,0,0]=2 4442 B12R2.606 O=C1Oc2c(C1)cc(cc2)F 1P01EFDD [0,1,0,1,0,0|0,0,0]=2 4443 B12R2.606 O=C1Oc2c(C1)cc(cc2)N 1P00G9WN [0,1,0,1,0,0|0,0,0]=2 4444 B12R2.606 O=C1Oc2c(C1)cc(cc2)O 1P003N97 [0,1,0,1,0,0|0,0,0]=2 4445 B12R2.606 Oc1cc2CC(=O)Nc2nc1 1P000IIO [0,1,0,1,0,0|2,0,0]=4 4446 B12R2.606 Oc1ccc2c(c1)[nH]c(=O)[nH]2 1P00CNAU [0,1,0,1,0,0|2,0,0]=4 4447 B12R2.606 Oc1ccc2c(c1)[nH]c(=O)o2 1P00DJVS [0,1,0,1,0,0|1,0,0]=3 4448 B12R2.606 Oc1ccc2c(c1)[nH]c(c2)C 1P00D9LH [0,1,0,1,0,0|2,0,0]=4 4449 B12R2.606 Oc1ccc2c(c1)cc([nH]2)C 1P0014S5 [0,1,0,1,0,0|2,0,0]=4 4450 B12R2.606 Oc1ccc2c(c1)nc([nH]2)C 1P00CLID [0,1,0,1,0,0|2,0,0]=4 4451 B12R2.606 Oc1ccc2c(c1)nc([nH]2)C 1P00J47R [0,1,0,1,0,0|2,0,0]=4 4452 B12R2.606 Oc1ccc2c(c1)nc(o2)C 1P00BK63 [0,1,0,1,0,0|1,0,0]=3 4453 B12R2.606 Oc1ccc2c(c1)nc(o2)Cl 1P01S95Y [0,1,0,1,0,0|2,0,0]=4 4454 B12R2.606 Oc1ccc2c(c1)nc(s2)C 1P005O55 [0,1,0,1,0,0|1,1,0]=4 4455 B12R2.606 Oc1ccc2c(c1)oc(=O)[nH]2 1P005O1C [0,1,0,1,0,0|1,0,0]=3 4456 B12R2.606 Oc1ccc2c(c1)oc(=O)o2 1P00GCV0 [0,1,0,1,0,0|1,0,0]=3 4457 B12R2.606 Oc1ccc2c(c1)oc(=O)s2 1P003NPA [0,1,0,1,0,0|1,0,0]=3 4458 B12R2.606 Oc1ccc2c(c1)oc(c2)C 1P00DIEY [0,1,0,1,0,0|1,0,0]=3 4459 B12R2.606 Oc1ccc2c(c1)oc(n2)C 1P00DDHE [0,1,0,1,0,0|1,0,0]=3 4460 B12R2.606 Oc1ccc2c(c1)sc(=N)o2 1P01BILN [0,1,0,1,0,0|1,1,0]=4 4461 B12R2.606 Oc1ccc2c(c1)sc(=O)o2 1P0054F7 [0,1,0,1,0,0|1,0,0]=3 4462 B12R2.606 Oc1ccc2c(c1)sc(n2)C 1P005O54 [0,1,0,1,0,0|1,1,0]=4 4463 B12R2.18 Brc1c(C)oc2c1cccc2 1P00EPBB [0,1,0,1,0,0|1,0,0]=3 4464 B12R2.18 Brc1c(C)sc2c1cccc2 1P0007WY [0,1,0,1,0,0|1,1,0]=4 4465 B12R2.18 C[n+]1c(C)sc2c1cccc2 1P00BMA3 [0,1,0,1,0,0|1,1,0]=4 4466 B12R2.18 C[n+]1c(C)sc2c1cccc2 1P01EXI9 [0,1,0,1,0,0|1,1,0]=4 4467 B12R2.18 Cc1[nH]c2c(c1Br)cccc2 1P001MBW [0,1,0,1,0,0|2,0,0]=4 4468 B12R2.18 Cc1[nH]c2c(c1C)cccc2 1P003G13 [0,1,0,1,0,0|2,0,0]=4 4469 B12R2.18 Cc1[nH]c2c(c1I)cccc2 1P00BHOH [0,1,0,1,0,0|2,0,0]=4 4470 B12R2.18 Cc1[nH]c2c(c1N)cccc2 1P01C5TU [0,1,0,1,0,0|2,0,0]=4 4471 B12R2.18 Cc1c(C)oc2c1cccc2 1P00BYVJ [0,1,0,1,0,0|1,0,0]=3 4472 B12R2.18 Cn1[nH]c2c(c1=O)cccc2 1P00ARH1 [0,1,0,1,0,0|2,0,0]=4 4473 B12R2.18 Cn1c(=N)sc2c1cccc2 1P001FO9 [0,1,0,1,0,0|1,1,0]=4 4474 B12R2.18 Cn1c(=N)sc2c1cccc2 1P01EI8D [0,1,0,1,0,0|1,1,0]=4 4475 B12R2.18 Cn1c(=O)[nH]c2c1cccc2 1P0038CR [0,1,0,1,0,0|1,0,0]=3 4476 B12R2.18 Cn1c(=O)[nH]c2c1cccn2 1P006V5P [0,1,0,1,0,0|2,0,0]=4 4477 B12R2.18 Cn1c(=O)[nH]c2c1ccnc2 1P01ALCE [0,1,0,1,0,0|2,0,0]=4 4478 B12R2.18 Cn1c(=O)[nH]c2c1cncc2 1P01GNNL [0,1,0,1,0,0|2,0,0]=4 4479 B12R2.18 Cn1c(=O)[nH]c2c1nccc2 1P00BIG4 [0,1,0,1,0,0|2,0,0]=4 4480 B12R2.18 Cn1c(=O)oc2c1cccc2 1P003K5Q [0,1,0,1,0,0|0,0,0]=2 4481 B12R2.18 Cn1c(=S)oc2c1cccc2 1P00710J [0,1,0,1,0,0|0,1,0]=3 4482 B12R2.18 Cn1c(Br)cc2c1cccc2 1P0044BX [0,1,0,1,0,0|2,0,0]=4 4483 B12R2.18 Cn1c(Br)nc2c1cccc2 1P00DJ8E [0,1,0,1,0,0|2,0,0]=4 4484 B12R2.18 Cn1c(C)cc2c1cccc2 1P00IF3Y [0,1,0,1,0,0|2,0,0]=4 4485 B12R2.18 Cn1c(C)nc2c1cccc2 1P002WUY [0,1,0,1,0,0|2,0,0]=4 4486 B12R2.18 Cn1c(Cl)nc2c1cccc2 1P0038CQ [0,1,0,1,0,0|2,0,0]=4 4487 B12R2.18 Cn1c(N)cc2c1cccc2 1P00CLGJ [0,1,0,1,0,0|2,0,0]=4 4488 B12R2.18 Cn1c(N)nc2c1cccc2 1P001TCP [0,1,0,1,0,0|2,0,0]=4 4489 B12R2.18 Cn1c(O)cc2c1cccc2 1P00GWBZ [0,1,0,1,0,0|1,0,1]=4 4490 B12R2.18 Cn1c(S)nc2c1cccc2 1P00BFRQ [0,1,0,1,0,0|1,1,0]=4 4491 B12R2.18 Cn1sc2c(c1=O)cccc2 1P003AYB [0,1,0,1,0,0|1,1,0]=4 4492 B12R2.18 Ic1c(C)sc2c1cccc2 1P001BVR [0,1,0,1,0,0|1,1,0]=4 4493 B12R2.18 NC1C(C)Oc2c1cccc2 1P01BBXP [0,1,0,1,0,0|1,0,1]=4 4494 B12R2.18 Nn1c(=O)[nH]c2c1cccc2 1P0008EC [0,1,0,1,0,0|2,0,0]=4 4495 B12R2.18 Nn1c(C)nc2c1cccc2 1P00F40I [0,1,0,1,0,0|2,0,0]=4 4496 B12R2.18 O=C1C(=O)Cc2c1cccc2 1P001T94 [0,1,0,1,0,0|1,0,0]=3 4497 B12R2.18 O=C1C(=O)Nc2c1cccc2 1P003RIR [0,1,0,1,0,0|1,0,1]=4 4498 B12R2.18 O=C1C(=O)Oc2c1cccc2 1P003OIQ [0,1,0,1,0,0|0,0,1]=3 4499 B12R2.18 O=C1C(=O)Sc2c1cccc2 1P00714N [0,1,0,1,0,0|0,1,1]=4 4500 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [0,1,0,1,0,0|1,0,1]=4 4501 B12R2.18 O=C1Cc2c(C1C)cccc2 1P019YQK [0,1,0,1,0,0|1,0,0]=3 4502 B12R2.18 O=C1Cc2c(C1N)cccc2 1P0286XU [0,1,0,1,0,0|1,0,0]=3 4503 B12R2.18 O=C1Cc2c(N1C)cccc2 1P00339I [0,1,0,1,0,0|1,0,0]=3 4504 B12R2.18 O=C1Cc2c(N1C)cncc2 1P00B3BG [0,1,0,1,0,0|2,0,0]=4 4505 B12R2.18 O=C1Cc2c(N1C)nccc2 1P001P0O [0,1,0,1,0,0|2,0,0]=4 4506 B12R2.18 O=C1Nc2c(C1Br)cccc2 1P002M2M [0,1,0,1,0,0|1,0,0]=3 4507 B12R2.18 O=C1Nc2c(C1C)cccc2 1P001N1S [0,1,0,1,0,0|1,0,0]=3 4508 B12R2.18 O=C1Nc2c(C1C)cccn2 1P0011YY [0,1,0,1,0,0|2,0,0]=4 4509 B12R2.18 O=C1Nc2c(C1Cl)cccc2 1P006DIR [0,1,0,1,0,0|1,0,0]=3 4510 B12R2.18 O=C1Nc2c(C1N)cccc2 1P00J1R7 [0,1,0,1,0,0|1,0,0]=3 4511 B12R2.18 O=C1Nc2c(C1O)cccc2 1P00EZKX [0,1,0,1,0,0|1,0,0]=3 4512 B12R2.18 O=c1oc2c(c1C)ccoc2 1P004Q5T [0,1,0,1,0,0|1,0,0]=3 4513 B12R2.18 On1c(=O)[nH]c2c1cccc2 1P00DX1I [0,1,0,1,0,0|2,0,0]=4 4514 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [0,1,0,1,0,0|1,0,0]=3 4515 B12R2.23 O=C1CCN1c2ccccc2 1P00DLNM [0,1,0,1,0,0|1,0,0]=3 4516 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [0,1,0,1,0,0|1,0,0]=3 4517 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [0,1,0,1,0,0|1,0,1]=4 4518 B12R2.32 BrCC1Cc2c(O1)cccc2 1P002CXU [0,1,0,1,0,0|1,0,1]=4 4519 B12R2.32 BrCc1cc2c(o1)cccc2 1P00CJZ1 [0,1,0,1,0,0|1,0,0]=3 4520 B12R2.32 BrCc1cc2c(s1)cccc2 1P0004PL [0,1,0,1,0,0|1,1,0]=4 4521 B12R2.32 BrCc1nc2c(o1)cccc2 1P005MS4 [0,1,0,1,0,0|1,0,0]=3 4522 B12R2.32 BrCc1nc2c(s1)cccc2 1P007W7B [0,1,0,1,0,0|1,1,0]=4 4523 B12R2.32 BrCc1nc2c(s1)cccc2 1P01A7C1 [0,1,0,1,0,0|1,1,0]=4 4524 B12R2.32 C#Cc1cc2c(o1)cccc2 1P0076MA [0,1,0,1,0,0|1,0,1]=4 4525 B12R2.32 CCc1cc2c([nH]1)cccc2 1P007HNW [0,1,0,1,0,0|2,0,0]=4 4526 B12R2.32 CCc1cc2c(o1)cccc2 1P0039OG [0,1,0,1,0,0|1,0,0]=3 4527 B12R2.32 CCc1nc2c([nH]1)cccc2 1P00I1Z7 [0,1,0,1,0,0|2,0,0]=4 4528 B12R2.32 CCc1nc2c(o1)cccc2 1P00624E [0,1,0,1,0,0|1,0,0]=3 4529 B12R2.32 CCc1nc2c(o1)cccn2 1P00DJNG [0,1,0,1,0,0|2,0,0]=4 4530 B12R2.32 CCc1nc2c(o1)nccc2 1P00GMMU [0,1,0,1,0,0|2,0,0]=4 4531 B12R2.32 CCc1nc2c(s1)cccc2 1P006227 [0,1,0,1,0,0|1,1,0]=4 4532 B12R2.32 CNc1nc2c([nH]1)cccc2 1P00AMFX [0,1,0,1,0,0|2,0,0]=4 4533 B12R2.32 CNc1nc2c(o1)cccc2 1P002BGI [0,1,0,1,0,0|1,0,0]=3 4534 B12R2.32 CNc1nc2c(s1)cccc2 1P00HZSB [0,1,0,1,0,0|1,1,0]=4 4535 B12R2.32 CNc1nc2c(s1)cccc2 1P019KYU [0,1,0,1,0,0|1,1,0]=4 4536 B12R2.32 COc1cc2c([nH]1)cccc2 1P01KL3V [0,1,0,1,0,0|2,0,0]=4 4537 B12R2.32 CSc1cc2c([nH]1)cccc2 1P027XHZ [0,1,0,1,0,0|2,0,0]=4 4538 B12R2.32 CSc1nc2c([nH]1)cccc2 1P003FK2 [0,1,0,1,0,0|2,0,0]=4 4539 B12R2.32 CSc1nc2c(o1)cccc2 1P00HV5A [0,1,0,1,0,0|1,0,0]=3 4540 B12R2.32 CSc1nc2c(o1)cccn2 1P001Z0R [0,1,0,1,0,0|2,0,0]=4 4541 B12R2.32 CSc1nc2c(o1)ccnc2 1P00HFRR [0,1,0,1,0,0|2,0,0]=4 4542 B12R2.32 CSc1nc2c(s1)cccc2 1P0033UY [0,1,0,1,0,0|1,1,0]=4 4543 B12R2.32 ClCC1Cc2c(O1)cccc2 1P00DLTJ [0,1,0,1,0,0|1,0,1]=4 4544 B12R2.32 ClCc1cc2c(o1)cccc2 1P00CMGU [0,1,0,1,0,0|1,0,0]=3 4545 B12R2.32 ClCc1cc2c(o1)nccc2 1P027W6Y [0,1,0,1,0,0|2,0,0]=4 4546 B12R2.32 ClCc1cc2c(s1)cccc2 1P002JM6 [0,1,0,1,0,0|1,1,0]=4 4547 B12R2.32 ClCc1nc2c([nH]1)cccc2 1P003HJB [0,1,0,1,0,0|2,0,0]=4 4548 B12R2.32 ClCc1nc2c([nH]1)cccc2 1P019MO8 [0,1,0,1,0,0|2,0,0]=4 4549 B12R2.32 ClCc1nc2c(o1)cccc2 1P00BZYN [0,1,0,1,0,0|1,0,0]=3 4550 B12R2.32 ClCc1nc2c(o1)cccn2 1P003FH8 [0,1,0,1,0,0|2,0,0]=4 4551 B12R2.32 ClCc1nc2c(s1)cccc2 1P00C6GF [0,1,0,1,0,0|1,1,0]=4 4552 B12R2.32 ClCc1nc2c(s1)cccc2 1P00J207 [0,1,0,1,0,0|1,1,0]=4 4553 B12R2.32 ICC1Cc2c(O1)cccc2 1P00EFUD [0,1,0,1,0,0|1,0,1]=4 4554 B12R2.32 N#CC1Cc2c(O1)cccc2 1P01PW8C [0,1,0,1,0,0|1,0,1]=4 4555 B12R2.32 N#Cc1cc2c(o1)cccc2 1P00CAB1 [0,1,0,1,0,0|1,0,1]=4 4556 B12R2.32 N#Cc1nc2c(o1)cccc2 1P00CZYI [0,1,0,1,0,0|1,0,1]=4 4557 B12R2.32 NCC1Cc2c(O1)cccc2 1P00BI7W [0,1,0,1,0,0|1,0,1]=4 4558 B12R2.32 NCC1Oc2c(O1)cccc2 1P003FFI [0,1,0,1,0,0|0,0,2]=4 4559 B12R2.32 NCc1cc2c([nH]1)cccc2 1P000HOV [0,1,0,1,0,0|2,0,0]=4 4560 B12R2.32 NCc1cc2c([nH]1)cccc2 1P002LMD [0,1,0,1,0,0|2,0,0]=4 4561 B12R2.32 NCc1cc2c([nH]1)cccc2 1P0098M9 [0,1,0,1,0,0|2,0,0]=4 4562 B12R2.32 NCc1cc2c([nH]1)cccc2 1P00J3F7 [0,1,0,1,0,0|2,0,0]=4 4563 B12R2.32 NCc1cc2c(o1)cccc2 1P00C9A2 [0,1,0,1,0,0|1,0,0]=3 4564 B12R2.32 NCc1cc2c(o1)cccc2 1P00GCLW [0,1,0,1,0,0|1,0,0]=3 4565 B12R2.32 NCc1cc2c(o1)cccn2 1P028BTF [0,1,0,1,0,0|2,0,0]=4 4566 B12R2.32 NCc1cc2c(o1)ccnc2 1P01BTUB [0,1,0,1,0,0|2,0,0]=4 4567 B12R2.32 NCc1cc2c(s1)cccc2 1P002PSI [0,1,0,1,0,0|1,1,0]=4 4568 B12R2.32 NCc1cc2c(s1)cccc2 1P00EBI9 [0,1,0,1,0,0|1,1,0]=4 4569 B12R2.32 NCc1nc2c([nH]1)cccc2 1P000GMX [0,1,0,1,0,0|2,0,0]=4 4570 B12R2.32 NCc1nc2c([nH]1)cccc2 1P0059FZ [0,1,0,1,0,0|2,0,0]=4 4571 B12R2.32 NCc1nc2c([nH]1)cccc2 1P00E9WH [0,1,0,1,0,0|2,0,0]=4 4572 B12R2.32 NCc1nc2c([nH]1)cccc2 1P00EAFQ [0,1,0,1,0,0|2,0,0]=4 4573 B12R2.32 NCc1nc2c(o1)cccc2 1P008ULJ [0,1,0,1,0,0|1,0,0]=3 4574 B12R2.32 NCc1nc2c(o1)cccn2 1P01EINP [0,1,0,1,0,0|2,0,0]=4 4575 B12R2.32 NCc1nc2c(o1)nccc2 1P01DDQG [0,1,0,1,0,0|2,0,0]=4 4576 B12R2.32 NCc1nc2c(s1)cccc2 1P00C9GU [0,1,0,1,0,0|1,1,0]=4 4577 B12R2.32 NNc1nc2c(o1)cccc2 1P001N98 [0,1,0,1,0,0|2,0,0]=4 4578 B12R2.32 O=CC1Cc2c(C1)cccc2 1P00C7D0 [0,1,0,1,0,0|1,0,1]=4 4579 B12R2.32 O=CN1Cc2c(C1)cccc2 1P00CXYD [0,1,0,1,0,0|2,0,0]=4 4580 B12R2.32 O=Cc1cc2c([nH]1)cccc2 1P002EQW [0,1,0,1,0,0|1,0,1]=4 4581 B12R2.32 O=Cc1cc2c(o1)cccc2 1P003OI7 [0,1,0,1,0,0|0,0,1]=3 4582 B12R2.32 O=Cc1cc2c(o1)cccn2 1P007TYY [0,1,0,1,0,0|1,0,1]=4 4583 B12R2.32 O=Cc1cc2c(o1)ccnc2 1P007TYX [0,1,0,1,0,0|1,0,1]=4 4584 B12R2.32 O=Cc1cc2c(o1)cncc2 1P007BQX [0,1,0,1,0,0|1,0,1]=4 4585 B12R2.32 O=Cc1cc2c(o1)nccc2 1P007BIB [0,1,0,1,0,0|1,0,1]=4 4586 B12R2.32 O=Cc1cc2c(s1)cccc2 1P00C0XI [0,1,0,1,0,0|0,1,1]=4 4587 B12R2.32 O=Cc1nc2c([nH]1)cccc2 1P00BY2Z [0,1,0,1,0,0|2,0,0]=4 4588 B12R2.32 O=Cc1nc2c(o1)cccc2 1P00EAVR [0,1,0,1,0,0|1,0,0]=3 4589 B12R2.32 O=Cc1nc2c(s1)cccc2 1P00FB9B [0,1,0,1,0,0|1,1,0]=4 4590 B12R2.32 O=NN1Cc2c(C1)cccc2 1P0284Q1 [0,1,0,1,0,0|2,0,0]=4 4591 B12R2.32 OCC1Cc2c(O1)cccc2 1P00FBQ0 [0,1,0,1,0,0|0,0,2]=4 4592 B12R2.32 OCc1cc2c([nH]1)cccc2 1P002PAK [0,1,0,1,0,0|2,0,0]=4 4593 B12R2.32 OCc1cc2c(o1)cccc2 1P00IAAH [0,1,0,1,0,0|1,0,0]=3 4594 B12R2.32 OCc1cc2c(o1)ccnc2 1P01B5HV [0,1,0,1,0,0|2,0,0]=4 4595 B12R2.32 OCc1cc2c(s1)cccc2 1P0026XG [0,1,0,1,0,0|1,1,0]=4 4596 B12R2.32 OCc1nc2c([nH]1)cccc2 1P003EU1 [0,1,0,1,0,0|2,0,0]=4 4597 B12R2.32 OCc1nc2c(o1)cccc2 1P005PLR [0,1,0,1,0,0|1,0,0]=3 4598 B12R2.32 OCc1nc2c(s1)cccc2 1P00BY2X [0,1,0,1,0,0|1,1,0]=4 4599 B12R2.32 ON=C1Cc2c(C1)cccc2 1P003HWV [0,1,0,1,0,0|1,0,1]=4 4600 B12R2.32 SCc1nc2c([nH]1)cccc2 1P00J1NL [0,1,0,1,0,0|2,0,0]=4 4601 B12R2.2058 N1CC(=Cc2ccccc2)C1 1P027YZ9 [0,1,0,1,0,0|2,0,0]=4 4602 B12R2.2058 N1CC(C1)Oc2ccccc2 1P0038WI [0,1,0,1,0,0|1,0,1]=4 4603 B12R2.2058 N1CC(C1)Oc2ccccc2 1P00C2MF [0,1,0,1,0,0|1,0,1]=4 4604 B12R2.95 CC1(C)Cc2c(O1)cccc2 1P00EA0R [0,1,0,1,0,0|1,0,1]=4 4605 B12R2.95 CC1(C)Oc2c(O1)cccc2 1P001CF4 [0,1,0,1,0,0|0,0,2]=4 4606 B12R2.95 CP1(=O)Cc2c(N1)cccc2 1P01IUPX [0,1,0,1,0,0|2,0,0]=4 4607 B12R2.95 O=S1(=O)Cc2c(C1)cccc2 1P002PM5 [0,1,0,1,0,0|2,0,0]=4 4608 B12R2.95 O=S1(=O)Cc2c(N1)cccc2 1P007TSN [0,1,0,1,0,0|2,0,0]=4 4609 B12R2.95 O=S1(=O)Oc2c(O1)cccc2 1P0075UW [0,1,0,1,0,0|2,0,0]=4 4610 B12R2.202 Brc1oc2c(n1)c(F)ccc2 1P01DVWT [0,1,0,1,0,0|2,0,0]=4 4611 B12R2.202 CC1=Cc2c(C1)c(Br)ccc2 1P004IKJ [0,1,0,1,0,0|2,0,0]=4 4612 B12R2.202 CC1Cc2c(O1)c(Br)ccc2 1P01BKVB [0,1,0,1,0,0|1,0,1]=4 4613 B12R2.202 CC1Cc2c(O1)c(Cl)ccc2 1P01AIYG [0,1,0,1,0,0|1,0,1]=4 4614 B12R2.202 CC1Cc2c(O1)c(N)ccc2 1P002SRN [0,1,0,1,0,0|1,0,1]=4 4615 B12R2.202 Cc1[nH]c2c(c1)c(C)ccc2 1P008Y1E [0,1,0,1,0,0|2,0,0]=4 4616 B12R2.202 Cc1[nH]c2c(c1)cccc2C 1P00DK87 [0,1,0,1,0,0|2,0,0]=4 4617 B12R2.202 Cc1[nH]c2c(n1)cccc2C 1P002N8X [0,1,0,1,0,0|2,0,0]=4 4618 B12R2.202 Cc1cc2c([nH]1)c(Br)ccc2 1P002ZYT [0,1,0,1,0,0|2,0,0]=4 4619 B12R2.202 Cc1cc2c([nH]1)c(F)ccc2 1P00DXUE [0,1,0,1,0,0|2,0,0]=4 4620 B12R2.202 Cc1cc2c([nH]1)cccc2Br 1P00ED74 [0,1,0,1,0,0|2,0,0]=4 4621 B12R2.202 Cc1cc2c([nH]1)cccc2Cl 1P00EEM6 [0,1,0,1,0,0|2,0,0]=4 4622 B12R2.202 Cc1cc2c([nH]1)cccc2F 1P000R9C [0,1,0,1,0,0|2,0,0]=4 4623 B12R2.202 Cc1cc2c([nH]1)cccc2N 1P0023Y9 [0,1,0,1,0,0|2,0,0]=4 4624 B12R2.202 Cc1cc2c([nH]1)cccc2O 1P003I1Y [0,1,0,1,0,0|2,0,0]=4 4625 B12R2.202 Cc1cc2c(o1)c(Br)ccc2 1P00IAPR [0,1,0,1,0,0|1,0,0]=3 4626 B12R2.202 Cc1cc2c(o1)c(Cl)ccn2 1P00BJ5O [0,1,0,1,0,0|2,0,0]=4 4627 B12R2.202 Cc1cc2c(o1)c(N)ccc2 1P00J1VE [0,1,0,1,0,0|1,0,0]=3 4628 B12R2.202 Cc1cc2c(o1)c(O)ccc2 1P024Z0L [0,1,0,1,0,0|1,0,0]=3 4629 B12R2.202 Cc1cc2c(s1)c(Br)ccc2 1P005YY6 [0,1,0,1,0,0|1,1,0]=4 4630 B12R2.202 Cc1nc2c([nH]1)c(Br)ccc2 1P0028MG [0,1,0,1,0,0|2,0,0]=4 4631 B12R2.202 Cc1nc2c([nH]1)c(N)ccc2 1P00J3OJ [0,1,0,1,0,0|2,0,0]=4 4632 B12R2.202 Cc1nc2c([nH]1)cccc2Cl 1P003LKC [0,1,0,1,0,0|2,0,0]=4 4633 B12R2.202 Cc1nc2c([nH]1)cccc2F 1P00AOWU [0,1,0,1,0,0|2,0,0]=4 4634 B12R2.202 Cc1nc2c([nH]1)cccc2O 1P00IJ4S [0,1,0,1,0,0|2,0,0]=4 4635 B12R2.202 Cc1nc2c(o1)c(Br)ccc2 1P000LPN [0,1,0,1,0,0|1,0,0]=3 4636 B12R2.202 Cc1nc2c(o1)c(Br)cnc2 1P000C1Q [0,1,0,1,0,0|2,0,0]=4 4637 B12R2.202 Cc1nc2c(o1)c(Cl)ccc2 1P01DDRR [0,1,0,1,0,0|1,0,0]=3 4638 B12R2.202 Cc1nc2c(o1)c(Cl)ncc2 1P00AB6J [0,1,0,1,0,0|2,0,0]=4 4639 B12R2.202 Cc1nc2c(o1)cccc2C 1P003GB1 [0,1,0,1,0,0|1,0,0]=3 4640 B12R2.202 Cc1nc2c(s1)c(Br)ccc2 1P008ZIZ [0,1,0,1,0,0|1,1,0]=4 4641 B12R2.202 Cc1nc2c(s1)c(N)ccc2 1P00DOGZ [0,1,0,1,0,0|1,1,0]=4 4642 B12R2.202 Cc1nc2c(s1)cccc2C 1P00DI0D [0,1,0,1,0,0|1,1,0]=4 4643 B12R2.202 Cc1oc2c(c1)c(=O)[nH]cc2 1P00BJ6C [0,1,0,1,0,0|2,0,0]=4 4644 B12R2.202 Cc1oc2c(c1)c(Br)ccc2 1P01BDGU [0,1,0,1,0,0|1,0,0]=3 4645 B12R2.202 Cc1oc2c(c1)c(Cl)ncc2 1P00BJ6I [0,1,0,1,0,0|2,0,0]=4 4646 B12R2.202 Cc1oc2c(n1)c(Br)ccc2 1P00BIW6 [0,1,0,1,0,0|1,0,0]=3 4647 B12R2.202 Cc1oc2c(n1)c(F)ccc2 1P01DDFL [0,1,0,1,0,0|1,0,0]=3 4648 B12R2.202 Cc1oc2c(n1)c(N)ccc2 1P003AOK [0,1,0,1,0,0|1,0,0]=3 4649 B12R2.202 Cc1oc2c(n1)c(O)ccc2 1P01AGK0 [0,1,0,1,0,0|1,0,0]=3 4650 B12R2.202 Cc1sc2c(c1)c(Br)ccc2 1P028UCY [0,1,0,1,0,0|1,1,0]=4 4651 B12R2.202 Cc1sc2c(c1)cccc2C 1P00B0EU [0,1,0,1,0,0|1,1,0]=4 4652 B12R2.202 Cc1sc2c(n1)c(Br)ccc2 1P007UWR [0,1,0,1,0,0|1,1,0]=4 4653 B12R2.202 Cc1sc2c(n1)c(Cl)ccc2 1P0072DW [0,1,0,1,0,0|1,1,0]=4 4654 B12R2.202 Cc1sc2c(n1)c(O)ccc2 1P00IJ4R [0,1,0,1,0,0|1,1,0]=4 4655 B12R2.202 Clc1nc2c(o1)c(Br)ccc2 1P0096BI [0,1,0,1,0,0|2,0,0]=4 4656 B12R2.202 Clc1nc2c(o1)c(C)ccc2 1P01AV34 [0,1,0,1,0,0|2,0,0]=4 4657 B12R2.202 Clc1oc2c(n1)c(Br)ccc2 1P000V07 [0,1,0,1,0,0|2,0,0]=4 4658 B12R2.202 Clc1oc2c(n1)c(C)ccc2 1P009220 [0,1,0,1,0,0|2,0,0]=4 4659 B12R2.202 Clc1oc2c(n1)c(F)ccc2 1P000CMJ [0,1,0,1,0,0|2,0,0]=4 4660 B12R2.202 Clc1oc2c(n1)cccc2Cl 1P01BJ00 [0,1,0,1,0,0|2,0,0]=4 4661 B12R2.202 Ic1cc2c(o1)c(Br)ccc2 1P027Y5M [0,1,0,1,0,0|1,0,1]=4 4662 B12R2.202 Nc1nc2c(o1)c(Br)ccc2 1P0096AQ [0,1,0,1,0,0|2,0,0]=4 4663 B12R2.202 Nc1nc2c(o1)c(C)ccc2 1P00HS1N [0,1,0,1,0,0|2,0,0]=4 4664 B12R2.202 Nc1nc2c(o1)c(Cl)ccc2 1P00EEKB [0,1,0,1,0,0|2,0,0]=4 4665 B12R2.202 Nc1nc2c(o1)c(F)ccc2 1P00HS0J [0,1,0,1,0,0|2,0,0]=4 4666 B12R2.202 Nc1oc2c(n1)c(Br)ccc2 1P0022NV [0,1,0,1,0,0|2,0,0]=4 4667 B12R2.202 Nc1oc2c(n1)c(C)ccc2 1P00IIYX [0,1,0,1,0,0|2,0,0]=4 4668 B12R2.202 Nc1oc2c(n1)c(F)ccc2 1P00I0M0 [0,1,0,1,0,0|2,0,0]=4 4669 B12R2.202 Nc1oc2c(n1)c(O)ccc2 1P00IKL6 [0,1,0,1,0,0|2,0,0]=4 4670 B12R2.202 O=C1C=c2c(=N1)c(C)ccc2 1P0078DY [0,1,0,1,0,0|1,0,1]=4 4671 B12R2.202 O=C1Cc2c(C1)cccc2Br 1P0038V7 [0,1,0,1,0,0|1,0,0]=3 4672 B12R2.202 O=C1Cc2c(C1)cccc2Cl 1P0036Z2 [0,1,0,1,0,0|1,0,0]=3 4673 B12R2.202 O=C1Cc2c(C1)cccc2F 1P008UUM [0,1,0,1,0,0|1,0,0]=3 4674 B12R2.202 O=C1Cc2c(N1)c(Br)ccc2 1P0037U6 [0,1,0,1,0,0|1,0,0]=3 4675 B12R2.202 O=C1Cc2c(N1)c(Br)ccn2 1P000PM0 [0,1,0,1,0,0|2,0,0]=4 4676 B12R2.202 O=C1Cc2c(N1)c(Br)cnc2 1P0026U2 [0,1,0,1,0,0|2,0,0]=4 4677 B12R2.202 O=C1Cc2c(N1)c(Br)ncc2 1P000I9L [0,1,0,1,0,0|2,0,0]=4 4678 B12R2.202 O=C1Cc2c(N1)c(C)ccn2 1P00DGP6 [0,1,0,1,0,0|2,0,0]=4 4679 B12R2.202 O=C1Cc2c(N1)c(Cl)ccc2 1P006VKK [0,1,0,1,0,0|1,0,0]=3 4680 B12R2.202 O=C1Cc2c(N1)c(Cl)ccn2 1P000PLW [0,1,0,1,0,0|2,0,0]=4 4681 B12R2.202 O=C1Cc2c(N1)c(Cl)ncc2 1P0026FW [0,1,0,1,0,0|2,0,0]=4 4682 B12R2.202 O=C1Cc2c(N1)c(F)ccc2 1P0034V0 [0,1,0,1,0,0|1,0,0]=3 4683 B12R2.202 O=C1Cc2c(N1)c(N)ccc2 1P007NUN [0,1,0,1,0,0|1,0,0]=3 4684 B12R2.202 O=C1Cc2c(O1)c(Br)ccc2 1P0290AL [0,1,0,1,0,0|0,0,0]=2 4685 B12R2.202 O=C1Cc2c(O1)c(Cl)ccc2 1P0286FY [0,1,0,1,0,0|0,0,0]=2 4686 B12R2.202 O=C1Nc2c(C1)c(Br)ccc2 1P0034F9 [0,1,0,1,0,0|1,0,0]=3 4687 B12R2.202 O=C1Nc2c(C1)c(Br)ccn2 1P007CN3 [0,1,0,1,0,0|2,0,0]=4 4688 B12R2.202 O=C1Nc2c(C1)c(Br)cnc2 1P000I9Q [0,1,0,1,0,0|2,0,0]=4 4689 B12R2.202 O=C1Nc2c(C1)c(Br)ncc2 1P009MDW [0,1,0,1,0,0|2,0,0]=4 4690 B12R2.202 O=C1Nc2c(C1)c(C)ccc2 1P0010TH [0,1,0,1,0,0|1,0,0]=3 4691 B12R2.202 O=C1Nc2c(C1)c(C)ccn2 1P000IJO [0,1,0,1,0,0|2,0,0]=4 4692 B12R2.202 O=C1Nc2c(C1)c(Cl)ccc2 1P002KBE [0,1,0,1,0,0|1,0,0]=3 4693 B12R2.202 O=C1Nc2c(C1)c(Cl)ccn2 1P003LIO [0,1,0,1,0,0|2,0,0]=4 4694 B12R2.202 O=C1Nc2c(C1)c(Cl)ncc2 1P000I1T [0,1,0,1,0,0|2,0,0]=4 4695 B12R2.202 O=C1Nc2c(C1)c(F)ccc2 1P00191Z [0,1,0,1,0,0|1,0,0]=3 4696 B12R2.202 O=C1Nc2c(C1)c(F)ccn2 1P00H96Z [0,1,0,1,0,0|2,0,0]=4 4697 B12R2.202 O=C1Nc2c(C1)c(I)ccc2 1P0027IT [0,1,0,1,0,0|1,0,0]=3 4698 B12R2.202 O=C1Nc2c(C1)c(I)ccn2 1P000IH8 [0,1,0,1,0,0|2,0,0]=4 4699 B12R2.202 O=C1Nc2c(C1)c(N)ccc2 1P00DGLJ [0,1,0,1,0,0|1,0,0]=3 4700 B12R2.202 O=C1Nc2c(C1)c(N)ccc2 1P028EB4 [0,1,0,1,0,0|1,0,0]=3 4701 B12R2.202 O=C1Nc2c(C1)c(O)ccc2 1P0071F2 [0,1,0,1,0,0|1,0,0]=3 4702 B12R2.202 O=C1Nc2c(C1)c(O)ccn2 1P000HY0 [0,1,0,1,0,0|2,0,0]=4 4703 B12R2.202 O=C1Oc2c(C1)c(Br)ccc2 1P0202LA [0,1,0,1,0,0|0,0,0]=2 4704 B12R2.202 O=c1[nH]c2c([nH]1)cccc2Br 1P00CNEO [0,1,0,1,0,0|2,0,0]=4 4705 B12R2.202 O=c1[nH]c2c([nH]1)cccc2C 1P002G0O [0,1,0,1,0,0|2,0,0]=4 4706 B12R2.202 O=c1[nH]c2c([nH]1)cccc2F 1P00BJ2J [0,1,0,1,0,0|2,0,0]=4 4707 B12R2.202 O=c1[nH]c2c([nH]1)cccc2N 1P005YGQ [0,1,0,1,0,0|2,0,0]=4 4708 B12R2.202 O=c1[nH]c2c([nH]1)cccc2O 1P00FGYI [0,1,0,1,0,0|2,0,0]=4 4709 B12R2.202 O=c1oc2c([nH]1)c(Br)ccc2 1P01E9LU [0,1,0,1,0,0|1,0,0]=3 4710 B12R2.202 O=c1oc2c([nH]1)c(F)ccc2 1P00ELTP [0,1,0,1,0,0|1,0,0]=3 4711 B12R2.202 O=c1oc2c([nH]1)c(N)ccc2 1P005HGW [0,1,0,1,0,0|1,0,0]=3 4712 B12R2.202 O=c1oc2c([nH]1)c(O)ccc2 1P002VG9 [0,1,0,1,0,0|1,0,0]=3 4713 B12R2.202 O=c1oc2c([nH]1)cccc2Br 1P0036TT [0,1,0,1,0,0|1,0,0]=3 4714 B12R2.202 O=c1oc2c([nH]1)cccc2C 1P0074EM [0,1,0,1,0,0|1,0,0]=3 4715 B12R2.202 O=c1oc2c([nH]1)cccc2F 1P00DLSK [0,1,0,1,0,0|1,0,0]=3 4716 B12R2.202 O=c1oc2c([nH]1)cccc2N 1P005LV5 [0,1,0,1,0,0|1,0,0]=3 4717 B12R2.202 O=c1sc2c([nH]1)c(C)ccc2 1P005EH4 [0,1,0,1,0,0|1,1,0]=4 4718 B12R2.202 O=c1sc2c([nH]1)c(Cl)ccc2 1P00BXS8 [0,1,0,1,0,0|1,1,0]=4 4719 B12R2.202 O=c1sc2c([nH]1)c(F)ccc2 1P00EDK2 [0,1,0,1,0,0|1,1,0]=4 4720 B12R2.202 O=c1sc2c([nH]1)cccc2Br 1P007Q16 [0,1,0,1,0,0|1,1,0]=4 4721 B12R2.202 O=c1sc2c([nH]1)cccc2C 1P00GRC6 [0,1,0,1,0,0|1,1,0]=4 4722 B12R2.202 O=c1sc2c([nH]1)cccc2Cl 1P00G5H4 [0,1,0,1,0,0|1,1,0]=4 4723 B12R2.202 O=c1sc2c([nH]1)cccc2F 1P01ANR8 [0,1,0,1,0,0|1,1,0]=4 4724 B12R2.202 S=c1oc2c([nH]1)c(O)ccc2 1P003LZV [0,1,0,1,0,0|1,1,0]=4 4725 B12R2.202 S=c1oc2c([nH]1)cccc2Br 1P009MCA [0,1,0,1,0,0|1,1,0]=4 4726 B12R2.202 S=c1oc2c([nH]1)cccc2F 1P01DDRS [0,1,0,1,0,0|1,1,0]=4 4727 B12R2.202 Sc1nc2c(o1)c(Cl)ccc2 1P003NUW [0,1,0,1,0,0|1,1,0]=4 4728 B12R2.202 Sc1oc2c(n1)c(C)ccc2 1P00J7L9 [0,1,0,1,0,0|1,1,0]=4 4729 B12R2.202 Sc1oc2c(n1)c(F)ccc2 1P01BF4M [0,1,0,1,0,0|1,1,0]=4 4730 B12R2.225 Brc1ccccc1OC2CC2 1P00CLSL [0,1,0,1,0,0|1,0,1]=4 4731 B12R2.225 Fc1ccccc1OC2CC2 1P009WLU [0,1,0,1,0,0|1,0,1]=4 4732 B12R2.225 Nc1ccccc1OC2CC2 1P027YH8 [0,1,0,1,0,0|1,0,1]=4 4733 B12R2.1286 Brc1cccc(c1)OC2CC2 1P003AFO [0,1,0,1,0,0|1,0,1]=4 4734 B12R2.1286 Nc1cccc(c1)OC2CC2 1P028O99 [0,1,0,1,0,0|1,0,1]=4 4735 B12R2.1286 Oc1cccc(c1)OC2CC2 1P00CIRZ [0,1,0,1,0,0|1,0,1]=4 4736 B8R1.8 CCOc1cccs1 1P01HY7F [1,0,0,0,1,0|1,0,1]=4 4737 B8R1.8 CCOc1cscc1 1P000BFR [1,0,0,0,1,0|1,0,1]=4 4738 B8R1.8 O=CCc1cccs1 1P00AD6S [1,0,0,0,1,0|2,0,0]=4 4739 B8R1.8 O=CCc1cscc1 1P000FCN [1,0,0,0,1,0|2,0,0]=4 4740 B8R1.7 CC(=C)c1ccco1 1P01DDLR [0,0,0,0,2,0|2,0,0]=4 4741 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [0,0,0,0,2,0|0,0,1]=3 4742 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000X4S [0,0,0,0,2,0|0,0,1]=3 4743 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000XD8 [0,0,0,0,2,0|0,0,1]=3 4744 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [0,0,0,0,2,0|1,0,0]=3 4745 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [0,0,0,0,2,0|2,0,0]=4 4746 B8R1.7 CC(=O)c1c[nH]nc1 1P002QO6 [0,0,0,0,2,0|2,0,0]=4 4747 B8R1.7 CC(=O)c1c[nH]nc1 1P01BHYR [0,0,0,0,2,0|2,0,0]=4 4748 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [0,0,0,0,2,0|1,0,0]=3 4749 B8R1.7 CC(=O)c1ccco1 1P000IT2 [0,0,0,0,2,0|1,0,0]=3 4750 B8R1.7 CC(=O)c1cccs1 1P0035MZ [0,0,0,0,2,0|1,0,0]=3 4751 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [0,0,0,0,2,0|2,0,0]=4 4752 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [0,0,0,0,2,0|2,0,0]=4 4753 B8R1.7 CC(=O)c1ccno1 1P0049B3 [0,0,0,0,2,0|2,0,0]=4 4754 B8R1.7 CC(=O)c1ccns1 1P00C067 [0,0,0,0,2,0|2,0,0]=4 4755 B8R1.7 CC(=O)c1ccon1 1P00490X [0,0,0,0,2,0|2,0,0]=4 4756 B8R1.7 CC(=O)c1ccsn1 1P00H14V [0,0,0,0,2,0|2,0,0]=4 4757 B8R1.7 CC(=O)c1cnco1 1P009KIG [0,0,0,0,2,0|2,0,0]=4 4758 B8R1.7 CC(=O)c1cncs1 1P00GT31 [0,0,0,0,2,0|2,0,0]=4 4759 B8R1.7 CC(=O)c1cocc1 1P009E7F [0,0,0,0,2,0|1,0,0]=3 4760 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [0,0,0,0,2,0|2,0,0]=4 4761 B8R1.7 CC(=O)c1cscc1 1P001ETA [0,0,0,0,2,0|1,0,0]=3 4762 B8R1.7 CC(=O)c1cscn1 1P007BLA [0,0,0,0,2,0|2,0,0]=4 4763 B8R1.7 CC(=O)c1ncc[nH]1 1P00D9MM [0,0,0,0,2,0|2,0,0]=4 4764 B8R1.7 CC(=O)c1ncc[nH]1 1P01BDZZ [0,0,0,0,2,0|2,0,0]=4 4765 B8R1.7 CC(=O)c1ncco1 1P005DFY [0,0,0,0,2,0|2,0,0]=4 4766 B8R1.7 CC(=O)c1nccs1 1P003D8V [0,0,0,0,2,0|2,0,0]=4 4767 B8R1.7 CC(=O)n1cccn1 1P0006NK [0,0,0,0,2,0|2,0,0]=4 4768 B8R1.7 CC(=O)n1cncc1 1P002PG2 [0,0,0,0,2,0|2,0,0]=4 4769 B8R1.7 ClC(=O)c1ccc[nH]1 1P01I097 [0,0,0,0,2,0|2,0,0]=4 4770 B8R1.7 ClC(=O)c1cccs1 1P003BQI [0,0,0,0,2,0|2,0,0]=4 4771 B8R1.7 ClC(=O)c1cocc1 1P002SR8 [0,0,0,0,2,0|2,0,0]=4 4772 B8R1.7 ClC(=O)c1cscc1 1P00IL11 [0,0,0,0,2,0|2,0,0]=4 4773 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [0,0,0,0,2,0|2,0,0]=4 4774 B8R1.7 NC(=O)c1ccco1 1P003HT3 [0,0,0,0,2,0|2,0,0]=4 4775 B8R1.7 NC(=O)c1cocc1 1P00EFS9 [0,0,0,0,2,0|2,0,0]=4 4776 B8R1.7 NC(=O)c1cscc1 1P003V9E [0,0,0,0,2,0|2,0,0]=4 4777 B8R1.7 OC(=O)[C-]1C=CC=C1 1P000X4X [0,0,0,0,2,0|1,0,1]=4 4778 B8R1.7 OC(=O)[C-]1C=CC=C1 1P000ZJ9 [0,0,0,0,2,0|1,0,1]=4 4779 B8R1.7 OC(=O)c1c[nH]cc1 1P003UJU [0,0,0,0,2,0|2,0,0]=4 4780 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [0,0,0,0,2,0|2,0,0]=4 4781 B8R1.7 OC(=O)c1cccs1 1P003IEW [0,0,0,0,2,0|2,0,0]=4 4782 B8R1.7 OC(=O)c1cocc1 1P00346H [0,0,0,0,2,0|2,0,0]=4 4783 B8R1.7 OC(=O)c1cscc1 1P00348Y [0,0,0,0,2,0|2,0,0]=4 4784 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [0,0,0,0,2,0|2,0,0]=4 4785 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [0,0,0,0,2,0|2,0,0]=4 4786 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [0,0,0,0,2,0|2,0,0]=4 4787 B12R1.252 BrC(=C)COCc1ccccc1 1P008MC1 [0,0,0,0,0,2|1,0,1]=4 4788 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [0,0,0,0,0,2|2,0,0]=4 4789 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [0,0,0,0,0,2|2,0,0]=4 4790 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [0,0,0,0,0,2|1,0,0]=3 4791 B12R1.252 CC(=O)C=CSc1ccccc1 1P006LAB [0,0,0,0,0,2|0,1,0]=3 4792 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [0,0,0,0,0,2|1,0,0]=3 4793 B12R1.252 CC(=O)CCCc1cccnc1 1P01C247 [0,0,0,0,0,2|2,0,0]=4 4794 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [0,0,0,0,0,2|1,0,0]=3 4795 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [0,0,0,0,0,2|0,0,0]=2 4796 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [0,0,0,0,0,2|1,0,0]=3 4797 B12R1.252 CC(=O)NCCc1ccncc1 1P0063BR [0,0,0,0,0,2|2,0,0]=4 4798 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [0,0,0,0,0,2|0,0,0]=2 4799 B12R1.252 CC(CCOc1ccccc1)Br 1P028JQH [0,0,0,0,0,2|1,0,1]=4 4800 B12R1.252 CC(CCOc1ccccc1)C 1P019PLP [0,0,0,0,0,2|1,0,1]=4 4801 B12R1.252 CC(CCOc1ccccc1)N 1P0293LA [0,0,0,0,0,2|1,0,1]=4 4802 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [0,0,0,0,0,2|1,0,1]=4 4803 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [0,0,0,0,0,2|1,0,1]=4 4804 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [0,0,0,0,0,2|0,0,2]=4 4805 B12R1.252 CN(CCOc1ccccc1)C 1P0080C8 [0,0,0,0,0,2|2,0,0]=4 4806 B12R1.252 C[C@@H](CCOc1ccccc1)N 1P0293Q3 [0,0,0,0,0,2|1,0,1]=4 4807 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [0,0,0,0,0,2|1,0,1]=4 4808 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [0,0,0,0,0,2|0,0,2]=4 4809 B12R1.252 C[C@H](CCOc1ccccc1)N 1P027TZ6 [0,0,0,0,0,2|1,0,1]=4 4810 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [0,0,0,0,0,2|1,0,1]=4 4811 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [0,0,0,0,0,2|0,0,2]=4 4812 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [0,0,0,0,0,2|2,0,0]=4 4813 B12R1.252 ClC(=O)CCOc1ccccc1 1P00CF5O [0,0,0,0,0,2|1,0,0]=3 4814 B12R1.252 ClC(=O)COCc1ccccc1 1P002BQR [0,0,0,0,0,2|1,0,0]=3 4815 B12R1.252 ClC(=O)OCCc1ccccc1 1P01ALYN [0,0,0,0,0,2|1,0,0]=3 4816 B12R1.252 FC(=COCc1ccccc1)F 1P028VSQ [0,0,0,0,0,2|2,0,0]=4 4817 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [0,0,0,0,0,2|2,0,0]=4 4818 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [0,0,0,0,0,2|2,0,0]=4 4819 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [0,0,0,0,0,2|2,0,0]=4 4820 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [0,0,0,0,0,2|1,0,0]=3 4821 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [0,0,0,0,0,2|2,0,0]=4 4822 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [0,0,0,0,0,2|1,0,0]=3 4823 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [0,0,0,0,0,2|1,1,0]=4 4824 B12R1.252 OC(=O)C=CSc1ccccc1 1P005I79 [0,0,0,0,0,2|1,1,0]=4 4825 B12R1.252 OC(=O)CC#Cc1ccccc1 1P01A0H8 [0,0,0,0,0,2|2,0,0]=4 4826 B12R1.252 OC(=O)CC=Cc1ccccc1 1P00389C [0,0,0,0,0,2|2,0,0]=4 4827 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [0,0,0,0,0,2|2,0,0]=4 4828 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [0,0,0,0,0,2|2,0,0]=4 4829 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [0,0,0,0,0,2|1,0,0]=3 4830 B12R1.252 OC(=O)CCOc1cccnc1 1P01A94G [0,0,0,0,0,2|2,0,0]=4 4831 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [0,0,0,0,0,2|1,1,0]=4 4832 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [0,0,0,0,0,2|2,0,0]=4 4833 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [0,0,0,0,0,2|2,0,0]=4 4834 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [0,0,0,0,0,2|1,0,0]=3 4835 B12R1.252 OC(=O)COCc1ccccn1 1P01BBSG [0,0,0,0,0,2|2,0,0]=4 4836 B12R1.252 OC(=O)COCc1cccnc1 1P01BBMF [0,0,0,0,0,2|2,0,0]=4 4837 B12R1.252 OC(=O)COCc1ccncc1 1P000DSM [0,0,0,0,0,2|2,0,0]=4 4838 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [0,0,0,0,0,2|1,1,0]=4 4839 B12R1.252 OC(=O)C\C=C\c1ccccc1 1P002FOF [0,0,0,0,0,2|2,0,0]=4 4840 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [0,0,0,0,0,2|2,0,0]=4