0 B13R2.10 CC1COC(O1)c2ccccc2 TS42733 [0,0,0,0,0,0|0,0,0]=0 1 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 TS42185 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 TS42441 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.10 c1ccc(cc1)C2CN=C(O2)N TS11560 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 c1ccc(cc1)C2CNC(=O)O2 TS11695 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 c1ccc(cc1)C2N=CC(=O)O2 TS42284 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.2 c1cc(cnc1)C2CCCN2 TS55881 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2 c1ccc(cc1)C2=CCCC2 TS07010 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.2 c1ccc(cc1)C2=NCCN2 TS40432 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.2 c1ccc(cc1)C2CCCC2 TS07262 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.2 c1ccc(cc1)C2CCCN2 TS65643 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.2 c1ccc(cc1)C2CCCO2 TS86553 [1,0,0,0,0,0|1,0,0]=2 12 B12R2.2 c1ccc(cc1)C2CCNC2 TS02878 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.2 c1ccc(cc1)C2CCNC2 TS48496 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.2 c1ccc(cc1)C2NCCS2 TS12086 [1,0,0,0,0,0|1,1,0]=3 15 B12R2.2 c1ccc(cc1)C2OCCO2 TS09861 [1,0,0,0,0,0|0,0,0]=1 16 B12R2.2 c1ccc(cc1)N2CCCC2 TS40567 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 TS15212 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.2 c1ccc(cc1)[S+]2CCCC2 TS60856 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.2 c1ccnc(c1)C2CCCN2 TS40681 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.2 c1ccnc(c1)C2NCCS2 TS12283 [1,0,0,0,0,0|2,1,0]=4 21 B12R2.2 c1cnccc1C2CCCN2 TS03187 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.20 CC1COC(O1)c2ccc(cc2)Br TS57810 [0,1,0,0,0,0|0,0,0]=1 23 B14R2.20 c1cc(ccc1C2CCC(=O)O2)F TS14567 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.260 CC1C(=O)OC(=N1)c2ccccc2 TS45942 [0,1,0,0,0,0|1,0,2]=4 25 B14R2.403 CC1(COC(=N1)c2ccccc2)C TS45977 [0,1,0,0,0,0|1,0,1]=3 26 B14R2.403 CC1(COC(=N1)c2cccnc2)C TS46131 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.598 CC1CC(=O)N(N1)c2ccccc2 TS13878 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.3 CCCC(C#N)c1ccccc1 TS42075 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.27 CC(CCc1ccccc1)[N+]#[C-] TS42077 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,0,1,0,0,0|1,0,0]=2 31 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,0,1,0,0,0|1,0,0]=2 33 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,0,1,0,0,0|2,0,1]=4 34 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,0,1,0,0,0|2,0,1]=4 36 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,0,1,0,0,0|1,0,1]=3 39 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,0,1,0,0,0|1,1,1]=4 40 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [0,0,1,0,0,0|2,0,1]=4 41 B12R1.27 c1ccc(cc1)OCC(CO)O TS44861 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [0,0,1,0,0,0|1,0,2]=4 43 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [0,0,1,0,0,0|1,0,2]=4 44 B12R1.30 CCCCC(c1ccccc1)O TS42804 [0,0,1,0,0,0|1,0,0]=2 45 B12R1.30 CCCCN(c1ccccc1)N TS11936 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [0,0,1,0,0,0|0,0,2]=3 47 B12R1.30 CCNCC(C)c1ccccc1 TS11759 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.30 CNCCC(c1ccccc1)Cl TS22708 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.30 CNCCC(c1ccccc1)O TS00158 [0,0,1,0,0,0|2,0,0]=3 50 B12R1.30 CNCC[C@H](c1ccccc1)O TS94530 [0,0,1,0,0,0|2,0,0]=3 51 B12R1.30 C[C@@H](c1ccccc1)NCCO TS12067 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.30 C[C@H](c1ccccc1)NCCO TS46579 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.30 c1ccc(cc1)C(=O)OCCBr TS55166 [0,0,1,0,0,0|1,0,2]=4 54 B12R1.30 c1ccc(cc1)C(=O)OCCCl TS15372 [0,0,1,0,0,0|1,0,2]=4 55 B12R1.30 c1ccc(cc1)C(=O)OCCI TS31073 [0,0,1,0,0,0|1,0,2]=4 56 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,0,1,0,0,0|2,0,0]=3 57 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [0,0,1,0,0,0|2,0,1]=4 58 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [0,0,1,0,0,0|0,0,2]=3 59 B12R1.107 CC(C)OC(=O)c1cccnc1 TS42894 [0,0,1,0,0,0|1,0,2]=4 60 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,0,1,0,0,0|2,0,1]=4 61 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,0,1,0,0,0|2,0,0]=3 62 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,0,1,0,0,0|2,0,0]=3 63 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,0,1,0,0,0|2,0,0]=3 64 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [0,0,1,0,0,0|0,1,2]=4 65 B12R1.252 CC(CCCc1ccccc1)F TS12271 [0,0,1,0,0,0|2,0,0]=3 66 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [0,0,1,0,0,0|0,0,0]=1 67 B12R1.252 C[C@H](CCCc1cccnc1)N TS11933 [0,0,1,0,0,0|3,0,0]=4 68 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [0,0,1,0,0,0|0,0,0]=1 69 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [0,0,1,0,0,0|1,0,2]=4 70 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [0,0,1,0,0,0|1,0,1]=3 71 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [0,0,1,0,0,0|1,1,1]=4 72 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [0,0,0,0,1,0|2,0,1]=4 73 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [0,0,0,0,1,0|2,0,1]=4 74 B12R2.22 c1ccc(cc1)N2CC(C2)O TS92510 [0,0,0,0,1,0|3,0,0]=4 75 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N TS92833 [0,0,0,0,1,0|2,0,0]=3 76 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS87812 [0,0,0,0,1,0|2,0,0]=3 77 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS92597 [0,0,0,0,1,0|2,0,0]=3 78 B14R2.21 CN1CCNC(C1)c2ccccc2 TS46994 [0,0,0,0,0,1|3,0,0]=4 79 B14R2.21 CN1CCN[C@H](C1)c2ccccc2 TS46175 [0,0,0,0,0,1|3,0,0]=4 80 B14R2.68 c1ccc(cc1)C2CCC(CC2)N TS09770 [0,0,0,0,0,1|3,0,0]=4 81 B14R2.68 c1ccc(cc1)C2OCC(CO2)O TS29488 [0,0,0,0,0,1|1,0,0]=2 82 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 TS14025 [0,0,0,0,0,1|2,0,1]=4 83 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 TS14026 [0,0,0,0,0,1|2,0,1]=4 84 B11R1.12 B(c1ccccn1)(OC)OC TS40960 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.12 CCC(=CC)c1ccccc1 TS40463 [1,0,1,0,0,0|1,0,1]=4 86 B11R1.12 CCC(C#N)c1ccccc1 TS07127 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.12 CCC(C=C)c1ccccc1 TS40461 [1,0,1,0,0,0|1,0,1]=4 88 B11R1.12 CCC(CC)c1ccccc1 TS07502 [1,0,1,0,0,0|1,0,0]=3 89 B11R1.12 CCC(CC)c1ccccn1 TS40770 [1,0,1,0,0,0|2,0,0]=4 90 B11R1.12 CCC(CC)c1ccncc1 TS07595 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.12 CCN(CC)c1ccccc1 TS07596 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.12 CCN(CC)c1ccccc1 TS11655 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.12 CCN(CC)c1ccccc1 TS15545 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.12 CCP(CC)c1ccccc1 TS43095 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.12 COC(c1ccccc1)OC TS33210 [1,0,1,0,0,0|0,0,0]=2 96 B11R1.12 COC(c1ccncn1)OC TS10424 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.12 COP(c1ccccc1)OC TS45093 [1,0,1,0,0,0|1,0,0]=3 98 B11R1.12 CO[C@@H](CO)c1ccccc1 TS41139 [1,0,1,0,0,0|1,0,0]=3 99 B11R1.12 CO[C@H](CO)c1ccccc1 TS10190 [1,0,1,0,0,0|1,0,0]=3 100 B11R1.16 C#CCC(c1ccccc1)O TS07216 [1,0,1,0,0,0|0,0,2]=4 101 B11R1.16 C=CCC(c1ccccc1)O TS07476 [1,0,1,0,0,0|0,0,2]=4 102 B11R1.16 CC(CCO)c1ccccc1 TS40913 [1,0,1,0,0,0|2,0,0]=4 103 B11R1.16 CC(CNC)c1ccccc1 TS15544 [1,0,1,0,0,0|2,0,0]=4 104 B11R1.16 CC=CC(c1ccccc1)O TS07464 [1,0,1,0,0,0|0,0,2]=4 105 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [1,0,1,0,0,0|1,0,1]=4 106 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [1,0,1,0,0,0|1,0,1]=4 107 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [1,0,1,0,0,0|0,0,2]=4 108 B11R1.16 CCCC(C)c1ccccc1 TS40687 [1,0,1,0,0,0|1,0,0]=3 109 B11R1.16 CCCC(c1ccccc1)N TS08991 [1,0,1,0,0,0|1,0,0]=3 110 B11R1.16 CCCC(c1ccccc1)O TS40897 [1,0,1,0,0,0|0,0,0]=2 111 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [1,0,1,0,0,0|1,0,0]=3 112 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [1,0,1,0,0,0|0,0,0]=2 113 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [1,0,1,0,0,0|1,0,0]=3 114 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [1,0,1,0,0,0|0,0,0]=2 115 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [1,0,1,0,0,0|0,0,2]=4 117 B11R1.16 CNCC(c1ccccc1)O TS41049 [1,0,1,0,0,0|1,0,0]=3 118 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [1,0,1,0,0,0|1,0,1]=4 121 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [1,0,1,0,0,0|1,0,0]=3 122 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [1,0,1,0,0,0|1,0,0]=3 123 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [1,0,1,0,0,0|1,0,0]=3 125 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [1,0,1,0,0,0|1,0,0]=3 126 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [1,0,1,0,0,0|1,0,0]=3 129 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [1,0,1,0,0,0|1,0,0]=3 130 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [1,0,1,0,0,0|1,0,0]=3 131 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [1,0,1,0,0,0|1,0,0]=3 133 B11R1.28 C#CCOCc1ccccc1 TS07224 [1,0,1,0,0,0|0,0,2]=4 134 B11R1.28 C=CCOCc1ccccc1 TS07459 [1,0,1,0,0,0|0,0,2]=4 135 B11R1.28 CCCC#Cc1ccccc1 TS07004 [1,0,1,0,0,0|1,0,1]=4 136 B11R1.28 CCCC=Cc1ccccc1 TS07261 [1,0,1,0,0,0|1,0,1]=4 137 B11R1.28 CCCCCc1ccccc1 TS07508 [1,0,1,0,0,0|1,0,0]=3 138 B11R1.28 CCCCCc1ccccn1 TS07608 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.28 CCCCNc1ccccc1 TS07616 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.28 CCCCOc1ccccc1 TS40903 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.28 CCCNCc1ccccc1 TS40768 [1,0,1,0,0,0|1,0,0]=3 142 B11R1.28 CNCCCc1ccccc1 TS07594 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.28 c1ccc(cc1)CCCCN TS40769 [1,0,1,0,0,0|2,0,0]=4 145 B11R1.28 c1ccc(cc1)CCCCO TS09769 [1,0,1,0,0,0|1,0,0]=3 146 B11R1.28 c1ccc(cc1)CNCCCl TS38930 [1,0,1,0,0,0|2,0,0]=4 147 B11R1.28 c1ccc(cc1)CNCCN TS09934 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.28 c1ccc(cc1)COCC=O TS40846 [1,0,1,0,0,0|0,0,2]=4 149 B11R1.28 c1ccc(cc1)COCCBr TS01375 [1,0,1,0,0,0|1,0,0]=3 150 B11R1.28 c1ccc(cc1)COCCCl TS45252 [1,0,1,0,0,0|1,0,0]=3 151 B11R1.28 c1ccc(cc1)COCCN TS50637 [1,0,1,0,0,0|1,0,0]=3 152 B11R1.28 c1ccc(cc1)COCCO TS59944 [1,0,1,0,0,0|0,0,0]=2 153 B11R1.28 c1ccc(cc1)COCON TS41272 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.28 c1ccc(cc1)CSCCCl TS15745 [1,0,1,0,0,0|1,1,0]=4 155 B11R1.28 c1ccc(cc1)CSCCN TS19660 [1,0,1,0,0,0|1,1,0]=4 156 B11R1.28 c1ccc(cc1)CSCCO TS44906 [1,0,1,0,0,0|0,1,0]=3 157 B11R1.28 c1ccc(cc1)OCCCO TS41131 [1,0,1,0,0,0|2,0,0]=4 158 B11R1.28 c1cnccc1CSCCO TS12707 [1,0,1,0,0,0|1,1,0]=4 159 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,0,1,0,0,0|0,0,2]=4 160 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,0,1,0,0,0|0,0,2]=4 161 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [1,0,1,0,0,0|1,0,1]=4 162 B11R1.91 CC(C)CCc1ccccc1 TS40689 [1,0,1,0,0,0|1,0,0]=3 163 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [1,0,1,0,0,0|1,0,1]=4 164 B11R1.91 CC(C)NCc1ccccc1 TS33065 [1,0,1,0,0,0|1,0,0]=3 165 B11R1.91 CC(CCc1ccccc1)N TS40782 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.91 CC(CCc1ccccc1)O TS09764 [1,0,1,0,0,0|1,0,0]=3 167 B11R1.91 CN(C)CCc1ccccc1 TS01931 [1,0,1,0,0,0|2,0,0]=4 168 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [1,0,1,0,0,0|2,0,0]=4 170 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [1,0,1,0,0,0|1,1,0]=4 171 B13R1.398 CCOC(c1ccccc1)OCC TS47953 [0,1,1,0,0,0|0,0,0]=2 172 B13R1.398 CCOP(c1ccccc1)OCC TS18593 [0,1,1,0,0,0|1,0,0]=3 173 B13R1.398 CCO[SiH](c1ccccc1)OCC TS53730 [0,1,1,0,0,0|0,1,0]=3 174 B13R1.11 CCC(C)OC(=O)c1ccccc1 TS14249 [0,1,1,0,0,0|1,0,1]=4 175 B13R1.254 CCC(C)(CCc1ccccc1)O TS14279 [0,1,1,0,0,0|2,0,0]=4 176 B13R1.351 CC(C(=O)OCc1ccccc1)O TS47922 [0,1,1,0,0,0|1,0,1]=4 177 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)O TS47888 [0,1,1,0,0,0|1,0,1]=4 178 B13R1.351 C[C@H](C(=O)OCc1ccccc1)O TS47910 [0,1,1,0,0,0|1,0,1]=4 179 B13R1.417 C=C[C@@H](CI)OCc1ccccc1 TS35115 [0,1,1,0,0,0|1,0,1]=4 180 B13R1.417 CC[C@@H](CO)NCc1ccccc1 TS47775 [0,1,1,0,0,0|1,0,0]=3 181 B13R1.417 CC[C@H](CO)NCc1ccccc1 TS14461 [0,1,1,0,0,0|1,0,0]=3 182 B13R1.417 c1ccc(cc1)CO[C@@H](CO)C=O TS14595 [0,1,1,0,0,0|0,0,1]=3 183 B13R1.17 CCCOC(=O)c1ccc(cc1)N TS47727 [0,1,1,0,0,0|0,0,2]=4 184 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS14591 [0,1,1,0,0,0|0,0,2]=4 185 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS38227 [0,1,1,0,0,0|0,0,2]=4 186 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS49461 [0,1,1,0,0,0|0,0,2]=4 187 B13R1.18 CCNCC(c1cccc(c1)O)O TS22296 [0,1,1,0,0,0|2,0,0]=4 188 B13R1.24 CC(c1ccccc1)NCCCN TS47611 [0,1,1,0,0,0|2,0,0]=4 189 B13R1.24 CCCCNC(C)c1ccccc1 TS14096 [0,1,1,0,0,0|2,0,0]=4 190 B13R1.24 CCCCOC(=O)c1ccccc1 TS47566 [0,1,1,0,0,0|0,0,2]=4 191 B13R1.45 CC(C)COC(=O)c1ccccc1 TS47554 [0,1,1,0,0,0|0,0,2]=4 192 B13R1.45 CC(C)NCC(c1ccccc1)O TS21946 [0,1,1,0,0,0|2,0,0]=4 193 B13R1.45 CN(C)CCC(c1ccccc1)O TS14460 [0,1,1,0,0,0|2,0,0]=4 194 B13R1.47 CCOC(=O)C(c1ccccc1)O TS47901 [0,1,1,0,0,0|2,0,0]=4 195 B13R1.47 CCOC(=O)[C@H](c1ccccc1)O TS14593 [0,1,1,0,0,0|2,0,0]=4 196 B13R1.47 COC[C@@H]([C@H](c1ccccc1)O)N TS48117 [0,1,1,0,0,0|2,0,0]=4 197 B13R1.674 CCCOC(=O)c1ccccc1O TS14609 [0,1,1,0,0,0|0,0,2]=4 198 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N TS14434 [0,1,1,0,0,0|0,0,2]=4 199 B13R1.132 CC(C)OC(=O)c1ccc(cc1)O TS47897 [0,1,1,0,0,0|0,0,2]=4 200 B13R1.152 C[C@@H]([C@H](c1ccccc1)O)N(C)C TS14453 [0,1,1,0,0,0|2,0,0]=4 201 B13R1.152 C[C@H]([C@H](c1ccccc1)O)N(C)C TS14449 [0,1,1,0,0,0|2,0,0]=4 202 B13R1.201 CC(C)OC(=O)c1ccccc1Br TS26968 [0,1,1,0,0,0|0,0,2]=4 203 B13R1.201 CC(C)OC(=O)c1ccccc1N TS14421 [0,1,1,0,0,0|0,0,2]=4 204 B13R1.348 CC(C)CC(=O)Cc1ccccc1 TS13901 [0,1,1,0,0,0|2,0,0]=4 205 B13R1.348 CC(C)CC(Cc1ccccc1)O TS14271 [0,1,1,0,0,0|2,0,0]=4 206 B13R1.718 C#C[C@@H](COCc1ccccc1)O TS46108 [0,1,1,0,0,0|0,0,1]=3 207 B13R1.718 CC(CO)COCc1ccccc1 TS47950 [0,1,1,0,0,0|0,0,0]=2 208 B13R1.718 CC[C@H](COCc1ccccc1)N TS14450 [0,1,1,0,0,0|1,0,0]=3 209 B13R1.718 CC[C@H](COCc1ccccc1)O TS14645 [0,1,1,0,0,0|0,0,0]=2 210 B13R1.718 c1ccc(cc1)COCC(CCl)O TS38009 [0,1,1,0,0,0|0,0,0]=2 211 B13R1.718 c1ccc(cc1)COCC(CN)O TS14812 [0,1,1,0,0,0|0,0,0]=2 212 B13R1.718 c1ccc(cc1)COC[C@H](CO)N TS22298 [0,1,1,0,0,0|1,0,0]=3 213 B13R1.718 c1ccc(cc1)COC[C@H](CO)O TS48265 [0,1,1,0,0,0|0,0,0]=2 214 B13R1.718 c1ccc(cc1)CSC[C@@H](CO)N TS18487 [0,1,1,0,0,0|1,1,0]=4 215 B13R2.12 Cc1ccc(cc1)C2CCCN2 TS47072 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.12 c1c(cnc(n1)C2OCCO2)Br TS92538 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.12 c1cc(ccc1C2=NCCO2)Br TS24111 [1,1,0,0,0,0|1,0,1]=4 218 B13R2.12 c1cc(ccc1C2CCCN2)Br TS16462 [1,1,0,0,0,0|2,0,0]=4 219 B13R2.12 c1cc(ccc1C2CCCN2)Cl TS16466 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.12 c1cc(ccc1C2CCCN2)F TS47062 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.12 c1cc(ccc1C2OCCO2)Br TS52791 [1,1,0,0,0,0|0,0,0]=2 222 B13R2.12 c1cc(ccc1C2SCCS2)O TS18705 [1,1,0,0,0,0|0,2,0]=4 223 B13R2.12 c1cc(ccc1[C@@H]2CCCN2)F TS42910 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.12 c1cc(ccc1[C@H]2CCCN2)F TS12050 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.13 Cc1cccc(c1)C2CCCN2 TS47057 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.13 Cc1cccc(n1)C2OCCO2 TS12007 [1,1,0,0,0,0|1,0,0]=3 227 B13R2.13 c1cc(cc(c1)Br)C2CCCN2 TS47052 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.13 c1cc(cc(c1)Br)C2OCCO2 TS47049 [1,1,0,0,0,0|0,0,0]=2 229 B13R2.13 c1cc(cc(c1)Cl)C2CCCN2 TS65674 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.13 c1cc(cc(c1)F)C2CCCN2 TS47054 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.13 c1cc(cc(c1)N)C2OCCO2 TS42900 [1,1,0,0,0,0|0,0,0]=2 232 B13R2.18 c1ccc(c(c1)C2CCCN2)Br TS47046 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.18 c1ccc(c(c1)C2CCCN2)Cl TS08218 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.18 c1ccc(c(c1)C2OCCO2)Br TS47044 [1,1,0,0,0,0|0,0,0]=2 235 B13R2.223 c1ccc(cc1)C2(CCCC2)N TS42350 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.223 c1ccc(cc1)C2(CCCC2)O TS11599 [1,1,0,0,0,0|2,0,0]=4 237 B15R2.15 c1ccc(cc1)CC2OCC(O2)CO TS51832 [0,1,0,0,0,1|0,0,0]=2 238 B15R2.297 CC1COC(O1)C(C)c2ccccc2 TS51496 [0,1,0,0,0,1|0,0,0]=2 239 B15R2.7532 CC1(COC(=N1)Cc2ccccc2)C TS50951 [0,1,0,0,0,1|1,0,1]=4 240 B15R2.17 c1ccc(cc1)C2OCC[C@H](O2)CBr TS29023 [0,1,0,0,0,1|0,0,0]=2 241 B15R2.32 C[C@H]1[C@@H](OCCN1C)c2ccccc2 TS51343 [0,1,0,0,0,1|2,0,0]=4 242 B15R2.32 C[C@H]1[C@@H](OCCN1C)c2ccccc2 TS83114 [0,1,0,0,0,1|2,0,0]=4 243 B15R2.1 CC[C@H]1CC[C@@H](CC1)c2ccccc2 TS50793 [0,1,0,0,0,1|2,0,0]=4 244 B15R2.1 c1ccc(cc1)C2CCC(CC2)CO TS17152 [0,1,0,0,0,1|2,0,0]=4 245 B15R2.467 B1(OCC(CO1)(C)C)c2ccccc2 TS16290 [0,1,0,0,0,1|1,0,0]=3 246 B15R2.467 B1(OCC(CO1)(C)C)c2cccnc2 TS65256 [0,1,0,0,0,1|2,0,0]=4 247 B15R2.66 c1ccc(cc1)C2OC[C@H](O2)CCO TS51841 [0,2,0,0,0,0|0,0,0]=2 248 B15R2.2243 Cc1ccccc1C2OCC(O2)CO TS17855 [0,2,0,0,0,0|0,0,0]=2 249 B15R2.18934 CC1(COC(=N1)c2ccc(cc2)Br)C TS28569 [0,2,0,0,0,0|1,0,1]=4 250 B15R2.315 CC1(OC(C(=O)O1)c2ccccc2)C TS17458 [0,2,0,0,0,0|2,0,0]=4 251 B13R2.3 B1(OCCCO1)c2cccnc2 TS11643 [0,0,1,1,0,0|2,0,0]=4 252 B13R2.3 c1ccc(cc1)C2CCCCC2 TS01405 [0,0,1,1,0,0|2,0,0]=4 253 B13R2.3 c1ccc(cc1)C2CCCCN2 TS42345 [0,0,1,1,0,0|2,0,0]=4 254 B13R2.3 c1ccc(cc1)C2CCOCO2 TS11863 [0,0,1,1,0,0|2,0,0]=4 255 B13R2.3 c1ccc(cc1)C2SCCCS2 TS53747 [0,0,1,1,0,0|0,2,0]=4 256 B13R2.3 c1ccc(cc1)[C@@H]2CCOCO2 TS11865 [0,0,1,1,0,0|2,0,0]=4 257 B13R2.1613 c1ccc2c(c1)CCCC2OO TS42748 [0,0,1,1,0,0|2,0,0]=4 258 B13R2.32 c1ccc2c(c1)CCC(C2O)N TS37812 [0,0,1,1,0,0|2,0,0]=4 259 B13R2.32 c1ccc2c(c1)CC[C@@H]([C@@H]2O)O TS11881 [0,0,1,1,0,0|2,0,0]=4 260 B13R2.57 CCC1CCc2ccccc2C1 TS42212 [0,0,1,1,0,0|2,0,0]=4 261 B13R2.57 c1ccc2c(c1)CC(CO2)CO TS11871 [0,0,1,1,0,0|2,0,0]=4 262 B13R2.57 c1ccc2c(c1)CC(NC2)CN TS11604 [0,0,1,1,0,0|2,0,0]=4 263 B13R2.57 c1ccc2c(c1)CC(NC2)CN TS25706 [0,0,1,1,0,0|2,0,0]=4 264 B13R2.57 c1ccc2c(c1)CCC(C2)CN TS42347 [0,0,1,1,0,0|2,0,0]=4 265 B13R2.57 c1ccc2c(c1)C[C@H](NC2)CN TS42497 [0,0,1,1,0,0|2,0,0]=4 266 B13R2.98 C[C@@]1([C@@H](O1)c2ccccc2)CO TS11879 [0,0,1,1,0,0|0,0,0]=2 267 B13R2.371 CC1CCC(c2c1cccc2)C TS42208 [0,0,1,1,0,0|2,0,0]=4 268 B13R2.12159 B1(c2ccccc2C(O1)(C)C)O TS11467 [0,0,1,1,0,0|1,0,0]=3 269 B13R2.12159 CC1(CC(c2c1cccc2)O)C TS11585 [0,0,1,1,0,0|1,0,0]=3 270 B13R2.31 c1ccc(cc1)CN2CC(C2)O TS46863 [0,0,1,1,0,0|1,0,0]=3 271 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 TS01683 [0,0,1,1,0,0|0,0,0]=2 272 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 TS59666 [0,0,1,1,0,0|0,0,0]=2 273 B13R2.3122 CC1(CNCc2c1cccc2)C TS09560 [0,0,1,1,0,0|2,0,0]=4 274 B13R3.1962 c1ccc2c(c1)C3C=CC2O3 TS01992 [1,0,0,1,0,0|1,0,1]=4 275 B13R3.1962 c1ccc2c(c1)C3CCC2O3 TS07214 [1,0,0,1,0,0|1,0,0]=3 276 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,0,1,0,1,0|0,0,2]=4 277 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,0,1,0,1,0|1,0,1]=4 278 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,0,1,0,1,0|0,0,0]=2 279 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,0,1,0,1,0|0,0,2]=4 280 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,0,1,0,1,0|2,0,0]=4 281 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,0,1,0,1,0|1,0,0]=3 282 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,0,1,0,1,0|2,0,0]=4 283 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,0,1,0,1,0|2,0,0]=4 284 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,0,1,0,1,0|2,0,0]=4 285 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,0,1,0,1,0|2,0,0]=4 286 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,0,1,0,1,0|1,0,0]=3 287 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,0,1,0,1,0|0,0,2]=4 288 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,0,1,0,1,0|0,0,2]=4 289 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,0,1,0,1,0|1,0,0]=3 290 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,0,1,0,1,0|1,0,0]=3 291 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,0,1,0,1,0|0,0,0]=2 292 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,0,1,0,1,0|0,0,0]=2 293 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,0,1,0,1,0|0,0,0]=2 294 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,0,1,0,1,0|2,0,0]=4 295 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,0,1,0,1,0|2,0,0]=4 296 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,0,1,0,1,0|1,0,0]=3 297 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,0,1,0,1,0|1,0,0]=3 298 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,0,1,0,1,0|1,0,0]=3 299 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,0,1,0,1,0|2,0,0]=4 300 B11R2.2 c1cc(sc1)C2OCCO2 TS10690 [1,0,0,0,1,0|1,0,0]=3 301 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [1,0,0,0,1,0|1,0,0]=3 302 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,0,0,0,2,0|0,0,0]=2 303 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,0,0,2,0|0,0,0]=2 304 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,0,0,2,0|0,0,0]=2 305 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [0,0,0,0,2,0|1,0,0]=3 306 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [0,0,0,0,2,0|1,0,0]=3 307 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [0,0,0,0,2,0|1,0,0]=3 308 B13R1.44 CCCOC(=O)Cc1ccccc1 TS14219 [0,0,1,0,0,1|0,0,2]=4 309 B13R1.337 CC(=O)CCOCc1ccccc1 TS14240 [0,0,1,0,0,1|0,0,2]=4 310 B13R1.337 CC(C)CCOCc1ccccc1 TS14277 [0,0,1,0,0,1|1,0,0]=3 311 B13R2.64 c1ccc(cc1)CC2CCCN2 TS42354 [1,0,0,0,0,1|2,0,0]=4 312 B13R2.64 c1ccc(cc1)CC2OCCO2 TS11891 [1,0,0,0,0,1|0,0,0]=2