0 B21R2.415 C#CCCOC(Cc1ccccc1)c2cccc(c2)Cl 34a_200000373148_100000688953 [0,1,0,0,0,1|1,0,1]=4 1 B21R2.415 C#CCCOC(Cc1ccccc1)c2cccc(c2)Cl 7a_200000373148_100000688953 [0,1,0,0,0,1|1,0,1]=4 2 B21R2.415 CC#CCOC(Cc1ccccc1)c2cccc(c2)Cl 34a_200000373148_100000748600 [0,1,0,0,0,1|1,0,1]=4 3 B21R2.415 CC#CCOC(Cc1ccccc1)c2cccc(c2)Cl 7a_200000373148_100000748600 [0,1,0,0,0,1|1,0,1]=4 4 B21R2.415 COCCOC(Cc1ccccc1)c2cccc(c2)Cl 34a_200000373148_100011201679 [0,1,0,0,0,1|1,0,0]=3 5 B21R2.415 COCCOC(Cc1ccccc1)c2cccc(c2)Cl 7a_200000373148_100000233755 [0,1,0,0,0,1|1,0,0]=3 6 B21R2.415 N#CCCOC(Cc1ccccc1)c2cccc(c2)Cl 7a_200000373148_100000184422 [0,1,0,0,0,1|2,0,0]=4 7 B21R2.415 OCCCOC(Cc1ccccc1)c2cccc(c2)Cl 34a_200000373148_100000230001 [0,1,0,0,0,1|2,0,0]=4 8 B21R2.415 OCCCOC(Cc1ccccc1)c2cccc(c2)Cl 7a_200000373148_100011215043 [0,1,0,0,0,1|2,0,0]=4 9 B21R2.421 CCCCNC(Cc1ccccc1)c2ccc(cc2)F 2230a_103496528834_100000210211 [0,1,0,0,0,1|2,0,0]=4 10 B21R2.421 CCCCNC(Cc1ccccc1)c2ccc(cc2)F 34a_103496528834_100000210210 [0,1,0,0,0,1|2,0,0]=4 11 B21R2.421 COCCNC(Cc1ccccc1)c2ccc(cc2)F 2230a_103496528834_100011201679 [0,1,0,0,0,1|2,0,0]=4 12 B21R2.421 COCCNC(Cc1ccccc1)c2ccc(cc2)F 34a_103496528834_100011201679 [0,1,0,0,0,1|2,0,0]=4 13 B21R2.421 CSCCNC(Cc1ccccc1)c2ccc(cc2)F 2230a_103496528834_100000751147 [0,1,0,0,0,1|2,0,0]=4 14 B21R2.421 CSCCNC(Cc1ccccc1)c2ccc(cc2)F 34a_103496528834_100000212216 [0,1,0,0,0,1|2,0,0]=4 15 B21R2.2388 CCCCNC(Cc1ccc(cc1)C)c2ccccc2 2230a_217856618520_100000210211 [0,1,0,0,0,1|2,0,0]=4 16 B21R2.2388 CCCCNC(Cc1ccc(cc1)C)c2ccccc2 34a_217856618520_100000210210 [0,1,0,0,0,1|2,0,0]=4 17 B21R2.2388 COCCNC(Cc1ccc(cc1)C)c2ccccc2 2230a_217856618520_100011201679 [0,1,0,0,0,1|2,0,0]=4 18 B21R2.2388 COCCNC(Cc1ccc(cc1)C)c2ccccc2 34a_217856618520_100011201679 [0,1,0,0,0,1|2,0,0]=4 19 B21R2.2388 CSCCNC(Cc1ccc(cc1)C)c2ccccc2 2230a_217856618520_100000751147 [0,1,0,0,0,1|2,0,0]=4 20 B21R2.2388 CSCCNC(Cc1ccc(cc1)C)c2ccccc2 34a_217856618520_100000212216 [0,1,0,0,0,1|2,0,0]=4 21 B21R2.2890 C#CCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000695029 [0,1,0,0,0,1|1,0,1]=4 22 B21R2.2890 C#CCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011215417 [0,1,0,0,0,1|1,0,1]=4 23 B21R2.2890 C=CCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000757094 [0,1,0,0,0,1|1,0,1]=4 24 B21R2.2890 C=CCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000757094 [0,1,0,0,0,1|1,0,1]=4 25 B21R2.2890 C=COCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000039644 [0,1,0,0,0,1|1,0,1]=4 26 B21R2.2890 C=COCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000039644 [0,1,0,0,0,1|1,0,1]=4 27 B21R2.2890 CC/C=C\COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100103147603 [0,1,0,0,0,1|1,0,1]=4 28 B21R2.2890 CC/C=C\COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100103147603 [0,1,0,0,0,1|1,0,1]=4 29 B21R2.2890 CCC#CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100009813939 [0,1,0,0,0,1|1,0,1]=4 30 B21R2.2890 CCC#CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100009813939 [0,1,0,0,0,1|1,0,1]=4 31 B21R2.2890 CCCCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210326 [0,1,0,0,0,1|2,0,0]=4 32 B21R2.2890 CCCCOCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100011995733 [0,1,0,0,0,1|2,0,0]=4 33 B21R2.2890 CCCCOCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100011995733 [0,1,0,0,0,1|2,0,0]=4 34 B21R2.2890 CCCCOCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100011995733 [0,1,0,0,0,1|2,0,0]=4 35 B21R2.2890 CCOCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100011215890 [0,1,0,0,0,1|2,0,0]=4 36 B21R2.2890 CCOCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000210147 [0,1,0,0,0,1|1,0,0]=3 37 B21R2.2890 CCOCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011215890 [0,1,0,0,0,1|1,0,0]=3 38 B21R2.2890 CCSCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000757381 [0,1,0,0,0,1|2,0,0]=4 39 B21R2.2890 CCSCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000757381 [0,1,0,0,0,1|1,0,0]=3 40 B21R2.2890 CCSCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000757381 [0,1,0,0,0,1|1,0,0]=3 41 B21R2.2890 COCCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000740836 [0,1,0,0,0,1|2,0,0]=4 42 B21R2.2890 COCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000740836 [0,1,0,0,0,1|1,0,0]=3 43 B21R2.2890 COCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000740836 [0,1,0,0,0,1|1,0,0]=3 44 B21R2.2890 COCCOCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000231047 [0,1,0,0,0,1|2,0,0]=4 45 B21R2.2890 COCCOCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000231047 [0,1,0,0,0,1|2,0,0]=4 46 B21R2.2890 FCCCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000729493 [0,1,0,0,0,1|2,0,0]=4 47 B21R2.2890 FCCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000729493 [0,1,0,0,0,1|1,0,0]=3 48 B21R2.2890 FCCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000729493 [0,1,0,0,0,1|1,0,0]=3 49 B21R2.2890 N#CCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000687738 [0,1,0,0,0,1|1,0,1]=4 50 B21R2.2890 O=CCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_200011292268 [0,1,0,0,0,1|1,0,1]=4 51 B21R2.2890 OCC#CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_200000047223 [0,1,0,0,0,1|1,0,1]=4 52 B21R2.2890 OCC#CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_200000047223 [0,1,0,0,0,1|1,0,1]=4 53 B21R2.2890 OCCCCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210776 [0,1,0,0,0,1|2,0,0]=4 54 B21R2.2890 OCCCCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100011216708 [0,1,0,0,0,1|1,0,0]=3 55 B21R2.2890 OCCCCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000210776 [0,1,0,0,0,1|1,0,0]=3 56 B21R2.3034 CC(CC#N)OC(Cc1ccccc1)c2ccccc2 7a_100000246494_100009813641 [0,1,0,0,0,1|2,0,0]=4 57 B21R2.3034 CC(CCO)OC(Cc1ccccc1)c2ccccc2 34a_100000246494_100009893172 [0,1,0,0,0,1|2,0,0]=4 58 B21R2.3034 CC(CCO)OC(Cc1ccccc1)c2ccccc2 7a_100000246494_100009893172 [0,1,0,0,0,1|2,0,0]=4 59 B21R2.3034 CCCC(C)NC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000766640 [0,1,0,0,0,1|2,0,0]=4 60 B21R2.3034 CCCC(C)NC(Cc1ccccc1)c2ccccc2 270004a_100025772854_100000211909 [0,1,0,0,0,1|2,0,0]=4 61 B21R2.3034 CNCC(=O)NC(Cc1ccccc1)c2ccccc2 2230a_106832991635_100000697283 [0,1,0,0,0,1|1,0,1]=4 62 B21R2.3034 CNCC(=O)NC(Cc1ccccc1)c2ccccc2 7a_106832991635_100000697283 [0,1,0,0,0,1|1,0,1]=4 63 B21R2.3034 COCC(C)NC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000765312 [0,1,0,0,0,1|2,0,0]=4 64 B21R2.3034 COCC(C)NC(Cc1ccccc1)c2ccccc2 270004a_100025772854_100000749346 [0,1,0,0,0,1|2,0,0]=4 65 B21R2.3034 COCC(C)OC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000765312 [0,1,0,0,0,1|1,0,0]=3 66 B21R2.3034 COCC(C)OC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000765312 [0,1,0,0,0,1|1,0,0]=3 67 B21R2.3034 CSCC(C)NC(Cc1ccccc1)c2ccccc2 270004a_100025772854_100011216314 [0,1,0,0,0,1|2,0,0]=4 68 B21R2.12899 C=C(C)CCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000730704 [0,1,0,0,0,1|2,0,0]=4 69 B21R2.12899 C=C(C)CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000730704 [0,1,0,0,0,1|1,0,0]=3 70 B21R2.12899 C=C(C)CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000730704 [0,1,0,0,0,1|1,0,0]=3 71 B21R2.12899 CC(=CCOC(Cc1ccccc1)c2ccccc2)C 34a_100000246494_100000761012 [0,1,0,0,0,1|1,0,1]=4 72 B21R2.12899 CC(=CCOC(Cc1ccccc1)c2ccccc2)C 7a_100000246494_100000761012 [0,1,0,0,0,1|1,0,1]=4 73 B21R2.12899 CC(=O)CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000053229 [0,1,0,0,0,1|1,0,0]=3 74 B21R2.12899 CC(=O)OCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100009813279 [0,1,0,0,0,1|2,0,0]=4 75 B21R2.12899 CC(C)CCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210312 [0,1,0,0,0,1|2,0,0]=4 76 B21R2.12899 CC(C)CCNC(Cc1ccccc1)c2ccccc2 269862a_100025772854_100000185833 [0,1,0,0,0,1|2,0,0]=4 77 B21R2.12899 CC(C)OCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000709892 [0,1,0,0,0,1|2,0,0]=4 78 B21R2.12899 CC(O)CCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100012276601 [0,1,0,0,0,1|2,0,0]=4 79 B21R2.12899 CC(O)CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100012276601 [0,1,0,0,0,1|1,0,0]=3 80 B21R2.12899 CC(O)CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100012276601 [0,1,0,0,0,1|1,0,0]=3 81 B21R2.12899 CN(C)CCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000757444 [0,1,0,0,0,1|2,0,0]=4 82 B21R2.12899 CN(C)CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000755713 [0,1,0,0,0,1|0,0,0]=2 83 B21R2.12899 NC(=O)CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000731001 [0,1,0,0,0,1|2,0,0]=4 84 B21R2.12899 NC(=O)CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000744528 [0,1,0,0,0,1|2,0,0]=4 85 B21R2.20452 C=CC(O)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000730141 [0,1,0,0,0,1|1,0,1]=4 86 B21R2.20452 C=CC(O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000730141 [0,1,0,0,0,1|1,0,1]=4 87 B21R2.20452 CCC(=O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000747405 [0,1,0,0,0,1|1,0,1]=4 88 B21R2.20452 CCC(C)CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000748023 [0,1,0,0,0,1|2,0,0]=4 89 B21R2.20452 CCC(C)CNC(Cc1ccccc1)c2ccccc2 270004a_100025772854_100000243153 [0,1,0,0,0,1|2,0,0]=4 90 B21R2.20452 CCC(O)CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100011218378 [0,1,0,0,0,1|2,0,0]=4 91 B21R2.20452 CCC(O)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100011218378 [0,1,0,0,0,1|1,0,0]=3 92 B21R2.20452 CCC(O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011218378 [0,1,0,0,0,1|1,0,0]=3 93 B21R2.20452 CC[C@H](C)CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100009816398 [0,1,0,0,0,1|2,0,0]=4 94 B21R2.20452 CNC(=O)CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000183359 [0,1,0,0,0,1|1,0,1]=4 95 B21R2.20452 CNC(=O)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000183359 [0,1,0,0,0,1|0,0,1]=3 96 B21R2.20452 CNC(=O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000183359 [0,1,0,0,0,1|0,0,1]=3 97 B21R2.20452 COC(=O)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000747449 [0,1,0,0,0,1|1,0,1]=4 98 B21R2.20452 COC(=O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000747449 [0,1,0,0,0,1|1,0,1]=4 99 B21R2.20452 C[C@@H](CO)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000059175 [0,1,0,0,0,1|2,0,0]=4 100 B21R2.20452 C[C@@H](CO)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000059175 [0,1,0,0,0,1|2,0,0]=4 101 B21R2.20452 OCC(O)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100011219619 [0,1,0,0,0,1|2,0,0]=4 102 B21R2.20452 OCC(O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100011219619 [0,1,0,0,0,1|2,0,0]=4 103 B21R2.20452 OC[C@H](O)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100009815848 [0,1,0,0,0,1|2,0,0]=4 104 B21R2.20452 OC[C@H](O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100009815848 [0,1,0,0,0,1|2,0,0]=4 105 B21R2.20452 O[C@@H](CF)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100015614560 [0,1,0,0,0,1|2,0,0]=4 106 B21R2.20452 O[C@@H](CF)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100015614560 [0,1,0,0,0,1|2,0,0]=4 107 B21R2.22304 CCCCC(=O)C(Cc1ccccc1)c2ccccc2 1458a_200000261918_100000210211 [0,1,0,0,0,1|2,0,0]=4 108 B21R2.22304 COCCC(=O)C(Cc1ccccc1)c2ccccc2 1458a_200000261918_100000233755 [0,1,0,0,0,1|2,0,0]=4 109 B21R2.22304 COCCC(=O)C(Sc1ccccc1)c2ccccc2 1458a_100005462441_100000233755 [0,1,0,0,0,1|2,0,0]=4 110 B21R2.22304 CSCCC(=O)C(Cc1ccccc1)c2ccccc2 1458a_200000261918_100000751147 [0,1,0,0,0,1|2,0,0]=4 111 B21R2.22304 CSCCC(=O)C(Sc1ccccc1)c2ccccc2 1458a_100005462441_100000751147 [0,1,0,0,0,1|2,0,0]=4 112 B21R2.28212 C#CCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000688953 [0,1,0,0,0,1|1,0,1]=4 113 B21R2.28212 C#CCCO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100000688953 [0,1,0,0,0,1|1,0,1]=4 114 B21R2.28212 C/C=C/COC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100102629194 [0,1,0,0,0,1|1,0,1]=4 115 B21R2.28212 C/C=C/CO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100102629194 [0,1,0,0,0,1|1,0,1]=4 116 B21R2.28212 C=CCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000754431 [0,1,0,0,0,1|1,0,1]=4 117 B21R2.28212 C=CCCO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100000754431 [0,1,0,0,0,1|1,0,1]=4 118 B21R2.28212 CC#CCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000748600 [0,1,0,0,0,1|1,0,1]=4 119 B21R2.28212 CC#CCO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100000748600 [0,1,0,0,0,1|1,0,1]=4 120 B21R2.28212 CC=CCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000070051 [0,1,0,0,0,1|1,0,1]=4 121 B21R2.28212 CC=CCO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100000070051 [0,1,0,0,0,1|1,0,1]=4 122 B21R2.28212 CCCCNC(C(=O)c1ccccc1)c2ccccc2 2230a_100000102301_100000211254 [0,1,0,0,0,1|2,0,0]=4 123 B21R2.28212 CCCCNC(C(=O)c1ccccc1)c2ccccc2 7a_106832991798_100000211254 [0,1,0,0,0,1|2,0,0]=4 124 B21R2.28212 CCCCN[C@H](c1ccccc1)[C@@H](O)c2ccccc2 2230a_100000765503_100000210211 [0,1,0,0,0,1|2,0,0]=4 125 B21R2.28212 CCCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000210211 [0,1,0,0,0,1|1,0,0]=3 126 B21R2.28212 CCCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000210227_100000211254 [0,1,0,0,0,1|1,0,0]=3 127 B21R2.28212 CCCCO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100000210210 [0,1,0,0,0,1|1,0,0]=3 128 B21R2.28212 COCCNC(C(=O)c1ccccc1)c2ccccc2 2230a_100000209980_100000211254 [0,1,0,0,0,1|2,0,0]=4 129 B21R2.28212 COCCN[C@H](c1ccccc1)[C@@H](O)c2ccccc2 2230a_100000765503_100011201679 [0,1,0,0,0,1|2,0,0]=4 130 B21R2.28212 COCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000233755 [0,1,0,0,0,1|1,0,0]=3 131 B21R2.28212 COCCO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100011201679 [0,1,0,0,0,1|1,0,0]=3 132 B21R2.28212 COCCSC(C(=O)c1ccccc1)c2ccccc2 62a_100000211254_100000233755 [0,1,0,0,0,1|1,1,0]=4 133 B21R2.28212 COCCSC(C(=O)c1ccccc1)c2ccccc2 62a_100000233755_100000211254 [0,1,0,0,0,1|1,1,0]=4 134 B21R2.28212 CSCCNC(C(=O)c1ccccc1)c2ccccc2 2230a_100020590264_100000211254 [0,1,0,0,0,1|2,0,0]=4 135 B21R2.28212 CSCCN[C@H](c1ccccc1)[C@@H](O)c2ccccc2 2230a_100000765503_100000751147 [0,1,0,0,0,1|2,0,0]=4 136 B21R2.28212 CSCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000212216 [0,1,0,0,0,1|1,0,0]=3 137 B21R2.28212 CSCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000230434_100000211254 [0,1,0,0,0,1|1,0,0]=3 138 B21R2.28212 CSCCO[C@@H](c1ccccc1)[C@H](N)c2ccccc2 34a_100000765503_100000212216 [0,1,0,0,0,1|1,0,0]=3 139 B21R2.28212 CSCCSC(C(=O)c1ccccc1)c2ccccc2 62a_100000211254_100000751147 [0,1,0,0,0,1|1,1,0]=4 140 B21R2.28212 CSCCSC(C(=O)c1ccccc1)c2ccccc2 62a_100000212216_100000211254 [0,1,0,0,0,1|1,1,0]=4 141 B21R2.28212 N#CCCOC(C(=O)c1ccccc1)c2ccccc2 7a_100000185998_100000184422 [0,1,0,0,0,1|2,0,0]=4 142 B21R2.28212 N[C@H](c1ccccc1)[C@@H](OCCCF)c2ccccc2 34a_100000765503_100011934791 [0,1,0,0,0,1|2,0,0]=4 143 B21R2.28212 N[C@H](c1ccccc1)[C@@H](OCCCO)c2ccccc2 34a_100000765503_100000230001 [0,1,0,0,0,1|2,0,0]=4 144 B21R2.28212 O=C(c1ccccc1)C(OCCCF)c2ccccc2 7a_100000185998_100011934791 [0,1,0,0,0,1|2,0,0]=4 145 B21R2.28212 O=C(c1ccccc1)C(OCCCO)c2ccccc2 7a_100000185998_100011215043 [0,1,0,0,0,1|2,0,0]=4 146 B21R2.4191 C#CCCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000695029 [0,2,0,0,0,0|1,0,1]=4 147 B21R2.4191 C#CCCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011215417 [0,2,0,0,0,0|1,0,1]=4 148 B21R2.4191 C#CCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000695029 [0,2,0,0,0,0|1,0,1]=4 149 B21R2.4191 C#CCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011215417 [0,2,0,0,0,0|1,0,1]=4 150 B21R2.4191 C=CCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000757094 [0,2,0,0,0,0|1,0,1]=4 151 B21R2.4191 C=CCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000757094 [0,2,0,0,0,0|1,0,1]=4 152 B21R2.4191 C=COCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000039644 [0,2,0,0,0,0|1,0,1]=4 153 B21R2.4191 C=COCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000039644 [0,2,0,0,0,0|1,0,1]=4 154 B21R2.4191 C=COCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000039644 [0,2,0,0,0,0|1,0,1]=4 155 B21R2.4191 C=COCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000039644 [0,2,0,0,0,0|1,0,1]=4 156 B21R2.4191 CC/C=C\COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100103147603 [0,2,0,0,0,0|1,0,1]=4 157 B21R2.4191 CC/C=C\COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100103147603 [0,2,0,0,0,0|1,0,1]=4 158 B21R2.4191 CCC#CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100009813939 [0,2,0,0,0,0|1,0,1]=4 159 B21R2.4191 CCC#CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100009813939 [0,2,0,0,0,0|1,0,1]=4 160 B21R2.4191 CCC#CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100009813939 [0,2,0,0,0,0|1,0,1]=4 161 B21R2.4191 CCC#CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100009813939 [0,2,0,0,0,0|1,0,1]=4 162 B21R2.4191 CCCCCNC(c1ccccc1)c2cccc(c2)C 270004a_100000209983_100011217825 [0,2,0,0,0,0|2,0,0]=4 163 B21R2.4191 CCCCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210326 [0,2,0,0,0,0|2,0,0]=4 164 B21R2.4191 CCCCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000209983_200011219850 [0,2,0,0,0,0|2,0,0]=4 165 B21R2.4191 CCCCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000718602 [0,2,0,0,0,0|2,0,0]=4 166 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100011215890 [0,2,0,0,0,0|2,0,0]=4 167 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)Br 270004a_102516460346_100011267660 [0,2,0,0,0,0|2,0,0]=4 168 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000210147 [0,2,0,0,0,0|2,0,0]=4 169 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)C 270004a_102516460346_100011217825 [0,2,0,0,0,0|2,0,0]=4 170 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100011215890 [0,2,0,0,0,0|2,0,0]=4 171 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_102516460346_100011215489 [0,2,0,0,0,0|2,0,0]=4 172 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000210147 [0,2,0,0,0,0|2,0,0]=4 173 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100011215890 [0,2,0,0,0,0|2,0,0]=4 174 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)F 270004a_102516460346_200011219850 [0,2,0,0,0,0|2,0,0]=4 175 B21R2.4191 CCOCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000210147 [0,2,0,0,0,0|2,0,0]=4 176 B21R2.4191 CCOCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000210147 [0,2,0,0,0,0|1,0,0]=3 177 B21R2.4191 CCOCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011215890 [0,2,0,0,0,0|1,0,0]=3 178 B21R2.4191 CCOCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000210147 [0,2,0,0,0,0|1,0,0]=3 179 B21R2.4191 CCOCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011215890 [0,2,0,0,0,0|1,0,0]=3 180 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000757381 [0,2,0,0,0,0|2,0,0]=4 181 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000106463_100011267660 [0,2,0,0,0,0|2,0,0]=4 182 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000757381 [0,2,0,0,0,0|2,0,0]=4 183 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)C 270004a_100000106463_100011217825 [0,2,0,0,0,0|2,0,0]=4 184 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000757381 [0,2,0,0,0,0|2,0,0]=4 185 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000106463_100011215489 [0,2,0,0,0,0|2,0,0]=4 186 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000757381 [0,2,0,0,0,0|2,0,0]=4 187 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000757381 [0,2,0,0,0,0|2,0,0]=4 188 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000106463_200011219850 [0,2,0,0,0,0|2,0,0]=4 189 B21R2.4191 CCSCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000757381 [0,2,0,0,0,0|2,0,0]=4 190 B21R2.4191 CCSCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000757381 [0,2,0,0,0,0|1,0,0]=3 191 B21R2.4191 CCSCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000757381 [0,2,0,0,0,0|1,0,0]=3 192 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000740836 [0,2,0,0,0,0|2,0,0]=4 193 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100150723488_100011267660 [0,2,0,0,0,0|2,0,0]=4 194 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000740836 [0,2,0,0,0,0|2,0,0]=4 195 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)C 270004a_100150723488_100011217825 [0,2,0,0,0,0|2,0,0]=4 196 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000740836 [0,2,0,0,0,0|2,0,0]=4 197 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100150723488_100011215489 [0,2,0,0,0,0|2,0,0]=4 198 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000740836 [0,2,0,0,0,0|2,0,0]=4 199 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000740836 [0,2,0,0,0,0|2,0,0]=4 200 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)F 270004a_100150723488_200011219850 [0,2,0,0,0,0|2,0,0]=4 201 B21R2.4191 COCCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000740836 [0,2,0,0,0,0|2,0,0]=4 202 B21R2.4191 COCCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000740836 [0,2,0,0,0,0|1,0,0]=3 203 B21R2.4191 COCCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000740836 [0,2,0,0,0,0|1,0,0]=3 204 B21R2.4191 COCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000740836 [0,2,0,0,0,0|1,0,0]=3 205 B21R2.4191 COCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000740836 [0,2,0,0,0,0|1,0,0]=3 206 B21R2.4191 CSCCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000749238_100011267660 [0,2,0,0,0,0|2,0,0]=4 207 B21R2.4191 CSCCCNC(c1ccccc1)c2cccc(c2)C 270004a_100000749238_100011217825 [0,2,0,0,0,0|2,0,0]=4 208 B21R2.4191 CSCCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000749238_100011215489 [0,2,0,0,0,0|2,0,0]=4 209 B21R2.4191 CSCCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000749238_200011219850 [0,2,0,0,0,0|2,0,0]=4 210 B21R2.4191 Cc1cccc(c1)C(NCCCCO)c2ccccc2 270004a_100000750430_100011217825 [0,2,0,0,0,0|2,0,0]=4 211 B21R2.4191 FCCCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000729493 [0,2,0,0,0,0|2,0,0]=4 212 B21R2.4191 FCCCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000729493 [0,2,0,0,0,0|2,0,0]=4 213 B21R2.4191 FCCCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000729493 [0,2,0,0,0,0|2,0,0]=4 214 B21R2.4191 FCCCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000729493 [0,2,0,0,0,0|2,0,0]=4 215 B21R2.4191 FCCCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000729493 [0,2,0,0,0,0|2,0,0]=4 216 B21R2.4191 FCCCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000729493 [0,2,0,0,0,0|2,0,0]=4 217 B21R2.4191 FCCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000729493 [0,2,0,0,0,0|1,0,0]=3 218 B21R2.4191 FCCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000729493 [0,2,0,0,0,0|1,0,0]=3 219 B21R2.4191 N#CCCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000687738 [0,2,0,0,0,0|1,0,1]=4 220 B21R2.4191 N#CCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000687738 [0,2,0,0,0,0|1,0,1]=4 221 B21R2.4191 O=CCCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_200011292268 [0,2,0,0,0,0|1,0,1]=4 222 B21R2.4191 O=CCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_200011292268 [0,2,0,0,0,0|1,0,1]=4 223 B21R2.4191 OCC#CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_200000047223 [0,2,0,0,0,0|1,0,1]=4 224 B21R2.4191 OCC#CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_200000047223 [0,2,0,0,0,0|1,0,1]=4 225 B21R2.4191 OCC#CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_200000047223 [0,2,0,0,0,0|1,0,1]=4 226 B21R2.4191 OCC#CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_200000047223 [0,2,0,0,0,0|1,0,1]=4 227 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000210776 [0,2,0,0,0,0|2,0,0]=4 228 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000750430_100011267660 [0,2,0,0,0,0|2,0,0]=4 229 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100011216708 [0,2,0,0,0,0|2,0,0]=4 230 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000210776 [0,2,0,0,0,0|2,0,0]=4 231 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000750430_100011215489 [0,2,0,0,0,0|2,0,0]=4 232 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100011216708 [0,2,0,0,0,0|2,0,0]=4 233 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210776 [0,2,0,0,0,0|2,0,0]=4 234 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)F 270004a_100000750430_200011219850 [0,2,0,0,0,0|2,0,0]=4 235 B21R2.4191 OCCCCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100011216708 [0,2,0,0,0,0|2,0,0]=4 236 B21R2.4191 OCCCCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100011216708 [0,2,0,0,0,0|1,0,0]=3 237 B21R2.4191 OCCCCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000210776 [0,2,0,0,0,0|1,0,0]=3 238 B21R2.4191 OCCCCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100011216708 [0,2,0,0,0,0|1,0,0]=3 239 B21R2.4191 OCCCCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000210776 [0,2,0,0,0,0|1,0,0]=3 240 B21R2.5153 CCCCN(C)C(c1ccccc1)c2cccc(c2)C 270004a_100000207549_100011217825 [0,2,0,0,0,0|2,0,0]=4 241 B21R2.5153 CCCCN(C)C(c1ccccc1)c2cccc(c2)F 270004a_100000207549_200011219850 [0,2,0,0,0,0|2,0,0]=4 242 B21R2.5153 COCCN(C)C(c1ccccc1)c2cccc(c2)Br 270004a_100000743101_100011267660 [0,2,0,0,0,0|2,0,0]=4 243 B21R2.5153 COCCN(C)C(c1ccccc1)c2cccc(c2)C 270004a_100000743101_100011217825 [0,2,0,0,0,0|2,0,0]=4 244 B21R2.5153 COCCN(C)C(c1ccccc1)c2cccc(c2)Cl 270004a_100000743101_100011215489 [0,2,0,0,0,0|2,0,0]=4 245 B21R2.5153 COCCN(C)C(c1ccccc1)c2cccc(c2)F 270004a_100000743101_200011219850 [0,2,0,0,0,0|2,0,0]=4 246 B21R2.5153 CSCCN(C)C(c1ccccc1)c2cccc(c2)Br 270004a_100000686725_100011267660 [0,2,0,0,0,0|2,0,0]=4 247 B21R2.5153 CSCCN(C)C(c1ccccc1)c2cccc(c2)C 270004a_100000686725_100011217825 [0,2,0,0,0,0|2,0,0]=4 248 B21R2.5153 CSCCN(C)C(c1ccccc1)c2cccc(c2)Cl 270004a_100000686725_100011215489 [0,2,0,0,0,0|2,0,0]=4 249 B21R2.5153 CSCCN(C)C(c1ccccc1)c2cccc(c2)F 270004a_100000686725_200011219850 [0,2,0,0,0,0|2,0,0]=4 250 B21R2.17859 CC(CC#N)OC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100009813641 [0,2,0,0,0,0|2,0,0]=4 251 B21R2.17859 CC(CC#N)OC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100009813641 [0,2,0,0,0,0|2,0,0]=4 252 B21R2.17859 CC(CCO)OC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100009893172 [0,2,0,0,0,0|2,0,0]=4 253 B21R2.17859 CC(CCO)OC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100009893172 [0,2,0,0,0,0|2,0,0]=4 254 B21R2.17859 CC(CCO)OC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100009893172 [0,2,0,0,0,0|2,0,0]=4 255 B21R2.17859 CC(CCO)OC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100009893172 [0,2,0,0,0,0|2,0,0]=4 256 B21R2.17859 CCCC(C)NC(c1ccccc1)c2cccc(c2)C 270004a_100000741246_100011217825 [0,2,0,0,0,0|2,0,0]=4 257 B21R2.17859 CCCC(C)NC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000766640 [0,2,0,0,0,0|2,0,0]=4 258 B21R2.17859 CCCC(C)NC(c1ccccc1)c2cccc(c2)F 270004a_100000686443_100000211909 [0,2,0,0,0,0|2,0,0]=4 259 B21R2.17859 CCCC(C)NC(c1ccccc1)c2cccc(c2)F 270004a_100000741246_200011219850 [0,2,0,0,0,0|2,0,0]=4 260 B21R2.17859 CCCC(C)NC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000766640 [0,2,0,0,0,0|2,0,0]=4 261 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000765312 [0,2,0,0,0,0|2,0,0]=4 262 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)Br 270004a_100011212009_100000749346 [0,2,0,0,0,0|2,0,0]=4 263 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000765312 [0,2,0,0,0,0|2,0,0]=4 264 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000765312 [0,2,0,0,0,0|2,0,0]=4 265 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)Cl 270004a_100000741085_100000749346 [0,2,0,0,0,0|2,0,0]=4 266 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000765312 [0,2,0,0,0,0|2,0,0]=4 267 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000765312 [0,2,0,0,0,0|2,0,0]=4 268 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)F 270004a_100000686443_100000749346 [0,2,0,0,0,0|2,0,0]=4 269 B21R2.17859 COCC(C)NC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000765312 [0,2,0,0,0,0|2,0,0]=4 270 B21R2.17859 COCC(C)OC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000765312 [0,2,0,0,0,0|1,0,0]=3 271 B21R2.17859 COCC(C)OC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000765312 [0,2,0,0,0,0|1,0,0]=3 272 B21R2.17859 COCC(C)OC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000765312 [0,2,0,0,0,0|1,0,0]=3 273 B21R2.17859 COCC(C)OC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000765312 [0,2,0,0,0,0|1,0,0]=3 274 B21R2.17859 COC[C@@H](C)NC(c1ccccc1)c2cccc(c2)Br 270004a_100000764878_100011267660 [0,2,0,0,0,0|2,0,0]=4 275 B21R2.17859 COC[C@@H](C)NC(c1ccccc1)c2cccc(c2)C 270004a_100000764878_100011217825 [0,2,0,0,0,0|2,0,0]=4 276 B21R2.17859 COC[C@@H](C)NC(c1ccccc1)c2cccc(c2)Cl 270004a_100000764878_100011215489 [0,2,0,0,0,0|2,0,0]=4 277 B21R2.17859 COC[C@@H](C)NC(c1ccccc1)c2cccc(c2)F 270004a_100000764878_200011219850 [0,2,0,0,0,0|2,0,0]=4 278 B21R2.17859 CSCC(C)NC(c1ccccc1)c2cccc(c2)Br 270004a_100011212009_100011216314 [0,2,0,0,0,0|2,0,0]=4 279 B21R2.17859 CSCC(C)NC(c1ccccc1)c2cccc(c2)Cl 270004a_100000741085_100011216314 [0,2,0,0,0,0|2,0,0]=4 280 B21R2.17859 CSCC(C)NC(c1ccccc1)c2cccc(c2)F 270004a_100000686443_100011216314 [0,2,0,0,0,0|2,0,0]=4 281 B21R2.23060 C=CC(O)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000730141 [0,2,0,0,0,0|1,0,1]=4 282 B21R2.23060 C=CC(O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000730141 [0,2,0,0,0,0|1,0,1]=4 283 B21R2.23060 C=CC(O)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000730141 [0,2,0,0,0,0|1,0,1]=4 284 B21R2.23060 C=CC(O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000730141 [0,2,0,0,0,0|1,0,1]=4 285 B21R2.23060 CCC(=O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000747405 [0,2,0,0,0,0|1,0,1]=4 286 B21R2.23060 CCC(=O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000747405 [0,2,0,0,0,0|1,0,1]=4 287 B21R2.23060 CCC(C)CNC(c1ccccc1)c2cccc(c2)C 270004a_100020588543_100011217825 [0,2,0,0,0,0|2,0,0]=4 288 B21R2.23060 CCC(C)CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000748023 [0,2,0,0,0,0|2,0,0]=4 289 B21R2.23060 CCC(C)CNC(c1ccccc1)c2cccc(c2)F 270004a_100000686443_100000243153 [0,2,0,0,0,0|2,0,0]=4 290 B21R2.23060 CCC(C)CNC(c1ccccc1)c2cccc(c2)F 270004a_100020588543_200011219850 [0,2,0,0,0,0|2,0,0]=4 291 B21R2.23060 CCC(C)CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000748023 [0,2,0,0,0,0|2,0,0]=4 292 B21R2.23060 CCC(C)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000748023 [0,2,0,0,0,0|1,0,0]=3 293 B21R2.23060 CCC(C)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000748023 [0,2,0,0,0,0|1,0,0]=3 294 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100011218378 [0,2,0,0,0,0|2,0,0]=4 295 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)Br 270004a_100011218483_100011267660 [0,2,0,0,0,0|2,0,0]=4 296 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100011218378 [0,2,0,0,0,0|2,0,0]=4 297 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)C 270004a_100011218483_100011217825 [0,2,0,0,0,0|2,0,0]=4 298 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100011218378 [0,2,0,0,0,0|2,0,0]=4 299 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)Cl 270004a_100011218483_100011215489 [0,2,0,0,0,0|2,0,0]=4 300 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100011218378 [0,2,0,0,0,0|2,0,0]=4 301 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100011218378 [0,2,0,0,0,0|2,0,0]=4 302 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)F 270004a_100011218483_200011219850 [0,2,0,0,0,0|2,0,0]=4 303 B21R2.23060 CCC(O)CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100011218378 [0,2,0,0,0,0|2,0,0]=4 304 B21R2.23060 CCC(O)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100011218378 [0,2,0,0,0,0|1,0,0]=3 305 B21R2.23060 CCC(O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011218378 [0,2,0,0,0,0|1,0,0]=3 306 B21R2.23060 CCC(O)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100011218378 [0,2,0,0,0,0|1,0,0]=3 307 B21R2.23060 CCC(O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011218378 [0,2,0,0,0,0|1,0,0]=3 308 B21R2.23060 CC[C@H](C)CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100009816398 [0,2,0,0,0,0|2,0,0]=4 309 B21R2.23060 CC[C@H](C)CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100009816398 [0,2,0,0,0,0|2,0,0]=4 310 B21R2.23060 CC[C@H](C)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100009816398 [0,2,0,0,0,0|1,0,0]=3 311 B21R2.23060 CC[C@H](C)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100009816398 [0,2,0,0,0,0|1,0,0]=3 312 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000183359 [0,2,0,0,0,0|1,0,1]=4 313 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)Br 270004a_100000693194_100011267660 [0,2,0,0,0,0|1,0,1]=4 314 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000183359 [0,2,0,0,0,0|1,0,1]=4 315 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)C 270004a_100000693194_100011217825 [0,2,0,0,0,0|1,0,1]=4 316 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000183359 [0,2,0,0,0,0|1,0,1]=4 317 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000693194_100011215489 [0,2,0,0,0,0|1,0,1]=4 318 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000183359 [0,2,0,0,0,0|1,0,1]=4 319 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000183359 [0,2,0,0,0,0|1,0,1]=4 320 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)F 270004a_100000693194_200011219850 [0,2,0,0,0,0|1,0,1]=4 321 B21R2.23060 CNC(=O)CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000183359 [0,2,0,0,0,0|1,0,1]=4 322 B21R2.23060 CNC(=O)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000183359 [0,2,0,0,0,0|0,0,1]=3 323 B21R2.23060 CNC(=O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000183359 [0,2,0,0,0,0|0,0,1]=3 324 B21R2.23060 CNC(=O)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000183359 [0,2,0,0,0,0|0,0,1]=3 325 B21R2.23060 CNC(=O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000183359 [0,2,0,0,0,0|0,0,1]=3 326 B21R2.23060 COC(=O)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000747449 [0,2,0,0,0,0|1,0,1]=4 327 B21R2.23060 COC(=O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000747449 [0,2,0,0,0,0|1,0,1]=4 328 B21R2.23060 COC(=O)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000747449 [0,2,0,0,0,0|1,0,1]=4 329 B21R2.23060 COC(=O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000747449 [0,2,0,0,0,0|1,0,1]=4 330 B21R2.23060 CO[C@H](C)CNC(c1ccccc1)c2cccc(c2)Br 270004a_100020591295_100011267660 [0,2,0,0,0,0|2,0,0]=4 331 B21R2.23060 CO[C@H](C)CNC(c1ccccc1)c2cccc(c2)C 270004a_100020591295_100011217825 [0,2,0,0,0,0|2,0,0]=4 332 B21R2.23060 CO[C@H](C)CNC(c1ccccc1)c2cccc(c2)Cl 270004a_100020591295_100011215489 [0,2,0,0,0,0|2,0,0]=4 333 B21R2.23060 CO[C@H](C)CNC(c1ccccc1)c2cccc(c2)F 270004a_100020591295_200011219850 [0,2,0,0,0,0|2,0,0]=4 334 B21R2.23060 C[C@@H](CO)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000059175 [0,2,0,0,0,0|2,0,0]=4 335 B21R2.23060 C[C@@H](CO)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000059175 [0,2,0,0,0,0|2,0,0]=4 336 B21R2.23060 C[C@@H](CO)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000059175 [0,2,0,0,0,0|2,0,0]=4 337 B21R2.23060 C[C@@H](CO)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000059175 [0,2,0,0,0,0|2,0,0]=4 338 B21R2.23060 OCC(O)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100011219619 [0,2,0,0,0,0|2,0,0]=4 339 B21R2.23060 OCC(O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100011219619 [0,2,0,0,0,0|2,0,0]=4 340 B21R2.23060 OCC(O)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100011219619 [0,2,0,0,0,0|2,0,0]=4 341 B21R2.23060 OCC(O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100011219619 [0,2,0,0,0,0|2,0,0]=4 342 B21R2.23060 OC[C@H](O)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100009815848 [0,2,0,0,0,0|2,0,0]=4 343 B21R2.23060 OC[C@H](O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100009815848 [0,2,0,0,0,0|2,0,0]=4 344 B21R2.23060 OC[C@H](O)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100009815848 [0,2,0,0,0,0|2,0,0]=4 345 B21R2.23060 OC[C@H](O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100009815848 [0,2,0,0,0,0|2,0,0]=4 346 B21R2.23060 O[C@@H](CF)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100015614560 [0,2,0,0,0,0|2,0,0]=4 347 B21R2.23060 O[C@@H](CF)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100015614560 [0,2,0,0,0,0|2,0,0]=4 348 B21R2.23060 O[C@@H](CF)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100015614560 [0,2,0,0,0,0|2,0,0]=4 349 B21R2.23060 O[C@@H](CF)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100015614560 [0,2,0,0,0,0|2,0,0]=4 350 B21R2.28164 C#CCCOC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100000688953 [0,2,0,0,0,0|1,0,1]=4 351 B21R2.28164 C#CCCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000688953 [0,2,0,0,0,0|1,0,1]=4 352 B21R2.28164 C/C=C/COC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100102629194 [0,2,0,0,0,0|1,0,1]=4 353 B21R2.28164 C/C=C/COC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100102629194 [0,2,0,0,0,0|1,0,1]=4 354 B21R2.28164 C=CCCOC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100000754431 [0,2,0,0,0,0|1,0,1]=4 355 B21R2.28164 C=CCCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000754431 [0,2,0,0,0,0|1,0,1]=4 356 B21R2.28164 CC#CCOC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100000748600 [0,2,0,0,0,0|1,0,1]=4 357 B21R2.28164 CC#CCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000748600 [0,2,0,0,0,0|1,0,1]=4 358 B21R2.28164 CC=CCOC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100000070051 [0,2,0,0,0,0|1,0,1]=4 359 B21R2.28164 CC=CCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000070051 [0,2,0,0,0,0|1,0,1]=4 360 B21R2.28164 CCCCNC(c1ccccc1)c2cc(ccc2F)F 270004a_100000102301_100011217027 [0,2,0,0,0,0|2,0,0]=4 361 B21R2.28164 CCCCOC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100000210210 [0,2,0,0,0,0|1,0,0]=3 362 B21R2.28164 CCCCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000210211 [0,2,0,0,0,0|1,0,0]=3 363 B21R2.28164 COCCNC(c1ccccc1)c2cc(ccc2Cl)Cl 270004a_100000209980_100000699483 [0,2,0,0,0,0|2,0,0]=4 364 B21R2.28164 COCCNC(c1ccccc1)c2cc(ccc2F)F 270004a_100000209980_100011217027 [0,2,0,0,0,0|2,0,0]=4 365 B21R2.28164 COCCOC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100011201679 [0,2,0,0,0,0|1,0,0]=3 366 B21R2.28164 COCCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000233755 [0,2,0,0,0,0|1,0,0]=3 367 B21R2.28164 CSCCNC(c1ccccc1)c2cc(ccc2F)F 270004a_100020590264_100011217027 [0,2,0,0,0,0|2,0,0]=4 368 B21R2.28164 CSCCOC(c1ccccc1)c2cc(ccc2N)Cl 34a_100000011915_100000212216 [0,2,0,0,0,0|1,0,0]=3 369 B21R2.28164 CSCCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000212216 [0,2,0,0,0,0|1,0,0]=3 370 B21R2.28164 N#CCCOC(c1ccccc1)c2cc(ccc2N)Cl 7a_100000011915_100000184422 [0,2,0,0,0,0|2,0,0]=4 371 B21R2.28164 Nc1ccc(cc1C(OCCCF)c2ccccc2)Cl 34a_100000011915_100011934791 [0,2,0,0,0,0|2,0,0]=4 372 B21R2.28164 Nc1ccc(cc1C(OCCCF)c2ccccc2)Cl 7a_100000011915_100011934791 [0,2,0,0,0,0|2,0,0]=4 373 B21R2.28164 Nc1ccc(cc1C(OCCCO)c2ccccc2)Cl 34a_100000011915_100000230001 [0,2,0,0,0,0|2,0,0]=4 374 B21R2.28164 Nc1ccc(cc1C(OCCCO)c2ccccc2)Cl 7a_100000011915_100011215043 [0,2,0,0,0,0|2,0,0]=4 375 B21R2.28175 CCCCNC(c1ccccc1)c2ccc(c(c2)C)C 270004a_100000102301_100000185006 [0,2,0,0,0,0|2,0,0]=4 376 B21R2.28175 CCCCNC(c1ccccc1)c2ccc(c(c2)F)F 270004a_100000102301_100011218205 [0,2,0,0,0,0|2,0,0]=4 377 B21R2.28175 COCCNC(c1ccccc1)c2ccc(c(c2)C)C 270004a_100000209980_100000185006 [0,2,0,0,0,0|2,0,0]=4 378 B21R2.28175 COCCNC(c1ccccc1)c2ccc(c(c2)Cl)Cl 270004a_100000209980_100011215129 [0,2,0,0,0,0|2,0,0]=4 379 B21R2.28175 COCCNC(c1ccccc1)c2ccc(c(c2)F)F 270004a_100000209980_100011218205 [0,2,0,0,0,0|2,0,0]=4 380 B21R2.28175 CSCCNC(c1ccccc1)c2ccc(c(c2)C)C 270004a_100020590264_100000185006 [0,2,0,0,0,0|2,0,0]=4 381 B21R2.28175 CSCCNC(c1ccccc1)c2ccc(c(c2)F)F 270004a_100020590264_100011218205 [0,2,0,0,0,0|2,0,0]=4 382 B21R2.28183 C#CCCOC(c1ccccc1)c2cccc(c2)OC 34a_200017279661_100000688953 [0,2,0,0,0,0|1,0,1]=4 383 B21R2.28183 C#CCCOC(c1ccccc1)c2cccc(c2)OC 7a_200017279661_100000688953 [0,2,0,0,0,0|1,0,1]=4 384 B21R2.28183 C/C=C/COC(c1ccccc1)c2cccc(c2)OC 34a_200017279661_100102629194 [0,2,0,0,0,0|1,0,1]=4 385 B21R2.28183 C/C=C/COC(c1ccccc1)c2cccc(c2)OC 7a_200017279661_100102629194 [0,2,0,0,0,0|1,0,1]=4 386 B21R2.28183 C=CCCOC(c1ccccc1)c2cccc(c2)OC 34a_200017279661_100000754431 [0,2,0,0,0,0|1,0,1]=4 387 B21R2.28183 C=CCCOC(c1ccccc1)c2cccc(c2)OC 7a_200017279661_100000754431 [0,2,0,0,0,0|1,0,1]=4 388 B21R2.28183 CC#CCOC(c1ccccc1)c2cccc(c2)OC 34a_200017279661_100000748600 [0,2,0,0,0,0|1,0,1]=4 389 B21R2.28183 CC#CCOC(c1ccccc1)c2cccc(c2)OC 7a_200017279661_100000748600 [0,2,0,0,0,0|1,0,1]=4 390 B21R2.28183 CC=CCOC(c1ccccc1)c2cccc(c2)OC 34a_200017279661_100000070051 [0,2,0,0,0,0|1,0,1]=4 391 B21R2.28183 CC=CCOC(c1ccccc1)c2cccc(c2)OC 7a_200017279661_100000070051 [0,2,0,0,0,0|1,0,1]=4 392 B21R2.28183 CCCCNC(c1ccccc1)c2cccc(c2)CC 270004a_100000102301_100012339983 [0,2,0,0,0,0|2,0,0]=4 393 B21R2.28183 CCCCNC(c1ccccc1)c2cccc(c2)OC 2230a_100000296159_100000210211 [0,2,0,0,0,0|2,0,0]=4 394 B21R2.28183 CCCCNC(c1ccccc1)c2cccc(c2)OC 34a_100000296159_100000210210 [0,2,0,0,0,0|2,0,0]=4 395 B21R2.28183 CCCCOC(c1ccccc1)c2cccc(c2)OC 34a_200017279661_100000210210 [0,2,0,0,0,0|1,0,0]=3 396 B21R2.28183 CCCCOC(c1ccccc1)c2cccc(c2)OC 7a_200017279661_100000210211 [0,2,0,0,0,0|1,0,0]=3 397 B21R2.28183 CCc1cccc(c1)C(NCCOC)c2ccccc2 270004a_100000209980_100012339983 [0,2,0,0,0,0|2,0,0]=4 398 B21R2.28183 CCc1cccc(c1)C(NCCSC)c2ccccc2 270004a_100020590264_100012339983 [0,2,0,0,0,0|2,0,0]=4 399 B21R2.28183 COCCNC(c1ccccc1)c2cccc(c2)OC 2230a_100000296159_100011201679 [0,2,0,0,0,0|2,0,0]=4 400 B21R2.28183 COCCNC(c1ccccc1)c2cccc(c2)OC 34a_100000296159_100011201679 [0,2,0,0,0,0|2,0,0]=4 401 B21R2.28183 COCCOC(c1ccccc1)c2cccc(c2)OC 34a_200017279661_100011201679 [0,2,0,0,0,0|1,0,0]=3 402 B21R2.28183 COCCOC(c1ccccc1)c2cccc(c2)OC 7a_200017279661_100000233755 [0,2,0,0,0,0|1,0,0]=3 403 B21R2.28183 COc1cccc(c1)C(NCCSC)c2ccccc2 2230a_100000296159_100000751147 [0,2,0,0,0,0|2,0,0]=4 404 B21R2.28183 COc1cccc(c1)C(NCCSC)c2ccccc2 34a_100000296159_100000212216 [0,2,0,0,0,0|2,0,0]=4 405 B21R2.28183 COc1cccc(c1)C(OCCC#N)c2ccccc2 7a_200017279661_100000184422 [0,2,0,0,0,0|2,0,0]=4 406 B21R2.28183 COc1cccc(c1)C(OCCCF)c2ccccc2 34a_200017279661_100011934791 [0,2,0,0,0,0|2,0,0]=4 407 B21R2.28183 COc1cccc(c1)C(OCCCF)c2ccccc2 7a_200017279661_100011934791 [0,2,0,0,0,0|2,0,0]=4 408 B21R2.28183 COc1cccc(c1)C(OCCCO)c2ccccc2 34a_200017279661_100000230001 [0,2,0,0,0,0|2,0,0]=4 409 B21R2.28183 COc1cccc(c1)C(OCCCO)c2ccccc2 7a_200017279661_100011215043 [0,2,0,0,0,0|2,0,0]=4 410 B21R2.28183 COc1cccc(c1)C(OCCSC)c2ccccc2 34a_200017279661_100000212216 [0,2,0,0,0,0|1,0,0]=3 411 B21R2.28183 COc1cccc(c1)C(OCCSC)c2ccccc2 7a_200017279661_100000212216 [0,2,0,0,0,0|1,0,0]=3 412 B21R2.28195 C#CCCOC(c1ccc(cc1)Br)c2cccc(c2)F 34a_200000373125_100000688953 [0,2,0,0,0,0|1,0,1]=4 413 B21R2.28195 C#CCCOC(c1ccc(cc1)Br)c2cccc(c2)F 7a_200000373125_100000688953 [0,2,0,0,0,0|1,0,1]=4 414 B21R2.28195 C#CCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 34a_200000373141_100000688953 [0,2,0,0,0,0|1,0,1]=4 415 B21R2.28195 C#CCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 7a_200000373141_100000688953 [0,2,0,0,0,0|1,0,1]=4 416 B21R2.28195 C#CCCOC(c1ccc(cc1)F)c2cccc(c2)Br 34a_200000373208_100000688953 [0,2,0,0,0,0|1,0,1]=4 417 B21R2.28195 C#CCCOC(c1ccc(cc1)F)c2cccc(c2)Br 7a_200000373208_100000688953 [0,2,0,0,0,0|1,0,1]=4 418 B21R2.28195 C#CCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 34a_200000373149_100000688953 [0,2,0,0,0,0|1,0,1]=4 419 B21R2.28195 C#CCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 7a_200000373149_100000688953 [0,2,0,0,0,0|1,0,1]=4 420 B21R2.28195 CC#CCOC(c1ccc(cc1)Br)c2cccc(c2)F 34a_200000373125_100000748600 [0,2,0,0,0,0|1,0,1]=4 421 B21R2.28195 CC#CCOC(c1ccc(cc1)Br)c2cccc(c2)F 7a_200000373125_100000748600 [0,2,0,0,0,0|1,0,1]=4 422 B21R2.28195 CC#CCOC(c1ccc(cc1)Cl)c2cccc(c2)F 34a_200000373141_100000748600 [0,2,0,0,0,0|1,0,1]=4 423 B21R2.28195 CC#CCOC(c1ccc(cc1)Cl)c2cccc(c2)F 7a_200000373141_100000748600 [0,2,0,0,0,0|1,0,1]=4 424 B21R2.28195 CC#CCOC(c1ccc(cc1)F)c2cccc(c2)Br 34a_200000373208_100000748600 [0,2,0,0,0,0|1,0,1]=4 425 B21R2.28195 CC#CCOC(c1ccc(cc1)F)c2cccc(c2)Br 7a_200000373208_100000748600 [0,2,0,0,0,0|1,0,1]=4 426 B21R2.28195 CC#CCOC(c1ccc(cc1)F)c2cccc(c2)Cl 34a_200000373149_100000748600 [0,2,0,0,0,0|1,0,1]=4 427 B21R2.28195 CC#CCOC(c1ccc(cc1)F)c2cccc(c2)Cl 7a_200000373149_100000748600 [0,2,0,0,0,0|1,0,1]=4 428 B21R2.28195 CCCCNC(c1ccc(cc1)F)c2cccc(c2)F 270004a_100000102301_100000185714 [0,2,0,0,0,0|2,0,0]=4 429 B21R2.28195 COCCNC(c1ccc(cc1)Br)c2cccc(c2)F 2230a_200000296200_100011201679 [0,2,0,0,0,0|2,0,0]=4 430 B21R2.28195 COCCNC(c1ccc(cc1)Br)c2cccc(c2)F 34a_200000296200_100011201679 [0,2,0,0,0,0|2,0,0]=4 431 B21R2.28195 COCCNC(c1ccc(cc1)C)c2cccc(c2)Br 270004a_100000209980_200011268011 [0,2,0,0,0,0|2,0,0]=4 432 B21R2.28195 COCCNC(c1ccc(cc1)Cl)c2cccc(c2)Cl 270004a_100000209980_200011267713 [0,2,0,0,0,0|2,0,0]=4 433 B21R2.28195 COCCNC(c1ccc(cc1)F)c2cccc(c2)Br 270004a_100000209980_200011267472 [0,2,0,0,0,0|2,0,0]=4 434 B21R2.28195 COCCNC(c1ccc(cc1)F)c2cccc(c2)F 270004a_100000209980_100000185714 [0,2,0,0,0,0|2,0,0]=4 435 B21R2.28195 COCCOC(c1ccc(cc1)Br)c2cccc(c2)F 34a_200000373125_100011201679 [0,2,0,0,0,0|1,0,0]=3 436 B21R2.28195 COCCOC(c1ccc(cc1)Br)c2cccc(c2)F 7a_200000373125_100000233755 [0,2,0,0,0,0|1,0,0]=3 437 B21R2.28195 COCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 34a_200000373141_100011201679 [0,2,0,0,0,0|1,0,0]=3 438 B21R2.28195 COCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 7a_200000373141_100000233755 [0,2,0,0,0,0|1,0,0]=3 439 B21R2.28195 COCCOC(c1ccc(cc1)F)c2cccc(c2)Br 34a_200000373208_100011201679 [0,2,0,0,0,0|1,0,0]=3 440 B21R2.28195 COCCOC(c1ccc(cc1)F)c2cccc(c2)Br 7a_200000373208_100000233755 [0,2,0,0,0,0|1,0,0]=3 441 B21R2.28195 COCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 34a_200000373149_100011201679 [0,2,0,0,0,0|1,0,0]=3 442 B21R2.28195 COCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 7a_200000373149_100000233755 [0,2,0,0,0,0|1,0,0]=3 443 B21R2.28195 CSCCNC(c1ccc(cc1)Br)c2cccc(c2)F 2230a_200000296200_100000751147 [0,2,0,0,0,0|2,0,0]=4 444 B21R2.28195 CSCCNC(c1ccc(cc1)Br)c2cccc(c2)F 34a_200000296200_100000212216 [0,2,0,0,0,0|2,0,0]=4 445 B21R2.28195 CSCCNC(c1ccc(cc1)C)c2cccc(c2)Br 270004a_100020590264_200011268011 [0,2,0,0,0,0|2,0,0]=4 446 B21R2.28195 CSCCNC(c1ccc(cc1)F)c2cccc(c2)Br 270004a_100020590264_200011267472 [0,2,0,0,0,0|2,0,0]=4 447 B21R2.28195 CSCCNC(c1ccc(cc1)F)c2cccc(c2)F 270004a_100020590264_100000185714 [0,2,0,0,0,0|2,0,0]=4 448 B21R2.28195 CSCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 34a_200000373141_100000212216 [0,2,0,0,0,0|1,0,0]=3 449 B21R2.28195 CSCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 7a_200000373141_100000212216 [0,2,0,0,0,0|1,0,0]=3 450 B21R2.28195 CSCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 34a_200000373149_100000212216 [0,2,0,0,0,0|1,0,0]=3 451 B21R2.28195 CSCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 7a_200000373149_100000212216 [0,2,0,0,0,0|1,0,0]=3 452 B21R2.28195 FCCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 34a_200000373141_100011934791 [0,2,0,0,0,0|2,0,0]=4 453 B21R2.28195 FCCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 7a_200000373141_100011934791 [0,2,0,0,0,0|2,0,0]=4 454 B21R2.28195 FCCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 34a_200000373149_100011934791 [0,2,0,0,0,0|2,0,0]=4 455 B21R2.28195 FCCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 7a_200000373149_100011934791 [0,2,0,0,0,0|2,0,0]=4 456 B21R2.28195 N#CCCOC(c1ccc(cc1)Br)c2cccc(c2)F 7a_200000373125_100000184422 [0,2,0,0,0,0|2,0,0]=4 457 B21R2.28195 N#CCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 7a_200000373141_100000184422 [0,2,0,0,0,0|2,0,0]=4 458 B21R2.28195 N#CCCOC(c1ccc(cc1)F)c2cccc(c2)Br 7a_200000373208_100000184422 [0,2,0,0,0,0|2,0,0]=4 459 B21R2.28195 N#CCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 7a_200000373149_100000184422 [0,2,0,0,0,0|2,0,0]=4 460 B21R2.28195 OCCCOC(c1ccc(cc1)Br)c2cccc(c2)F 34a_200000373125_100000230001 [0,2,0,0,0,0|2,0,0]=4 461 B21R2.28195 OCCCOC(c1ccc(cc1)Br)c2cccc(c2)F 7a_200000373125_100011215043 [0,2,0,0,0,0|2,0,0]=4 462 B21R2.28195 OCCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 34a_200000373141_100000230001 [0,2,0,0,0,0|2,0,0]=4 463 B21R2.28195 OCCCOC(c1ccc(cc1)Cl)c2cccc(c2)F 7a_200000373141_100011215043 [0,2,0,0,0,0|2,0,0]=4 464 B21R2.28195 OCCCOC(c1ccc(cc1)F)c2cccc(c2)Br 34a_200000373208_100000230001 [0,2,0,0,0,0|2,0,0]=4 465 B21R2.28195 OCCCOC(c1ccc(cc1)F)c2cccc(c2)Br 7a_200000373208_100011215043 [0,2,0,0,0,0|2,0,0]=4 466 B21R2.28195 OCCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 34a_200000373149_100000230001 [0,2,0,0,0,0|2,0,0]=4 467 B21R2.28195 OCCCOC(c1ccc(cc1)F)c2cccc(c2)Cl 7a_200000373149_100011215043 [0,2,0,0,0,0|2,0,0]=4 468 B21R2.28211 C#CCCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100000688953 [0,2,0,0,0,0|1,0,1]=4 469 B21R2.28211 C#CCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000688953 [0,2,0,0,0,0|1,0,1]=4 470 B21R2.28211 C/C=C/COC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100102629194 [0,2,0,0,0,0|1,0,1]=4 471 B21R2.28211 C/C=C/COC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100102629194 [0,2,0,0,0,0|1,0,1]=4 472 B21R2.28211 C=CCCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100000754431 [0,2,0,0,0,0|1,0,1]=4 473 B21R2.28211 C=CCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000754431 [0,2,0,0,0,0|1,0,1]=4 474 B21R2.28211 CC#CCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100000748600 [0,2,0,0,0,0|1,0,1]=4 475 B21R2.28211 CC#CCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000748600 [0,2,0,0,0,0|1,0,1]=4 476 B21R2.28211 CC=CCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100000070051 [0,2,0,0,0,0|1,0,1]=4 477 B21R2.28211 CC=CCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000070051 [0,2,0,0,0,0|1,0,1]=4 478 B21R2.28211 CCCCNC(c1cccc(c1)F)c2cccc(c2)F 270004a_100000102301_100011215574 [0,2,0,0,0,0|2,0,0]=4 479 B21R2.28211 CCCCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100000210210 [0,2,0,0,0,0|1,0,0]=3 480 B21R2.28211 CCCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000210211 [0,2,0,0,0,0|1,0,0]=3 481 B21R2.28211 COCCNC(c1cccc(c1)Br)c2cccc(c2)Br 270004a_100000209980_100010704256 [0,2,0,0,0,0|2,0,0]=4 482 B21R2.28211 COCCNC(c1cccc(c1)Cl)c2cccc(c2)Cl 270004a_100000209980_200011553226 [0,2,0,0,0,0|2,0,0]=4 483 B21R2.28211 COCCNC(c1cccc(c1)F)c2cccc(c2)Br 270004a_100000209980_100000687359 [0,2,0,0,0,0|2,0,0]=4 484 B21R2.28211 COCCNC(c1cccc(c1)F)c2cccc(c2)F 270004a_100000209980_100011215574 [0,2,0,0,0,0|2,0,0]=4 485 B21R2.28211 COCCOC(c1cccc(c1)Cl)c2cccc(c2)Cl 34a_200005570840_100011201679 [0,2,0,0,0,0|1,0,0]=3 486 B21R2.28211 COCCOC(c1cccc(c1)Cl)c2cccc(c2)Cl 7a_200005570840_100000233755 [0,2,0,0,0,0|1,0,0]=3 487 B21R2.28211 COCCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100011201679 [0,2,0,0,0,0|1,0,0]=3 488 B21R2.28211 COCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000233755 [0,2,0,0,0,0|1,0,0]=3 489 B21R2.28211 CSCCNC(c1cccc(c1)F)c2cccc(c2)Br 270004a_100020590264_100000687359 [0,2,0,0,0,0|2,0,0]=4 490 B21R2.28211 CSCCNC(c1cccc(c1)F)c2cccc(c2)F 270004a_100020590264_100011215574 [0,2,0,0,0,0|2,0,0]=4 491 B21R2.28211 CSCCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100000212216 [0,2,0,0,0,0|1,0,0]=3 492 B21R2.28211 CSCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000212216 [0,2,0,0,0,0|1,0,0]=3 493 B21R2.28211 FCCCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100011934791 [0,2,0,0,0,0|2,0,0]=4 494 B21R2.28211 FCCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100011934791 [0,2,0,0,0,0|2,0,0]=4 495 B21R2.28211 N#CCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100000184422 [0,2,0,0,0,0|2,0,0]=4 496 B21R2.28211 OCCCOC(c1cccc(c1)Cl)c2cccc(c2)Cl 34a_200005570840_100000230001 [0,2,0,0,0,0|2,0,0]=4 497 B21R2.28211 OCCCOC(c1cccc(c1)Cl)c2cccc(c2)Cl 7a_200005570840_100011215043 [0,2,0,0,0,0|2,0,0]=4 498 B21R2.28211 OCCCOC(c1cccc(c1)F)c2cccc(c2)F 34a_200000373135_100000230001 [0,2,0,0,0,0|2,0,0]=4 499 B21R2.28211 OCCCOC(c1cccc(c1)F)c2cccc(c2)F 7a_200000373135_100011215043 [0,2,0,0,0,0|2,0,0]=4 500 B21R2.103739 C=C(C)CCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000730704 [0,2,0,0,0,0|2,0,0]=4 501 B21R2.103739 C=C(C)CCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000730704 [0,2,0,0,0,0|2,0,0]=4 502 B21R2.103739 C=C(C)CCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000730704 [0,2,0,0,0,0|2,0,0]=4 503 B21R2.103739 C=C(C)CCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000730704 [0,2,0,0,0,0|2,0,0]=4 504 B21R2.103739 C=C(C)CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000730704 [0,2,0,0,0,0|1,0,0]=3 505 B21R2.103739 C=C(C)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000730704 [0,2,0,0,0,0|1,0,0]=3 506 B21R2.103739 CC(=CCOC(c1ccccc1)c2cccc(c2)F)C 34a_100000749007_100000761012 [0,2,0,0,0,0|1,0,1]=4 507 B21R2.103739 CC(=CCOC(c1ccccc1)c2cccc(c2)F)C 7a_100000749007_100000761012 [0,2,0,0,0,0|1,0,1]=4 508 B21R2.103739 CC(=O)CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000053229 [0,2,0,0,0,0|1,0,0]=3 509 B21R2.103739 CC(=O)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000053229 [0,2,0,0,0,0|1,0,0]=3 510 B21R2.103739 CC(=O)OCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100009813279 [0,2,0,0,0,0|2,0,0]=4 511 B21R2.103739 CC(=O)OCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100009813279 [0,2,0,0,0,0|2,0,0]=4 512 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210312 [0,2,0,0,0,0|2,0,0]=4 513 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 269862a_100000686443_100000185833 [0,2,0,0,0,0|2,0,0]=4 514 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 270004a_100000210545_200011219850 [0,2,0,0,0,0|2,0,0]=4 515 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000210312 [0,2,0,0,0,0|2,0,0]=4 516 B21R2.103739 CC(C)CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000210312 [0,2,0,0,0,0|1,0,0]=3 517 B21R2.103739 CC(C)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000210626 [0,2,0,0,0,0|1,0,0]=3 518 B21R2.103739 CC(C)OCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000709892 [0,2,0,0,0,0|2,0,0]=4 519 B21R2.103739 CC(C)OCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000709892 [0,2,0,0,0,0|2,0,0]=4 520 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100012276601 [0,2,0,0,0,0|2,0,0]=4 521 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)Br 270004a_200000755665_100011267660 [0,2,0,0,0,0|2,0,0]=4 522 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100012276601 [0,2,0,0,0,0|2,0,0]=4 523 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100012276601 [0,2,0,0,0,0|2,0,0]=4 524 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)Cl 270004a_200000755665_100011215489 [0,2,0,0,0,0|2,0,0]=4 525 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100012276601 [0,2,0,0,0,0|2,0,0]=4 526 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100012276601 [0,2,0,0,0,0|2,0,0]=4 527 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)F 270004a_200000755665_200011219850 [0,2,0,0,0,0|2,0,0]=4 528 B21R2.103739 CC(O)CCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100012276601 [0,2,0,0,0,0|2,0,0]=4 529 B21R2.103739 CC(O)CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100012276601 [0,2,0,0,0,0|1,0,0]=3 530 B21R2.103739 CC(O)CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100012276601 [0,2,0,0,0,0|1,0,0]=3 531 B21R2.103739 CC(O)CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100012276601 [0,2,0,0,0,0|1,0,0]=3 532 B21R2.103739 CC(O)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100012276601 [0,2,0,0,0,0|1,0,0]=3 533 B21R2.103739 CN(C)CCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000210585_100000688346 [0,2,0,0,0,0|2,0,0]=4 534 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000210585_100011267660 [0,2,0,0,0,0|1,0,0]=3 535 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000210585_100011215489 [0,2,0,0,0,0|1,0,0]=3 536 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cccc(c2)F 270004a_100000210585_200011219850 [0,2,0,0,0,0|1,0,0]=3 537 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cncc(c2)Br 270004a_100000210585_100011267668 [0,2,0,0,0,0|2,0,0]=4 538 B21R2.103739 CN(C)CCNC(c1cccnc1)c2cccc(c2)Cl 270004a_100000210585_100000752423 [0,2,0,0,0,0|2,0,0]=4 539 B21R2.103739 CN(C)CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000755713 [0,2,0,0,0,0|0,0,0]=2 540 B21R2.103739 CN(C)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000755713 [0,2,0,0,0,0|0,0,0]=2 541 B21R2.103739 Cc1cccc(c1)C(NCCC(C)C)c2ccccc2 270004a_100000210545_100011217825 [0,2,0,0,0,0|2,0,0]=4 542 B21R2.103739 Cc1cccc(c1)C(NCCC(C)O)c2ccccc2 270004a_200000755665_100011217825 [0,2,0,0,0,0|2,0,0]=4 543 B21R2.103739 Cc1cccc(c1)C(NCCN(C)C)c2ccccc2 270004a_100000210585_100011217825 [0,2,0,0,0,0|1,0,0]=3 544 B21R2.103739 NC(=O)CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000731001 [0,2,0,0,0,0|2,0,0]=4 545 B21R2.103739 NC(=O)CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000744528 [0,2,0,0,0,0|2,0,0]=4 546 B21R2.103739 NC(=O)CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000731001 [0,2,0,0,0,0|2,0,0]=4 547 B21R2.103739 NC(=O)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000744528 [0,2,0,0,0,0|2,0,0]=4 548 B21R2.2399822 CCCCNC(c1cccc(c1)F)c2ccccc2F 270004a_100000102301_100011218100 [0,2,0,0,0,0|2,0,0]=4 549 B21R2.2399822 COCCNC(c1cccc(c1)Br)c2ccccc2I 270004a_100000209980_100010004308 [0,2,0,0,0,0|2,0,0]=4 550 B21R2.2399822 COCCNC(c1cccc(c1)Cl)c2ccccc2Cl 270004a_100000209980_200011400552 [0,2,0,0,0,0|2,0,0]=4 551 B21R2.2399822 COCCNC(c1cccc(c1)F)c2ccccc2F 270004a_100000209980_100011218100 [0,2,0,0,0,0|2,0,0]=4 552 B21R2.2399822 CSCCNC(c1cccc(c1)F)c2ccccc2F 270004a_100020590264_100011218100 [0,2,0,0,0,0|2,0,0]=4 553 B21R2.7035113 C#CCCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100000688953 [0,2,0,0,0,0|1,0,1]=4 554 B21R2.7035113 C#CCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000688953 [0,2,0,0,0,0|1,0,1]=4 555 B21R2.7035113 C/C=C/COC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100102629194 [0,2,0,0,0,0|1,0,1]=4 556 B21R2.7035113 C/C=C/COC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100102629194 [0,2,0,0,0,0|1,0,1]=4 557 B21R2.7035113 C=CCCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100000754431 [0,2,0,0,0,0|1,0,1]=4 558 B21R2.7035113 C=CCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000754431 [0,2,0,0,0,0|1,0,1]=4 559 B21R2.7035113 CC#CCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100000748600 [0,2,0,0,0,0|1,0,1]=4 560 B21R2.7035113 CC#CCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000748600 [0,2,0,0,0,0|1,0,1]=4 561 B21R2.7035113 CC=CCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100000070051 [0,2,0,0,0,0|1,0,1]=4 562 B21R2.7035113 CC=CCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000070051 [0,2,0,0,0,0|1,0,1]=4 563 B21R2.7035113 CCCCNC(c1ccccc1)c2cc(cc(c2)F)F 270004a_100000102301_100011218726 [0,2,0,0,0,0|2,0,0]=4 564 B21R2.7035113 CCCCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100000210210 [0,2,0,0,0,0|1,0,0]=3 565 B21R2.7035113 CCCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000210211 [0,2,0,0,0,0|1,0,0]=3 566 B21R2.7035113 COCCNC(c1ccccc1)c2cc(cc(c2)F)F 270004a_100000209980_100011218726 [0,2,0,0,0,0|2,0,0]=4 567 B21R2.7035113 COCCOC(c1ccccc1)c2cc(cc(c2)Cl)Cl 34a_200005489336_100011201679 [0,2,0,0,0,0|1,0,0]=3 568 B21R2.7035113 COCCOC(c1ccccc1)c2cc(cc(c2)Cl)Cl 7a_200005489336_100000233755 [0,2,0,0,0,0|1,0,0]=3 569 B21R2.7035113 COCCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100011201679 [0,2,0,0,0,0|1,0,0]=3 570 B21R2.7035113 COCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000233755 [0,2,0,0,0,0|1,0,0]=3 571 B21R2.7035113 CSCCNC(c1ccccc1)c2cc(cc(c2)F)F 270004a_100020590264_100011218726 [0,2,0,0,0,0|2,0,0]=4 572 B21R2.7035113 CSCCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100000212216 [0,2,0,0,0,0|1,0,0]=3 573 B21R2.7035113 CSCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000212216 [0,2,0,0,0,0|1,0,0]=3 574 B21R2.7035113 FCCCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100011934791 [0,2,0,0,0,0|2,0,0]=4 575 B21R2.7035113 FCCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100011934791 [0,2,0,0,0,0|2,0,0]=4 576 B21R2.7035113 N#CCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100000184422 [0,2,0,0,0,0|2,0,0]=4 577 B21R2.7035113 OCCCOC(c1ccccc1)c2cc(cc(c2)Cl)Cl 34a_200005489336_100000230001 [0,2,0,0,0,0|2,0,0]=4 578 B21R2.7035113 OCCCOC(c1ccccc1)c2cc(cc(c2)Cl)Cl 7a_200005489336_100011215043 [0,2,0,0,0,0|2,0,0]=4 579 B21R2.7035113 OCCCOC(c1ccccc1)c2cc(cc(c2)F)F 34a_200005489329_100000230001 [0,2,0,0,0,0|2,0,0]=4 580 B21R2.7035113 OCCCOC(c1ccccc1)c2cc(cc(c2)F)F 7a_200005489329_100011215043 [0,2,0,0,0,0|2,0,0]=4 581 B21R2.2474 C#CCCOC(c1ccc(cc1)C)c2ccc(cc2)C 34a_100000297768_100000688953 [0,2,0,0,0,0|1,0,1]=4 582 B21R2.2474 C#CCCOC(c1ccc(cc1)C)c2ccc(cc2)C 7a_100000297768_100000688953 [0,2,0,0,0,0|1,0,1]=4 583 B21R2.2474 C#CCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000373138_100000688953 [0,2,0,0,0,0|1,0,1]=4 584 B21R2.2474 C#CCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 7a_100000373138_100000688953 [0,2,0,0,0,0|1,0,1]=4 585 B21R2.2474 C#CCCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100000688953 [0,2,0,0,0,0|1,0,1]=4 586 B21R2.2474 C#CCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000688953 [0,2,0,0,0,0|1,0,1]=4 587 B21R2.2474 C/C=C/COC(c1ccc(cc1)C)c2ccc(cc2)C 34a_100000297768_100102629194 [0,2,0,0,0,0|1,0,1]=4 588 B21R2.2474 C/C=C/COC(c1ccc(cc1)C)c2ccc(cc2)C 7a_100000297768_100102629194 [0,2,0,0,0,0|1,0,1]=4 589 B21R2.2474 C/C=C/COC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100102629194 [0,2,0,0,0,0|1,0,1]=4 590 B21R2.2474 C/C=C/COC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100102629194 [0,2,0,0,0,0|1,0,1]=4 591 B21R2.2474 C=CCCOC(c1ccc(cc1)C)c2ccc(cc2)C 34a_100000297768_100000754431 [0,2,0,0,0,0|1,0,1]=4 592 B21R2.2474 C=CCCOC(c1ccc(cc1)C)c2ccc(cc2)C 7a_100000297768_100000754431 [0,2,0,0,0,0|1,0,1]=4 593 B21R2.2474 C=CCCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100000754431 [0,2,0,0,0,0|1,0,1]=4 594 B21R2.2474 C=CCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000754431 [0,2,0,0,0,0|1,0,1]=4 595 B21R2.2474 CC#CCOC(c1ccc(cc1)C)c2ccc(cc2)C 34a_100000297768_100000748600 [0,2,0,0,0,0|1,0,1]=4 596 B21R2.2474 CC#CCOC(c1ccc(cc1)C)c2ccc(cc2)C 7a_100000297768_100000748600 [0,2,0,0,0,0|1,0,1]=4 597 B21R2.2474 CC#CCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000373138_100000748600 [0,2,0,0,0,0|1,0,1]=4 598 B21R2.2474 CC#CCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 7a_100000373138_100000748600 [0,2,0,0,0,0|1,0,1]=4 599 B21R2.2474 CC#CCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100000748600 [0,2,0,0,0,0|1,0,1]=4 600 B21R2.2474 CC#CCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000748600 [0,2,0,0,0,0|1,0,1]=4 601 B21R2.2474 CC=CCOC(c1ccc(cc1)C)c2ccc(cc2)C 34a_100000297768_100000070051 [0,2,0,0,0,0|1,0,1]=4 602 B21R2.2474 CC=CCOC(c1ccc(cc1)C)c2ccc(cc2)C 7a_100000297768_100000070051 [0,2,0,0,0,0|1,0,1]=4 603 B21R2.2474 CC=CCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100000070051 [0,2,0,0,0,0|1,0,1]=4 604 B21R2.2474 CC=CCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000070051 [0,2,0,0,0,0|1,0,1]=4 605 B21R2.2474 CCCCNC(c1ccc(cc1)C)c2ccc(cc2)C 270004a_100000102301_100000181741 [0,2,0,0,0,0|2,0,0]=4 606 B21R2.2474 CCCCNC(c1ccc(cc1)F)c2ccc(cc2)F 2230a_100000102301_100000211696 [0,2,0,0,0,0|2,0,0]=4 607 B21R2.2474 CCCCNC(c1ccc(cc1)F)c2ccc(cc2)F 2230a_100000743883_100000210211 [0,2,0,0,0,0|2,0,0]=4 608 B21R2.2474 CCCCNC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000743883_100000210210 [0,2,0,0,0,0|2,0,0]=4 609 B21R2.2474 CCCCNC(c1ccc(cc1)F)c2ccc(cc2)F 7a_106832991798_100000211696 [0,2,0,0,0,0|2,0,0]=4 610 B21R2.2474 CCCCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100000210210 [0,2,0,0,0,0|1,0,0]=3 611 B21R2.2474 CCCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000210227_100000211696 [0,2,0,0,0,0|1,0,0]=3 612 B21R2.2474 CCCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000210211 [0,2,0,0,0,0|1,0,0]=3 613 B21R2.2474 CNCCCC(c1ccc(cc1)F)c2ccc(cc2)F 2230a_106832991635_100000073256 [0,2,0,0,0,0|1,0,0]=3 614 B21R2.2474 CNCCCC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100102657272_100000073256 [0,2,0,0,0,0|1,0,0]=3 615 B21R2.2474 CNCCCC(c1ccc(cc1)F)c2ccc(cc2)F 7a_106832991635_100000073256 [0,2,0,0,0,0|1,0,0]=3 616 B21R2.2474 COCCCC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100138415774_100000073256 [0,2,0,0,0,0|2,0,0]=4 617 B21R2.2474 COCCNC(c1ccc(cc1)Br)c2ccc(cc2)Br 270004a_100000209980_100011219889 [0,2,0,0,0,0|2,0,0]=4 618 B21R2.2474 COCCNC(c1ccc(cc1)C)c2ccc(cc2)C 270004a_100000209980_100000181741 [0,2,0,0,0,0|2,0,0]=4 619 B21R2.2474 COCCNC(c1ccc(cc1)C)c2ccc(cc2)Cl 270004a_100000209980_100011267710 [0,2,0,0,0,0|2,0,0]=4 620 B21R2.2474 COCCNC(c1ccc(cc1)Cl)c2ccc(cc2)Br 270004a_100000209980_100011267714 [0,2,0,0,0,0|2,0,0]=4 621 B21R2.2474 COCCNC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 2230a_100000209980_100000230178 [0,2,0,0,0,0|2,0,0]=4 622 B21R2.2474 COCCNC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 270004a_100000209980_100000297488 [0,2,0,0,0,0|2,0,0]=4 623 B21R2.2474 COCCNC(c1ccc(cc1)F)c2ccc(cc2)Br 270004a_100000209980_200011267496 [0,2,0,0,0,0|2,0,0]=4 624 B21R2.2474 COCCNC(c1ccc(cc1)F)c2ccc(cc2)F 2230a_100000209980_100000211696 [0,2,0,0,0,0|2,0,0]=4 625 B21R2.2474 COCCNC(c1ccc(cc1)F)c2ccc(cc2)F 2230a_100000743883_100011201679 [0,2,0,0,0,0|2,0,0]=4 626 B21R2.2474 COCCNC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000743883_100011201679 [0,2,0,0,0,0|2,0,0]=4 627 B21R2.2474 COCCOC(c1ccc(cc1)C)c2ccc(cc2)C 34a_100000297768_100011201679 [0,2,0,0,0,0|1,0,0]=3 628 B21R2.2474 COCCOC(c1ccc(cc1)C)c2ccc(cc2)C 7a_100000297768_100000233755 [0,2,0,0,0,0|1,0,0]=3 629 B21R2.2474 COCCOC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 34a_100000272391_100011201679 [0,2,0,0,0,0|1,0,0]=3 630 B21R2.2474 COCCOC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 7a_100000272391_100000233755 [0,2,0,0,0,0|1,0,0]=3 631 B21R2.2474 COCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000373138_100011201679 [0,2,0,0,0,0|1,0,0]=3 632 B21R2.2474 COCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 7a_100000373138_100000233755 [0,2,0,0,0,0|1,0,0]=3 633 B21R2.2474 COCCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100011201679 [0,2,0,0,0,0|1,0,0]=3 634 B21R2.2474 COCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000233755 [0,2,0,0,0,0|1,0,0]=3 635 B21R2.2474 COCCSC(c1ccc(cc1)F)c2ccc(cc2)F 62a_100000211696_100000233755 [0,2,0,0,0,0|1,1,0]=4 636 B21R2.2474 COCCSC(c1ccc(cc1)F)c2ccc(cc2)F 62a_100000233755_100000211696 [0,2,0,0,0,0|1,1,0]=4 637 B21R2.2474 CSCCNC(c1ccc(cc1)C)c2ccc(cc2)C 270004a_100020590264_100000181741 [0,2,0,0,0,0|2,0,0]=4 638 B21R2.2474 CSCCNC(c1ccc(cc1)C)c2ccc(cc2)Cl 270004a_100020590264_100011267710 [0,2,0,0,0,0|2,0,0]=4 639 B21R2.2474 CSCCNC(c1ccc(cc1)F)c2ccc(cc2)Br 270004a_100020590264_200011267496 [0,2,0,0,0,0|2,0,0]=4 640 B21R2.2474 CSCCNC(c1ccc(cc1)F)c2ccc(cc2)F 2230a_100000743883_100000751147 [0,2,0,0,0,0|2,0,0]=4 641 B21R2.2474 CSCCNC(c1ccc(cc1)F)c2ccc(cc2)F 2230a_100020590264_100000211696 [0,2,0,0,0,0|2,0,0]=4 642 B21R2.2474 CSCCNC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000743883_100000212216 [0,2,0,0,0,0|2,0,0]=4 643 B21R2.2474 CSCCOC(c1ccc(cc1)C)c2ccc(cc2)C 34a_100000297768_100000212216 [0,2,0,0,0,0|1,0,0]=3 644 B21R2.2474 CSCCOC(c1ccc(cc1)C)c2ccc(cc2)C 7a_100000297768_100000212216 [0,2,0,0,0,0|1,0,0]=3 645 B21R2.2474 CSCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000373138_100000212216 [0,2,0,0,0,0|1,0,0]=3 646 B21R2.2474 CSCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 7a_100000373138_100000212216 [0,2,0,0,0,0|1,0,0]=3 647 B21R2.2474 CSCCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100000212216 [0,2,0,0,0,0|1,0,0]=3 648 B21R2.2474 CSCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000230434_100000211696 [0,2,0,0,0,0|1,0,0]=3 649 B21R2.2474 CSCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000212216 [0,2,0,0,0,0|1,0,0]=3 650 B21R2.2474 Cc1ccc(cc1)C(OCCC#N)c2ccc(cc2)C 7a_100000297768_100000184422 [0,2,0,0,0,0|2,0,0]=4 651 B21R2.2474 Cc1ccc(cc1)C(OCCCF)c2ccc(cc2)C 34a_100000297768_100011934791 [0,2,0,0,0,0|2,0,0]=4 652 B21R2.2474 Cc1ccc(cc1)C(OCCCF)c2ccc(cc2)C 7a_100000297768_100011934791 [0,2,0,0,0,0|2,0,0]=4 653 B21R2.2474 Cc1ccc(cc1)C(OCCCO)c2ccc(cc2)C 34a_100000297768_100000230001 [0,2,0,0,0,0|2,0,0]=4 654 B21R2.2474 Cc1ccc(cc1)C(OCCCO)c2ccc(cc2)C 7a_100000297768_100011215043 [0,2,0,0,0,0|2,0,0]=4 655 B21R2.2474 FCCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000373138_100011934791 [0,2,0,0,0,0|2,0,0]=4 656 B21R2.2474 FCCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 7a_100000373138_100011934791 [0,2,0,0,0,0|2,0,0]=4 657 B21R2.2474 FCCCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100011934791 [0,2,0,0,0,0|2,0,0]=4 658 B21R2.2474 FCCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100011934791 [0,2,0,0,0,0|2,0,0]=4 659 B21R2.2474 N#CCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 7a_100000373138_100000184422 [0,2,0,0,0,0|2,0,0]=4 660 B21R2.2474 N#CCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100000184422 [0,2,0,0,0,0|2,0,0]=4 661 B21R2.2474 OCCCOC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 34a_100000272391_100000230001 [0,2,0,0,0,0|2,0,0]=4 662 B21R2.2474 OCCCOC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 7a_100000272391_100011215043 [0,2,0,0,0,0|2,0,0]=4 663 B21R2.2474 OCCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000373138_100000230001 [0,2,0,0,0,0|2,0,0]=4 664 B21R2.2474 OCCCOC(c1ccc(cc1)F)c2ccc(cc2)Cl 7a_100000373138_100011215043 [0,2,0,0,0,0|2,0,0]=4 665 B21R2.2474 OCCCOC(c1ccc(cc1)F)c2ccc(cc2)F 34a_100000272419_100000230001 [0,2,0,0,0,0|2,0,0]=4 666 B21R2.2474 OCCCOC(c1ccc(cc1)F)c2ccc(cc2)F 7a_100000272419_100011215043 [0,2,0,0,0,0|2,0,0]=4 667 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000695029 [0,2,0,0,0,0|1,0,1]=4 668 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011215417 [0,2,0,0,0,0|1,0,1]=4 669 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000695029 [0,2,0,0,0,0|1,0,1]=4 670 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100011215417 [0,2,0,0,0,0|1,0,1]=4 671 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000695029 [0,2,0,0,0,0|1,0,1]=4 672 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011215417 [0,2,0,0,0,0|1,0,1]=4 673 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000215630_100000211669 [0,2,0,0,0,0|1,0,1]=4 674 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000695029 [0,2,0,0,0,0|1,0,1]=4 675 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011215417 [0,2,0,0,0,0|1,0,1]=4 676 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000695029 [0,2,0,0,0,0|1,0,1]=4 677 B21R2.4194 C#CCCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100011215417 [0,2,0,0,0,0|1,0,1]=4 678 B21R2.4194 C=CCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000757094 [0,2,0,0,0,0|1,0,1]=4 679 B21R2.4194 C=CCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000757094 [0,2,0,0,0,0|1,0,1]=4 680 B21R2.4194 C=CCCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000757094 [0,2,0,0,0,0|1,0,1]=4 681 B21R2.4194 C=CCCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000757094 [0,2,0,0,0,0|1,0,1]=4 682 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000039644 [0,2,0,0,0,0|1,0,1]=4 683 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000039644 [0,2,0,0,0,0|1,0,1]=4 684 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000039644 [0,2,0,0,0,0|1,0,1]=4 685 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000039644 [0,2,0,0,0,0|1,0,1]=4 686 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000039644 [0,2,0,0,0,0|1,0,1]=4 687 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000039644 [0,2,0,0,0,0|1,0,1]=4 688 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000039644 [0,2,0,0,0,0|1,0,1]=4 689 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000039644 [0,2,0,0,0,0|1,0,1]=4 690 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000039644 [0,2,0,0,0,0|1,0,1]=4 691 B21R2.4194 C=COCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000039644 [0,2,0,0,0,0|1,0,1]=4 692 B21R2.4194 CC/C=C\COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100103147603 [0,2,0,0,0,0|1,0,1]=4 693 B21R2.4194 CC/C=C\COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100103147603 [0,2,0,0,0,0|1,0,1]=4 694 B21R2.4194 CC/C=C\COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100103147603 [0,2,0,0,0,0|1,0,1]=4 695 B21R2.4194 CC/C=C\COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100103147603 [0,2,0,0,0,0|1,0,1]=4 696 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100009813939 [0,2,0,0,0,0|1,0,1]=4 697 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100009813939 [0,2,0,0,0,0|1,0,1]=4 698 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100009813939 [0,2,0,0,0,0|1,0,1]=4 699 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100009813939 [0,2,0,0,0,0|1,0,1]=4 700 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100009813939 [0,2,0,0,0,0|1,0,1]=4 701 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100009813939 [0,2,0,0,0,0|1,0,1]=4 702 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100009813939 [0,2,0,0,0,0|1,0,1]=4 703 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100009813939 [0,2,0,0,0,0|1,0,1]=4 704 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100009813939 [0,2,0,0,0,0|1,0,1]=4 705 B21R2.4194 CCC#CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100009813939 [0,2,0,0,0,0|1,0,1]=4 706 B21R2.4194 CCCCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000210326 [0,2,0,0,0,0|2,0,0]=4 707 B21R2.4194 CCCCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100000209983_100000210966 [0,2,0,0,0,0|2,0,0]=4 708 B21R2.4194 CCCCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000718602 [0,2,0,0,0,0|2,0,0]=4 709 B21R2.4194 CCCCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210326 [0,2,0,0,0,0|2,0,0]=4 710 B21R2.4194 CCCCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000209983_100000210425 [0,2,0,0,0,0|2,0,0]=4 711 B21R2.4194 CCCCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000718602 [0,2,0,0,0,0|2,0,0]=4 712 B21R2.4194 CCCCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000718602 [0,2,0,0,0,0|2,0,0]=4 713 B21R2.4194 CCCCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000718602 [0,2,0,0,0,0|1,0,0]=3 714 B21R2.4194 CCCCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210326 [0,2,0,0,0,0|1,0,0]=3 715 B21R2.4194 CCCCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000718602 [0,2,0,0,0,0|2,0,0]=4 716 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100011215890 [0,2,0,0,0,0|2,0,0]=4 717 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_102516460346_100000718703 [0,2,0,0,0,0|2,0,0]=4 718 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000210147 [0,2,0,0,0,0|2,0,0]=4 719 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100011215890 [0,2,0,0,0,0|2,0,0]=4 720 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)C 270004a_102516460346_100000210966 [0,2,0,0,0,0|2,0,0]=4 721 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000210147 [0,2,0,0,0,0|2,0,0]=4 722 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011215890 [0,2,0,0,0,0|2,0,0]=4 723 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_102516460346_100000211669 [0,2,0,0,0,0|2,0,0]=4 724 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_102516460346_100000211064 [0,2,0,0,0,0|2,0,0]=4 725 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000210147 [0,2,0,0,0,0|2,0,0]=4 726 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100011215890 [0,2,0,0,0,0|2,0,0]=4 727 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)F 270004a_102516460346_100000210425 [0,2,0,0,0,0|2,0,0]=4 728 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000210147 [0,2,0,0,0,0|2,0,0]=4 729 B21R2.4194 CCOCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000210147 [0,2,0,0,0,0|2,0,0]=4 730 B21R2.4194 CCOCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210147 [0,2,0,0,0,0|2,0,0]=4 731 B21R2.4194 CCOCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000210136_200010188304 [0,2,0,0,0,0|2,0,0]=4 732 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000210147 [0,2,0,0,0,0|1,0,0]=3 733 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011215890 [0,2,0,0,0,0|1,0,0]=3 734 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000210147 [0,2,0,0,0,0|1,0,0]=3 735 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100011215890 [0,2,0,0,0,0|1,0,0]=3 736 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000210147 [0,2,0,0,0,0|1,0,0]=3 737 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000210136_100000211669 [0,2,0,0,0,0|1,0,0]=3 738 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011215890 [0,2,0,0,0,0|1,0,0]=3 739 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000210147 [0,2,0,0,0,0|1,0,0]=3 740 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011215890 [0,2,0,0,0,0|1,0,0]=3 741 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210147 [0,2,0,0,0,0|1,0,0]=3 742 B21R2.4194 CCOCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100011215890 [0,2,0,0,0,0|1,0,0]=3 743 B21R2.4194 CCOCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000210147 [0,2,0,0,0,0|2,0,0]=4 744 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000757381 [0,2,0,0,0,0|2,0,0]=4 745 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000106463_100000718703 [0,2,0,0,0,0|2,0,0]=4 746 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000757381 [0,2,0,0,0,0|2,0,0]=4 747 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000757381 [0,2,0,0,0,0|2,0,0]=4 748 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100000106463_100000210966 [0,2,0,0,0,0|2,0,0]=4 749 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000757381 [0,2,0,0,0,0|2,0,0]=4 750 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000106463_100000211669 [0,2,0,0,0,0|2,0,0]=4 751 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000757381 [0,2,0,0,0,0|2,0,0]=4 752 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000106463_100000211064 [0,2,0,0,0,0|2,0,0]=4 753 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000757381 [0,2,0,0,0,0|2,0,0]=4 754 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000757381 [0,2,0,0,0,0|2,0,0]=4 755 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000106463_100000210425 [0,2,0,0,0,0|2,0,0]=4 756 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000757381 [0,2,0,0,0,0|2,0,0]=4 757 B21R2.4194 CCSCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000757381 [0,2,0,0,0,0|2,0,0]=4 758 B21R2.4194 CCSCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000757381 [0,2,0,0,0,0|2,0,0]=4 759 B21R2.4194 CCSCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000212035_200010188304 [0,2,0,0,0,0|2,0,0]=4 760 B21R2.4194 CCSCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000757381 [0,2,0,0,0,0|1,0,0]=3 761 B21R2.4194 CCSCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000757381 [0,2,0,0,0,0|1,0,0]=3 762 B21R2.4194 CCSCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000757381 [0,2,0,0,0,0|1,0,0]=3 763 B21R2.4194 CCSCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000757381 [0,2,0,0,0,0|1,0,0]=3 764 B21R2.4194 CCSCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000757381 [0,2,0,0,0,0|1,0,0]=3 765 B21R2.4194 CCSCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000757381 [0,2,0,0,0,0|1,0,0]=3 766 B21R2.4194 CCSCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000757381 [0,2,0,0,0,0|2,0,0]=4 767 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000740836 [0,2,0,0,0,0|2,0,0]=4 768 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100150723488_100000718703 [0,2,0,0,0,0|2,0,0]=4 769 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000740836 [0,2,0,0,0,0|2,0,0]=4 770 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000740836 [0,2,0,0,0,0|2,0,0]=4 771 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100150723488_100000210966 [0,2,0,0,0,0|2,0,0]=4 772 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000740836 [0,2,0,0,0,0|2,0,0]=4 773 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000740836 [0,2,0,0,0,0|2,0,0]=4 774 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100150723488_100000211064 [0,2,0,0,0,0|2,0,0]=4 775 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000740836 [0,2,0,0,0,0|2,0,0]=4 776 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000740836 [0,2,0,0,0,0|2,0,0]=4 777 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100150723488_100000210425 [0,2,0,0,0,0|2,0,0]=4 778 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000740836 [0,2,0,0,0,0|2,0,0]=4 779 B21R2.4194 COCCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000740836 [0,2,0,0,0,0|2,0,0]=4 780 B21R2.4194 COCCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000740836 [0,2,0,0,0,0|2,0,0]=4 781 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000740836 [0,2,0,0,0,0|1,0,0]=3 782 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000740836 [0,2,0,0,0,0|1,0,0]=3 783 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000740836 [0,2,0,0,0,0|1,0,0]=3 784 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000740836 [0,2,0,0,0,0|1,0,0]=3 785 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000740836 [0,2,0,0,0,0|1,0,0]=3 786 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000740836 [0,2,0,0,0,0|1,0,0]=3 787 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000740836 [0,2,0,0,0,0|1,0,0]=3 788 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000740836 [0,2,0,0,0,0|1,0,0]=3 789 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000740836 [0,2,0,0,0,0|1,0,0]=3 790 B21R2.4194 COCCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000740836 [0,2,0,0,0,0|1,0,0]=3 791 B21R2.4194 COCCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000740836 [0,2,0,0,0,0|2,0,0]=4 792 B21R2.4194 CSCCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000749238_100000718703 [0,2,0,0,0,0|2,0,0]=4 793 B21R2.4194 CSCCCNC(c1ccccc1)c2ccc(cc2)C 270004a_100000749238_100000210966 [0,2,0,0,0,0|2,0,0]=4 794 B21R2.4194 CSCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000749238_100000211669 [0,2,0,0,0,0|2,0,0]=4 795 B21R2.4194 CSCCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000749238_100000211064 [0,2,0,0,0,0|2,0,0]=4 796 B21R2.4194 CSCCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000749238_100000210425 [0,2,0,0,0,0|2,0,0]=4 797 B21R2.4194 CSCCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000690336_200010188304 [0,2,0,0,0,0|2,0,0]=4 798 B21R2.4194 Cc1ccc(cc1)C(NCCCCF)c2ccccc2 2230a_100000736602_100000729493 [0,2,0,0,0,0|2,0,0]=4 799 B21R2.4194 Cc1ccc(cc1)C(NCCCCF)c2ccccc2 34a_100000736602_100000729493 [0,2,0,0,0,0|2,0,0]=4 800 B21R2.4194 Cc1ccc(cc1)C(NCCCCO)c2ccccc2 2230a_100000736602_100000210776 [0,2,0,0,0,0|2,0,0]=4 801 B21R2.4194 Cc1ccc(cc1)C(NCCCCO)c2ccccc2 270004a_100000750430_100000210966 [0,2,0,0,0,0|2,0,0]=4 802 B21R2.4194 Cc1ccc(cc1)C(NCCCCO)c2ccccc2 34a_100000736602_100011216708 [0,2,0,0,0,0|2,0,0]=4 803 B21R2.4194 Cc1ccc(cc1)C(OCC#CCO)c2ccccc2 34a_100000212064_200000047223 [0,2,0,0,0,0|1,0,1]=4 804 B21R2.4194 Cc1ccc(cc1)C(OCC#CCO)c2ccccc2 7a_100000212064_200000047223 [0,2,0,0,0,0|1,0,1]=4 805 B21R2.4194 Cc1ccc(cc1)C(OCCCC#N)c2ccccc2 7a_100000212064_100000687738 [0,2,0,0,0,0|1,0,1]=4 806 B21R2.4194 Cc1ccc(cc1)C(OCCCC=O)c2ccccc2 7a_100000212064_200011292268 [0,2,0,0,0,0|1,0,1]=4 807 B21R2.4194 Cc1ccc(cc1)C(OCCCCF)c2ccccc2 34a_100000212064_100000729493 [0,2,0,0,0,0|1,0,0]=3 808 B21R2.4194 Cc1ccc(cc1)C(OCCCCF)c2ccccc2 7a_100000212064_100000729493 [0,2,0,0,0,0|1,0,0]=3 809 B21R2.4194 Cc1ccc(cc1)C(OCCCCO)c2ccccc2 34a_100000212064_100011216708 [0,2,0,0,0,0|1,0,0]=3 810 B21R2.4194 Cc1ccc(cc1)C(OCCCCO)c2ccccc2 7a_100000212064_100000210776 [0,2,0,0,0,0|1,0,0]=3 811 B21R2.4194 ClCCCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000210776_200010188304 [0,2,0,0,0,0|2,0,0]=4 812 B21R2.4194 FCCCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000729493 [0,2,0,0,0,0|2,0,0]=4 813 B21R2.4194 FCCCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000729493 [0,2,0,0,0,0|2,0,0]=4 814 B21R2.4194 FCCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000729493 [0,2,0,0,0,0|2,0,0]=4 815 B21R2.4194 FCCCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000729493 [0,2,0,0,0,0|2,0,0]=4 816 B21R2.4194 FCCCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000729493 [0,2,0,0,0,0|2,0,0]=4 817 B21R2.4194 FCCCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000729493 [0,2,0,0,0,0|2,0,0]=4 818 B21R2.4194 FCCCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000729493 [0,2,0,0,0,0|2,0,0]=4 819 B21R2.4194 FCCCCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100011995726_200010188304 [0,2,0,0,0,0|2,0,0]=4 820 B21R2.4194 FCCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000729493 [0,2,0,0,0,0|1,0,0]=3 821 B21R2.4194 FCCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000729493 [0,2,0,0,0,0|1,0,0]=3 822 B21R2.4194 FCCCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000729493 [0,2,0,0,0,0|2,0,0]=4 823 B21R2.4194 N#CCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000687738 [0,2,0,0,0,0|1,0,1]=4 824 B21R2.4194 N#CCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000687738 [0,2,0,0,0,0|1,0,1]=4 825 B21R2.4194 N#CCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000687738 [0,2,0,0,0,0|1,0,1]=4 826 B21R2.4194 N#CCCCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000687738 [0,2,0,0,0,0|1,0,1]=4 827 B21R2.4194 Nc1ccc(cc1)C(OCC#CCO)c2ccccc2 34a_100011236343_200000047223 [0,2,0,0,0,0|1,0,1]=4 828 B21R2.4194 Nc1ccc(cc1)C(OCC#CCO)c2ccccc2 7a_100011236343_200000047223 [0,2,0,0,0,0|1,0,1]=4 829 B21R2.4194 Nc1ccc(cc1)C(OCCCC=O)c2ccccc2 7a_100011236343_200011292268 [0,2,0,0,0,0|1,0,1]=4 830 B21R2.4194 Nc1ccc(cc1)C(OCCCCF)c2ccccc2 34a_100011236343_100000729493 [0,2,0,0,0,0|1,0,0]=3 831 B21R2.4194 Nc1ccc(cc1)C(OCCCCF)c2ccccc2 7a_100011236343_100000729493 [0,2,0,0,0,0|1,0,0]=3 832 B21R2.4194 Nc1ccc(cc1)C(OCCCCO)c2ccccc2 34a_100011236343_100011216708 [0,2,0,0,0,0|1,0,0]=3 833 B21R2.4194 Nc1ccc(cc1)C(OCCCCO)c2ccccc2 7a_100011236343_100000210776 [0,2,0,0,0,0|1,0,0]=3 834 B21R2.4194 O=CCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_200011292268 [0,2,0,0,0,0|1,0,1]=4 835 B21R2.4194 O=CCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_200011292268 [0,2,0,0,0,0|1,0,1]=4 836 B21R2.4194 O=CCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_200011292268 [0,2,0,0,0,0|1,0,1]=4 837 B21R2.4194 OCC#CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_200000047223 [0,2,0,0,0,0|1,0,1]=4 838 B21R2.4194 OCC#CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_200000047223 [0,2,0,0,0,0|1,0,1]=4 839 B21R2.4194 OCC#CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_200000047223 [0,2,0,0,0,0|1,0,1]=4 840 B21R2.4194 OCC#CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_200000047223 [0,2,0,0,0,0|1,0,1]=4 841 B21R2.4194 OCC#CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_200000047223 [0,2,0,0,0,0|1,0,1]=4 842 B21R2.4194 OCC#CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_200000047223 [0,2,0,0,0,0|1,0,1]=4 843 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000210776 [0,2,0,0,0,0|2,0,0]=4 844 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000750430_100000718703 [0,2,0,0,0,0|2,0,0]=4 845 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100011216708 [0,2,0,0,0,0|2,0,0]=4 846 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000210776 [0,2,0,0,0,0|2,0,0]=4 847 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000750430_100000211669 [0,2,0,0,0,0|2,0,0]=4 848 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000750430_100000211064 [0,2,0,0,0,0|2,0,0]=4 849 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100011216708 [0,2,0,0,0,0|2,0,0]=4 850 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210776 [0,2,0,0,0,0|2,0,0]=4 851 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000750430_100000210425 [0,2,0,0,0,0|2,0,0]=4 852 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100011216708 [0,2,0,0,0,0|2,0,0]=4 853 B21R2.4194 OCCCCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100011216708 [0,2,0,0,0,0|2,0,0]=4 854 B21R2.4194 OCCCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011216708 [0,2,0,0,0,0|2,0,0]=4 855 B21R2.4194 OCCCCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011216708 [0,2,0,0,0,0|1,0,0]=3 856 B21R2.4194 OCCCCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000210776 [0,2,0,0,0,0|1,0,0]=3 857 B21R2.4194 OCCCCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011216708 [0,2,0,0,0,0|1,0,0]=3 858 B21R2.4194 OCCCCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000210776 [0,2,0,0,0,0|1,0,0]=3 859 B21R2.4194 OCCCCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011216708 [0,2,0,0,0,0|1,0,0]=3 860 B21R2.4194 OCCCCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000210776 [0,2,0,0,0,0|1,0,0]=3 861 B21R2.4194 OCCCCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100011216708 [0,2,0,0,0,0|2,0,0]=4 862 B21R2.4194 OCCCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000210776_100000211669 [0,2,0,0,0,0|1,1,0]=4 863 B21R2.4194 OCCCCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000210776 [0,2,0,0,0,0|1,1,0]=4 864 B21R2.4194 Oc1ccc(cc1)C(NCCCCF)c2ccccc2 34a_100000198503_100000729493 [0,2,0,0,0,0|2,0,0]=4 865 B21R2.5156 CCCCN(C)C(c1ccccc1)c2ccc(cc2)C 270004a_100000207549_100000210966 [0,2,0,0,0,0|2,0,0]=4 866 B21R2.5156 CCCCN(C)C(c1ccccc1)c2ccc(cc2)F 270004a_100000207549_100000210425 [0,2,0,0,0,0|2,0,0]=4 867 B21R2.5156 COCCN(C)C(c1ccccc1)c2ccc(cc2)Br 270004a_100000743101_100000718703 [0,2,0,0,0,0|2,0,0]=4 868 B21R2.5156 COCCN(C)C(c1ccccc1)c2ccc(cc2)C 270004a_100000743101_100000210966 [0,2,0,0,0,0|2,0,0]=4 869 B21R2.5156 COCCN(C)C(c1ccccc1)c2ccc(cc2)Cl 2230a_100000743101_100000211669 [0,2,0,0,0,0|2,0,0]=4 870 B21R2.5156 COCCN(C)C(c1ccccc1)c2ccc(cc2)Cl 269982a_100000743101_100000211669 [0,2,0,0,0,0|2,0,0]=4 871 B21R2.5156 COCCN(C)C(c1ccccc1)c2ccc(cc2)Cl 270004a_100000743101_100000211064 [0,2,0,0,0,0|2,0,0]=4 872 B21R2.5156 COCCN(C)C(c1ccccc1)c2ccc(cc2)F 270004a_100000743101_100000210425 [0,2,0,0,0,0|2,0,0]=4 873 B21R2.5156 CSCCN(C)C(c1ccccc1)c2ccc(cc2)Br 270004a_100000686725_100000718703 [0,2,0,0,0,0|2,0,0]=4 874 B21R2.5156 CSCCN(C)C(c1ccccc1)c2ccc(cc2)C 270004a_100000686725_100000210966 [0,2,0,0,0,0|2,0,0]=4 875 B21R2.5156 CSCCN(C)C(c1ccccc1)c2ccc(cc2)Cl 2230a_100000686725_100000211669 [0,2,0,0,0,0|2,0,0]=4 876 B21R2.5156 CSCCN(C)C(c1ccccc1)c2ccc(cc2)Cl 269982a_100000686725_100000211669 [0,2,0,0,0,0|2,0,0]=4 877 B21R2.5156 CSCCN(C)C(c1ccccc1)c2ccc(cc2)Cl 270004a_100000686725_100000211064 [0,2,0,0,0,0|2,0,0]=4 878 B21R2.5156 CSCCN(C)C(c1ccccc1)c2ccc(cc2)F 270004a_100000686725_100000210425 [0,2,0,0,0,0|2,0,0]=4 879 B21R2.17862 C#CCC(C)OC(c1ccccc1)c2ccc(cc2)Cl 7a_100000685586_100000211669 [0,2,0,0,0,0|1,0,1]=4 880 B21R2.17862 CC(CC#N)OC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100009813641 [0,2,0,0,0,0|2,0,0]=4 881 B21R2.17862 CC(CC#N)OC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100009813641 [0,2,0,0,0,0|2,0,0]=4 882 B21R2.17862 CC(CC#N)OC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100009813641 [0,2,0,0,0,0|2,0,0]=4 883 B21R2.17862 CC(CC#N)OC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100009813641 [0,2,0,0,0,0|2,0,0]=4 884 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100009893172 [0,2,0,0,0,0|2,0,0]=4 885 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100009893172 [0,2,0,0,0,0|2,0,0]=4 886 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100009893172 [0,2,0,0,0,0|2,0,0]=4 887 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100009893172 [0,2,0,0,0,0|2,0,0]=4 888 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100009893172 [0,2,0,0,0,0|2,0,0]=4 889 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100009893172 [0,2,0,0,0,0|2,0,0]=4 890 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100009893172 [0,2,0,0,0,0|2,0,0]=4 891 B21R2.17862 CC(CCO)OC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100009893172 [0,2,0,0,0,0|2,0,0]=4 892 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000766640 [0,2,0,0,0,0|2,0,0]=4 893 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)C 270004a_100000736602_100000211909 [0,2,0,0,0,0|2,0,0]=4 894 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)C 270004a_100000741246_100000210966 [0,2,0,0,0,0|2,0,0]=4 895 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000766640 [0,2,0,0,0,0|2,0,0]=4 896 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000766640 [0,2,0,0,0,0|2,0,0]=4 897 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)F 270004a_100000737529_100000211909 [0,2,0,0,0,0|2,0,0]=4 898 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)F 270004a_100000741246_100000210425 [0,2,0,0,0,0|2,0,0]=4 899 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000766640 [0,2,0,0,0,0|2,0,0]=4 900 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)O 270004a_100000198503_100000211909 [0,2,0,0,0,0|2,0,0]=4 901 B21R2.17862 CCCC(C)NC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000766640 [0,2,0,0,0,0|2,0,0]=4 902 B21R2.17862 CCCC(C)OC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000766640 [0,2,0,0,0,0|1,0,0]=3 903 B21R2.17862 CCCC(C)OC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000766640 [0,2,0,0,0,0|1,0,0]=3 904 B21R2.17862 CCCC(C)OC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000766640 [0,2,0,0,0,0|2,0,0]=4 905 B21R2.17862 CNCC(=O)NC(c1ccccc1)c2ccc(cc2)Cl 2230a_106832991635_100000694294 [0,2,0,0,0,0|1,0,1]=4 906 B21R2.17862 CNCC(=O)NC(c1ccccc1)c2ccc(cc2)Cl 7a_106832991635_100000694294 [0,2,0,0,0,0|1,0,1]=4 907 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000765312 [0,2,0,0,0,0|2,0,0]=4 908 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)Br 270004a_100000745999_100000749346 [0,2,0,0,0,0|2,0,0]=4 909 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000765312 [0,2,0,0,0,0|2,0,0]=4 910 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000765312 [0,2,0,0,0,0|2,0,0]=4 911 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)C 270004a_100000736602_100000749346 [0,2,0,0,0,0|2,0,0]=4 912 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000765312 [0,2,0,0,0,0|2,0,0]=4 913 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000765312 [0,2,0,0,0,0|2,0,0]=4 914 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000737946_100000749346 [0,2,0,0,0,0|2,0,0]=4 915 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000765312 [0,2,0,0,0,0|2,0,0]=4 916 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000765312 [0,2,0,0,0,0|2,0,0]=4 917 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)F 270004a_100000737529_100000749346 [0,2,0,0,0,0|2,0,0]=4 918 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000765312 [0,2,0,0,0,0|2,0,0]=4 919 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)O 270004a_100000198503_100000749346 [0,2,0,0,0,0|2,0,0]=4 920 B21R2.17862 COCC(C)NC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000765312 [0,2,0,0,0,0|2,0,0]=4 921 B21R2.17862 COCC(C)OC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000765312 [0,2,0,0,0,0|2,0,0]=4 922 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000765312 [0,2,0,0,0,0|1,0,0]=3 923 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000765312 [0,2,0,0,0,0|1,0,0]=3 924 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000765312 [0,2,0,0,0,0|1,0,0]=3 925 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000765312 [0,2,0,0,0,0|1,0,0]=3 926 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000765312 [0,2,0,0,0,0|1,0,0]=3 927 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000765312 [0,2,0,0,0,0|1,0,0]=3 928 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000765312 [0,2,0,0,0,0|1,0,0]=3 929 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000765312 [0,2,0,0,0,0|1,0,0]=3 930 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000765312 [0,2,0,0,0,0|1,0,0]=3 931 B21R2.17862 COCC(C)OC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000765312 [0,2,0,0,0,0|1,0,0]=3 932 B21R2.17862 COCC(C)OC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000765312 [0,2,0,0,0,0|2,0,0]=4 933 B21R2.17862 COC[C@@H](C)NC(c1ccccc1)c2ccc(cc2)Br 270004a_100000764878_100000718703 [0,2,0,0,0,0|2,0,0]=4 934 B21R2.17862 COC[C@@H](C)NC(c1ccccc1)c2ccc(cc2)C 270004a_100000764878_100000210966 [0,2,0,0,0,0|2,0,0]=4 935 B21R2.17862 COC[C@@H](C)NC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000764878_100000211669 [0,2,0,0,0,0|2,0,0]=4 936 B21R2.17862 COC[C@@H](C)NC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000764878_100000211064 [0,2,0,0,0,0|2,0,0]=4 937 B21R2.17862 COC[C@@H](C)NC(c1ccccc1)c2ccc(cc2)F 270004a_100000764878_100000210425 [0,2,0,0,0,0|2,0,0]=4 938 B21R2.17862 CSCC(C)NC(c1ccccc1)c2ccc(cc2)Br 270004a_100000745999_100011216314 [0,2,0,0,0,0|2,0,0]=4 939 B21R2.17862 CSCC(C)NC(c1ccccc1)c2ccc(cc2)C 270004a_100000736602_100011216314 [0,2,0,0,0,0|2,0,0]=4 940 B21R2.17862 CSCC(C)NC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000737946_100011216314 [0,2,0,0,0,0|2,0,0]=4 941 B21R2.17862 CSCC(C)NC(c1ccccc1)c2ccc(cc2)F 270004a_100000737529_100011216314 [0,2,0,0,0,0|2,0,0]=4 942 B21R2.17862 CSCC(C)NC(c1ccccc1)c2ccc(cc2)O 270004a_100000198503_100011216314 [0,2,0,0,0,0|2,0,0]=4 943 B21R2.17862 Cc1ccc(cc1)C(OC(C)CC#N)c2ccccc2 7a_100000212064_100009813641 [0,2,0,0,0,0|2,0,0]=4 944 B21R2.17862 Cc1ccc(cc1)C(OC(C)CCO)c2ccccc2 34a_100000212064_100009893172 [0,2,0,0,0,0|2,0,0]=4 945 B21R2.17862 Cc1ccc(cc1)C(OC(C)CCO)c2ccccc2 7a_100000212064_100009893172 [0,2,0,0,0,0|2,0,0]=4 946 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000730141 [0,2,0,0,0,0|1,0,1]=4 947 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000730141 [0,2,0,0,0,0|1,0,1]=4 948 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000730141 [0,2,0,0,0,0|1,0,1]=4 949 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000730141 [0,2,0,0,0,0|1,0,1]=4 950 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000730141 [0,2,0,0,0,0|1,0,1]=4 951 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000730141 [0,2,0,0,0,0|1,0,1]=4 952 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000730141 [0,2,0,0,0,0|1,0,1]=4 953 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000730141 [0,2,0,0,0,0|1,0,1]=4 954 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000730141 [0,2,0,0,0,0|1,0,1]=4 955 B21R2.23063 C=CC(O)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000730141 [0,2,0,0,0,0|1,0,1]=4 956 B21R2.23063 CCC(=O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000747405 [0,2,0,0,0,0|1,0,1]=4 957 B21R2.23063 CCC(=O)COC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000747405 [0,2,0,0,0,0|1,0,1]=4 958 B21R2.23063 CCC(=O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000747405 [0,2,0,0,0,0|1,0,1]=4 959 B21R2.23063 CCC(=O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000747405 [0,2,0,0,0,0|1,0,1]=4 960 B21R2.23063 CCC(=O)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000747405 [0,2,0,0,0,0|1,0,1]=4 961 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000748023 [0,2,0,0,0,0|2,0,0]=4 962 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)C 270004a_100000736602_100000243153 [0,2,0,0,0,0|2,0,0]=4 963 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)C 270004a_100020588543_100000210966 [0,2,0,0,0,0|2,0,0]=4 964 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000748023 [0,2,0,0,0,0|2,0,0]=4 965 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000748023 [0,2,0,0,0,0|2,0,0]=4 966 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100000737529_100000243153 [0,2,0,0,0,0|2,0,0]=4 967 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100020588543_100000210425 [0,2,0,0,0,0|2,0,0]=4 968 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000748023 [0,2,0,0,0,0|2,0,0]=4 969 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)O 270004a_100000198503_100000243153 [0,2,0,0,0,0|2,0,0]=4 970 B21R2.23063 CCC(C)CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000748023 [0,2,0,0,0,0|2,0,0]=4 971 B21R2.23063 CCC(C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000748023 [0,2,0,0,0,0|2,0,0]=4 972 B21R2.23063 CCC(C)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000748023 [0,2,0,0,0,0|1,0,0]=3 973 B21R2.23063 CCC(C)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000748023 [0,2,0,0,0,0|1,0,0]=3 974 B21R2.23063 CCC(C)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000748023 [0,2,0,0,0,0|1,0,0]=3 975 B21R2.23063 CCC(C)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000748023 [0,2,0,0,0,0|1,0,0]=3 976 B21R2.23063 CCC(C)COC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000748023 [0,2,0,0,0,0|2,0,0]=4 977 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100011218378 [0,2,0,0,0,0|2,0,0]=4 978 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)Br 270004a_100011218483_100000718703 [0,2,0,0,0,0|2,0,0]=4 979 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100011218378 [0,2,0,0,0,0|2,0,0]=4 980 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100011218378 [0,2,0,0,0,0|2,0,0]=4 981 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)C 270004a_100011218483_100000210966 [0,2,0,0,0,0|2,0,0]=4 982 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100011218378 [0,2,0,0,0,0|2,0,0]=4 983 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100011218378 [0,2,0,0,0,0|2,0,0]=4 984 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100011218483_100000211669 [0,2,0,0,0,0|2,0,0]=4 985 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100011218483_100000211064 [0,2,0,0,0,0|2,0,0]=4 986 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100011218378 [0,2,0,0,0,0|2,0,0]=4 987 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100011218378 [0,2,0,0,0,0|2,0,0]=4 988 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100011218483_100000210425 [0,2,0,0,0,0|2,0,0]=4 989 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100011218378 [0,2,0,0,0,0|2,0,0]=4 990 B21R2.23063 CCC(O)CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100011218378 [0,2,0,0,0,0|2,0,0]=4 991 B21R2.23063 CCC(O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011218378 [0,2,0,0,0,0|2,0,0]=4 992 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011218378 [0,2,0,0,0,0|1,0,0]=3 993 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011218378 [0,2,0,0,0,0|1,0,0]=3 994 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100011218378 [0,2,0,0,0,0|1,0,0]=3 995 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100011218378 [0,2,0,0,0,0|1,0,0]=3 996 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011218378 [0,2,0,0,0,0|1,0,0]=3 997 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011218378 [0,2,0,0,0,0|1,0,0]=3 998 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011218378 [0,2,0,0,0,0|1,0,0]=3 999 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011218378 [0,2,0,0,0,0|1,0,0]=3 1000 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100011218378 [0,2,0,0,0,0|1,0,0]=3 1001 B21R2.23063 CCC(O)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100011218378 [0,2,0,0,0,0|1,0,0]=3 1002 B21R2.23063 CCC(O)COC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100011218378 [0,2,0,0,0,0|2,0,0]=4 1003 B21R2.23063 CCC(O)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100011218378 [0,2,0,0,0,0|1,1,0]=4 1004 B21R2.23063 CCC(O)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100011218378_100000211669 [0,2,0,0,0,0|1,1,0]=4 1005 B21R2.23063 CC[C@H](C)CNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100009816398 [0,2,0,0,0,0|2,0,0]=4 1006 B21R2.23063 CC[C@H](C)CNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100009816398 [0,2,0,0,0,0|2,0,0]=4 1007 B21R2.23063 CC[C@H](C)CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100009816398 [0,2,0,0,0,0|2,0,0]=4 1008 B21R2.23063 CC[C@H](C)CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100009816398 [0,2,0,0,0,0|2,0,0]=4 1009 B21R2.23063 CC[C@H](C)CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100009816398 [0,2,0,0,0,0|2,0,0]=4 1010 B21R2.23063 CC[C@H](C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100009816398 [0,2,0,0,0,0|2,0,0]=4 1011 B21R2.23063 CC[C@H](C)COC(c1ccc(cc1)Cl)c2ccccn2 7a_100009816381_200010188304 [0,2,0,0,0,0|2,0,0]=4 1012 B21R2.23063 CC[C@H](C)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100009816398 [0,2,0,0,0,0|1,0,0]=3 1013 B21R2.23063 CC[C@H](C)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100009816398 [0,2,0,0,0,0|1,0,0]=3 1014 B21R2.23063 CC[C@H](C)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100009816398 [0,2,0,0,0,0|1,0,0]=3 1015 B21R2.23063 CC[C@H](C)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100009816398 [0,2,0,0,0,0|1,0,0]=3 1016 B21R2.23063 CC[C@H](C)COC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100009816398 [0,2,0,0,0,0|2,0,0]=4 1017 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000183359 [0,2,0,0,0,0|1,0,1]=4 1018 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000693194_100000718703 [0,2,0,0,0,0|1,0,1]=4 1019 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000183359 [0,2,0,0,0,0|1,0,1]=4 1020 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000183359 [0,2,0,0,0,0|1,0,1]=4 1021 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)C 270004a_100000693194_100000210966 [0,2,0,0,0,0|1,0,1]=4 1022 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000183359 [0,2,0,0,0,0|1,0,1]=4 1023 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000693194_100000211669 [0,2,0,0,0,0|1,0,1]=4 1024 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000183359 [0,2,0,0,0,0|1,0,1]=4 1025 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000693194_100000211064 [0,2,0,0,0,0|1,0,1]=4 1026 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000183359 [0,2,0,0,0,0|1,0,1]=4 1027 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000183359 [0,2,0,0,0,0|1,0,1]=4 1028 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100000693194_100000210425 [0,2,0,0,0,0|1,0,1]=4 1029 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000183359 [0,2,0,0,0,0|1,0,1]=4 1030 B21R2.23063 CNC(=O)CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000183359 [0,2,0,0,0,0|1,0,1]=4 1031 B21R2.23063 CNC(=O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000183359 [0,2,0,0,0,0|1,0,1]=4 1032 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000183359 [0,2,0,0,0,0|0,0,1]=3 1033 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000183359 [0,2,0,0,0,0|0,0,1]=3 1034 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000183359 [0,2,0,0,0,0|0,0,1]=3 1035 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000183359 [0,2,0,0,0,0|0,0,1]=3 1036 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000183359 [0,2,0,0,0,0|0,0,1]=3 1037 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000183359 [0,2,0,0,0,0|0,0,1]=3 1038 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000183359 [0,2,0,0,0,0|0,0,1]=3 1039 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000183359 [0,2,0,0,0,0|0,0,1]=3 1040 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000183359 [0,2,0,0,0,0|0,0,1]=3 1041 B21R2.23063 CNC(=O)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000183359 [0,2,0,0,0,0|0,0,1]=3 1042 B21R2.23063 CNC(=O)COC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000183359 [0,2,0,0,0,0|1,0,1]=4 1043 B21R2.23063 CNC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 11a_106832991635_100000684134 [0,2,0,0,0,0|0,1,1]=4 1044 B21R2.23063 CNC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 1626a_100102657272_100000684134 [0,2,0,0,0,0|0,1,1]=4 1045 B21R2.23063 CNC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 240690a_100102657272_100000684134 [0,2,0,0,0,0|0,1,1]=4 1046 B21R2.23063 CNC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 527a_100102657272_100000684134 [0,2,0,0,0,0|0,1,1]=4 1047 B21R2.23063 CNC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000183359_100000211669 [0,2,0,0,0,0|0,1,1]=4 1048 B21R2.23063 CNC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000183359 [0,2,0,0,0,0|0,1,1]=4 1049 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000747449 [0,2,0,0,0,0|1,0,1]=4 1050 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000747449 [0,2,0,0,0,0|1,0,1]=4 1051 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100000747449 [0,2,0,0,0,0|1,0,1]=4 1052 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000747449 [0,2,0,0,0,0|1,0,1]=4 1053 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000747449 [0,2,0,0,0,0|1,0,1]=4 1054 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000747449 [0,2,0,0,0,0|1,0,1]=4 1055 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000747449 [0,2,0,0,0,0|1,0,1]=4 1056 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000747449 [0,2,0,0,0,0|1,0,1]=4 1057 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000747449 [0,2,0,0,0,0|1,0,1]=4 1058 B21R2.23063 COC(=O)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000747449 [0,2,0,0,0,0|1,0,1]=4 1059 B21R2.23063 CO[C@H](C)CNC(c1ccccc1)c2ccc(cc2)Br 270004a_100020591295_100000718703 [0,2,0,0,0,0|2,0,0]=4 1060 B21R2.23063 CO[C@H](C)CNC(c1ccccc1)c2ccc(cc2)C 270004a_100020591295_100000210966 [0,2,0,0,0,0|2,0,0]=4 1061 B21R2.23063 CO[C@H](C)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100020591295_100000211669 [0,2,0,0,0,0|2,0,0]=4 1062 B21R2.23063 CO[C@H](C)CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100020591295_100000211064 [0,2,0,0,0,0|2,0,0]=4 1063 B21R2.23063 CO[C@H](C)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100020591295_100000210425 [0,2,0,0,0,0|2,0,0]=4 1064 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000059175 [0,2,0,0,0,0|2,0,0]=4 1065 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000059175 [0,2,0,0,0,0|2,0,0]=4 1066 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000059175 [0,2,0,0,0,0|2,0,0]=4 1067 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000059175 [0,2,0,0,0,0|2,0,0]=4 1068 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000059175 [0,2,0,0,0,0|2,0,0]=4 1069 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000059175 [0,2,0,0,0,0|2,0,0]=4 1070 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000059175 [0,2,0,0,0,0|2,0,0]=4 1071 B21R2.23063 C[C@@H](CO)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000059175 [0,2,0,0,0,0|2,0,0]=4 1072 B21R2.23063 Cc1ccc(cc1)C(OCC(O)CO)c2ccccc2 34a_100000212064_100011219619 [0,2,0,0,0,0|2,0,0]=4 1073 B21R2.23063 Cc1ccc(cc1)C(OCC(O)CO)c2ccccc2 7a_100000212064_100011219619 [0,2,0,0,0,0|2,0,0]=4 1074 B21R2.23063 Cc1ccc(cc1)C(OC[C@@H](C)CO)c2ccccc2 34a_100000212064_100000059175 [0,2,0,0,0,0|2,0,0]=4 1075 B21R2.23063 Cc1ccc(cc1)C(OC[C@@H](C)CO)c2ccccc2 7a_100000212064_100000059175 [0,2,0,0,0,0|2,0,0]=4 1076 B21R2.23063 Cc1ccc(cc1)C(OC[C@@H](O)CF)c2ccccc2 34a_100000212064_100015614560 [0,2,0,0,0,0|2,0,0]=4 1077 B21R2.23063 Cc1ccc(cc1)C(OC[C@@H](O)CF)c2ccccc2 7a_100000212064_100015614560 [0,2,0,0,0,0|2,0,0]=4 1078 B21R2.23063 Cc1ccc(cc1)C(OC[C@@H](O)CO)c2ccccc2 34a_100000212064_100009815848 [0,2,0,0,0,0|2,0,0]=4 1079 B21R2.23063 Cc1ccc(cc1)C(OC[C@@H](O)CO)c2ccccc2 7a_100000212064_100009815848 [0,2,0,0,0,0|2,0,0]=4 1080 B21R2.23063 Nc1ccc(cc1)C(OCC(O)CO)c2ccccc2 34a_100011236343_100011219619 [0,2,0,0,0,0|2,0,0]=4 1081 B21R2.23063 Nc1ccc(cc1)C(OCC(O)CO)c2ccccc2 7a_100011236343_100011219619 [0,2,0,0,0,0|2,0,0]=4 1082 B21R2.23063 Nc1ccc(cc1)C(OC[C@@H](O)CF)c2ccccc2 34a_100011236343_100015614560 [0,2,0,0,0,0|2,0,0]=4 1083 B21R2.23063 Nc1ccc(cc1)C(OC[C@@H](O)CF)c2ccccc2 7a_100011236343_100015614560 [0,2,0,0,0,0|2,0,0]=4 1084 B21R2.23063 Nc1ccc(cc1)C(OC[C@@H](O)CO)c2ccccc2 34a_100011236343_100009815848 [0,2,0,0,0,0|2,0,0]=4 1085 B21R2.23063 Nc1ccc(cc1)C(OC[C@@H](O)CO)c2ccccc2 7a_100011236343_100009815848 [0,2,0,0,0,0|2,0,0]=4 1086 B21R2.23063 OCC(O)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100011219619 [0,2,0,0,0,0|2,0,0]=4 1087 B21R2.23063 OCC(O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100011219619 [0,2,0,0,0,0|2,0,0]=4 1088 B21R2.23063 OCC(O)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100011219619 [0,2,0,0,0,0|2,0,0]=4 1089 B21R2.23063 OCC(O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100011219619 [0,2,0,0,0,0|2,0,0]=4 1090 B21R2.23063 OCC(O)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100011219619 [0,2,0,0,0,0|2,0,0]=4 1091 B21R2.23063 OCC(O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100011219619 [0,2,0,0,0,0|2,0,0]=4 1092 B21R2.23063 OC[C@H](O)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100009815848 [0,2,0,0,0,0|2,0,0]=4 1093 B21R2.23063 OC[C@H](O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100009815848 [0,2,0,0,0,0|2,0,0]=4 1094 B21R2.23063 OC[C@H](O)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100009815848 [0,2,0,0,0,0|2,0,0]=4 1095 B21R2.23063 OC[C@H](O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100009815848 [0,2,0,0,0,0|2,0,0]=4 1096 B21R2.23063 OC[C@H](O)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100009815848 [0,2,0,0,0,0|2,0,0]=4 1097 B21R2.23063 OC[C@H](O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100009815848 [0,2,0,0,0,0|2,0,0]=4 1098 B21R2.23063 O[C@@H](CF)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100015614560 [0,2,0,0,0,0|2,0,0]=4 1099 B21R2.23063 O[C@@H](CF)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100015614560 [0,2,0,0,0,0|2,0,0]=4 1100 B21R2.23063 O[C@@H](CF)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100015614560 [0,2,0,0,0,0|2,0,0]=4 1101 B21R2.23063 O[C@@H](CF)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100015614560 [0,2,0,0,0,0|2,0,0]=4 1102 B21R2.23063 O[C@@H](CF)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100015614560 [0,2,0,0,0,0|2,0,0]=4 1103 B21R2.23063 O[C@@H](CF)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100015614560 [0,2,0,0,0,0|2,0,0]=4 1104 B21R2.24795 C#CCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000688953 [0,2,0,0,0,0|1,0,1]=4 1105 B21R2.24795 C#CCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000688953 [0,2,0,0,0,0|1,0,1]=4 1106 B21R2.24795 CC#CCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000748600 [0,2,0,0,0,0|1,0,1]=4 1107 B21R2.24795 CC#CCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000748600 [0,2,0,0,0,0|1,0,1]=4 1108 B21R2.24795 CC(OCCC#N)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000184422 [0,2,0,0,0,0|2,0,0]=4 1109 B21R2.24795 CC(OCCCF)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100011934791 [0,2,0,0,0,0|2,0,0]=4 1110 B21R2.24795 CC(OCCCF)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100011934791 [0,2,0,0,0,0|2,0,0]=4 1111 B21R2.24795 CC(OCCCO)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000230001 [0,2,0,0,0,0|2,0,0]=4 1112 B21R2.24795 CC(OCCCO)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100011215043 [0,2,0,0,0,0|2,0,0]=4 1113 B21R2.24795 COCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100011201679 [0,2,0,0,0,0|1,0,0]=3 1114 B21R2.24795 COCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000233755 [0,2,0,0,0,0|1,0,0]=3 1115 B21R2.24795 CSCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 34a_100016991996_100000212216 [0,2,0,0,0,0|1,0,0]=3 1116 B21R2.24795 CSCCOC(C)(c1ccccc1)c2ccc(cc2)Cl 7a_100016991996_100000212216 [0,2,0,0,0,0|1,0,0]=3 1117 B21R2.28161 CCCCNC(c1ccccc1)c2ccc(cc2C)C 2230a_100102946505_100000210211 [0,2,0,0,0,0|2,0,0]=4 1118 B21R2.28161 CCCCNC(c1ccccc1)c2ccc(cc2C)C 270004a_100000102301_100000185008 [0,2,0,0,0,0|2,0,0]=4 1119 B21R2.28161 CCCCNC(c1ccccc1)c2ccc(cc2C)C 34a_100102946505_100000210210 [0,2,0,0,0,0|2,0,0]=4 1120 B21R2.28161 CCCCNC(c1ccccc1)c2ccc(cc2F)F 270004a_100000102301_200011215470 [0,2,0,0,0,0|2,0,0]=4 1121 B21R2.28161 COCCNC(c1ccccc1)c2ccc(cc2C)C 2230a_100102946505_100011201679 [0,2,0,0,0,0|2,0,0]=4 1122 B21R2.28161 COCCNC(c1ccccc1)c2ccc(cc2C)C 270004a_100000209980_100000185008 [0,2,0,0,0,0|2,0,0]=4 1123 B21R2.28161 COCCNC(c1ccccc1)c2ccc(cc2C)C 34a_100102946505_100011201679 [0,2,0,0,0,0|2,0,0]=4 1124 B21R2.28161 COCCNC(c1ccccc1)c2ccc(cc2Cl)Cl 270004a_100000209980_100011217691 [0,2,0,0,0,0|2,0,0]=4 1125 B21R2.28161 COCCNC(c1ccccc1)c2ccc(cc2F)F 270004a_100000209980_200011215470 [0,2,0,0,0,0|2,0,0]=4 1126 B21R2.28161 CSCCNC(c1ccccc1)c2ccc(cc2C)C 2230a_100102946505_100000751147 [0,2,0,0,0,0|2,0,0]=4 1127 B21R2.28161 CSCCNC(c1ccccc1)c2ccc(cc2C)C 270004a_100020590264_100000185008 [0,2,0,0,0,0|2,0,0]=4 1128 B21R2.28161 CSCCNC(c1ccccc1)c2ccc(cc2C)C 34a_100102946505_100000212216 [0,2,0,0,0,0|2,0,0]=4 1129 B21R2.28161 CSCCNC(c1ccccc1)c2ccc(cc2F)F 270004a_100020590264_200011215470 [0,2,0,0,0,0|2,0,0]=4 1130 B21R2.28163 C#CCCOC(c1ccccc1)c2ccc(cc2)OC 34a_100000286541_100000688953 [0,2,0,0,0,0|1,0,1]=4 1131 B21R2.28163 C#CCCOC(c1ccccc1)c2ccc(cc2)OC 7a_100000286541_100000688953 [0,2,0,0,0,0|1,0,1]=4 1132 B21R2.28163 C/C=C/COC(c1ccccc1)c2ccc(cc2)OC 34a_100000286541_100102629194 [0,2,0,0,0,0|1,0,1]=4 1133 B21R2.28163 C/C=C/COC(c1ccccc1)c2ccc(cc2)OC 7a_100000286541_100102629194 [0,2,0,0,0,0|1,0,1]=4 1134 B21R2.28163 C=CCCOC(c1ccccc1)c2ccc(cc2)OC 34a_100000286541_100000754431 [0,2,0,0,0,0|1,0,1]=4 1135 B21R2.28163 C=CCCOC(c1ccccc1)c2ccc(cc2)OC 7a_100000286541_100000754431 [0,2,0,0,0,0|1,0,1]=4 1136 B21R2.28163 CC#CCOC(c1ccccc1)c2ccc(cc2)OC 34a_100000286541_100000748600 [0,2,0,0,0,0|1,0,1]=4 1137 B21R2.28163 CC#CCOC(c1ccccc1)c2ccc(cc2)OC 7a_100000286541_100000748600 [0,2,0,0,0,0|1,0,1]=4 1138 B21R2.28163 CC=CCOC(c1ccccc1)c2ccc(cc2)OC 34a_100000286541_100000070051 [0,2,0,0,0,0|1,0,1]=4 1139 B21R2.28163 CC=CCOC(c1ccccc1)c2ccc(cc2)OC 7a_100000286541_100000070051 [0,2,0,0,0,0|1,0,1]=4 1140 B21R2.28163 CCCCNC(c1ccccc1)c2ccc(cc2)CO 270004a_100000102301_200010886186 [0,2,0,0,0,0|2,0,0]=4 1141 B21R2.28163 CCCCNC(c1ccccc1)c2ccc(cc2)OC 2230a_100015384205_100000210211 [0,2,0,0,0,0|2,0,0]=4 1142 B21R2.28163 CCCCNC(c1ccccc1)c2ccc(cc2)OC 270004a_100000102301_100000170244 [0,2,0,0,0,0|2,0,0]=4 1143 B21R2.28163 CCCCNC(c1ccccc1)c2ccc(cc2)OC 34a_100015384205_100000210210 [0,2,0,0,0,0|2,0,0]=4 1144 B21R2.28163 CCCCOC(c1ccccc1)c2ccc(cc2)OC 34a_100000286541_100000210210 [0,2,0,0,0,0|1,0,0]=3 1145 B21R2.28163 CCCCOC(c1ccccc1)c2ccc(cc2)OC 7a_100000286541_100000210211 [0,2,0,0,0,0|1,0,0]=3 1146 B21R2.28163 COCCNC(c1ccccc1)c2ccc(cc2)CO 270004a_100000209980_200010886186 [0,2,0,0,0,0|2,0,0]=4 1147 B21R2.28163 COCCNC(c1ccccc1)c2ccc(cc2)OC 2230a_100015384205_100011201679 [0,2,0,0,0,0|2,0,0]=4 1148 B21R2.28163 COCCNC(c1ccccc1)c2ccc(cc2)OC 270004a_100000209980_100000170244 [0,2,0,0,0,0|2,0,0]=4 1149 B21R2.28163 COCCNC(c1ccccc1)c2ccc(cc2)OC 34a_100015384205_100011201679 [0,2,0,0,0,0|2,0,0]=4 1150 B21R2.28163 COCCOC(c1ccccc1)c2ccc(cc2)OC 34a_100000286541_100011201679 [0,2,0,0,0,0|1,0,0]=3 1151 B21R2.28163 COCCOC(c1ccccc1)c2ccc(cc2)OC 7a_100000286541_100000233755 [0,2,0,0,0,0|1,0,0]=3 1152 B21R2.28163 COc1ccc(cc1)C(NCCSC)c2ccccc2 2230a_100015384205_100000751147 [0,2,0,0,0,0|2,0,0]=4 1153 B21R2.28163 COc1ccc(cc1)C(NCCSC)c2ccccc2 270004a_100020590264_100000170244 [0,2,0,0,0,0|2,0,0]=4 1154 B21R2.28163 COc1ccc(cc1)C(NCCSC)c2ccccc2 34a_100015384205_100000212216 [0,2,0,0,0,0|2,0,0]=4 1155 B21R2.28163 COc1ccc(cc1)C(OCCC#N)c2ccccc2 7a_100000286541_100000184422 [0,2,0,0,0,0|2,0,0]=4 1156 B21R2.28163 COc1ccc(cc1)C(OCCCF)c2ccccc2 34a_100000286541_100011934791 [0,2,0,0,0,0|2,0,0]=4 1157 B21R2.28163 COc1ccc(cc1)C(OCCCF)c2ccccc2 7a_100000286541_100011934791 [0,2,0,0,0,0|2,0,0]=4 1158 B21R2.28163 COc1ccc(cc1)C(OCCCO)c2ccccc2 34a_100000286541_100000230001 [0,2,0,0,0,0|2,0,0]=4 1159 B21R2.28163 COc1ccc(cc1)C(OCCCO)c2ccccc2 7a_100000286541_100011215043 [0,2,0,0,0,0|2,0,0]=4 1160 B21R2.28163 COc1ccc(cc1)C(OCCSC)c2ccccc2 34a_100000286541_100000212216 [0,2,0,0,0,0|1,0,0]=3 1161 B21R2.28163 COc1ccc(cc1)C(OCCSC)c2ccccc2 7a_100000286541_100000212216 [0,2,0,0,0,0|1,0,0]=3 1162 B21R2.28163 CSCCNC(c1ccccc1)c2ccc(cc2)CO 270004a_100020590264_200010886186 [0,2,0,0,0,0|2,0,0]=4 1163 B21R2.366996 C=C(C)CCNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_100000730704 [0,2,0,0,0,0|2,0,0]=4 1164 B21R2.366996 C=C(C)CCNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_100000730704 [0,2,0,0,0,0|2,0,0]=4 1165 B21R2.366996 C=C(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000730704 [0,2,0,0,0,0|2,0,0]=4 1166 B21R2.366996 C=C(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000730704 [0,2,0,0,0,0|2,0,0]=4 1167 B21R2.366996 C=C(C)CCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000730704 [0,2,0,0,0,0|2,0,0]=4 1168 B21R2.366996 C=C(C)CCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000730704 [0,2,0,0,0,0|2,0,0]=4 1169 B21R2.366996 C=C(C)CCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000730704 [0,2,0,0,0,0|2,0,0]=4 1170 B21R2.366996 C=C(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000730704 [0,2,0,0,0,0|2,0,0]=4 1171 B21R2.366996 C=C(C)CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000730704 [0,2,0,0,0,0|1,0,0]=3 1172 B21R2.366996 C=C(C)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000730704 [0,2,0,0,0,0|1,0,0]=3 1173 B21R2.366996 C=C(C)CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000730704 [0,2,0,0,0,0|1,0,0]=3 1174 B21R2.366996 C=C(C)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000730704 [0,2,0,0,0,0|1,0,0]=3 1175 B21R2.366996 C=C(C)CCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000730704 [0,2,0,0,0,0|2,0,0]=4 1176 B21R2.366996 CC(=CCOC(c1ccccc1)c2ccc(cc2)F)C 34a_200000246460_100000761012 [0,2,0,0,0,0|1,0,1]=4 1177 B21R2.366996 CC(=CCOC(c1ccccc1)c2ccc(cc2)F)C 7a_200000246460_100000761012 [0,2,0,0,0,0|1,0,1]=4 1178 B21R2.366996 CC(=CCOC(c1ccccc1)c2ccc(cc2)N)C 34a_100011236343_100000761012 [0,2,0,0,0,0|1,0,1]=4 1179 B21R2.366996 CC(=CCOC(c1ccccc1)c2ccc(cc2)N)C 7a_100011236343_100000761012 [0,2,0,0,0,0|1,0,1]=4 1180 B21R2.366996 CC(=O)CCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000759926_200010188304 [0,2,0,0,0,0|2,0,0]=4 1181 B21R2.366996 CC(=O)CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000053229 [0,2,0,0,0,0|1,0,0]=3 1182 B21R2.366996 CC(=O)CCOC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_100000053229 [0,2,0,0,0,0|1,0,0]=3 1183 B21R2.366996 CC(=O)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000053229 [0,2,0,0,0,0|1,0,0]=3 1184 B21R2.366996 CC(=O)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000759926_100000211669 [0,2,0,0,0,0|1,0,0]=3 1185 B21R2.366996 CC(=O)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000053229 [0,2,0,0,0,0|1,0,0]=3 1186 B21R2.366996 CC(=O)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000053229 [0,2,0,0,0,0|1,0,0]=3 1187 B21R2.366996 CC(=O)OCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100009813279 [0,2,0,0,0,0|2,0,0]=4 1188 B21R2.366996 CC(=O)OCOC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_100009813279 [0,2,0,0,0,0|2,0,0]=4 1189 B21R2.366996 CC(=O)OCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100009813279 [0,2,0,0,0,0|2,0,0]=4 1190 B21R2.366996 CC(=O)OCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100009813279 [0,2,0,0,0,0|2,0,0]=4 1191 B21R2.366996 CC(=O)OCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100009813279 [0,2,0,0,0,0|2,0,0]=4 1192 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210312 [0,2,0,0,0,0|2,0,0]=4 1193 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 269862a_100000737529_100000185833 [0,2,0,0,0,0|2,0,0]=4 1194 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000210545_100000210425 [0,2,0,0,0,0|2,0,0]=4 1195 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000210312 [0,2,0,0,0,0|2,0,0]=4 1196 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000210312 [0,2,0,0,0,0|2,0,0]=4 1197 B21R2.366996 CC(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210312 [0,2,0,0,0,0|2,0,0]=4 1198 B21R2.366996 CC(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000210254_200010188304 [0,2,0,0,0,0|2,0,0]=4 1199 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000210312 [0,2,0,0,0,0|1,0,0]=3 1200 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000210626 [0,2,0,0,0,0|1,0,0]=3 1201 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210312 [0,2,0,0,0,0|1,0,0]=3 1202 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210626 [0,2,0,0,0,0|1,0,0]=3 1203 B21R2.366996 CC(C)CCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000210312 [0,2,0,0,0,0|2,0,0]=4 1204 B21R2.366996 CC(C)OCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000709892 [0,2,0,0,0,0|2,0,0]=4 1205 B21R2.366996 CC(C)OCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000709892 [0,2,0,0,0,0|2,0,0]=4 1206 B21R2.366996 CC(C)OCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000709892 [0,2,0,0,0,0|2,0,0]=4 1207 B21R2.366996 CC(C)OCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000709892 [0,2,0,0,0,0|2,0,0]=4 1208 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100012276601 [0,2,0,0,0,0|2,0,0]=4 1209 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)Br 270004a_200000755665_100000718703 [0,2,0,0,0,0|2,0,0]=4 1210 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100012276601 [0,2,0,0,0,0|2,0,0]=4 1211 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100012276601 [0,2,0,0,0,0|2,0,0]=4 1212 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_200000755665_100000211669 [0,2,0,0,0,0|2,0,0]=4 1213 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_200000755665_100000211064 [0,2,0,0,0,0|2,0,0]=4 1214 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100012276601 [0,2,0,0,0,0|2,0,0]=4 1215 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100012276601 [0,2,0,0,0,0|2,0,0]=4 1216 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)F 270004a_200000755665_100000210425 [0,2,0,0,0,0|2,0,0]=4 1217 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100012276601 [0,2,0,0,0,0|2,0,0]=4 1218 B21R2.366996 CC(O)CCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100012276601 [0,2,0,0,0,0|2,0,0]=4 1219 B21R2.366996 CC(O)CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100012276601 [0,2,0,0,0,0|2,0,0]=4 1220 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100012276601 [0,2,0,0,0,0|1,0,0]=3 1221 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100012276601 [0,2,0,0,0,0|1,0,0]=3 1222 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100012276601 [0,2,0,0,0,0|1,0,0]=3 1223 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100012276601 [0,2,0,0,0,0|1,0,0]=3 1224 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100012276601 [0,2,0,0,0,0|1,0,0]=3 1225 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100012276601 [0,2,0,0,0,0|1,0,0]=3 1226 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100012276601 [0,2,0,0,0,0|1,0,0]=3 1227 B21R2.366996 CC(O)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100012276601 [0,2,0,0,0,0|1,0,0]=3 1228 B21R2.366996 CC(O)CCOC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100012276601 [0,2,0,0,0,0|2,0,0]=4 1229 B21R2.366996 CC(O)CCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100012276601 [0,2,0,0,0,0|1,1,0]=4 1230 B21R2.366996 CC(O)CCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100012276601_100000211669 [0,2,0,0,0,0|1,1,0]=4 1231 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000210585_200010179208 [0,2,0,0,0,0|2,0,0]=4 1232 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Br)c2cccnc2 270004a_100000210585_100000753996 [0,2,0,0,0,0|2,0,0]=4 1233 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000210585_100000753647 [0,2,0,0,0,0|2,0,0]=4 1234 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Cl)c2cccnc2 270004a_100000210585_100000753233 [0,2,0,0,0,0|2,0,0]=4 1235 B21R2.366996 CN(C)CCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000210585_100000718703 [0,2,0,0,0,0|1,0,0]=3 1236 B21R2.366996 CN(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000210585_100000211064 [0,2,0,0,0,0|1,0,0]=3 1237 B21R2.366996 CN(C)CCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000210585_100000210425 [0,2,0,0,0,0|1,0,0]=3 1238 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000755713 [0,2,0,0,0,0|0,0,0]=2 1239 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000755713 [0,2,0,0,0,0|0,0,0]=2 1240 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000755713 [0,2,0,0,0,0|0,0,0]=2 1241 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000755713 [0,2,0,0,0,0|0,0,0]=2 1242 B21R2.366996 CN(C)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000755713 [0,2,0,0,0,0|1,1,0]=4 1243 B21R2.366996 CN(C)CCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000755713 [0,2,0,0,0,0|0,1,0]=3 1244 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 2230a_100000736602_100000210312 [0,2,0,0,0,0|2,0,0]=4 1245 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 269862a_100000736602_100000185833 [0,2,0,0,0,0|2,0,0]=4 1246 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 270004a_100000210545_100000210966 [0,2,0,0,0,0|2,0,0]=4 1247 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 34a_100000736602_100000210312 [0,2,0,0,0,0|2,0,0]=4 1248 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)O)c2ccccc2 2230a_100000736602_100012276601 [0,2,0,0,0,0|2,0,0]=4 1249 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)O)c2ccccc2 270004a_200000755665_100000210966 [0,2,0,0,0,0|2,0,0]=4 1250 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)O)c2ccccc2 34a_100000736602_100012276601 [0,2,0,0,0,0|2,0,0]=4 1251 B21R2.366996 Cc1ccc(cc1)C(NCCN(C)C)c2ccccc2 270004a_100000210585_100000210966 [0,2,0,0,0,0|1,0,0]=3 1252 B21R2.366996 Cc1ccc(cc1)C(OCCC(=O)N)c2ccccc2 34a_100000212064_100000731001 [0,2,0,0,0,0|2,0,0]=4 1253 B21R2.366996 Cc1ccc(cc1)C(OCCC(=O)N)c2ccccc2 7a_100000212064_100000744528 [0,2,0,0,0,0|2,0,0]=4 1254 B21R2.366996 Cc1ccc(cc1)C(OCCC(C)O)c2ccccc2 34a_100000212064_100012276601 [0,2,0,0,0,0|1,0,0]=3 1255 B21R2.366996 Cc1ccc(cc1)C(OCCC(C)O)c2ccccc2 7a_100000212064_100012276601 [0,2,0,0,0,0|1,0,0]=3 1256 B21R2.366996 Cc1ccc(cc1)C(OCCN(C)C)c2ccccc2 7a_100000212064_100000755713 [0,2,0,0,0,0|0,0,0]=2 1257 B21R2.366996 Cc1ccc(cc1)C(OCOC(C)C)c2ccccc2 34a_100000212064_100000709892 [0,2,0,0,0,0|2,0,0]=4 1258 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000731001 [0,2,0,0,0,0|2,0,0]=4 1259 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000744528 [0,2,0,0,0,0|2,0,0]=4 1260 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000731001 [0,2,0,0,0,0|2,0,0]=4 1261 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000744528 [0,2,0,0,0,0|2,0,0]=4 1262 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000757172_100000211669 [0,2,0,0,0,0|2,0,0]=4 1263 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000731001 [0,2,0,0,0,0|2,0,0]=4 1264 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000744528 [0,2,0,0,0,0|2,0,0]=4 1265 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000731001 [0,2,0,0,0,0|2,0,0]=4 1266 B21R2.366996 NC(=O)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000744528 [0,2,0,0,0,0|2,0,0]=4 1267 B21R2.2399614 CCCCNC(c1ccc(cc1)F)c2ccccc2Cl 270004a_100000102301_100000297523 [0,2,0,0,0,0|2,0,0]=4 1268 B21R2.2399614 COCCNC(c1ccc(cc1)Br)c2ccccc2C 270004a_100000209980_200011267734 [0,2,0,0,0,0|2,0,0]=4 1269 B21R2.2399614 COCCNC(c1ccc(cc1)C)c2ccccc2Cl 270004a_100000209980_100000758304 [0,2,0,0,0,0|2,0,0]=4 1270 B21R2.2399614 COCCNC(c1ccc(cc1)Cl)c2ccccc2Cl 270004a_100000209980_100000287701 [0,2,0,0,0,0|2,0,0]=4 1271 B21R2.2399614 COCCNC(c1ccc(cc1)F)c2ccccc2Br 270004a_100000209980_100011267497 [0,2,0,0,0,0|2,0,0]=4 1272 B21R2.2399614 COCCNC(c1ccc(cc1)F)c2ccccc2Cl 270004a_100000209980_100000297523 [0,2,0,0,0,0|2,0,0]=4 1273 B21R2.2399614 CSCCNC(c1ccc(cc1)Br)c2ccccc2C 270004a_100020590264_200011267734 [0,2,0,0,0,0|2,0,0]=4 1274 B21R2.2399614 CSCCNC(c1ccc(cc1)C)c2ccccc2Cl 270004a_100020590264_100000758304 [0,2,0,0,0,0|2,0,0]=4 1275 B21R2.2399614 CSCCNC(c1ccc(cc1)F)c2ccccc2Br 270004a_100020590264_100011267497 [0,2,0,0,0,0|2,0,0]=4 1276 B21R2.2399614 CSCCNC(c1ccc(cc1)F)c2ccccc2Cl 270004a_100020590264_100000297523 [0,2,0,0,0,0|2,0,0]=4 1277 B21R2.541 CC(CC#N)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100009813641 [0,2,0,0,0,0|2,0,0]=4 1278 B21R2.541 CC(CCO)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100009893172 [0,2,0,0,0,0|2,0,0]=4 1279 B21R2.541 CC(CCO)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100009893172 [0,2,0,0,0,0|2,0,0]=4 1280 B21R2.541 CCCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000211992_100009813428 [0,2,0,0,0,0|2,0,0]=4 1281 B21R2.541 CCCC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000747444 [0,2,0,0,0,0|2,0,0]=4 1282 B21R2.541 CCCC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000747444 [0,2,0,0,0,0|1,0,0]=3 1283 B21R2.541 CCCC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000747444 [0,2,0,0,0,0|2,0,0]=4 1284 B21R2.541 CCCC(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_100000210303 [0,2,0,0,0,0|1,1,0]=4 1285 B21R2.541 CCCC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000747444 [0,2,0,0,0,0|1,1,0]=4 1286 B21R2.541 CCCC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000747444_100011216954 [0,2,0,0,0,0|1,1,0]=4 1287 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011216630 [0,2,0,0,0,0|2,0,0]=4 1288 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000243154 [0,2,0,0,0,0|2,0,0]=4 1289 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011216630 [0,2,0,0,0,0|2,0,0]=4 1290 B21R2.541 CCCC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011216630 [0,2,0,0,0,0|2,0,0]=4 1291 B21R2.541 CCCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000766640 [0,2,0,0,0,0|2,0,0]=4 1292 B21R2.541 CCCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000211909 [0,2,0,0,0,0|2,0,0]=4 1293 B21R2.541 CCCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000766640 [0,2,0,0,0,0|2,0,0]=4 1294 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000747261_100009813428 [0,2,0,0,0,0|2,0,0]=4 1295 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210303 [0,2,0,0,0,0|2,0,0]=4 1296 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000747261_100009813428 [0,2,0,0,0,0|2,0,0]=4 1297 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210303 [0,2,0,0,0,0|2,0,0]=4 1298 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210303 [0,2,0,0,0,0|2,0,0]=4 1299 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000183381 [0,2,0,0,0,0|1,0,1]=4 1300 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100016988866_100000211591 [0,2,0,0,0,0|1,0,1]=4 1301 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 270004a_100016988866_100000210122 [0,2,0,0,0,0|1,0,1]=4 1302 B21R2.541 CCNC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000183381 [0,2,0,0,0,0|1,0,1]=4 1303 B21R2.541 CCNC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000183381 [0,2,0,0,0,0|0,0,1]=3 1304 B21R2.541 CCNC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000183381 [0,2,0,0,0,0|0,0,1]=3 1305 B21R2.541 CCNC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000183381 [0,2,0,0,0,0|1,0,1]=4 1306 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 11a_100015525214_100000683935 [0,2,0,0,0,0|0,1,1]=4 1307 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 240690a_100015525214_100000683935 [0,2,0,0,0,0|0,1,1]=4 1308 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 527a_100015525214_100000683935 [0,2,0,0,0,0|0,1,1]=4 1309 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000183381_100011216954 [0,2,0,0,0,0|0,1,1]=4 1310 B21R2.541 CCNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000183381 [0,2,0,0,0,0|0,1,1]=4 1311 B21R2.541 CCOC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000188475 [0,2,0,0,0,0|1,0,1]=4 1312 B21R2.541 CCOC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000188475 [0,2,0,0,0,0|1,0,1]=4 1313 B21R2.541 CNCC(=O)NCC(c1ccccc1)c2ccccc2 2230a_106832991635_200000735016 [0,2,0,0,0,0|1,0,1]=4 1314 B21R2.541 CNCC(=O)NCC(c1ccccc1)c2ccccc2 7a_106832991635_200000735016 [0,2,0,0,0,0|1,0,1]=4 1315 B21R2.541 CNNC(=O)CSC(c1ccccc1)c2ccccc2 22a_100016993582_100000683935 [0,2,0,0,0,0|0,1,1]=4 1316 B21R2.541 COCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000210968_100009813428 [0,2,0,0,0,0|2,0,0]=4 1317 B21R2.541 COCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000765312 [0,2,0,0,0,0|2,0,0]=4 1318 B21R2.541 COCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000749346 [0,2,0,0,0,0|2,0,0]=4 1319 B21R2.541 COCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000765312 [0,2,0,0,0,0|2,0,0]=4 1320 B21R2.541 COCC(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100000765312 [0,2,0,0,0,0|1,0,0]=3 1321 B21R2.541 COCC(C)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100000765312 [0,2,0,0,0,0|1,0,0]=3 1322 B21R2.541 COCC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000756049_100000211591 [0,2,0,0,0,0|2,0,0]=4 1323 B21R2.541 COCC(O)CNC(c1ccccc1)c2ccccc2 270004a_100000756049_100000210122 [0,2,0,0,0,0|2,0,0]=4 1324 B21R2.541 COCC(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011215053 [0,2,0,0,0,0|2,0,0]=4 1325 B21R2.541 COCC(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011215053 [0,2,0,0,0,0|1,0,0]=3 1326 B21R2.541 COCC(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100011215053 [0,2,0,0,0,0|1,0,0]=3 1327 B21R2.541 COCC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011215053 [0,2,0,0,0,0|2,0,0]=4 1328 B21R2.541 COCC(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215053 [0,2,0,0,0,0|1,1,0]=4 1329 B21R2.541 COCC(O)CSC(c1ccccc1)c2ccccc2 62a_100011215053_100011216954 [0,2,0,0,0,0|1,1,0]=4 1330 B21R2.541 COCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000766300 [0,2,0,0,0,0|2,0,0]=4 1331 B21R2.541 COCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000766300 [0,2,0,0,0,0|2,0,0]=4 1332 B21R2.541 CSCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000184570_100009813428 [0,2,0,0,0,0|2,0,0]=4 1333 B21R2.541 CSCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100011216314 [0,2,0,0,0,0|2,0,0]=4 1334 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011218213 [0,2,0,0,0,0|2,0,0]=4 1335 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011218213 [0,2,0,0,0,0|2,0,0]=4 1336 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011218213 [0,2,0,0,0,0|2,0,0]=4 1337 B21R2.541 N#CC[C@H](O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000001066 [0,2,0,0,0,0|1,0,1]=4 1338 B21R2.541 O=C(CNC(c1ccccc1)c2ccccc2)NCO 2230a_100000162943_100000185155 [0,2,0,0,0,0|1,0,1]=4 1339 B21R2.541 O=C(CNC(c1ccccc1)c2ccccc2)NCO 34a_100000162943_100000185155 [0,2,0,0,0,0|1,0,1]=4 1340 B21R2.541 O=C(COC(c1ccccc1)c2ccccc2)NCO 34a_100000211180_100000185155 [0,2,0,0,0,0|0,0,1]=3 1341 B21R2.541 O=C(COC(c1ccccc1)c2ccccc2)NCO 7a_100000211180_100000185155 [0,2,0,0,0,0|0,0,1]=3 1342 B21R2.541 O=C(COC(c1ccccc1)c2ccccn2)NCO 7a_100000180852_100000185155 [0,2,0,0,0,0|1,0,1]=4 1343 B21R2.541 O=C(CSC(c1ccccc1)c2ccccc2)NCO 62a_100000185155_100011216954 [0,2,0,0,0,0|0,1,1]=4 1344 B21R2.541 O=C(CSC(c1ccccc1)c2ccccc2)NCO 62a_100000211591_100000185155 [0,2,0,0,0,0|0,1,1]=4 1345 B21R2.2330 CCCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210326 [0,2,0,0,0,0|2,0,0]=4 1346 B21R2.2330 CCCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000212188_100011216954 [0,2,0,0,0,0|2,0,0]=4 1347 B21R2.2330 CCCCCN(C)C(c1ccccc1)c2ccccc2 2230a_100000223495_100000211591 [0,2,0,0,0,0|2,0,0]=4 1348 B21R2.2330 CCCCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210326 [0,2,0,0,0,0|2,0,0]=4 1349 B21R2.2330 CCCCCN(C)C(c1ccccc1)c2ccccc2 269982a_100000223495_100000211591 [0,2,0,0,0,0|2,0,0]=4 1350 B21R2.2330 CCCCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210215 [0,2,0,0,0,0|2,0,0]=4 1351 B21R2.2330 CCCCCN(C)C(c1ccccc1)c2ccccc2 270004a_100000223495_100000210122 [0,2,0,0,0,0|2,0,0]=4 1352 B21R2.2330 CCCCNC(=O)C(c1ccccc1)c2ccccc2 11a_100000102301_100000210944 [0,2,0,0,0,0|2,0,0]=4 1353 B21R2.2330 CCCCNC(=O)C(c1ccccc1)c2ccccc2 1626a_100000102301_100000210944 [0,2,0,0,0,0|2,0,0]=4 1354 B21R2.2330 CCCCNC(=O)C(c1ccccc1)c2ccccc2 240690a_100000102301_100000210944 [0,2,0,0,0,0|2,0,0]=4 1355 B21R2.2330 CCCCNC(=O)C(c1ccccc1)c2ccccc2 527a_100000102301_100000210944 [0,2,0,0,0,0|2,0,0]=4 1356 B21R2.2330 CCCOCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000745993_100011216954 [0,2,0,0,0,0|2,0,0]=4 1357 B21R2.2330 CCCSCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000217233_100011216954 [0,2,0,0,0,0|2,0,0]=4 1358 B21R2.2330 CCOCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011215890 [0,2,0,0,0,0|2,0,0]=4 1359 B21R2.2330 CCOCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000749530_100011216954 [0,2,0,0,0,0|2,0,0]=4 1360 B21R2.2330 CCOCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100011215890 [0,2,0,0,0,0|2,0,0]=4 1361 B21R2.2330 CCOCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100011215890 [0,2,0,0,0,0|2,0,0]=4 1362 B21R2.2330 CCSCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000757381 [0,2,0,0,0,0|2,0,0]=4 1363 B21R2.2330 CCSCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000230768_100011216954 [0,2,0,0,0,0|2,0,0]=4 1364 B21R2.2330 CCSCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000757381 [0,2,0,0,0,0|2,0,0]=4 1365 B21R2.2330 CCSCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000757381 [0,2,0,0,0,0|2,0,0]=4 1366 B21R2.2330 CN(CCCCF)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000729493 [0,2,0,0,0,0|2,0,0]=4 1367 B21R2.2330 CN(CCCCF)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000729493 [0,2,0,0,0,0|2,0,0]=4 1368 B21R2.2330 CN(CCCCO)C(c1ccccc1)c2ccccc2 2230a_100000717598_100000211591 [0,2,0,0,0,0|2,0,0]=4 1369 B21R2.2330 CN(CCCCO)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210776 [0,2,0,0,0,0|2,0,0]=4 1370 B21R2.2330 CN(CCCCO)C(c1ccccc1)c2ccccc2 269982a_100000717598_100000211591 [0,2,0,0,0,0|2,0,0]=4 1371 B21R2.2330 CN(CCCCO)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210776 [0,2,0,0,0,0|2,0,0]=4 1372 B21R2.2330 CN(CCCCO)C(c1ccccc1)c2ccccc2 270004a_100000717598_100000210122 [0,2,0,0,0,0|2,0,0]=4 1373 B21R2.2330 COCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000740836 [0,2,0,0,0,0|2,0,0]=4 1374 B21R2.2330 COCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000741012_100011216954 [0,2,0,0,0,0|2,0,0]=4 1375 B21R2.2330 COCCCN(C)C(c1ccccc1)c2ccccc2 2230a_100000224831_100000211591 [0,2,0,0,0,0|2,0,0]=4 1376 B21R2.2330 COCCCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000740836 [0,2,0,0,0,0|2,0,0]=4 1377 B21R2.2330 COCCCN(C)C(c1ccccc1)c2ccccc2 269982a_100000224831_100000211591 [0,2,0,0,0,0|2,0,0]=4 1378 B21R2.2330 COCCCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000740836 [0,2,0,0,0,0|2,0,0]=4 1379 B21R2.2330 COCCCN(C)C(c1ccccc1)c2ccccc2 270004a_100000224831_100000210122 [0,2,0,0,0,0|2,0,0]=4 1380 B21R2.2330 COCCNC(=O)C(c1ccccc1)c2ccccc2 1626a_100000209980_100000210944 [0,2,0,0,0,0|2,0,0]=4 1381 B21R2.2330 COCCNC(=O)C(c1ccccc1)c2ccccc2 240690a_100000209980_100000210944 [0,2,0,0,0,0|2,0,0]=4 1382 B21R2.2330 COCCNC(=O)C(c1ccccc1)c2ccccc2 527a_100000209980_100000210944 [0,2,0,0,0,0|2,0,0]=4 1383 B21R2.2330 CSCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000173376_100011216954 [0,2,0,0,0,0|2,0,0]=4 1384 B21R2.2330 CSCCNC(=O)C(c1ccccc1)c2ccccc2 11a_100020590264_100000210944 [0,2,0,0,0,0|2,0,0]=4 1385 B21R2.2330 CSCCNC(=O)C(c1ccccc1)c2ccccc2 1626a_100020590264_100000210944 [0,2,0,0,0,0|2,0,0]=4 1386 B21R2.2330 CSCCNC(=O)C(c1ccccc1)c2ccccc2 240690a_100020590264_100000210944 [0,2,0,0,0,0|2,0,0]=4 1387 B21R2.2330 CSCCNC(=O)C(c1ccccc1)c2ccccc2 527a_100020590264_100000210944 [0,2,0,0,0,0|2,0,0]=4 1388 B21R2.2330 O=C(CCCCF)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000729493 [0,2,0,0,0,0|2,0,0]=4 1389 B21R2.2330 O=C(CCCCO)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210776 [0,2,0,0,0,0|2,0,0]=4 1390 B21R2.2330 O=C(CCCCO)C(c1ccccc1)c2ccccc2 1458a_100000695505_100011216954 [0,2,0,0,0,0|2,0,0]=4 1391 B21R2.2905 BrCCOCCOC(c1ccccc1)c2ccccc2 34a_100000211926_100000734929 [0,2,0,0,0,0|1,0,0]=3 1392 B21R2.2905 BrCCOCCOC(c1ccccc1)c2ccccc2 7a_100000692535_100011216954 [0,2,0,0,0,0|1,0,0]=3 1393 B21R2.2905 C#CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100010269958 [0,2,0,0,0,0|2,0,0]=4 1394 B21R2.2905 C#CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000706060_100000211591 [0,2,0,0,0,0|2,0,0]=4 1395 B21R2.2905 C#CCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100010269958 [0,2,0,0,0,0|2,0,0]=4 1396 B21R2.2905 C#CCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100010269958 [0,2,0,0,0,0|1,0,0]=3 1397 B21R2.2905 C#CCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100010269958 [0,2,0,0,0,0|1,0,0]=3 1398 B21R2.2905 C#CCCCCOC(c1ccccc1)c2ccccc2 7a_100000766709_100011216954 [0,2,0,0,0,0|1,0,0]=3 1399 B21R2.2905 C#CCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100010269958 [0,2,0,0,0,0|2,0,0]=4 1400 B21R2.2905 C#CCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000695029 [0,2,0,0,0,0|1,0,1]=4 1401 B21R2.2905 C#CCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011215417 [0,2,0,0,0,0|1,0,1]=4 1402 B21R2.2905 C#CCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000688953 [0,2,0,0,0,0|1,0,1]=4 1403 B21R2.2905 C#CCCOCCC(c1ccccc1)c2ccccc2 34a_100011215631_100009813428 [0,2,0,0,0,0|1,0,1]=4 1404 B21R2.2905 C#CCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000688953 [0,2,0,0,0,0|1,0,1]=4 1405 B21R2.2905 C#CCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000038162 [0,2,0,0,0,0|2,0,0]=4 1406 B21R2.2905 C#CCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000184674 [0,2,0,0,0,0|2,0,0]=4 1407 B21R2.2905 C#CCNCCOC(c1ccccc1)c2ccccc2 34a_100000212058_100000734929 [0,2,0,0,0,0|0,0,0]=2 1408 B21R2.2905 C#CCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100010402529 [0,2,0,0,0,0|2,0,0]=4 1409 B21R2.2905 C#CCOCCNC(c1ccccc1)c2ccccc2 2230a_100000700922_100000211591 [0,2,0,0,0,0|2,0,0]=4 1410 B21R2.2905 C#CCOCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100010402529 [0,2,0,0,0,0|2,0,0]=4 1411 B21R2.2905 C#CCOCCOC(c1ccccc1)c2ccccc2 34a_100000210247_100000734929 [0,2,0,0,0,0|1,0,0]=3 1412 B21R2.2905 C#CCOCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100010402529 [0,2,0,0,0,0|1,0,0]=3 1413 B21R2.2905 C#CCOCCOC(c1ccccc1)c2ccccc2 7a_100000054580_100011216954 [0,2,0,0,0,0|1,0,0]=3 1414 B21R2.2905 C#CCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100010402529 [0,2,0,0,0,0|1,0,0]=3 1415 B21R2.2905 C#CCOCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100010402529 [0,2,0,0,0,0|2,0,0]=4 1416 B21R2.2905 C#CCOCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100010402529 [0,2,0,0,0,0|1,1,0]=4 1417 B21R2.2905 C#CCOCCSC(c1ccccc1)c2ccccc2 62a_100010402529_100011216954 [0,2,0,0,0,0|1,1,0]=4 1418 B21R2.2905 C#CCSCCOC(c1ccccc1)c2ccccc2 62a_100000038162_100000734929 [0,2,0,0,0,0|1,0,0]=3 1419 B21R2.2905 C/C=C/CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100102629194 [0,2,0,0,0,0|2,0,0]=4 1420 B21R2.2905 C/C=C/COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100102629194 [0,2,0,0,0,0|1,0,1]=4 1421 B21R2.2905 C/C=C/COCCC(c1ccccc1)c2ccccc2 34a_100016270725_100009813428 [0,2,0,0,0,0|1,0,1]=4 1422 B21R2.2905 C/C=C/COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100102629194 [0,2,0,0,0,0|1,0,1]=4 1423 B21R2.2905 C=CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215482 [0,2,0,0,0,0|2,0,0]=4 1424 B21R2.2905 C=CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000703577_100000211591 [0,2,0,0,0,0|2,0,0]=4 1425 B21R2.2905 C=CCCCCNC(c1ccccc1)c2ccccc2 270004a_100000703577_100000210122 [0,2,0,0,0,0|2,0,0]=4 1426 B21R2.2905 C=CCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011215482 [0,2,0,0,0,0|2,0,0]=4 1427 B21R2.2905 C=CCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215482 [0,2,0,0,0,0|2,0,0]=4 1428 B21R2.2905 C=CCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000757094 [0,2,0,0,0,0|1,0,1]=4 1429 B21R2.2905 C=CCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000757094 [0,2,0,0,0,0|1,0,1]=4 1430 B21R2.2905 C=CCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000754431 [0,2,0,0,0,0|1,0,1]=4 1431 B21R2.2905 C=CCCOCCC(c1ccccc1)c2ccccc2 34a_100011205117_100009813428 [0,2,0,0,0,0|1,0,1]=4 1432 B21R2.2905 C=CCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000754431 [0,2,0,0,0,0|1,0,1]=4 1433 B21R2.2905 C=CCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210623 [0,2,0,0,0,0|2,0,0]=4 1434 B21R2.2905 C=CCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100015514636 [0,2,0,0,0,0|2,0,0]=4 1435 B21R2.2905 C=CCNCCOC(c1ccccc1)c2ccccc2 2230a_100020586998_100000734929 [0,2,0,0,0,0|0,0,0]=2 1436 B21R2.2905 C=CCOCCOC(c1ccccc1)c2ccccc2 34a_200000210373_100000734929 [0,2,0,0,0,0|1,0,0]=3 1437 B21R2.2905 C=CCOCCOC(c1ccccc1)c2ccccc2 7a_100000037705_100011216954 [0,2,0,0,0,0|1,0,0]=3 1438 B21R2.2905 C=CCSCCOC(c1ccccc1)c2ccccc2 62a_100000210623_100000734929 [0,2,0,0,0,0|1,0,0]=3 1439 B21R2.2905 C=CCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000210623 [0,2,0,0,0,0|1,0,0]=3 1440 B21R2.2905 C=COCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000039644 [0,2,0,0,0,0|1,0,1]=4 1441 B21R2.2905 C=COCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000039644 [0,2,0,0,0,0|1,0,1]=4 1442 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000748600 [0,2,0,0,0,0|2,0,0]=4 1443 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000685387_100009813428 [0,2,0,0,0,0|2,0,0]=4 1444 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000748600 [0,2,0,0,0,0|2,0,0]=4 1445 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 34a_100000685387_100009813428 [0,2,0,0,0,0|2,0,0]=4 1446 B21R2.2905 CC#CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000748600 [0,2,0,0,0,0|1,0,1]=4 1447 B21R2.2905 CC#CCOCCC(c1ccccc1)c2ccccc2 34a_100000761923_100009813428 [0,2,0,0,0,0|1,0,1]=4 1448 B21R2.2905 CC#CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000748600 [0,2,0,0,0,0|1,0,1]=4 1449 B21R2.2905 CC#CCSCCC(c1ccccc1)c2ccccc2 62a_100000748600_100009813428 [0,2,0,0,0,0|2,0,0]=4 1450 B21R2.2905 CC#CCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000748600 [0,2,0,0,0,0|2,0,0]=4 1451 B21R2.2905 CC/C=C\CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100015370543 [0,2,0,0,0,0|2,0,0]=4 1452 B21R2.2905 CC/C=C\CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100015370543 [0,2,0,0,0,0|2,0,0]=4 1453 B21R2.2905 CC/C=C\CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100015370543 [0,2,0,0,0,0|2,0,0]=4 1454 B21R2.2905 CC/C=C\COCC(c1ccccc1)c2ccccc2 34a_100011215272_100103147603 [0,2,0,0,0,0|1,0,1]=4 1455 B21R2.2905 CC/C=C\COCC(c1ccccc1)c2ccccc2 7a_100011215272_100103147603 [0,2,0,0,0,0|1,0,1]=4 1456 B21R2.2905 CC=CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000070051 [0,2,0,0,0,0|2,0,0]=4 1457 B21R2.2905 CC=CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000070051 [0,2,0,0,0,0|2,0,0]=4 1458 B21R2.2905 CC=CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000070051 [0,2,0,0,0,0|1,0,1]=4 1459 B21R2.2905 CC=CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000070051 [0,2,0,0,0,0|1,0,1]=4 1460 B21R2.2905 CCC#CCCOC(c1ccccc1)c2ccccc2 7a_100000036655_100011216954 [0,2,0,0,0,0|1,0,0]=3 1461 B21R2.2905 CCC#CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100009813939 [0,2,0,0,0,0|1,0,1]=4 1462 B21R2.2905 CCC#CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100009813939 [0,2,0,0,0,0|1,0,1]=4 1463 B21R2.2905 CCCC#CCOC(c1ccccc1)c2ccccc2 7a_100000034806_100011216954 [0,2,0,0,0,0|1,0,0]=3 1464 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210314 [0,2,0,0,0,0|2,0,0]=4 1465 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000210581_100000211591 [0,2,0,0,0,0|2,0,0]=4 1466 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 270004a_100000210581_100000210122 [0,2,0,0,0,0|2,0,0]=4 1467 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210314 [0,2,0,0,0,0|2,0,0]=4 1468 B21R2.2905 CCCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210314 [0,2,0,0,0,0|2,0,0]=4 1469 B21R2.2905 CCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210326 [0,2,0,0,0,0|2,0,0]=4 1470 B21R2.2905 CCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000718602 [0,2,0,0,0,0|2,0,0]=4 1471 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000102301_100009813428 [0,2,0,0,0,0|2,0,0]=4 1472 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210211 [0,2,0,0,0,0|2,0,0]=4 1473 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210210 [0,2,0,0,0,0|2,0,0]=4 1474 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 7a_106832991798_100009813428 [0,2,0,0,0,0|2,0,0]=4 1475 B21R2.2905 CCCCNN=CC(c1ccccc1)c2ccccc2 4a_100025702795_100000183636 [0,2,0,0,0,0|2,0,0]=4 1476 B21R2.2905 CCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210210 [0,2,0,0,0,0|2,0,0]=4 1477 B21R2.2905 CCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210211 [0,2,0,0,0,0|2,0,0]=4 1478 B21R2.2905 CCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000210227_100010140906 [0,2,0,0,0,0|2,0,0]=4 1479 B21R2.2905 CCCCOCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011995733 [0,2,0,0,0,0|1,0,0]=3 1480 B21R2.2905 CCCCOCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011995733 [0,2,0,0,0,0|1,0,0]=3 1481 B21R2.2905 CCCCOCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011995733 [0,2,0,0,0,0|2,0,0]=4 1482 B21R2.2905 CCCCOCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100011995733 [0,2,0,0,0,0|2,0,0]=4 1483 B21R2.2905 CCCCOCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100011995733 [0,2,0,0,0,0|2,0,0]=4 1484 B21R2.2905 CCCCOCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011995733 [0,2,0,0,0,0|1,0,0]=3 1485 B21R2.2905 CCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210303 [0,2,0,0,0,0|2,0,0]=4 1486 B21R2.2905 CCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000210303 [0,2,0,0,0,0|2,0,0]=4 1487 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215938 [0,2,0,0,0,0|2,0,0]=4 1488 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 2230a_100161115042_100000211591 [0,2,0,0,0,0|2,0,0]=4 1489 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 270004a_100161115042_100000210122 [0,2,0,0,0,0|2,0,0]=4 1490 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011215938 [0,2,0,0,0,0|2,0,0]=4 1491 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 34a_100000210258_100000734929 [0,2,0,0,0,0|1,0,0]=3 1492 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011215938 [0,2,0,0,0,0|1,0,0]=3 1493 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215938 [0,2,0,0,0,0|1,0,0]=3 1494 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 7a_100000752267_100011216954 [0,2,0,0,0,0|1,0,0]=3 1495 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215938 [0,2,0,0,0,0|2,0,0]=4 1496 B21R2.2905 CCCOCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215938 [0,2,0,0,0,0|1,1,0]=4 1497 B21R2.2905 CCCOCCSC(c1ccccc1)c2ccccc2 62a_100011215938_100011216954 [0,2,0,0,0,0|1,1,0]=4 1498 B21R2.2905 CCCSCCNC(c1ccccc1)c2ccccc2 2230a_100020603323_100000211591 [0,2,0,0,0,0|2,0,0]=4 1499 B21R2.2905 CCCSCCNC(c1ccccc1)c2ccccc2 270004a_100020603323_100000210122 [0,2,0,0,0,0|2,0,0]=4 1500 B21R2.2905 CCCSCCOC(c1ccccc1)c2ccccc2 62a_100000210303_100000734929 [0,2,0,0,0,0|1,0,0]=3 1501 B21R2.2905 CCCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000210303 [0,2,0,0,0,0|1,0,0]=3 1502 B21R2.2905 CCCSCCOC(c1ccccc1)c2ccccc2 7a_200000230433_100011216954 [0,2,0,0,0,0|1,0,0]=3 1503 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100012232248 [0,2,0,0,0,0|2,0,0]=4 1504 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 2230a_100000210961_100000211591 [0,2,0,0,0,0|2,0,0]=4 1505 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 270004a_100000210961_100000210122 [0,2,0,0,0,0|2,0,0]=4 1506 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100012232248 [0,2,0,0,0,0|2,0,0]=4 1507 B21R2.2905 CCOCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100012232248 [0,2,0,0,0,0|1,0,0]=3 1508 B21R2.2905 CCOCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100012232248 [0,2,0,0,0,0|1,0,0]=3 1509 B21R2.2905 CCOCCCOC(c1ccccc1)c2ccccc2 7a_100000757476_100011216954 [0,2,0,0,0,0|1,0,0]=3 1510 B21R2.2905 CCOCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100012232248 [0,2,0,0,0,0|2,0,0]=4 1511 B21R2.2905 CCOCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100012232248 [0,2,0,0,0,0|1,1,0]=4 1512 B21R2.2905 CCOCCCSC(c1ccccc1)c2ccccc2 62a_100012232248_100011216954 [0,2,0,0,0,0|1,1,0]=4 1513 B21R2.2905 CCOCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011215890 [0,2,0,0,0,0|2,0,0]=4 1514 B21R2.2905 CCOCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210147 [0,2,0,0,0,0|2,0,0]=4 1515 B21R2.2905 CCOCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210147 [0,2,0,0,0,0|1,0,0]=3 1516 B21R2.2905 CCOCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011215890 [0,2,0,0,0,0|1,0,0]=3 1517 B21R2.2905 CCOCSCCC(c1ccccc1)c2ccccc2 62a_100000739092_100009813428 [0,2,0,0,0,0|2,0,0]=4 1518 B21R2.2905 CCOCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000739092 [0,2,0,0,0,0|2,0,0]=4 1519 B21R2.2905 CCSCCCOC(c1ccccc1)c2ccccc2 7a_100011216438_100011216954 [0,2,0,0,0,0|1,0,0]=3 1520 B21R2.2905 CCSCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000757381 [0,2,0,0,0,0|2,0,0]=4 1521 B21R2.2905 CCSCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000757381 [0,2,0,0,0,0|2,0,0]=4 1522 B21R2.2905 CCSCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000757381 [0,2,0,0,0,0|1,0,0]=3 1523 B21R2.2905 CCSCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000757381 [0,2,0,0,0,0|1,0,0]=3 1524 B21R2.2905 COCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730899 [0,2,0,0,0,0|2,0,0]=4 1525 B21R2.2905 COCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000755781 [0,2,0,0,0,0|2,0,0]=4 1526 B21R2.2905 COCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000755781 [0,2,0,0,0,0|1,0,0]=3 1527 B21R2.2905 COCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000730899 [0,2,0,0,0,0|1,0,0]=3 1528 B21R2.2905 COCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000730899 [0,2,0,0,0,0|2,0,0]=4 1529 B21R2.2905 COCCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000730899 [0,2,0,0,0,0|1,1,0]=4 1530 B21R2.2905 COCCCCSC(c1ccccc1)c2ccccc2 62a_100000730899_100011216954 [0,2,0,0,0,0|1,1,0]=4 1531 B21R2.2905 COCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000740836 [0,2,0,0,0,0|2,0,0]=4 1532 B21R2.2905 COCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000740836 [0,2,0,0,0,0|2,0,0]=4 1533 B21R2.2905 COCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000740836 [0,2,0,0,0,0|1,0,0]=3 1534 B21R2.2905 COCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000740836 [0,2,0,0,0,0|1,0,0]=3 1535 B21R2.2905 COCCNCCC(c1ccccc1)c2ccccc2 2230a_100000209980_100009813428 [0,2,0,0,0,0|2,0,0]=4 1536 B21R2.2905 COCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011201679 [0,2,0,0,0,0|2,0,0]=4 1537 B21R2.2905 COCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011201679 [0,2,0,0,0,0|2,0,0]=4 1538 B21R2.2905 COCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011201679 [0,2,0,0,0,0|1,0,0]=3 1539 B21R2.2905 COCCOCCC(c1ccccc1)c2ccccc2 34a_100000210237_100009813428 [0,2,0,0,0,0|1,0,0]=3 1540 B21R2.2905 COCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000233755 [0,2,0,0,0,0|1,0,0]=3 1541 B21R2.2905 COCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100011201679 [0,2,0,0,0,0|2,0,0]=4 1542 B21R2.2905 COCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000233755 [0,2,0,0,0,0|2,0,0]=4 1543 B21R2.2905 COCCOCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000231047 [0,2,0,0,0,0|1,0,0]=3 1544 B21R2.2905 COCCOCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000231047 [0,2,0,0,0,0|2,0,0]=4 1545 B21R2.2905 COCCOCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000231047 [0,2,0,0,0,0|2,0,0]=4 1546 B21R2.2905 COCCOCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000231047 [0,2,0,0,0,0|2,0,0]=4 1547 B21R2.2905 COCCOCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000231047 [0,2,0,0,0,0|1,0,0]=3 1548 B21R2.2905 COCCOCSC(c1ccccc1)c2ccccc2 62a_100000231047_100011216954 [0,2,0,0,0,0|1,0,0]=3 1549 B21R2.2905 COCCSCCC(c1ccccc1)c2ccccc2 62a_100000233755_100009813428 [0,2,0,0,0,0|1,1,0]=4 1550 B21R2.2905 COCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000233755 [0,2,0,0,0,0|1,1,0]=4 1551 B21R2.2905 COCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000766300 [0,2,0,0,0,0|2,0,0]=4 1552 B21R2.2905 COCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000766300 [0,2,0,0,0,0|1,0,0]=3 1553 B21R2.2905 COCSCCOC(c1ccccc1)c2ccccc2 62a_100000766300_100000734929 [0,2,0,0,0,0|1,0,0]=3 1554 B21R2.2905 CSCCCCOC(c1ccccc1)c2ccccc2 7a_100011217163_100011216954 [0,2,0,0,0,0|1,0,0]=3 1555 B21R2.2905 CSCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000751147 [0,2,0,0,0,0|2,0,0]=4 1556 B21R2.2905 CSCCNCCC(c1ccccc1)c2ccccc2 2230a_100020590264_100009813428 [0,2,0,0,0,0|2,0,0]=4 1557 B21R2.2905 CSCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000212216 [0,2,0,0,0,0|2,0,0]=4 1558 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000212216 [0,2,0,0,0,0|1,0,0]=3 1559 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 34a_100000230434_100009813428 [0,2,0,0,0,0|1,0,0]=3 1560 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000212216 [0,2,0,0,0,0|1,0,0]=3 1561 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 7a_100000230434_100009813428 [0,2,0,0,0,0|1,0,0]=3 1562 B21R2.2905 CSCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000212216 [0,2,0,0,0,0|2,0,0]=4 1563 B21R2.2905 CSCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000212216 [0,2,0,0,0,0|2,0,0]=4 1564 B21R2.2905 CSCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000230434_100010140906 [0,2,0,0,0,0|2,0,0]=4 1565 B21R2.2905 CSCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100011218213 [0,2,0,0,0,0|2,0,0]=4 1566 B21R2.2905 CSCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100011218213 [0,2,0,0,0,0|2,0,0]=4 1567 B21R2.2905 CSCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100011218213 [0,2,0,0,0,0|1,0,0]=3 1568 B21R2.2905 CSCSCCOC(c1ccccc1)c2ccccc2 62a_100011218213_100000734929 [0,2,0,0,0,0|1,0,0]=3 1569 B21R2.2905 ClCCCOCCC(c1ccccc1)c2ccccc2 34a_100000230001_100009813428 [0,2,0,0,0,0|2,0,0]=4 1570 B21R2.2905 ClCCOCCOC(c1ccccc1)c2ccccc2 7a_100011215305_100011216954 [0,2,0,0,0,0|1,0,0]=3 1571 B21R2.2905 FCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000729378 [0,2,0,0,0,0|2,0,0]=4 1572 B21R2.2905 FCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000729378 [0,2,0,0,0,0|2,0,0]=4 1573 B21R2.2905 FCCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000729378 [0,2,0,0,0,0|1,0,0]=3 1574 B21R2.2905 FCCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000729378 [0,2,0,0,0,0|1,0,0]=3 1575 B21R2.2905 FCCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000729378 [0,2,0,0,0,0|2,0,0]=4 1576 B21R2.2905 FCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000729493 [0,2,0,0,0,0|2,0,0]=4 1577 B21R2.2905 FCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000729493 [0,2,0,0,0,0|2,0,0]=4 1578 B21R2.2905 FCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000729493 [0,2,0,0,0,0|1,0,0]=3 1579 B21R2.2905 FCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000729493 [0,2,0,0,0,0|1,0,0]=3 1580 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011934791 [0,2,0,0,0,0|2,0,0]=4 1581 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 2230a_100015189416_100009813428 [0,2,0,0,0,0|2,0,0]=4 1582 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011934791 [0,2,0,0,0,0|2,0,0]=4 1583 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 34a_100015189416_100009813428 [0,2,0,0,0,0|2,0,0]=4 1584 B21R2.2905 FCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011934791 [0,2,0,0,0,0|2,0,0]=4 1585 B21R2.2905 FCCCOCCC(c1ccccc1)c2ccccc2 34a_100000759539_100009813428 [0,2,0,0,0,0|2,0,0]=4 1586 B21R2.2905 FCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011934791 [0,2,0,0,0,0|2,0,0]=4 1587 B21R2.2905 FCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100011217306 [0,2,0,0,0,0|2,0,0]=4 1588 B21R2.2905 FCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100011217306 [0,2,0,0,0,0|2,0,0]=4 1589 B21R2.2905 FCCNCCOC(c1ccccc1)c2ccccc2 34a_100000724931_100000734929 [0,2,0,0,0,0|0,0,0]=2 1590 B21R2.2905 FCCOCCOC(c1ccccc1)c2ccccc2 7a_200015357709_100011216954 [0,2,0,0,0,0|1,0,0]=3 1591 B21R2.2905 FCCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100011217306 [0,2,0,0,0,0|1,0,0]=3 1592 B21R2.2905 FCCSCCOC(c1ccccc1)c2ccccc2 62a_100011217306_100000734929 [0,2,0,0,0,0|1,0,0]=3 1593 B21R2.2905 ICCOCCOC(c1ccccc1)c2ccccc2 7a_100012149058_100011216954 [0,2,0,0,0,0|1,0,0]=3 1594 B21R2.2905 N#CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000211819 [0,2,0,0,0,0|2,0,0]=4 1595 B21R2.2905 N#CCCCCNC(c1ccccc1)c2ccccc2 270004a_100000751965_100000210122 [0,2,0,0,0,0|2,0,0]=4 1596 B21R2.2905 N#CCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000211819 [0,2,0,0,0,0|1,0,0]=3 1597 B21R2.2905 N#CCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000211819 [0,2,0,0,0,0|2,0,0]=4 1598 B21R2.2905 N#CCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000687738 [0,2,0,0,0,0|1,0,1]=4 1599 B21R2.2905 N#CCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000184422 [0,2,0,0,0,0|2,0,0]=4 1600 B21R2.2905 N#CCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100011215382 [0,2,0,0,0,0|2,0,0]=4 1601 B21R2.2905 N#CCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200000047693 [0,2,0,0,0,0|2,0,0]=4 1602 B21R2.2905 N#CCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_200000047693 [0,2,0,0,0,0|1,0,0]=3 1603 B21R2.2905 N#CCOCCOC(c1ccccc1)c2ccccn2 7a_100000180852_200000047693 [0,2,0,0,0,0|2,0,0]=4 1604 B21R2.2905 N#CCOCCSC(c1ccccc1)c2ccccc2 62a_100000211591_200000047693 [0,2,0,0,0,0|1,1,0]=4 1605 B21R2.2905 N#CCOCCSC(c1ccccc1)c2ccccc2 62a_200000047693_100011216954 [0,2,0,0,0,0|1,1,0]=4 1606 B21R2.2905 N#CCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100011215382 [0,2,0,0,0,0|1,0,0]=3 1607 B21R2.2905 N#CCSCCOC(c1ccccc1)c2ccccc2 62a_100011215382_100000734929 [0,2,0,0,0,0|1,0,0]=3 1608 B21R2.2905 NCCCOCCC(c1ccccc1)c2ccccc2 34a_100000182051_100009813428 [0,2,0,0,0,0|2,0,0]=4 1609 B21R2.2905 NCCOCCOC(c1ccccc1)c2ccccc2 34a_100000210304_100000734929 [0,2,0,0,0,0|1,0,0]=3 1610 B21R2.2905 NOCCOCCC(c1ccccc1)c2ccccc2 34a_100000700252_100009813428 [0,2,0,0,0,0|2,0,0]=4 1611 B21R2.2905 O=CCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000139335 [0,2,0,0,0,0|2,0,0]=4 1612 B21R2.2905 O=CCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000139335 [0,2,0,0,0,0|1,0,0]=3 1613 B21R2.2905 O=CCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000139335 [0,2,0,0,0,0|2,0,0]=4 1614 B21R2.2905 O=CCCCCSC(c1ccccc1)c2ccccc2 62a_100000139335_100011216954 [0,2,0,0,0,0|1,1,0]=4 1615 B21R2.2905 O=CCCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000139335 [0,2,0,0,0,0|1,1,0]=4 1616 B21R2.2905 O=CCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_200011292268 [0,2,0,0,0,0|1,0,1]=4 1617 B21R2.2905 O=CCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200015260668 [0,2,0,0,0,0|2,0,0]=4 1618 B21R2.2905 O=CCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200009817547 [0,2,0,0,0,0|2,0,0]=4 1619 B21R2.2905 O=CCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_200015260668 [0,2,0,0,0,0|1,0,0]=3 1620 B21R2.2905 O=CCSCCOC(c1ccccc1)c2ccccc2 62a_200015260668_100000734929 [0,2,0,0,0,0|1,0,0]=3 1621 B21R2.2905 OCC#CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_200000047223 [0,2,0,0,0,0|1,0,1]=4 1622 B21R2.2905 OCC#CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_200000047223 [0,2,0,0,0,0|1,0,1]=4 1623 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000746330 [0,2,0,0,0,0|2,0,0]=4 1624 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000762737_100000211591 [0,2,0,0,0,0|2,0,0]=4 1625 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 270004a_100000762737_100000210122 [0,2,0,0,0,0|2,0,0]=4 1626 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000746330 [0,2,0,0,0,0|2,0,0]=4 1627 B21R2.2905 OCCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000746330 [0,2,0,0,0,0|1,0,0]=3 1628 B21R2.2905 OCCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000746330 [0,2,0,0,0,0|1,0,0]=3 1629 B21R2.2905 OCCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000746330 [0,2,0,0,0,0|2,0,0]=4 1630 B21R2.2905 OCCCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000746330 [0,2,0,0,0,0|1,1,0]=4 1631 B21R2.2905 OCCCCCSC(c1ccccc1)c2ccccc2 62a_100000746330_100011216954 [0,2,0,0,0,0|1,1,0]=4 1632 B21R2.2905 OCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210776 [0,2,0,0,0,0|2,0,0]=4 1633 B21R2.2905 OCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011216708 [0,2,0,0,0,0|2,0,0]=4 1634 B21R2.2905 OCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011216708 [0,2,0,0,0,0|1,0,0]=3 1635 B21R2.2905 OCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210776 [0,2,0,0,0,0|1,0,0]=3 1636 B21R2.2905 OCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000230001 [0,2,0,0,0,0|2,0,0]=4 1637 B21R2.2905 OCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000230001 [0,2,0,0,0,0|2,0,0]=4 1638 B21R2.2905 OCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000230001 [0,2,0,0,0,0|2,0,0]=4 1639 B21R2.2905 OCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215043 [0,2,0,0,0,0|2,0,0]=4 1640 B21R2.2905 OCCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011215043 [0,2,0,0,0,0|2,0,0]=4 1641 B21R2.2905 OCCCSCCC(c1ccccc1)c2ccccc2 62a_100011215043_100009813428 [0,2,0,0,0,0|2,0,0]=4 1642 B21R2.2905 OCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000211926 [0,2,0,0,0,0|2,0,0]=4 1643 B21R2.2905 OCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000211926 [0,2,0,0,0,0|2,0,0]=4 1644 B21R2.2905 OCCNCCOC(c1ccccc1)c2ccccc2 2230a_100016997473_100000734929 [0,2,0,0,0,0|0,0,0]=2 1645 B21R2.2905 OCCNCCOC(c1ccccc1)c2ccccc2 34a_100016990907_100000734929 [0,2,0,0,0,0|0,0,0]=2 1646 B21R2.2905 OCCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215305 [0,2,0,0,0,0|2,0,0]=4 1647 B21R2.2905 OCCOCCNC(c1ccccc1)c2ccccc2 2230a_100000211614_100000211591 [0,2,0,0,0,0|2,0,0]=4 1648 B21R2.2905 OCCOCCNC(c1ccccc1)c2ccccc2 270004a_100000211614_100000210122 [0,2,0,0,0,0|2,0,0]=4 1649 B21R2.2905 OCCOCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000692535 [0,2,0,0,0,0|2,0,0]=4 1650 B21R2.2905 OCCOCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000692535 [0,2,0,0,0,0|1,0,0]=3 1651 B21R2.2905 OCCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215305 [0,2,0,0,0,0|1,0,0]=3 1652 B21R2.2905 OCCOCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215305 [0,2,0,0,0,0|2,0,0]=4 1653 B21R2.2905 OCCOCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215305 [0,2,0,0,0,0|1,1,0]=4 1654 B21R2.2905 OCCOCCSC(c1ccccc1)c2ccccc2 62a_100011215305_100011216954 [0,2,0,0,0,0|1,1,0]=4 1655 B21R2.2905 OCCSCCNC(c1ccccc1)c2ccccc2 2230a_100011219999_100000211591 [0,2,0,0,0,0|2,0,0]=4 1656 B21R2.2905 OCCSCCNC(c1ccccc1)c2ccccc2 270004a_100011219999_100000210122 [0,2,0,0,0,0|2,0,0]=4 1657 B21R2.2905 OCCSCCOC(c1ccccc1)c2ccccc2 62a_100000211926_100000734929 [0,2,0,0,0,0|1,0,0]=3 1658 B21R2.2905 OCCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000211926 [0,2,0,0,0,0|1,0,0]=3 1659 B21R2.7555 C#CCCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100011215417 [0,2,0,0,0,0|1,0,1]=4 1660 B21R2.7555 C=CCCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000757094 [0,2,0,0,0,0|1,0,1]=4 1661 B21R2.7555 C=COCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000039644 [0,2,0,0,0,0|1,0,1]=4 1662 B21R2.7555 CC(OCC#CCO)(c1ccccc1)c2ccccc2 7a_100011202337_200000047223 [0,2,0,0,0,0|1,0,1]=4 1663 B21R2.7555 CC(OCCCC#N)(c1ccccc1)c2ccccc2 7a_100011202337_100000687738 [0,2,0,0,0,0|1,0,1]=4 1664 B21R2.7555 CC(OCCCC=O)(c1ccccc1)c2ccccc2 7a_100011202337_200011292268 [0,2,0,0,0,0|1,0,1]=4 1665 B21R2.7555 CC(OCCCCF)(c1ccccc1)c2ccccc2 7a_100011202337_100000729493 [0,2,0,0,0,0|1,0,0]=3 1666 B21R2.7555 CC(OCCCCF)(c1ccccc1)c2ccccn2 7a_200000075192_100000729493 [0,2,0,0,0,0|2,0,0]=4 1667 B21R2.7555 CC(OCCCCO)(c1ccccc1)c2ccccc2 7a_100011202337_100000210776 [0,2,0,0,0,0|1,0,0]=3 1668 B21R2.7555 CC(OCCCCO)(c1ccccc1)c2ccccn2 7a_200000075192_100000210776 [0,2,0,0,0,0|2,0,0]=4 1669 B21R2.7555 CC/C=C\COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100103147603 [0,2,0,0,0,0|1,0,1]=4 1670 B21R2.7555 CCC#CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100009813939 [0,2,0,0,0,0|1,0,1]=4 1671 B21R2.7555 CCCCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210326 [0,2,0,0,0,0|2,0,0]=4 1672 B21R2.7555 CCCCNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000210211 [0,2,0,0,0,0|2,0,0]=4 1673 B21R2.7555 CCCCOCP(=O)(c1ccccc1)c2ccccc2 34a_200000030349_100000210210 [0,2,0,0,0,0|2,0,0]=4 1674 B21R2.7555 CCCCOCP(=O)(c1ccccc1)c2ccccc2 7a_200000030349_100000210211 [0,2,0,0,0,0|2,0,0]=4 1675 B21R2.7555 CCOCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100011215890 [0,2,0,0,0,0|1,0,0]=3 1676 B21R2.7555 CCOCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100011215890 [0,2,0,0,0,0|2,0,0]=4 1677 B21R2.7555 CCSCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000757381 [0,2,0,0,0,0|1,0,0]=3 1678 B21R2.7555 CCSCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000757381 [0,2,0,0,0,0|2,0,0]=4 1679 B21R2.7555 COCCCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000740836 [0,2,0,0,0,0|1,0,0]=3 1680 B21R2.7555 COCCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000740836 [0,2,0,0,0,0|2,0,0]=4 1681 B21R2.7555 COCCNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100011201679 [0,2,0,0,0,0|2,0,0]=4 1682 B21R2.7555 COCCOCP(=O)(c1ccccc1)c2ccccc2 34a_200000030349_100011201679 [0,2,0,0,0,0|2,0,0]=4 1683 B21R2.7555 COCCOCP(=O)(c1ccccc1)c2ccccc2 7a_200000030349_100000233755 [0,2,0,0,0,0|2,0,0]=4 1684 B21R2.7555 CSCCNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000751147 [0,2,0,0,0,0|2,0,0]=4 1685 B21R2.7555 CSCCOCP(=O)(c1ccccc1)c2ccccc2 34a_200000030349_100000212216 [0,2,0,0,0,0|2,0,0]=4 1686 B21R2.7555 CSCCOCP(=O)(c1ccccc1)c2ccccc2 7a_200000030349_100000212216 [0,2,0,0,0,0|2,0,0]=4 1687 B21R2.12898 C=C(C)CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000730704 [0,2,0,0,0,0|2,0,0]=4 1688 B21R2.12898 C=C(C)CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000730704 [0,2,0,0,0,0|2,0,0]=4 1689 B21R2.12898 C=C(C)CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000730704 [0,2,0,0,0,0|1,0,0]=3 1690 B21R2.12898 C=C(C)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000730704 [0,2,0,0,0,0|1,0,0]=3 1691 B21R2.12898 C=C(C)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000748629 [0,2,0,0,0,0|2,0,0]=4 1692 B21R2.12898 C=C(C)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000748629 [0,2,0,0,0,0|2,0,0]=4 1693 B21R2.12898 C=C(C)COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000748629 [0,2,0,0,0,0|2,0,0]=4 1694 B21R2.12898 C=C(C)COCCC(c1ccccc1)c2ccccc2 34a_100000210245_100009813428 [0,2,0,0,0,0|2,0,0]=4 1695 B21R2.12898 C=C(C)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000748629 [0,2,0,0,0,0|2,0,0]=4 1696 B21R2.12898 CC(=CCCNC(c1ccccc1)c2ccccc2)C 2230a_100000162943_100011217483 [0,2,0,0,0,0|2,0,0]=4 1697 B21R2.12898 CC(=CCCNC(c1ccccc1)c2ccccc2)C 34a_100000162943_100011217483 [0,2,0,0,0,0|2,0,0]=4 1698 B21R2.12898 CC(=CCCOC(c1ccccc1)c2ccccn2)C 7a_100000180852_100011217483 [0,2,0,0,0,0|2,0,0]=4 1699 B21R2.12898 CC(=CCOCC(c1ccccc1)c2ccccc2)C 34a_100011215272_100000761012 [0,2,0,0,0,0|1,0,1]=4 1700 B21R2.12898 CC(=CCOCC(c1ccccc1)c2ccccc2)C 7a_100011215272_100000761012 [0,2,0,0,0,0|1,0,1]=4 1701 B21R2.12898 CC(=O)CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000685027 [0,2,0,0,0,0|2,0,0]=4 1702 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000685027 [0,2,0,0,0,0|1,0,0]=3 1703 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215641 [0,2,0,0,0,0|1,0,0]=3 1704 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccc2 7a_100000759063_100011216954 [0,2,0,0,0,0|1,0,0]=3 1705 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215641 [0,2,0,0,0,0|2,0,0]=4 1706 B21R2.12898 CC(=O)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215641 [0,2,0,0,0,0|1,1,0]=4 1707 B21R2.12898 CC(=O)CCCSC(c1ccccc1)c2ccccc2 62a_100011215641_100011216954 [0,2,0,0,0,0|1,1,0]=4 1708 B21R2.12898 CC(=O)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000053229 [0,2,0,0,0,0|1,0,0]=3 1709 B21R2.12898 CC(=O)COCCC(c1ccccc1)c2ccccc2 34a_100000211253_100009813428 [0,2,0,0,0,0|2,0,0]=4 1710 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 11a_100016990410_100015343762 [0,2,0,0,0,0|2,0,0]=4 1711 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 1626a_100016990410_100015343762 [0,2,0,0,0,0|2,0,0]=4 1712 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 240690a_100016990410_100015343762 [0,2,0,0,0,0|2,0,0]=4 1713 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 527a_100016990410_100103153847 [0,2,0,0,0,0|2,0,0]=4 1714 B21R2.12898 CC(=O)NCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000189650 [0,2,0,0,0,0|1,0,0]=3 1715 B21R2.12898 CC(=O)NCCNC(c1ccccc1)c2ccccc2 2230a_100000209853_100000211591 [0,2,0,0,0,0|1,0,0]=3 1716 B21R2.12898 CC(=O)NCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000189650 [0,2,0,0,0,0|2,0,0]=4 1717 B21R2.12898 CC(=O)NCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000189650 [0,2,0,0,0,0|2,0,0]=4 1718 B21R2.12898 CC(=O)NCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000189650 [0,2,0,0,0,0|2,0,0]=4 1719 B21R2.12898 CC(=O)NCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000189650 [0,2,0,0,0,0|0,0,0]=2 1720 B21R2.12898 CC(=O)NCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000189650 [0,2,0,0,0,0|1,0,0]=3 1721 B21R2.12898 CC(=O)NCCSC(c1ccccc1)c2ccccc2 62a_100000189650_100011216954 [0,2,0,0,0,0|0,1,0]=3 1722 B21R2.12898 CC(=O)NCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000189650 [0,2,0,0,0,0|0,1,0]=3 1723 B21R2.12898 CC(=O)OCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100009814007 [0,2,0,0,0,0|2,0,0]=4 1724 B21R2.12898 CC(=O)OCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100009814007 [0,2,0,0,0,0|1,0,0]=3 1725 B21R2.12898 CC(=O)OCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100009814007 [0,2,0,0,0,0|1,0,0]=3 1726 B21R2.12898 CC(=O)OCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100009814007 [0,2,0,0,0,0|2,0,0]=4 1727 B21R2.12898 CC(=O)OCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100009814007 [0,2,0,0,0,0|1,1,0]=4 1728 B21R2.12898 CC(=O)OCCSC(c1ccccc1)c2ccccc2 62a_100009814007_100011216954 [0,2,0,0,0,0|1,1,0]=4 1729 B21R2.12898 CC(=O)OCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100009813279 [0,2,0,0,0,0|2,0,0]=4 1730 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011214892 [0,2,0,0,0,0|2,0,0]=4 1731 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 2230a_200000737386_100000211591 [0,2,0,0,0,0|2,0,0]=4 1732 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 270004a_200000737386_100000210122 [0,2,0,0,0,0|2,0,0]=4 1733 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011214892 [0,2,0,0,0,0|2,0,0]=4 1734 B21R2.12898 CC(C)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011214892 [0,2,0,0,0,0|2,0,0]=4 1735 B21R2.12898 CC(C)CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210312 [0,2,0,0,0,0|2,0,0]=4 1736 B21R2.12898 CC(C)CCNCC(c1ccccc1)c2ccccc2 269862a_100000739227_100000185833 [0,2,0,0,0,0|2,0,0]=4 1737 B21R2.12898 CC(C)CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210312 [0,2,0,0,0,0|2,0,0]=4 1738 B21R2.12898 CC(C)CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210312 [0,2,0,0,0,0|1,0,0]=3 1739 B21R2.12898 CC(C)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210626 [0,2,0,0,0,0|1,0,0]=3 1740 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 2230a_100000210953_100009813428 [0,2,0,0,0,0|2,0,0]=4 1741 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210760 [0,2,0,0,0,0|2,0,0]=4 1742 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 270004a_100000272388_100000210432 [0,2,0,0,0,0|2,0,0]=4 1743 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 34a_100000210953_100009813428 [0,2,0,0,0,0|2,0,0]=4 1744 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210624 [0,2,0,0,0,0|2,0,0]=4 1745 B21R2.12898 CC(C)COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210624 [0,2,0,0,0,0|2,0,0]=4 1746 B21R2.12898 CC(C)COCCC(c1ccccc1)c2ccccc2 34a_100000210257_100009813428 [0,2,0,0,0,0|2,0,0]=4 1747 B21R2.12898 CC(C)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210760 [0,2,0,0,0,0|2,0,0]=4 1748 B21R2.12898 CC(C)NCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210206 [0,2,0,0,0,0|2,0,0]=4 1749 B21R2.12898 CC(C)NCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000210206 [0,2,0,0,0,0|2,0,0]=4 1750 B21R2.12898 CC(C)NCCOC(c1ccccc1)c2ccccc2 2230a_100138425928_100000734929 [0,2,0,0,0,0|0,0,0]=2 1751 B21R2.12898 CC(C)NCCOC(c1ccccc1)c2ccccc2 34a_100138425928_100000734929 [0,2,0,0,0,0|0,0,0]=2 1752 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000211751 [0,2,0,0,0,0|2,0,0]=4 1753 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 2230a_100000701111_100000211591 [0,2,0,0,0,0|2,0,0]=4 1754 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 270004a_100000701111_100000210122 [0,2,0,0,0,0|2,0,0]=4 1755 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000211751 [0,2,0,0,0,0|2,0,0]=4 1756 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000211751 [0,2,0,0,0,0|1,0,0]=3 1757 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 34a_100000212225_100000734929 [0,2,0,0,0,0|1,0,0]=3 1758 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000211751 [0,2,0,0,0,0|1,0,0]=3 1759 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 7a_100000211219_100011216954 [0,2,0,0,0,0|1,0,0]=3 1760 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000211751 [0,2,0,0,0,0|2,0,0]=4 1761 B21R2.12898 CC(C)OCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000211751 [0,2,0,0,0,0|1,1,0]=4 1762 B21R2.12898 CC(C)OCCSC(c1ccccc1)c2ccccc2 62a_100000211751_100011216954 [0,2,0,0,0,0|1,1,0]=4 1763 B21R2.12898 CC(C)OCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000709892 [0,2,0,0,0,0|2,0,0]=4 1764 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730970 [0,2,0,0,0,0|2,0,0]=4 1765 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 2230a_100000731138_100000211591 [0,2,0,0,0,0|2,0,0]=4 1766 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 270004a_100000731138_100000210122 [0,2,0,0,0,0|2,0,0]=4 1767 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000730970 [0,2,0,0,0,0|2,0,0]=4 1768 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000730970 [0,2,0,0,0,0|1,0,0]=3 1769 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 62a_100000210206_100000734929 [0,2,0,0,0,0|1,0,0]=3 1770 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000210206 [0,2,0,0,0,0|1,0,0]=3 1771 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000730970 [0,2,0,0,0,0|1,0,0]=3 1772 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 7a_200011212901_100011216954 [0,2,0,0,0,0|1,0,0]=3 1773 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000730970 [0,2,0,0,0,0|2,0,0]=4 1774 B21R2.12898 CC(F)COCCC(c1ccccc1)c2ccccc2 34a_100015925927_100009813428 [0,2,0,0,0,0|2,0,0]=4 1775 B21R2.12898 CC(O)CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200000718107 [0,2,0,0,0,0|2,0,0]=4 1776 B21R2.12898 CC(O)CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_200000718107 [0,2,0,0,0,0|2,0,0]=4 1777 B21R2.12898 CC(O)CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_200000718107 [0,2,0,0,0,0|1,0,0]=3 1778 B21R2.12898 CC(O)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_200000718107 [0,2,0,0,0,0|1,0,0]=3 1779 B21R2.12898 CC(O)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_200000718107 [0,2,0,0,0,0|2,0,0]=4 1780 B21R2.12898 CC(O)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_200000718107 [0,2,0,0,0,0|1,1,0]=4 1781 B21R2.12898 CC(O)CCCSC(c1ccccc1)c2ccccc2 62a_200000718107_100011216954 [0,2,0,0,0,0|1,1,0]=4 1782 B21R2.12898 CC(O)CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100012276601 [0,2,0,0,0,0|2,0,0]=4 1783 B21R2.12898 CC(O)CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100012276601 [0,2,0,0,0,0|2,0,0]=4 1784 B21R2.12898 CC(O)CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100012276601 [0,2,0,0,0,0|1,0,0]=3 1785 B21R2.12898 CC(O)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100012276601 [0,2,0,0,0,0|1,0,0]=3 1786 B21R2.12898 CC(O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000210904_100009813428 [0,2,0,0,0,0|2,0,0]=4 1787 B21R2.12898 CC(O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011218427 [0,2,0,0,0,0|2,0,0]=4 1788 B21R2.12898 CC(O)CNCCC(c1ccccc1)c2ccccc2 34a_100000210904_100009813428 [0,2,0,0,0,0|2,0,0]=4 1789 B21R2.12898 CC(O)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011218427 [0,2,0,0,0,0|2,0,0]=4 1790 B21R2.12898 CC(O)COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011218427 [0,2,0,0,0,0|2,0,0]=4 1791 B21R2.12898 CC(O)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011218427 [0,2,0,0,0,0|2,0,0]=4 1792 B21R2.12898 CC(O)CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011218427 [0,2,0,0,0,0|2,0,0]=4 1793 B21R2.12898 CC(O)CSCCC(c1ccccc1)c2ccccc2 62a_100011218427_100009813428 [0,2,0,0,0,0|2,0,0]=4 1794 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2ccccc2 270004a_102531767803_100000210122 [0,2,0,0,0,0|1,0,0]=3 1795 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2ccccn2 270004a_102531767803_100000210380 [0,2,0,0,0,0|2,0,0]=4 1796 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2cccnc2 270004a_102531767803_100000735413 [0,2,0,0,0,0|2,0,0]=4 1797 B21R2.12898 CN(C)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000757444 [0,2,0,0,0,0|0,0,0]=2 1798 B21R2.12898 CN(C)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000757444 [0,2,0,0,0,0|1,0,0]=3 1799 B21R2.12898 CN(C)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000757444 [0,2,0,0,0,0|0,1,0]=3 1800 B21R2.12898 CN(C)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000755713 [0,2,0,0,0,0|0,0,0]=2 1801 B21R2.12898 CS(=O)CCCNC(c1ccccc1)c2ccccc2 2230a_200000753449_100000211591 [0,2,0,0,0,0|2,0,0]=4 1802 B21R2.12898 CS(=O)CCCNC(c1ccccc1)c2ccccc2 270004a_200000753449_100000210122 [0,2,0,0,0,0|2,0,0]=4 1803 B21R2.12898 C[C@@H](Cl)COCCC(c1ccccc1)c2ccccc2 34a_100016084084_100009813428 [0,2,0,0,0,0|2,0,0]=4 1804 B21R2.12898 C[C@@H](N)COCCC(c1ccccc1)c2ccccc2 34a_100000737577_100009813428 [0,2,0,0,0,0|2,0,0]=4 1805 B21R2.12898 C[C@@H](O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100009817552 [0,2,0,0,0,0|2,0,0]=4 1806 B21R2.12898 C[C@@H](O)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100009817552 [0,2,0,0,0,0|2,0,0]=4 1807 B21R2.12898 C[C@@H](O)COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100009817552 [0,2,0,0,0,0|2,0,0]=4 1808 B21R2.12898 C[C@@H](O)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100009817552 [0,2,0,0,0,0|2,0,0]=4 1809 B21R2.12898 C[C@@H](O)CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100009817552 [0,2,0,0,0,0|2,0,0]=4 1810 B21R2.12898 C[C@@H](O)CSCCC(c1ccccc1)c2ccccc2 62a_100009817552_100009813428 [0,2,0,0,0,0|2,0,0]=4 1811 B21R2.12898 FC(=CCCOC(c1ccccc1)c2ccccc2)F 34a_100000211180_200009816681 [0,2,0,0,0,0|1,0,1]=4 1812 B21R2.12898 FC(=CCCOC(c1ccccc1)c2ccccc2)F 7a_100000211180_200009816681 [0,2,0,0,0,0|1,0,1]=4 1813 B21R2.12898 NC(=O)CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100102525003 [0,2,0,0,0,0|1,0,1]=4 1814 B21R2.12898 NC(=O)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100102525003 [0,2,0,0,0,0|1,0,1]=4 1815 B21R2.12898 NC(=O)CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000731001 [0,2,0,0,0,0|2,0,0]=4 1816 B21R2.12898 NC(=O)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000744528 [0,2,0,0,0,0|2,0,0]=4 1817 B21R2.12898 NC(=O)NCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200000034859 [0,2,0,0,0,0|1,0,1]=4 1818 B21R2.12898 NC(=O)NCCOC(c1ccccc1)c2ccccc2 7a_100000211180_200000034859 [0,2,0,0,0,0|0,0,1]=3 1819 B21R2.12898 NC(=O)NCCOC(c1ccccc1)c2ccccn2 7a_100000180852_200000034859 [0,2,0,0,0,0|1,0,1]=4 1820 B21R2.12898 NC(=O)NCCSC(c1ccccc1)c2ccccc2 62a_100000211591_200000034859 [0,2,0,0,0,0|0,1,1]=4 1821 B21R2.12898 NC(=O)NCCSC(c1ccccc1)c2ccccc2 62a_200000034859_100011216954 [0,2,0,0,0,0|0,1,1]=4 1822 B21R2.12898 NC(=O)OCCOC(c1ccccc1)c2ccccc2 34a_100000211180_200011214921 [0,2,0,0,0,0|1,0,1]=4 1823 B21R2.12898 NC(=O)OCCOC(c1ccccc1)c2ccccc2 7a_100000211180_200011214921 [0,2,0,0,0,0|1,0,1]=4 1824 B21R2.12898 NC(=O)OCCOC(c1ccccc1)c2ccccc2 7a_100000766696_100011216954 [0,2,0,0,0,0|1,0,1]=4 1825 B21R2.21291 C#CC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000211873_100000734929 [0,2,0,0,0,0|1,0,1]=4 1826 B21R2.21291 C=CC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000185746_100000734929 [0,2,0,0,0,0|1,0,1]=4 1827 B21R2.21291 C=CC(O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000730141 [0,2,0,0,0,0|1,0,1]=4 1828 B21R2.21291 C=CC(O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000730141 [0,2,0,0,0,0|1,0,1]=4 1829 B21R2.21291 CC(CO)CCNC(c1ccccc1)c2ccccc2 2230a_106354213184_100000211591 [0,2,0,0,0,0|2,0,0]=4 1830 B21R2.21291 CC(CO)CCNC(c1ccccc1)c2ccccc2 270004a_106354213184_100000210122 [0,2,0,0,0,0|2,0,0]=4 1831 B21R2.21291 CCC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000210414_100000734929 [0,2,0,0,0,0|1,0,0]=3 1832 B21R2.21291 CCC(=O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000747405 [0,2,0,0,0,0|1,0,1]=4 1833 B21R2.21291 CCC(C)CCNC(c1ccccc1)c2ccccc2 2230a_100020591266_100000211591 [0,2,0,0,0,0|2,0,0]=4 1834 B21R2.21291 CCC(C)CCNC(c1ccccc1)c2ccccc2 270004a_100020591266_100000210122 [0,2,0,0,0,0|2,0,0]=4 1835 B21R2.21291 CCC(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000748023 [0,2,0,0,0,0|2,0,0]=4 1836 B21R2.21291 CCC(C)CNCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000243153 [0,2,0,0,0,0|2,0,0]=4 1837 B21R2.21291 CCC(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000748023 [0,2,0,0,0,0|2,0,0]=4 1838 B21R2.21291 CCC(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000748023 [0,2,0,0,0,0|1,0,0]=3 1839 B21R2.21291 CCC(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000748023 [0,2,0,0,0,0|1,0,0]=3 1840 B21R2.21291 CCC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000209981_100009813428 [0,2,0,0,0,0|2,0,0]=4 1841 B21R2.21291 CCC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000758301 [0,2,0,0,0,0|2,0,0]=4 1842 B21R2.21291 CCC(C)NCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011215416 [0,2,0,0,0,0|2,0,0]=4 1843 B21R2.21291 CCC(O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011218378 [0,2,0,0,0,0|2,0,0]=4 1844 B21R2.21291 CCC(O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011218378 [0,2,0,0,0,0|2,0,0]=4 1845 B21R2.21291 CCC(O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100011218378 [0,2,0,0,0,0|1,0,0]=3 1846 B21R2.21291 CCC(O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100011218378 [0,2,0,0,0,0|1,0,0]=3 1847 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 2230a_100000225621_100000734929 [0,2,0,0,0,0|0,0,0]=2 1848 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_100000210202 [0,2,0,0,0,0|0,0,0]=2 1849 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 269982a_100000225621_100000734929 [0,2,0,0,0,0|0,0,0]=2 1850 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_100000204670 [0,2,0,0,0,0|0,0,0]=2 1851 B21R2.21291 CC[C@H](C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100009816398 [0,2,0,0,0,0|2,0,0]=4 1852 B21R2.21291 CC[C@H](C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100009816398 [0,2,0,0,0,0|2,0,0]=4 1853 B21R2.21291 CC[C@H](C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100009816398 [0,2,0,0,0,0|1,0,0]=3 1854 B21R2.21291 CC[C@H](C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100009816398 [0,2,0,0,0,0|1,0,0]=3 1855 B21R2.21291 CN(CF)CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_100015361967 [0,2,0,0,0,0|0,0,0]=2 1856 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000737683 [0,2,0,0,0,0|1,0,0]=3 1857 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000738227_100000211591 [0,2,0,0,0,0|1,0,0]=3 1858 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccc2 270004a_100000738227_100000210122 [0,2,0,0,0,0|1,0,0]=3 1859 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100012179268 [0,2,0,0,0,0|1,0,0]=3 1860 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000737683 [0,2,0,0,0,0|2,0,0]=4 1861 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccn2 270004a_100000738227_100000210380 [0,2,0,0,0,0|2,0,0]=4 1862 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000737683 [0,2,0,0,0,0|2,0,0]=4 1863 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2cccnc2 270004a_100000738227_100000735413 [0,2,0,0,0,0|2,0,0]=4 1864 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000737683 [0,2,0,0,0,0|2,0,0]=4 1865 B21R2.21291 CNC(=O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100012179268 [0,2,0,0,0,0|0,0,0]=2 1866 B21R2.21291 CNC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000737683 [0,2,0,0,0,0|0,0,0]=2 1867 B21R2.21291 CNC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000737683 [0,2,0,0,0,0|1,0,0]=3 1868 B21R2.21291 CNC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000737683 [0,2,0,0,0,0|0,1,0]=3 1869 B21R2.21291 CNC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000737683_100011216954 [0,2,0,0,0,0|0,1,0]=3 1870 B21R2.21291 CNC(=O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000183359 [0,2,0,0,0,0|1,0,1]=4 1871 B21R2.21291 CNC(=O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000183359 [0,2,0,0,0,0|1,0,1]=4 1872 B21R2.21291 CNC(=O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000183359 [0,2,0,0,0,0|0,0,1]=3 1873 B21R2.21291 CNC(=O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000183359 [0,2,0,0,0,0|0,0,1]=3 1874 B21R2.21291 CNC(=O)NCCC(c1ccccc1)c2ccccc2 2708a_100000272388_106832991635 [0,2,0,0,0,0|1,0,1]=4 1875 B21R2.21291 CNC(=O)NCCC(c1ccccc1)c2ccccc2 2708a_100102657272_100000272388 [0,2,0,0,0,0|1,0,1]=4 1876 B21R2.21291 CNC(=O)NCCC(c1ccccc1)c2ccccc2 273464a_100000272388_100102657272 [0,2,0,0,0,0|1,0,1]=4 1877 B21R2.21291 CNC(=O)NCCC(c1ccccc1)c2ccccc2 273464a_100102657272_100000272388 [0,2,0,0,0,0|1,0,1]=4 1878 B21R2.21291 CNC(=O)NCCC(c1ccccc1)c2ccccc2 512a_106832991638_100000272388 [0,2,0,0,0,0|1,0,1]=4 1879 B21R2.21291 COC(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000204255 [0,2,0,0,0,0|2,0,0]=4 1880 B21R2.21291 COC(=O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000742370 [0,2,0,0,0,0|2,0,0]=4 1881 B21R2.21291 COC(=O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000742370 [0,2,0,0,0,0|1,0,0]=3 1882 B21R2.21291 COC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000204255 [0,2,0,0,0,0|1,0,0]=3 1883 B21R2.21291 COC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000204255 [0,2,0,0,0,0|2,0,0]=4 1884 B21R2.21291 COC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000204255_100011216954 [0,2,0,0,0,0|1,1,0]=4 1885 B21R2.21291 COC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000204255 [0,2,0,0,0,0|1,1,0]=4 1886 B21R2.21291 COC(=O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000747449 [0,2,0,0,0,0|1,0,1]=4 1887 B21R2.21291 COC(=O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000747449 [0,2,0,0,0,0|1,0,1]=4 1888 B21R2.21291 COC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000764861_100011216954 [0,2,0,0,0,0|1,0,0]=3 1889 B21R2.21291 COC(C)SCCC(c1ccccc1)c2ccccc2 62a_100009813428_100009879195 [0,2,0,0,0,0|2,0,0]=4 1890 B21R2.21291 COC(C)SCCC(c1ccccc1)c2ccccc2 62a_100009879195_100009813428 [0,2,0,0,0,0|2,0,0]=4 1891 B21R2.21291 C[C@@H](CO)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000059175 [0,2,0,0,0,0|2,0,0]=4 1892 B21R2.21291 C[C@@H](CO)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000059175 [0,2,0,0,0,0|2,0,0]=4 1893 B21R2.21291 O=C(CO)CCOC(c1ccccc1)c2ccccc2 1458a_100000210174_100000734929 [0,2,0,0,0,0|1,0,0]=3 1894 B21R2.21291 OCC(O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100011219619 [0,2,0,0,0,0|2,0,0]=4 1895 B21R2.21291 OCC(O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100011219619 [0,2,0,0,0,0|2,0,0]=4 1896 B21R2.21291 OC[C@H](O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100009815848 [0,2,0,0,0,0|2,0,0]=4 1897 B21R2.21291 OC[C@H](O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100009815848 [0,2,0,0,0,0|2,0,0]=4 1898 B21R2.21291 O[C@@H](CF)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100015614560 [0,2,0,0,0,0|2,0,0]=4 1899 B21R2.21291 O[C@@H](CF)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100015614560 [0,2,0,0,0,0|2,0,0]=4 1900 B21R2.25778 CCC#CC(C)OC(c1ccccc1)c2ccccc2 7a_100000033903_100011216954 [0,2,0,0,0,0|1,0,1]=4 1901 B21R2.25778 CCCCC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210211 [0,2,0,0,0,0|2,0,0]=4 1902 B21R2.25778 CCCCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000210183 [0,2,0,0,0,0|2,0,0]=4 1903 B21R2.25778 CCCCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000210183 [0,2,0,0,0,0|2,0,0]=4 1904 B21R2.25778 CCCCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000210183 [0,2,0,0,0,0|2,0,0]=4 1905 B21R2.25778 CCCCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000210183 [0,2,0,0,0,0|2,0,0]=4 1906 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000126638_100000211591 [0,2,0,0,0,0|2,0,0]=4 1907 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_200011215066 [0,2,0,0,0,0|2,0,0]=4 1908 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000126638_100000210122 [0,2,0,0,0,0|2,0,0]=4 1909 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000210087 [0,2,0,0,0,0|2,0,0]=4 1910 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_200011215066 [0,2,0,0,0,0|2,0,0]=4 1911 B21R2.25778 CCCCC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_200011215066 [0,2,0,0,0,0|2,0,0]=4 1912 B21R2.25778 CCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100020643023_200000011111 [0,2,0,0,0,0|2,0,0]=4 1913 B21R2.25778 CCNCC(=O)NC(c1ccccc1)c2ccccc2 2230a_100000589768_100000210202 [0,2,0,0,0,0|1,0,1]=4 1914 B21R2.25778 CCOCC(C)OC(c1ccccc1)c2ccccc2 7a_100000718985_100011216954 [0,2,0,0,0,0|1,0,0]=3 1915 B21R2.25778 CCSCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_200011216171 [0,2,0,0,0,0|2,0,0]=4 1916 B21R2.25778 CNCCC(=O)NC(c1ccccc1)c2ccccc2 2230a_106832991635_100000402422 [0,2,0,0,0,0|1,0,0]=3 1917 B21R2.25778 CNCCC(=O)NC(c1ccccc1)c2ccccc2 7a_106832991635_100000402422 [0,2,0,0,0,0|1,0,0]=3 1918 B21R2.25778 COCCC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000233755 [0,2,0,0,0,0|2,0,0]=4 1919 B21R2.25778 COCCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000749529 [0,2,0,0,0,0|2,0,0]=4 1920 B21R2.25778 COCCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000749529 [0,2,0,0,0,0|2,0,0]=4 1921 B21R2.25778 COCCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000749529 [0,2,0,0,0,0|2,0,0]=4 1922 B21R2.25778 COCCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000749529 [0,2,0,0,0,0|2,0,0]=4 1923 B21R2.25778 COCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000742357 [0,2,0,0,0,0|2,0,0]=4 1924 B21R2.25778 CSCCC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000751147 [0,2,0,0,0,0|2,0,0]=4 1925 B21R2.25778 CSCCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000174002 [0,2,0,0,0,0|2,0,0]=4 1926 B21R2.25778 CSCCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000174002 [0,2,0,0,0,0|2,0,0]=4 1927 B21R2.25778 CSCCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000174002 [0,2,0,0,0,0|2,0,0]=4 1928 B21R2.25778 CSCCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000174002 [0,2,0,0,0,0|2,0,0]=4 1929 B21R2.25778 CSCCC(=O)NC(c1ccccc1)c2ccccc2 62a_100000402422_200000210301 [0,2,0,0,0,0|2,0,0]=4 1930 B21R2.25778 CSCCC(=O)NC(c1ccccc1)c2ccccc2 62a_200000210301_100000402422 [0,2,0,0,0,0|2,0,0]=4 1931 B21R2.25778 CSCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100011217047 [0,2,0,0,0,0|2,0,0]=4 1932 B21R2.25778 [13CH3]SCCC(=O)NC(c1ccccc1)c2ccccc2 62a_100000402422_200025704644 [0,2,0,0,0,0|2,0,0]=4 1933 B21R2.25778 [13CH3]SCCC(=O)NC(c1ccccc1)c2ccccc2 62a_200025704644_100000402422 [0,2,0,0,0,0|2,0,0]=4 1934 B21R2.92043 C#CCCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000695029 [0,2,0,0,0,0|1,0,1]=4 1935 B21R2.92043 C#CCCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100011215417 [0,2,0,0,0,0|1,0,1]=4 1936 B21R2.92043 C#CCCCOC(c1ccccc1)c2ccccc2C 7a_100000215630_100000230135 [0,2,0,0,0,0|1,0,1]=4 1937 B21R2.92043 C#CCCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000695029 [0,2,0,0,0,0|1,0,1]=4 1938 B21R2.92043 C#CCCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011215417 [0,2,0,0,0,0|1,0,1]=4 1939 B21R2.92043 C#CCCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000695029 [0,2,0,0,0,0|1,0,1]=4 1940 B21R2.92043 C#CCCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100011215417 [0,2,0,0,0,0|1,0,1]=4 1941 B21R2.92043 C=CCCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000757094 [0,2,0,0,0,0|1,0,1]=4 1942 B21R2.92043 C=CCCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000757094 [0,2,0,0,0,0|1,0,1]=4 1943 B21R2.92043 C=COCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000039644 [0,2,0,0,0,0|1,0,1]=4 1944 B21R2.92043 C=COCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000039644 [0,2,0,0,0,0|1,0,1]=4 1945 B21R2.92043 C=COCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000039644 [0,2,0,0,0,0|1,0,1]=4 1946 B21R2.92043 C=COCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000039644 [0,2,0,0,0,0|1,0,1]=4 1947 B21R2.92043 C=COCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000039644 [0,2,0,0,0,0|1,0,1]=4 1948 B21R2.92043 C=COCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000039644 [0,2,0,0,0,0|1,0,1]=4 1949 B21R2.92043 CC/C=C\COC(c1ccccc1)c2ccccc2N 34a_100000246470_100103147603 [0,2,0,0,0,0|1,0,1]=4 1950 B21R2.92043 CC/C=C\COC(c1ccccc1)c2ccccc2N 7a_100000246470_100103147603 [0,2,0,0,0,0|1,0,1]=4 1951 B21R2.92043 CCC#CCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100009813939 [0,2,0,0,0,0|1,0,1]=4 1952 B21R2.92043 CCC#CCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100009813939 [0,2,0,0,0,0|1,0,1]=4 1953 B21R2.92043 CCC#CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100009813939 [0,2,0,0,0,0|1,0,1]=4 1954 B21R2.92043 CCC#CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100009813939 [0,2,0,0,0,0|1,0,1]=4 1955 B21R2.92043 CCC#CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100009813939 [0,2,0,0,0,0|1,0,1]=4 1956 B21R2.92043 CCC#CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100009813939 [0,2,0,0,0,0|1,0,1]=4 1957 B21R2.92043 CCCCCNC(c1ccccc1)c2ccccc2C 2230a_100000209983_100000230135 [0,2,0,0,0,0|2,0,0]=4 1958 B21R2.92043 CCCCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000210326 [0,2,0,0,0,0|2,0,0]=4 1959 B21R2.92043 CCCCCNC(c1ccccc1)c2ccccc2C 270004a_100000209983_100000735561 [0,2,0,0,0,0|2,0,0]=4 1960 B21R2.92043 CCCCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000718602 [0,2,0,0,0,0|2,0,0]=4 1961 B21R2.92043 CCCCCNC(c1ccccc1)c2ccccc2F 270004a_100000209983_100011217773 [0,2,0,0,0,0|2,0,0]=4 1962 B21R2.92043 CCCCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000718602 [0,2,0,0,0,0|1,0,0]=3 1963 B21R2.92043 CCCCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000210326 [0,2,0,0,0,0|1,0,0]=3 1964 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100011215890 [0,2,0,0,0,0|2,0,0]=4 1965 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2Br 270004a_102516460346_100000198044 [0,2,0,0,0,0|2,0,0]=4 1966 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000210147 [0,2,0,0,0,0|2,0,0]=4 1967 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100011215890 [0,2,0,0,0,0|2,0,0]=4 1968 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2C 2230a_102516460346_100000230135 [0,2,0,0,0,0|2,0,0]=4 1969 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2C 270004a_102516460346_100000735561 [0,2,0,0,0,0|2,0,0]=4 1970 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000210147 [0,2,0,0,0,0|2,0,0]=4 1971 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2Cl 270004a_102516460346_100011215288 [0,2,0,0,0,0|2,0,0]=4 1972 B21R2.92043 CCOCCNC(c1ccccc1)c2ccccc2F 270004a_102516460346_100011217773 [0,2,0,0,0,0|2,0,0]=4 1973 B21R2.92043 CCOCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000210147 [0,2,0,0,0,0|1,0,0]=3 1974 B21R2.92043 CCOCCOC(c1ccccc1)c2ccccc2C 7a_100000210136_100000230135 [0,2,0,0,0,0|1,0,0]=3 1975 B21R2.92043 CCOCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100011215890 [0,2,0,0,0,0|1,0,0]=3 1976 B21R2.92043 CCOCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000210147 [0,2,0,0,0,0|1,0,0]=3 1977 B21R2.92043 CCOCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011215890 [0,2,0,0,0,0|1,0,0]=3 1978 B21R2.92043 CCOCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000210147 [0,2,0,0,0,0|1,0,0]=3 1979 B21R2.92043 CCOCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100011215890 [0,2,0,0,0,0|1,0,0]=3 1980 B21R2.92043 CCOCCSC(c1ccccc1)c2ccccc2C 62a_100000210147_100000230135 [0,2,0,0,0,0|1,1,0]=4 1981 B21R2.92043 CCOCCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100011215890 [0,2,0,0,0,0|1,1,0]=4 1982 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000757381 [0,2,0,0,0,0|2,0,0]=4 1983 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2Br 270004a_100000106463_100000198044 [0,2,0,0,0,0|2,0,0]=4 1984 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000757381 [0,2,0,0,0,0|2,0,0]=4 1985 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2C 2230a_100000106463_100000230135 [0,2,0,0,0,0|2,0,0]=4 1986 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000757381 [0,2,0,0,0,0|2,0,0]=4 1987 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2C 270004a_100000106463_100000735561 [0,2,0,0,0,0|2,0,0]=4 1988 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000757381 [0,2,0,0,0,0|2,0,0]=4 1989 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000106463_100011215288 [0,2,0,0,0,0|2,0,0]=4 1990 B21R2.92043 CCSCCNC(c1ccccc1)c2ccccc2F 270004a_100000106463_100011217773 [0,2,0,0,0,0|2,0,0]=4 1991 B21R2.92043 CCSCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000757381 [0,2,0,0,0,0|1,0,0]=3 1992 B21R2.92043 CCSCCOC(c1ccccc1)c2ccccc2C 7a_100000212035_100000230135 [0,2,0,0,0,0|1,0,0]=3 1993 B21R2.92043 CCSCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000757381 [0,2,0,0,0,0|1,0,0]=3 1994 B21R2.92043 CCSCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000757381 [0,2,0,0,0,0|1,0,0]=3 1995 B21R2.92043 CCSCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000757381 [0,2,0,0,0,0|1,0,0]=3 1996 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000740836 [0,2,0,0,0,0|2,0,0]=4 1997 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2Br 270004a_100150723488_100000198044 [0,2,0,0,0,0|2,0,0]=4 1998 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000740836 [0,2,0,0,0,0|2,0,0]=4 1999 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000740836 [0,2,0,0,0,0|2,0,0]=4 2000 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2C 270004a_100150723488_100000735561 [0,2,0,0,0,0|2,0,0]=4 2001 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000740836 [0,2,0,0,0,0|2,0,0]=4 2002 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2Cl 270004a_100150723488_100011215288 [0,2,0,0,0,0|2,0,0]=4 2003 B21R2.92043 COCCCNC(c1ccccc1)c2ccccc2F 270004a_100150723488_100011217773 [0,2,0,0,0,0|2,0,0]=4 2004 B21R2.92043 COCCCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100000740836 [0,2,0,0,0,0|1,0,0]=3 2005 B21R2.92043 COCCCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000740836 [0,2,0,0,0,0|1,0,0]=3 2006 B21R2.92043 COCCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000740836 [0,2,0,0,0,0|1,0,0]=3 2007 B21R2.92043 COCCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000740836 [0,2,0,0,0,0|1,0,0]=3 2008 B21R2.92043 COCCCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000740836 [0,2,0,0,0,0|1,0,0]=3 2009 B21R2.92043 COCCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000740836 [0,2,0,0,0,0|1,0,0]=3 2010 B21R2.92043 COCCCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000709357 [0,2,0,0,0,0|1,1,0]=4 2011 B21R2.92043 COCCCSC(c1ccccc1)c2ccccc2C 62a_100000709357_100000230135 [0,2,0,0,0,0|1,1,0]=4 2012 B21R2.92043 CSCCCNC(c1ccccc1)c2ccccc2Br 270004a_100000749238_100000198044 [0,2,0,0,0,0|2,0,0]=4 2013 B21R2.92043 CSCCCNC(c1ccccc1)c2ccccc2C 2230a_100000749238_100000230135 [0,2,0,0,0,0|2,0,0]=4 2014 B21R2.92043 CSCCCNC(c1ccccc1)c2ccccc2C 270004a_100000749238_100000735561 [0,2,0,0,0,0|2,0,0]=4 2015 B21R2.92043 CSCCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000749238_100011215288 [0,2,0,0,0,0|2,0,0]=4 2016 B21R2.92043 CSCCCNC(c1ccccc1)c2ccccc2F 270004a_100000749238_100011217773 [0,2,0,0,0,0|2,0,0]=4 2017 B21R2.92043 CSCCCOC(c1ccccc1)c2ccccc2C 7a_100000690336_100000230135 [0,2,0,0,0,0|1,0,0]=3 2018 B21R2.92043 Cc1ccccc1C(NCCCCF)c2ccccc2 2230a_100000222801_100000729493 [0,2,0,0,0,0|2,0,0]=4 2019 B21R2.92043 Cc1ccccc1C(NCCCCF)c2ccccc2 34a_100000222801_100000729493 [0,2,0,0,0,0|2,0,0]=4 2020 B21R2.92043 Cc1ccccc1C(NCCCCO)c2ccccc2 2230a_100000222801_100000210776 [0,2,0,0,0,0|2,0,0]=4 2021 B21R2.92043 Cc1ccccc1C(NCCCCO)c2ccccc2 2230a_100000750430_100000230135 [0,2,0,0,0,0|2,0,0]=4 2022 B21R2.92043 Cc1ccccc1C(NCCCCO)c2ccccc2 270004a_100000750430_100000735561 [0,2,0,0,0,0|2,0,0]=4 2023 B21R2.92043 Cc1ccccc1C(NCCCCO)c2ccccc2 34a_100000222801_100011216708 [0,2,0,0,0,0|2,0,0]=4 2024 B21R2.92043 Cc1ccccc1C(OCC#CCO)c2ccccc2 34a_100000212071_200000047223 [0,2,0,0,0,0|1,0,1]=4 2025 B21R2.92043 Cc1ccccc1C(OCC#CCO)c2ccccc2 7a_100000212071_200000047223 [0,2,0,0,0,0|1,0,1]=4 2026 B21R2.92043 Cc1ccccc1C(OCCCC#N)c2ccccc2 7a_100000212071_100000687738 [0,2,0,0,0,0|1,0,1]=4 2027 B21R2.92043 Cc1ccccc1C(OCCCC=O)c2ccccc2 7a_100000212071_200011292268 [0,2,0,0,0,0|1,0,1]=4 2028 B21R2.92043 Cc1ccccc1C(OCCCCF)c2ccccc2 34a_100000212071_100000729493 [0,2,0,0,0,0|1,0,0]=3 2029 B21R2.92043 Cc1ccccc1C(OCCCCF)c2ccccc2 7a_100000212071_100000729493 [0,2,0,0,0,0|1,0,0]=3 2030 B21R2.92043 Cc1ccccc1C(OCCCCF)c2ccccc2 7a_100011995726_100000230135 [0,2,0,0,0,0|1,0,0]=3 2031 B21R2.92043 Cc1ccccc1C(OCCCCO)c2ccccc2 34a_100000212071_100011216708 [0,2,0,0,0,0|1,0,0]=3 2032 B21R2.92043 Cc1ccccc1C(OCCCCO)c2ccccc2 7a_100000212071_100000210776 [0,2,0,0,0,0|1,0,0]=3 2033 B21R2.92043 Cc1ccccc1C(SCCCCO)c2ccccc2 62a_100000210776_100000230135 [0,2,0,0,0,0|1,1,0]=4 2034 B21R2.92043 Cc1ccccc1C(SCCCCO)c2ccccc2 62a_100000230135_100000210776 [0,2,0,0,0,0|1,1,0]=4 2035 B21R2.92043 FCCCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000729493 [0,2,0,0,0,0|2,0,0]=4 2036 B21R2.92043 FCCCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000729493 [0,2,0,0,0,0|2,0,0]=4 2037 B21R2.92043 N#CCCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000687738 [0,2,0,0,0,0|1,0,1]=4 2038 B21R2.92043 N#CCCCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000687738 [0,2,0,0,0,0|1,0,1]=4 2039 B21R2.92043 Nc1ccccc1C(OCC#CCO)c2ccccc2 34a_100000246470_200000047223 [0,2,0,0,0,0|1,0,1]=4 2040 B21R2.92043 Nc1ccccc1C(OCC#CCO)c2ccccc2 7a_100000246470_200000047223 [0,2,0,0,0,0|1,0,1]=4 2041 B21R2.92043 Nc1ccccc1C(OCCCC=O)c2ccccc2 7a_100000246470_200011292268 [0,2,0,0,0,0|1,0,1]=4 2042 B21R2.92043 Nc1ccccc1C(OCCCCF)c2ccccc2 34a_100000246470_100000729493 [0,2,0,0,0,0|1,0,0]=3 2043 B21R2.92043 Nc1ccccc1C(OCCCCF)c2ccccc2 7a_100000246470_100000729493 [0,2,0,0,0,0|1,0,0]=3 2044 B21R2.92043 Nc1ccccc1C(OCCCCO)c2ccccc2 34a_100000246470_100011216708 [0,2,0,0,0,0|1,0,0]=3 2045 B21R2.92043 Nc1ccccc1C(OCCCCO)c2ccccc2 7a_100000246470_100000210776 [0,2,0,0,0,0|1,0,0]=3 2046 B21R2.92043 O=CCCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_200011292268 [0,2,0,0,0,0|1,0,1]=4 2047 B21R2.92043 OCC#CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_200000047223 [0,2,0,0,0,0|1,0,1]=4 2048 B21R2.92043 OCC#CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_200000047223 [0,2,0,0,0,0|1,0,1]=4 2049 B21R2.92043 OCCCCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000210776 [0,2,0,0,0,0|2,0,0]=4 2050 B21R2.92043 OCCCCNC(c1ccccc1)c2ccccc2Br 270004a_100000750430_100000198044 [0,2,0,0,0,0|2,0,0]=4 2051 B21R2.92043 OCCCCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100011216708 [0,2,0,0,0,0|2,0,0]=4 2052 B21R2.92043 OCCCCNC(c1ccccc1)c2ccccc2Cl 270004a_100000750430_100011215288 [0,2,0,0,0,0|2,0,0]=4 2053 B21R2.92043 OCCCCNC(c1ccccc1)c2ccccc2F 270004a_100000750430_100011217773 [0,2,0,0,0,0|2,0,0]=4 2054 B21R2.92043 OCCCCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100011216708 [0,2,0,0,0,0|1,0,0]=3 2055 B21R2.92043 OCCCCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000210776 [0,2,0,0,0,0|1,0,0]=3 2056 B21R2.16928 CCC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000748023 [0,2,0,0,0,0|2,0,0]=4 2057 B21R2.16928 CCC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000708755_100011216954 [0,2,0,0,0,0|2,0,0]=4 2058 B21R2.16928 CCC(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100000753921_100000211591 [0,2,0,0,0,0|2,0,0]=4 2059 B21R2.16928 CCC(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000748023 [0,2,0,0,0,0|2,0,0]=4 2060 B21R2.16928 CCC(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100000753921_100000211591 [0,2,0,0,0,0|2,0,0]=4 2061 B21R2.16928 CCC(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000748023 [0,2,0,0,0,0|2,0,0]=4 2062 B21R2.16928 CCC(C)CN(C)C(c1ccccc1)c2ccccc2 270004a_100000753921_100000210122 [0,2,0,0,0,0|2,0,0]=4 2063 B21R2.16928 CCC(C)CN(C)C(c1ccccc1)c2ccccc2 270004a_100103148541_100000243153 [0,2,0,0,0,0|2,0,0]=4 2064 B21R2.16928 CCC(O)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011218378 [0,2,0,0,0,0|2,0,0]=4 2065 B21R2.16928 CCC(O)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100011667805_100011216954 [0,2,0,0,0,0|2,0,0]=4 2066 B21R2.16928 CCC(O)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100011218378 [0,2,0,0,0,0|2,0,0]=4 2067 B21R2.16928 CCC(O)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100011218378 [0,2,0,0,0,0|2,0,0]=4 2068 B21R2.16928 CC[C@H](C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100009816398 [0,2,0,0,0,0|2,0,0]=4 2069 B21R2.16928 CC[C@H](C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100009816398 [0,2,0,0,0,0|2,0,0]=4 2070 B21R2.16928 CC[C@H](C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100009816398 [0,2,0,0,0,0|2,0,0]=4 2071 B21R2.16928 CNC(=O)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000183359 [0,2,0,0,0,0|1,0,1]=4 2072 B21R2.16928 CNC(=O)CN(C)C(c1ccccc1)c2ccccc2 2230a_100000189611_100000211591 [0,2,0,0,0,0|1,0,1]=4 2073 B21R2.16928 CNC(=O)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000183359 [0,2,0,0,0,0|1,0,1]=4 2074 B21R2.16928 CNC(=O)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000183359 [0,2,0,0,0,0|1,0,1]=4 2075 B21R2.16928 CNC(=O)CN(C)C(c1ccccc1)c2ccccc2 270004a_100000189611_100000210122 [0,2,0,0,0,0|1,0,1]=4 2076 B21R2.16928 CNC(=O)CS(=O)C(c1ccccc1)c2ccccc2 11a_106832991635_100020617424 [0,2,0,0,0,0|0,1,1]=4 2077 B21R2.16928 CNC(=O)CS(=O)C(c1ccccc1)c2ccccc2 1626a_100102657272_100020617424 [0,2,0,0,0,0|0,1,1]=4 2078 B21R2.16928 CNC(=O)CS(=O)C(c1ccccc1)c2ccccc2 240690a_100102657272_100020617424 [0,2,0,0,0,0|0,1,1]=4 2079 B21R2.16928 CNC(=O)CS(=O)C(c1ccccc1)c2ccccc2 527a_100102657272_100020617424 [0,2,0,0,0,0|0,1,1]=4 2080 B21R2.25528 CCCCC(=O)C(C)(c1ccccc1)c2ccccc2 1458a_100000752439_100000210211 [0,2,0,0,0,0|2,0,0]=4 2081 B21R2.25528 COCCC(=O)C(C)(c1ccccc1)c2ccccc2 1458a_100000752439_100000233755 [0,2,0,0,0,0|2,0,0]=4 2082 B21R2.25528 CSCCC(=O)C(C)(c1ccccc1)c2ccccc2 1458a_100000752439_100000751147 [0,2,0,0,0,0|2,0,0]=4 2083 B21R2.39319 CCCCN(CC)C(c1ccccc1)c2ccccc2 2230a_100000207695_100000211591 [0,2,0,0,0,0|2,0,0]=4 2084 B21R2.39319 CCCCN(CC)C(c1ccccc1)c2ccccc2 269982a_100000207695_100000211591 [0,2,0,0,0,0|2,0,0]=4 2085 B21R2.39319 CCCCN(CC)C(c1ccccc1)c2ccccc2 270004a_100000207695_100000210122 [0,2,0,0,0,0|2,0,0]=4 2086 B21R2.39319 CCN(CCOC)C(c1ccccc1)c2ccccc2 2230a_100000731262_100000211591 [0,2,0,0,0,0|2,0,0]=4 2087 B21R2.39319 CCN(CCOC)C(c1ccccc1)c2ccccc2 269982a_100000731262_100000211591 [0,2,0,0,0,0|2,0,0]=4 2088 B21R2.39319 CCN(CCOC)C(c1ccccc1)c2ccccc2 270004a_100000731262_100000210122 [0,2,0,0,0,0|2,0,0]=4 2089 B21R2.114780 CCCCN(C)C(c1ccccc1)c2ccccc2C 2230a_100000207549_100000230135 [0,2,0,0,0,0|2,0,0]=4 2090 B21R2.114780 CCCCN(C)C(c1ccccc1)c2ccccc2C 269982a_100000207549_100000230135 [0,2,0,0,0,0|2,0,0]=4 2091 B21R2.114780 CCCCN(C)C(c1ccccc1)c2ccccc2C 270004a_100000207549_100000735561 [0,2,0,0,0,0|2,0,0]=4 2092 B21R2.114780 CCCCN(C)C(c1ccccc1)c2ccccc2F 270004a_100000207549_100011217773 [0,2,0,0,0,0|2,0,0]=4 2093 B21R2.114780 COCCN(C)C(c1ccccc1)c2ccccc2Br 270004a_100000743101_100000198044 [0,2,0,0,0,0|2,0,0]=4 2094 B21R2.114780 COCCN(C)C(c1ccccc1)c2ccccc2C 2230a_100000743101_100000230135 [0,2,0,0,0,0|2,0,0]=4 2095 B21R2.114780 COCCN(C)C(c1ccccc1)c2ccccc2C 269982a_100000743101_100000230135 [0,2,0,0,0,0|2,0,0]=4 2096 B21R2.114780 COCCN(C)C(c1ccccc1)c2ccccc2C 270004a_100000743101_100000735561 [0,2,0,0,0,0|2,0,0]=4 2097 B21R2.114780 COCCN(C)C(c1ccccc1)c2ccccc2Cl 270004a_100000743101_100011215288 [0,2,0,0,0,0|2,0,0]=4 2098 B21R2.114780 COCCN(C)C(c1ccccc1)c2ccccc2F 270004a_100000743101_100011217773 [0,2,0,0,0,0|2,0,0]=4 2099 B21R2.114780 CSCCN(C)C(c1ccccc1)c2ccccc2Br 270004a_100000686725_100000198044 [0,2,0,0,0,0|2,0,0]=4 2100 B21R2.114780 CSCCN(C)C(c1ccccc1)c2ccccc2C 2230a_100000686725_100000230135 [0,2,0,0,0,0|2,0,0]=4 2101 B21R2.114780 CSCCN(C)C(c1ccccc1)c2ccccc2C 269982a_100000686725_100000230135 [0,2,0,0,0,0|2,0,0]=4 2102 B21R2.114780 CSCCN(C)C(c1ccccc1)c2ccccc2C 270004a_100000686725_100000735561 [0,2,0,0,0,0|2,0,0]=4 2103 B21R2.114780 CSCCN(C)C(c1ccccc1)c2ccccc2Cl 270004a_100000686725_100011215288 [0,2,0,0,0,0|2,0,0]=4 2104 B21R2.114780 CSCCN(C)C(c1ccccc1)c2ccccc2F 270004a_100000686725_100011217773 [0,2,0,0,0,0|2,0,0]=4 2105 B21R2.287641 CCCC(C)C(=O)C(c1ccccc1)c2ccccc2 1458a_100000210906_100011216954 [0,2,0,0,0,0|2,0,0]=4 2106 B21R2.287641 CCCC(C)C(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000766640 [0,2,0,0,0,0|2,0,0]=4 2107 B21R2.287641 CCCC(C)N(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000766640 [0,2,0,0,0,0|2,0,0]=4 2108 B21R2.287641 CCCC(C)N(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000766640 [0,2,0,0,0,0|2,0,0]=4 2109 B21R2.287641 CCCC(C)N(C)C(c1ccccc1)c2ccccc2 270004a_100103148541_100000211909 [0,2,0,0,0,0|2,0,0]=4 2110 B21R2.287641 CCC[C@H](O)C(=O)C(c1ccccc1)c2ccccc2 1458a_100009822183_100011216954 [0,2,0,0,0,0|2,0,0]=4 2111 B21R2.287641 COCC(C)C(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000765312 [0,2,0,0,0,0|2,0,0]=4 2112 B21R2.287641 COCC(C)C(=O)C(c1ccccc1)c2ccccc2 1458a_100000751857_100011216954 [0,2,0,0,0,0|2,0,0]=4 2113 B21R2.287641 COCC(C)N(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000765312 [0,2,0,0,0,0|2,0,0]=4 2114 B21R2.287641 COCC(C)N(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000765312 [0,2,0,0,0,0|2,0,0]=4 2115 B21R2.287641 COCC(C)N(C)C(c1ccccc1)c2ccccc2 270004a_100103148541_100000749346 [0,2,0,0,0,0|2,0,0]=4 2116 B21R2.287641 CSCC(C)C(=O)C(c1ccccc1)c2ccccc2 1458a_100000753918_100011216954 [0,2,0,0,0,0|2,0,0]=4 2117 B21R2.287641 CSCC(C)N(C)C(c1ccccc1)c2ccccc2 270004a_100103148541_100011216314 [0,2,0,0,0,0|2,0,0]=4 2118 B21R2.402445 C=C(C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000730704 [0,2,0,0,0,0|2,0,0]=4 2119 B21R2.402445 C=C(C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_200000688413_100011216954 [0,2,0,0,0,0|2,0,0]=4 2120 B21R2.402445 C=C(C)CCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000730704 [0,2,0,0,0,0|2,0,0]=4 2121 B21R2.402445 C=C(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000730704 [0,2,0,0,0,0|2,0,0]=4 2122 B21R2.402445 CC(=O)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000053229 [0,2,0,0,0,0|2,0,0]=4 2123 B21R2.402445 CC(C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000181311_100011216954 [0,2,0,0,0,0|2,0,0]=4 2124 B21R2.402445 CC(C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210312 [0,2,0,0,0,0|2,0,0]=4 2125 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 2230a_100000742789_100000211591 [0,2,0,0,0,0|2,0,0]=4 2126 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210312 [0,2,0,0,0,0|2,0,0]=4 2127 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100000742789_100000211591 [0,2,0,0,0,0|2,0,0]=4 2128 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210312 [0,2,0,0,0,0|2,0,0]=4 2129 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 270004a_100000742789_100000210122 [0,2,0,0,0,0|2,0,0]=4 2130 B21R2.402445 CC(O)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100012276601 [0,2,0,0,0,0|2,0,0]=4 2131 B21R2.402445 CC(O)CCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100012276601 [0,2,0,0,0,0|2,0,0]=4 2132 B21R2.402445 CC(O)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100012276601 [0,2,0,0,0,0|2,0,0]=4 2133 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100000225618_100000211591 [0,2,0,0,0,0|1,0,0]=3 2134 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000755713 [0,2,0,0,0,0|1,0,0]=3 2135 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccc2 270004a_100000225618_100000210122 [0,2,0,0,0,0|1,0,0]=3 2136 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccn2 270004a_100000225618_100000210380 [0,2,0,0,0,0|2,0,0]=4 2137 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2cccnc2 270004a_100000225618_100000735413 [0,2,0,0,0,0|2,0,0]=4 2138 B21R2.402445 C[S+](C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100009452791_100011216954 [0,2,0,0,0,0|2,0,0]=4 2139 B21R2.32761 CC(=O)C(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011261029 [0,2,0,0,0,0|1,0,1]=4 2140 B21R2.32761 CC(=O)C(C)COC(c1ccccc1)c2ccccc2 7a_100000032740_100011216954 [0,2,0,0,0,0|1,0,0]=3 2141 B21R2.32761 CC(C)C(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000753385 [0,2,0,0,0,0|1,0,1]=4 2142 B21R2.32761 CC(C)C(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000753385 [0,2,0,0,0,0|1,0,1]=4 2143 B21R2.32761 CC(C)C(O)CNC(c1ccccc1)c2ccccc2 2230a_100000759067_100000211591 [0,2,0,0,0,0|2,0,0]=4 2144 B21R2.32761 CC(C)C(O)CNC(c1ccccc1)c2ccccc2 270004a_100000759067_100000210122 [0,2,0,0,0,0|2,0,0]=4 2145 B21R2.32761 CC(COC(c1ccccc1)c2ccccc2)[N+](=O)[O-] 7a_100000039676_100011216954 [0,2,0,0,0,0|1,0,1]=4 2146 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000185267 [0,2,0,0,0,0|1,0,1]=4 2147 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 2230a_100015183351_100000211591 [0,2,0,0,0,0|1,0,1]=4 2148 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 270004a_100015183351_100000210122 [0,2,0,0,0,0|1,0,1]=4 2149 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000692301 [0,2,0,0,0,0|1,0,1]=4 2150 B21R2.32761 CN(C)C(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000692301 [0,2,0,0,0,0|0,0,1]=3 2151 B21R2.32761 CN(C)C(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000692301 [0,2,0,0,0,0|0,0,1]=3 2152 B21R2.32761 CN(C)C(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000692301 [0,2,0,0,0,0|1,0,1]=4 2153 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 11a_100102631434_100000683935 [0,2,0,0,0,0|0,1,1]=4 2154 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 1626a_100102631434_100000683935 [0,2,0,0,0,0|0,1,1]=4 2155 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 240690a_100102631434_100000683935 [0,2,0,0,0,0|0,1,1]=4 2156 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 527a_100102631434_100000683935 [0,2,0,0,0,0|0,1,1]=4 2157 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000692301 [0,2,0,0,0,0|0,1,1]=4 2158 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 62a_100000692301_100011216954 [0,2,0,0,0,0|0,1,1]=4 2159 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000755188 [0,2,0,0,0,0|2,0,0]=4 2160 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000738805_100000211591 [0,2,0,0,0,0|2,0,0]=4 2161 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000738805_100000210122 [0,2,0,0,0,0|2,0,0]=4 2162 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000755188 [0,2,0,0,0,0|2,0,0]=4 2163 B21R2.38886 CC(C)(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000755188 [0,2,0,0,0,0|2,0,0]=4 2164 B21R2.38886 CC(C)(F)CCNC(c1ccccc1)c2ccccc2 2230a_100016253952_100000211591 [0,2,0,0,0,0|2,0,0]=4 2165 B21R2.38886 CC(C)(F)CCNC(c1ccccc1)c2ccccc2 270004a_100016253952_100000210122 [0,2,0,0,0,0|2,0,0]=4 2166 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000702414 [0,2,0,0,0,0|2,0,0]=4 2167 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccc2 270004a_100000707701_100000210122 [0,2,0,0,0,0|2,0,0]=4 2168 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000702414 [0,2,0,0,0,0|2,0,0]=4 2169 B21R2.38886 CC(C)(O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000702414 [0,2,0,0,0,0|1,0,0]=3 2170 B21R2.38886 CC(C)(O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000702414 [0,2,0,0,0,0|1,0,0]=3 2171 B21R2.38886 CC(C)(O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000702414 [0,2,0,0,0,0|2,0,0]=4 2172 B21R2.38886 CC(C)(O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000702414 [0,2,0,0,0,0|1,1,0]=4 2173 B21R2.38886 CC(C)(O)CCSC(c1ccccc1)c2ccccc2 62a_100000702414_100011216954 [0,2,0,0,0,0|1,1,0]=4 2174 B21R2.38886 CS(=O)(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000731031 [0,2,0,0,0,0|2,0,0]=4 2175 B21R2.38886 CS(=O)(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000740961_100000211591 [0,2,0,0,0,0|2,0,0]=4 2176 B21R2.38886 CS(=O)(=O)CCNC(c1ccccc1)c2ccccc2 270004a_100000740961_100000210122 [0,2,0,0,0,0|2,0,0]=4 2177 B21R2.38886 CS(=O)(=O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000731031 [0,2,0,0,0,0|2,0,0]=4 2178 B21R2.38886 CS(=O)(=O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000731031 [0,2,0,0,0,0|1,0,0]=3 2179 B21R2.38886 CS(=O)(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000230027 [0,2,0,0,0,0|1,0,0]=3 2180 B21R2.38886 CS(=O)(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211924_100011216954 [0,2,0,0,0,0|1,0,0]=3 2181 B21R2.38886 CS(=O)(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000230027 [0,2,0,0,0,0|2,0,0]=4 2182 B21R2.38886 CS(=O)(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000230027 [0,2,0,0,0,0|1,1,0]=4 2183 B21R2.38886 CS(=O)(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000731031_100011216954 [0,2,0,0,0,0|1,1,0]=4 2184 B21R2.38886 C[N+](C)(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000106457_100000210122 [0,2,0,0,0,0|1,0,1]=4 2185 B21R2.38886 C[N+](C)(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000085578 [0,2,0,0,0,0|1,0,1]=4 2186 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000085578 [0,2,0,0,0,0|0,0,1]=3 2187 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000085578 [0,2,0,0,0,0|0,0,1]=3 2188 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2 7a_200020618287_100011216954 [0,2,0,0,0,0|0,0,1]=3 2189 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000085578 [0,2,0,0,0,0|1,0,1]=4 2190 B21R2.38886 C[N+](C)(C)CCSC(c1ccccc1)c2ccccc2 62a_100000085578_100011216954 [0,2,0,0,0,0|0,1,1]=4 2191 B21R2.38886 C[N+](C)(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000085578 [0,2,0,0,0,0|0,1,1]=4 2192 B21R2.38886 C[Si](C)(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200000733723 [0,2,0,0,0,0|2,0,0]=4 2193 B21R2.38886 C[Si](C)(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_200000733723 [0,2,0,0,0,0|2,0,0]=4 2194 B21R2.38886 C[Si](C)(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_200000733723 [0,2,0,0,0,0|2,0,0]=4 2195 B21R2.38886 FC(F)(F)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011219754 [0,2,0,0,0,0|2,0,0]=4 2196 B21R2.38886 FC(F)(F)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011219754 [0,2,0,0,0,0|2,0,0]=4 2197 B21R2.38886 O=S(=O)([O-])CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000762736 [0,2,0,0,0,0|2,0,0]=4 2198 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000731052 [0,2,0,0,0,0|2,0,0]=4 2199 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 2230a_100000692259_100000211591 [0,2,0,0,0,0|2,0,0]=4 2200 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 270004a_100000692259_100000210122 [0,2,0,0,0,0|2,0,0]=4 2201 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100000731052 [0,2,0,0,0,0|2,0,0]=4 2202 B21R2.97772 CC(C)CC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000731052 [0,2,0,0,0,0|2,0,0]=4 2203 B21R2.97772 CC(CN(C)C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100020606517 [0,2,0,0,0,0|0,1,0]=3 2204 B21R2.97772 CC(CN(C)C)SC(c1ccccc1)c2ccccc2 62a_100020606517_100011216954 [0,2,0,0,0,0|0,1,0]=3 2205 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000750896 [0,2,0,0,0,0|1,0,1]=4 2206 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000750896 [0,2,0,0,0,0|1,0,1]=4 2207 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000750896 [0,2,0,0,0,0|1,0,1]=4 2208 B21R2.205989 C=C(C)CCNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000730704 [0,2,0,0,0,0|2,0,0]=4 2209 B21R2.205989 C=C(C)CCNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000730704 [0,2,0,0,0,0|2,0,0]=4 2210 B21R2.205989 C=C(C)CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000730704 [0,2,0,0,0,0|1,0,0]=3 2211 B21R2.205989 C=C(C)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000730704 [0,2,0,0,0,0|1,0,0]=3 2212 B21R2.205989 CC(=CCOC(c1ccccc1)c2ccccc2N)C 34a_100000246470_100000761012 [0,2,0,0,0,0|1,0,1]=4 2213 B21R2.205989 CC(=CCOC(c1ccccc1)c2ccccc2N)C 7a_100000246470_100000761012 [0,2,0,0,0,0|1,0,1]=4 2214 B21R2.205989 CC(=O)CCOC(c1ccccc1)c2ccccc2C 7a_100000212071_100000053229 [0,2,0,0,0,0|1,0,0]=3 2215 B21R2.205989 CC(=O)CCOC(c1ccccc1)c2ccccc2C 7a_100000759926_100000230135 [0,2,0,0,0,0|1,0,0]=3 2216 B21R2.205989 CC(=O)CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000053229 [0,2,0,0,0,0|1,0,0]=3 2217 B21R2.205989 CC(=O)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000053229 [0,2,0,0,0,0|1,0,0]=3 2218 B21R2.205989 CC(=O)CCSC(c1ccccc1)c2ccccc2C 62a_100000053229_100000230135 [0,2,0,0,0,0|1,1,0]=4 2219 B21R2.205989 CC(=O)CCSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000053229 [0,2,0,0,0,0|1,1,0]=4 2220 B21R2.205989 CC(=O)OCOC(c1ccccc1)c2ccccc2C 34a_100000212071_100009813279 [0,2,0,0,0,0|2,0,0]=4 2221 B21R2.205989 CC(=O)OCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100009813279 [0,2,0,0,0,0|2,0,0]=4 2222 B21R2.205989 CC(=O)OCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100009813279 [0,2,0,0,0,0|2,0,0]=4 2223 B21R2.205989 CC(C)CCNC(c1ccccc1)c2ccccc2F 270004a_100000210545_100011217773 [0,2,0,0,0,0|2,0,0]=4 2224 B21R2.205989 CC(C)CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000210312 [0,2,0,0,0,0|1,0,0]=3 2225 B21R2.205989 CC(C)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000210626 [0,2,0,0,0,0|1,0,0]=3 2226 B21R2.205989 CC(C)OCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000709892 [0,2,0,0,0,0|2,0,0]=4 2227 B21R2.205989 CC(C)OCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000709892 [0,2,0,0,0,0|2,0,0]=4 2228 B21R2.205989 CC(O)CCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100012276601 [0,2,0,0,0,0|2,0,0]=4 2229 B21R2.205989 CC(O)CCNC(c1ccccc1)c2ccccc2Br 270004a_200000755665_100000198044 [0,2,0,0,0,0|2,0,0]=4 2230 B21R2.205989 CC(O)CCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100012276601 [0,2,0,0,0,0|2,0,0]=4 2231 B21R2.205989 CC(O)CCNC(c1ccccc1)c2ccccc2Cl 270004a_200000755665_100011215288 [0,2,0,0,0,0|2,0,0]=4 2232 B21R2.205989 CC(O)CCNC(c1ccccc1)c2ccccc2F 270004a_200000755665_100011217773 [0,2,0,0,0,0|2,0,0]=4 2233 B21R2.205989 CC(O)CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100012276601 [0,2,0,0,0,0|1,0,0]=3 2234 B21R2.205989 CC(O)CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100012276601 [0,2,0,0,0,0|1,0,0]=3 2235 B21R2.205989 CC(O)CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100012276601 [0,2,0,0,0,0|1,0,0]=3 2236 B21R2.205989 CC(O)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100012276601 [0,2,0,0,0,0|1,0,0]=3 2237 B21R2.205989 CN(C)CCNC(c1ccccc1)c2ccccc2Br 270004a_100000210585_100000198044 [0,2,0,0,0,0|1,0,0]=3 2238 B21R2.205989 CN(C)CCNC(c1ccccc1)c2ccccc2Cl 270004a_100000210585_100011215288 [0,2,0,0,0,0|1,0,0]=3 2239 B21R2.205989 CN(C)CCNC(c1ccccc1)c2ccccc2F 270004a_100000210585_100011217773 [0,2,0,0,0,0|1,0,0]=3 2240 B21R2.205989 CN(C)CCNC(c1ccccn1)c2ccccc2Cl 270004a_100000210585_100011400554 [0,2,0,0,0,0|2,0,0]=4 2241 B21R2.205989 CN(C)CCNC(c1cccnc1)c2ccccc2Br 270004a_100000210585_100011532686 [0,2,0,0,0,0|2,0,0]=4 2242 B21R2.205989 CN(C)CCNC(c1cccnc1)c2ccccc2Cl 270004a_100000210585_200011400555 [0,2,0,0,0,0|2,0,0]=4 2243 B21R2.205989 CN(C)CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000755713 [0,2,0,0,0,0|0,0,0]=2 2244 B21R2.205989 CN(C)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000755713 [0,2,0,0,0,0|0,0,0]=2 2245 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 2230a_100000222801_100000210312 [0,2,0,0,0,0|2,0,0]=4 2246 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 269862a_100000222801_100000185833 [0,2,0,0,0,0|2,0,0]=4 2247 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 270004a_100000210545_100000735561 [0,2,0,0,0,0|2,0,0]=4 2248 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 34a_100000222801_100000210312 [0,2,0,0,0,0|2,0,0]=4 2249 B21R2.205989 Cc1ccccc1C(NCCC(C)O)c2ccccc2 2230a_100000222801_100012276601 [0,2,0,0,0,0|2,0,0]=4 2250 B21R2.205989 Cc1ccccc1C(NCCC(C)O)c2ccccc2 2230a_200000755665_100000230135 [0,2,0,0,0,0|2,0,0]=4 2251 B21R2.205989 Cc1ccccc1C(NCCC(C)O)c2ccccc2 270004a_200000755665_100000735561 [0,2,0,0,0,0|2,0,0]=4 2252 B21R2.205989 Cc1ccccc1C(NCCC(C)O)c2ccccc2 34a_100000222801_100012276601 [0,2,0,0,0,0|2,0,0]=4 2253 B21R2.205989 Cc1ccccc1C(NCCN(C)C)c2ccccc2 270004a_100000210585_100000735561 [0,2,0,0,0,0|1,0,0]=3 2254 B21R2.205989 Cc1ccccc1C(OCCC(=O)N)c2ccccc2 34a_100000212071_100000731001 [0,2,0,0,0,0|2,0,0]=4 2255 B21R2.205989 Cc1ccccc1C(OCCC(=O)N)c2ccccc2 7a_100000212071_100000744528 [0,2,0,0,0,0|2,0,0]=4 2256 B21R2.205989 Cc1ccccc1C(OCCC(=O)N)c2ccccc2 7a_100000757172_100000230135 [0,2,0,0,0,0|2,0,0]=4 2257 B21R2.205989 Cc1ccccc1C(OCCC(C)O)c2ccccc2 34a_100000212071_100012276601 [0,2,0,0,0,0|1,0,0]=3 2258 B21R2.205989 Cc1ccccc1C(OCCC(C)O)c2ccccc2 7a_100000212071_100012276601 [0,2,0,0,0,0|1,0,0]=3 2259 B21R2.205989 Cc1ccccc1C(OCCN(C)C)c2ccccc2 7a_100000212071_100000755713 [0,2,0,0,0,0|0,0,0]=2 2260 B21R2.205989 Cc1ccccc1C(OCOC(C)C)c2ccccc2 34a_100000212071_100000709892 [0,2,0,0,0,0|2,0,0]=4 2261 B21R2.205989 Cc1ccccc1C(SCCC(C)O)c2ccccc2 62a_100000230135_100012276601 [0,2,0,0,0,0|1,1,0]=4 2262 B21R2.205989 Cc1ccccc1C(SCCC(C)O)c2ccccc2 62a_100012276601_100000230135 [0,2,0,0,0,0|1,1,0]=4 2263 B21R2.205989 Cc1ccccc1C(SCCN(C)C)c2ccccc2 62a_100000230135_100000755713 [0,2,0,0,0,0|0,1,0]=3 2264 B21R2.205989 NC(=O)CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000731001 [0,2,0,0,0,0|2,0,0]=4 2265 B21R2.205989 NC(=O)CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000744528 [0,2,0,0,0,0|2,0,0]=4 2266 B21R2.205989 NC(=O)CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000731001 [0,2,0,0,0,0|2,0,0]=4 2267 B21R2.205989 NC(=O)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000744528 [0,2,0,0,0,0|2,0,0]=4 2268 B21R2.252285 C=C(C)CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000730704 [0,2,0,0,0,0|1,0,0]=3 2269 B21R2.252285 C=C(C)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000730704 [0,2,0,0,0,0|2,0,0]=4 2270 B21R2.252285 CC(=CCOC(C)(c1ccccc1)c2ccccc2)C 7a_100011202337_100000761012 [0,2,0,0,0,0|1,0,1]=4 2271 B21R2.252285 CC(=O)CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000053229 [0,2,0,0,0,0|1,0,0]=3 2272 B21R2.252285 CC(=O)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000053229 [0,2,0,0,0,0|2,0,0]=4 2273 B21R2.252285 CC(C)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210626 [0,2,0,0,0,0|2,0,0]=4 2274 B21R2.252285 CC(O)CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100012276601 [0,2,0,0,0,0|1,0,0]=3 2275 B21R2.252285 CC(O)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100012276601 [0,2,0,0,0,0|2,0,0]=4 2276 B21R2.252285 CC(OCCC(=O)N)(c1ccccc1)c2ccccc2 7a_100011202337_100000744528 [0,2,0,0,0,0|2,0,0]=4 2277 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000755713 [0,2,0,0,0,0|0,0,0]=2 2278 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000755713 [0,2,0,0,0,0|1,0,0]=3 2279 B21R2.1815 CCC(=O)C(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000742827 [0,2,0,0,0,0|1,0,1]=4 2280 B21R2.1815 CCC(C)C(C)NC(c1ccccc1)c2ccccc2 269862a_100000162943_100000210599 [0,2,0,0,0,0|2,0,0]=4 2281 B21R2.1815 CCC(C)C(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000210599 [0,2,0,0,0,0|2,0,0]=4 2282 B21R2.1815 CNC(=O)C(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000731044 [0,2,0,0,0,0|1,0,1]=4 2283 B21R2.1815 CNC(=O)C(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100000731044 [0,2,0,0,0,0|1,0,1]=4 2284 B21R2.1815 CNC(=O)C(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100000731044 [0,2,0,0,0,0|0,0,1]=3 2285 B21R2.1815 CNC(=O)C(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000209862 [0,2,0,0,0,0|0,0,1]=3 2286 B21R2.1815 CNC(=O)C(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000209862 [0,2,0,0,0,0|1,0,1]=4 2287 B21R2.1815 CNC(=O)C(C)SC(c1ccccc1)c2ccccc2 62a_100000209862_100011216954 [0,2,0,0,0,0|0,1,1]=4 2288 B21R2.1815 CNC(=O)C(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100000731044 [0,2,0,0,0,0|0,1,1]=4 2289 B21R2.1815 CNC(=O)C(F)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100009813575 [0,2,0,0,0,0|1,0,1]=4 2290 B21R2.1815 CNC(=O)C(F)NC(c1ccccc1)c2ccccc2 34a_100000162943_100009813575 [0,2,0,0,0,0|1,0,1]=4 2291 B21R2.1815 CNC(=O)C(F)OC(c1ccccc1)c2ccccc2 34a_100000211180_100009813575 [0,2,0,0,0,0|0,0,1]=3 2292 B21R2.1815 CNC(=O)C(F)OC(c1ccccc1)c2ccccc2 7a_100000211180_100009813575 [0,2,0,0,0,0|0,0,1]=3 2293 B21R2.1815 CNC(=O)C(F)OC(c1ccccc1)c2ccccn2 7a_100000180852_100009813575 [0,2,0,0,0,0|1,0,1]=4 2294 B21R2.1815 CNC(=O)C(F)SC(c1ccccc1)c2ccccc2 62a_100000211591_100009813575 [0,2,0,0,0,0|0,1,1]=4 2295 B21R2.1815 CNC(=O)C(F)SC(c1ccccc1)c2ccccc2 62a_100009813575_100011216954 [0,2,0,0,0,0|0,1,1]=4 2296 B21R2.1815 CNC(=O)[C@@H](C)NC(c1ccccc1)c2ccccc2 2230a_100000684985_100000211591 [0,2,0,0,0,0|1,0,1]=4 2297 B21R2.1815 CNC(C)C(=O)NC(c1ccccc1)c2ccccc2 2230a_106832991635_100000389546 [0,2,0,0,0,0|1,0,1]=4 2298 B21R2.1815 CNC(C)C(=O)NC(c1ccccc1)c2ccccc2 7a_106832991635_100000389546 [0,2,0,0,0,0|1,0,1]=4 2299 B21R2.1815 COC(=O)C(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100000211248 [0,2,0,0,0,0|1,0,1]=4 2300 B21R2.1815 COC(=O)C(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000211248 [0,2,0,0,0,0|1,0,1]=4 2301 B21R2.5883 C#CC(CCC)OC(c1ccccc1)c2ccccc2 7a_200011217317_100011216954 [0,2,0,0,0,0|1,0,0]=3 2302 B21R2.5883 C#CCC(CC)OC(c1ccccc1)c2ccccc2 7a_200011217983_100011216954 [0,2,0,0,0,0|1,0,1]=4 2303 B21R2.5883 C=CCC(C=C)OC(c1ccccc1)c2ccccc2 7a_100000038011_100011216954 [0,2,0,0,0,0|1,0,1]=4 2304 B21R2.5883 CC#CC(CC)OC(c1ccccc1)c2ccccc2 7a_200011219922_100011216954 [0,2,0,0,0,0|1,0,1]=4 2305 B21R2.5883 CCC(COC)NC(c1ccccc1)c2ccccc2 2230a_100000757820_100000211591 [0,2,0,0,0,0|2,0,0]=4 2306 B21R2.5883 CCC(COC)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000757811 [0,2,0,0,0,0|2,0,0]=4 2307 B21R2.5883 CCC(COC)NC(c1ccccc1)c2ccccc2 270004a_100000757820_100000210122 [0,2,0,0,0,0|2,0,0]=4 2308 B21R2.5883 CCC(COC)OC(c1ccccc1)c2ccccc2 7a_200011214946_100011216954 [0,2,0,0,0,0|1,0,0]=3 2309 B21R2.5883 CCCC(C#N)OC(c1ccccc1)c2ccccc2 7a_100000686963_100011216954 [0,2,0,0,0,0|1,0,0]=3 2310 B21R2.5883 CCCC(CC)NC(c1ccccc1)c2ccccc2 2230a_100000747048_100000211591 [0,2,0,0,0,0|2,0,0]=4 2311 B21R2.5883 CCCC(CC)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000687865 [0,2,0,0,0,0|2,0,0]=4 2312 B21R2.5883 CCCC(CC)NC(c1ccccc1)c2ccccc2 270004a_100000747048_100000210122 [0,2,0,0,0,0|2,0,0]=4 2313 B21R2.5883 CCCC(CC)OC(c1ccccc1)c2ccccn2 7a_100000180852_100011219200 [0,2,0,0,0,0|2,0,0]=4 2314 B21R2.5883 CCC[C@@H](CO)NC(c1ccccc1)c2ccccc2 2230a_100000732646_100000211591 [0,2,0,0,0,0|2,0,0]=4 2315 B21R2.5883 COCC(CO)NC(c1ccccc1)c2ccccc2 2230a_100000724102_100000211591 [0,2,0,0,0,0|2,0,0]=4 2316 B21R2.5883 COCC(CO)NC(c1ccccc1)c2ccccc2 270004a_100000724102_100000210122 [0,2,0,0,0,0|2,0,0]=4 2317 B21R2.26144 CC(CC#N)OC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100009813641 [0,2,0,0,0,0|2,0,0]=4 2318 B21R2.26144 CC(CCO)OC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100009893172 [0,2,0,0,0,0|2,0,0]=4 2319 B21R2.26144 CCCC(C)OC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000766640 [0,2,0,0,0,0|2,0,0]=4 2320 B21R2.26144 COCC(C)OC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000765312 [0,2,0,0,0,0|1,0,0]=3 2321 B21R2.26144 COCC(C)OC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000765312 [0,2,0,0,0,0|2,0,0]=4 2322 B21R2.31126 COCC(C)(C)NC(c1ccccc1)c2ccccc2 2230a_100000752728_100000211591 [0,2,0,0,0,0|2,0,0]=4 2323 B21R2.31126 COCC(C)(C)NC(c1ccccc1)c2ccccc2 270004a_100000752728_100000210122 [0,2,0,0,0,0|2,0,0]=4 2324 B21R2.31126 CSCC(C)(C)NC(c1ccccc1)c2ccccc2 2230a_100000759623_100000211591 [0,2,0,0,0,0|2,0,0]=4 2325 B21R2.31126 CSCC(C)(C)NC(c1ccccc1)c2ccccc2 270004a_100000759623_100000210122 [0,2,0,0,0,0|2,0,0]=4 2326 B21R2.31126 CSCC(C)(C)NC(c1ccccc1)c2ccccc2 7a_100000759623_100011216954 [0,2,0,0,0,0|2,0,0]=4 2327 B21R2.322747 C#CCC(C)OC(c1ccccc1)c2ccccc2C 7a_100000685586_100000230135 [0,2,0,0,0,0|1,0,1]=4 2328 B21R2.322747 CC(CC#N)OC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100009813641 [0,2,0,0,0,0|2,0,0]=4 2329 B21R2.322747 CC(CC#N)OC(c1ccccc1)c2ccccc2N 7a_100000246470_100009813641 [0,2,0,0,0,0|2,0,0]=4 2330 B21R2.322747 CC(CCO)OC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100009893172 [0,2,0,0,0,0|2,0,0]=4 2331 B21R2.322747 CC(CCO)OC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100009893172 [0,2,0,0,0,0|2,0,0]=4 2332 B21R2.322747 CC(CCO)OC(c1ccccc1)c2ccccc2N 34a_100000246470_100009893172 [0,2,0,0,0,0|2,0,0]=4 2333 B21R2.322747 CC(CCO)OC(c1ccccc1)c2ccccc2N 7a_100000246470_100009893172 [0,2,0,0,0,0|2,0,0]=4 2334 B21R2.322747 CCCC(C)NC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000766640 [0,2,0,0,0,0|2,0,0]=4 2335 B21R2.322747 CCCC(C)NC(c1ccccc1)c2ccccc2C 2230a_100000741246_100000230135 [0,2,0,0,0,0|2,0,0]=4 2336 B21R2.322747 CCCC(C)NC(c1ccccc1)c2ccccc2C 270004a_100000222801_100000211909 [0,2,0,0,0,0|2,0,0]=4 2337 B21R2.322747 CCCC(C)NC(c1ccccc1)c2ccccc2C 270004a_100000741246_100000735561 [0,2,0,0,0,0|2,0,0]=4 2338 B21R2.322747 CCCC(C)NC(c1ccccc1)c2ccccc2C 34a_100000222801_100000766640 [0,2,0,0,0,0|2,0,0]=4 2339 B21R2.322747 CCCC(C)NC(c1ccccc1)c2ccccc2F 270004a_100000741246_100011217773 [0,2,0,0,0,0|2,0,0]=4 2340 B21R2.322747 CCCC(C)OC(c1ccccc1)c2ccccc2N 34a_100000246470_100000766640 [0,2,0,0,0,0|1,0,0]=3 2341 B21R2.322747 CCCC(C)OC(c1ccccc1)c2ccccc2N 7a_100000246470_100000766640 [0,2,0,0,0,0|1,0,0]=3 2342 B21R2.322747 COCC(C)NC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000765312 [0,2,0,0,0,0|2,0,0]=4 2343 B21R2.322747 COCC(C)NC(c1ccccc1)c2ccccc2Br 270004a_100011211563_100000749346 [0,2,0,0,0,0|2,0,0]=4 2344 B21R2.322747 COCC(C)NC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000765312 [0,2,0,0,0,0|2,0,0]=4 2345 B21R2.322747 COCC(C)NC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000765312 [0,2,0,0,0,0|2,0,0]=4 2346 B21R2.322747 COCC(C)NC(c1ccccc1)c2ccccc2C 270004a_100000222801_100000749346 [0,2,0,0,0,0|2,0,0]=4 2347 B21R2.322747 COCC(C)NC(c1ccccc1)c2ccccc2C 34a_100000222801_100000765312 [0,2,0,0,0,0|2,0,0]=4 2348 B21R2.322747 COCC(C)OC(c1ccccc1)c2ccccc2C 34a_100000212071_100000765312 [0,2,0,0,0,0|1,0,0]=3 2349 B21R2.322747 COCC(C)OC(c1ccccc1)c2ccccc2C 7a_100000212071_100000765312 [0,2,0,0,0,0|1,0,0]=3 2350 B21R2.322747 COCC(C)OC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000765312 [0,2,0,0,0,0|1,0,0]=3 2351 B21R2.322747 COCC(C)OC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000765312 [0,2,0,0,0,0|1,0,0]=3 2352 B21R2.322747 COCC(C)OC(c1ccccc1)c2ccccc2N 34a_100000246470_100000765312 [0,2,0,0,0,0|1,0,0]=3 2353 B21R2.322747 COCC(C)OC(c1ccccc1)c2ccccc2N 7a_100000246470_100000765312 [0,2,0,0,0,0|1,0,0]=3 2354 B21R2.322747 COCC(C)SC(c1ccccc1)c2ccccc2C 62a_100000230135_100000765312 [0,2,0,0,0,0|1,1,0]=4 2355 B21R2.322747 COCC(C)SC(c1ccccc1)c2ccccc2C 62a_100000765312_100000230135 [0,2,0,0,0,0|1,1,0]=4 2356 B21R2.322747 COC[C@@H](C)NC(c1ccccc1)c2ccccc2Br 270004a_100000764878_100000198044 [0,2,0,0,0,0|2,0,0]=4 2357 B21R2.322747 COC[C@@H](C)NC(c1ccccc1)c2ccccc2C 2230a_100000764878_100000230135 [0,2,0,0,0,0|2,0,0]=4 2358 B21R2.322747 COC[C@@H](C)NC(c1ccccc1)c2ccccc2C 270004a_100000764878_100000735561 [0,2,0,0,0,0|2,0,0]=4 2359 B21R2.322747 COC[C@@H](C)NC(c1ccccc1)c2ccccc2Cl 270004a_100000764878_100011215288 [0,2,0,0,0,0|2,0,0]=4 2360 B21R2.322747 COC[C@@H](C)NC(c1ccccc1)c2ccccc2F 270004a_100000764878_100011217773 [0,2,0,0,0,0|2,0,0]=4 2361 B21R2.322747 CSCC(C)NC(c1ccccc1)c2ccccc2Br 270004a_100011211563_100011216314 [0,2,0,0,0,0|2,0,0]=4 2362 B21R2.322747 CSCC(C)NC(c1ccccc1)c2ccccc2C 270004a_100000222801_100011216314 [0,2,0,0,0,0|2,0,0]=4 2363 B21R2.322747 Cc1ccccc1C(OC(C)CC#N)c2ccccc2 7a_100000212071_100009813641 [0,2,0,0,0,0|2,0,0]=4 2364 B21R2.322747 Cc1ccccc1C(OC(C)CCO)c2ccccc2 34a_100000212071_100009893172 [0,2,0,0,0,0|2,0,0]=4 2365 B21R2.322747 Cc1ccccc1C(OC(C)CCO)c2ccccc2 7a_100000212071_100009893172 [0,2,0,0,0,0|2,0,0]=4 2366 B21R2.22881 C=CC(O)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000730141 [0,2,0,0,0,0|1,0,1]=4 2367 B21R2.22881 CC(OCC(O)CO)(c1ccccc1)c2ccccc2 7a_100011202337_100011219619 [0,2,0,0,0,0|2,0,0]=4 2368 B21R2.22881 CC(OC[C@@H](O)CF)(c1ccccc1)c2ccccc2 7a_100011202337_100015614560 [0,2,0,0,0,0|2,0,0]=4 2369 B21R2.22881 CC(OC[C@@H](O)CO)(c1ccccc1)c2ccccc2 7a_100011202337_100009815848 [0,2,0,0,0,0|2,0,0]=4 2370 B21R2.22881 CCC(=O)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000747405 [0,2,0,0,0,0|1,0,1]=4 2371 B21R2.22881 CCC(C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000748023 [0,2,0,0,0,0|2,0,0]=4 2372 B21R2.22881 CCC(O)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100011218378 [0,2,0,0,0,0|1,0,0]=3 2373 B21R2.22881 CCC(O)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100011218378 [0,2,0,0,0,0|2,0,0]=4 2374 B21R2.22881 CC[C@H](C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100009816398 [0,2,0,0,0,0|2,0,0]=4 2375 B21R2.22881 CNC(=O)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000183359 [0,2,0,0,0,0|0,0,1]=3 2376 B21R2.22881 CNC(=O)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000183359 [0,2,0,0,0,0|1,0,1]=4 2377 B21R2.22881 COC(=O)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000747449 [0,2,0,0,0,0|1,0,1]=4 2378 B21R2.22881 C[C@@H](CO)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000059175 [0,2,0,0,0,0|2,0,0]=4 2379 B21R2.194993 CC(C)(CO)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009813988 [0,2,0,0,0,0|2,0,0]=4 2380 B21R2.194993 CC(C)(CO)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009813988 [0,2,0,0,0,0|2,0,0]=4 2381 B21R2.194993 COC(C)(C)CNC(c1ccccc1)c2ccccc2 2230a_100000763424_100000211591 [0,2,0,0,0,0|2,0,0]=4 2382 B21R2.194993 COC(C)(C)CNC(c1ccccc1)c2ccccc2 270004a_100000763424_100000210122 [0,2,0,0,0,0|2,0,0]=4 2383 B21R2.194993 COC(C)(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000701081 [0,2,0,0,0,0|2,0,0]=4 2384 B21R2.194993 COC(C)(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000701081 [0,2,0,0,0,0|1,0,0]=3 2385 B21R2.194993 COC(C)(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000701081 [0,2,0,0,0,0|1,1,0]=4 2386 B21R2.194993 COC(C)(C)CSC(c1ccccc1)c2ccccc2 62a_100000701081_100011216954 [0,2,0,0,0,0|1,1,0]=4 2387 B21R2.194993 CSC(C)(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100009845794 [0,2,0,0,0,0|2,0,0]=4 2388 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215472 [0,2,0,0,0,0|2,0,0]=4 2389 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 2230a_100102946423_100000211591 [0,2,0,0,0,0|2,0,0]=4 2390 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 269862a_100000162943_100000211137 [0,2,0,0,0,0|2,0,0]=4 2391 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000211137 [0,2,0,0,0,0|2,0,0]=4 2392 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 270004a_100102946423_100000210122 [0,2,0,0,0,0|2,0,0]=4 2393 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011215472 [0,2,0,0,0,0|2,0,0]=4 2394 B21R2.289104 CCC(CC)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011215472 [0,2,0,0,0,0|2,0,0]=4 2395 B21R2.289104 CCC(CNC(c1ccccc1)c2ccccc2)OC 270004a_100000731041_100000210122 [0,2,0,0,0,0|2,0,0]=4 2396 B21R2.289104 CCC(COC(c1ccccc1)c2ccccc2)OC 7a_100011934954_100011216954 [0,2,0,0,0,0|1,0,0]=3 2397 B21R2.289104 CCN(CC)COC(c1ccccc1)c2ccccc2 7a_200015374951_100011216954 [0,2,0,0,0,0|2,0,0]=4 2398 B21R2.289104 COC(CNC(c1ccccc1)c2ccccc2)OC 2230a_100000162943_100000751394 [0,2,0,0,0,0|2,0,0]=4 2399 B21R2.289104 COC(CNC(c1ccccc1)c2ccccc2)OC 270004a_100000162943_100000752162 [0,2,0,0,0,0|2,0,0]=4 2400 B21R2.289104 COC(CNC(c1ccccc1)c2ccccc2)OC 270004a_100000210479_100000210122 [0,2,0,0,0,0|2,0,0]=4 2401 B21R2.289104 COC(CNC(c1ccccc1)c2ccccc2)OC 34a_100000162943_100000211822 [0,2,0,0,0,0|2,0,0]=4 2402 B21R2.289104 COC(COC(c1ccccc1)c2ccccc2)OC 34a_100000211180_100000211822 [0,2,0,0,0,0|1,0,0]=3 2403 B21R2.289104 COC(COC(c1ccccc1)c2ccccc2)OC 7a_100000211180_100000751394 [0,2,0,0,0,0|1,0,0]=3 2404 B21R2.289104 COC(COC(c1ccccc1)c2ccccn2)OC 7a_100000180852_100000751394 [0,2,0,0,0,0|2,0,0]=4 2405 B21R2.289104 COC(CSC(c1ccccc1)c2ccccc2)OC 62a_100000211591_100000751394 [0,2,0,0,0,0|1,1,0]=4 2406 B21R2.289104 COC(CSC(c1ccccc1)c2ccccc2)OC 62a_100000751394_100011216954 [0,2,0,0,0,0|1,1,0]=4 2407 B21R2.407759 C=CC(C)COC(c1ccccc1)c2ccccc2C 7a_100011215527_100000230135 [0,2,0,0,0,0|1,0,1]=4 2408 B21R2.407759 C=CC(O)COC(c1ccccc1)c2ccccc2C 34a_100000212071_100000730141 [0,2,0,0,0,0|1,0,1]=4 2409 B21R2.407759 C=CC(O)COC(c1ccccc1)c2ccccc2C 7a_100000212071_100000730141 [0,2,0,0,0,0|1,0,1]=4 2410 B21R2.407759 C=CC(O)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000730141 [0,2,0,0,0,0|1,0,1]=4 2411 B21R2.407759 C=CC(O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000730141 [0,2,0,0,0,0|1,0,1]=4 2412 B21R2.407759 C=CC(O)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000730141 [0,2,0,0,0,0|1,0,1]=4 2413 B21R2.407759 C=CC(O)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000730141 [0,2,0,0,0,0|1,0,1]=4 2414 B21R2.407759 CCC(=O)COC(c1ccccc1)c2ccccc2C 7a_100000212071_100000747405 [0,2,0,0,0,0|1,0,1]=4 2415 B21R2.407759 CCC(=O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000747405 [0,2,0,0,0,0|1,0,1]=4 2416 B21R2.407759 CCC(=O)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000747405 [0,2,0,0,0,0|1,0,1]=4 2417 B21R2.407759 CCC(C)CNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000748023 [0,2,0,0,0,0|2,0,0]=4 2418 B21R2.407759 CCC(C)CNC(c1ccccc1)c2ccccc2C 2230a_100020588543_100000230135 [0,2,0,0,0,0|2,0,0]=4 2419 B21R2.407759 CCC(C)CNC(c1ccccc1)c2ccccc2C 270004a_100000222801_100000243153 [0,2,0,0,0,0|2,0,0]=4 2420 B21R2.407759 CCC(C)CNC(c1ccccc1)c2ccccc2C 270004a_100020588543_100000735561 [0,2,0,0,0,0|2,0,0]=4 2421 B21R2.407759 CCC(C)CNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000748023 [0,2,0,0,0,0|2,0,0]=4 2422 B21R2.407759 CCC(C)CNC(c1ccccc1)c2ccccc2F 270004a_100020588543_100011217773 [0,2,0,0,0,0|2,0,0]=4 2423 B21R2.407759 CCC(C)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000748023 [0,2,0,0,0,0|1,0,0]=3 2424 B21R2.407759 CCC(C)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000748023 [0,2,0,0,0,0|1,0,0]=3 2425 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100011218378 [0,2,0,0,0,0|2,0,0]=4 2426 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2Br 270004a_100011218483_100000198044 [0,2,0,0,0,0|2,0,0]=4 2427 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100011218378 [0,2,0,0,0,0|2,0,0]=4 2428 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100011218378 [0,2,0,0,0,0|2,0,0]=4 2429 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2C 2230a_100011218483_100000230135 [0,2,0,0,0,0|2,0,0]=4 2430 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2C 270004a_100011218483_100000735561 [0,2,0,0,0,0|2,0,0]=4 2431 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2C 34a_100000222801_100011218378 [0,2,0,0,0,0|2,0,0]=4 2432 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2Cl 270004a_100011218483_100011215288 [0,2,0,0,0,0|2,0,0]=4 2433 B21R2.407759 CCC(O)CNC(c1ccccc1)c2ccccc2F 270004a_100011218483_100011217773 [0,2,0,0,0,0|2,0,0]=4 2434 B21R2.407759 CCC(O)COC(c1ccccc1)c2ccccc2C 34a_100000212071_100011218378 [0,2,0,0,0,0|1,0,0]=3 2435 B21R2.407759 CCC(O)COC(c1ccccc1)c2ccccc2C 7a_100000212071_100011218378 [0,2,0,0,0,0|1,0,0]=3 2436 B21R2.407759 CCC(O)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100011218378 [0,2,0,0,0,0|1,0,0]=3 2437 B21R2.407759 CCC(O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011218378 [0,2,0,0,0,0|1,0,0]=3 2438 B21R2.407759 CCC(O)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100011218378 [0,2,0,0,0,0|1,0,0]=3 2439 B21R2.407759 CCC(O)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100011218378 [0,2,0,0,0,0|1,0,0]=3 2440 B21R2.407759 CCC(O)CSC(c1ccccc1)c2ccccc2C 62a_100000230135_100011218378 [0,2,0,0,0,0|1,1,0]=4 2441 B21R2.407759 CCC(O)CSC(c1ccccc1)c2ccccc2C 62a_100011218378_100000230135 [0,2,0,0,0,0|1,1,0]=4 2442 B21R2.407759 CC[C@H](C)CNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100009816398 [0,2,0,0,0,0|2,0,0]=4 2443 B21R2.407759 CC[C@H](C)CNC(c1ccccc1)c2ccccc2C 34a_100000222801_100009816398 [0,2,0,0,0,0|2,0,0]=4 2444 B21R2.407759 CC[C@H](C)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100009816398 [0,2,0,0,0,0|1,0,0]=3 2445 B21R2.407759 CC[C@H](C)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100009816398 [0,2,0,0,0,0|1,0,0]=3 2446 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000183359 [0,2,0,0,0,0|1,0,1]=4 2447 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2Br 270004a_100000693194_100000198044 [0,2,0,0,0,0|1,0,1]=4 2448 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000183359 [0,2,0,0,0,0|1,0,1]=4 2449 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2C 2230a_100000222801_100000183359 [0,2,0,0,0,0|1,0,1]=4 2450 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2C 2230a_100000693194_100000230135 [0,2,0,0,0,0|1,0,1]=4 2451 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2C 270004a_100000693194_100000735561 [0,2,0,0,0,0|1,0,1]=4 2452 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2C 34a_100000222801_100000183359 [0,2,0,0,0,0|1,0,1]=4 2453 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2Cl 270004a_100000693194_100011215288 [0,2,0,0,0,0|1,0,1]=4 2454 B21R2.407759 CNC(=O)CNC(c1ccccc1)c2ccccc2F 270004a_100000693194_100011217773 [0,2,0,0,0,0|1,0,1]=4 2455 B21R2.407759 CNC(=O)COC(c1ccccc1)c2ccccc2C 34a_100000212071_100000183359 [0,2,0,0,0,0|0,0,1]=3 2456 B21R2.407759 CNC(=O)COC(c1ccccc1)c2ccccc2C 7a_100000212071_100000183359 [0,2,0,0,0,0|0,0,1]=3 2457 B21R2.407759 CNC(=O)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000183359 [0,2,0,0,0,0|0,0,1]=3 2458 B21R2.407759 CNC(=O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000183359 [0,2,0,0,0,0|0,0,1]=3 2459 B21R2.407759 CNC(=O)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000183359 [0,2,0,0,0,0|0,0,1]=3 2460 B21R2.407759 CNC(=O)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000183359 [0,2,0,0,0,0|0,0,1]=3 2461 B21R2.407759 CNC(=O)CSC(c1ccccc1)c2ccccc2C 62a_100000183359_100000230135 [0,2,0,0,0,0|0,1,1]=4 2462 B21R2.407759 CNC(=O)CSC(c1ccccc1)c2ccccc2C 62a_100000230135_100000183359 [0,2,0,0,0,0|0,1,1]=4 2463 B21R2.407759 COC(=O)COC(c1ccccc1)c2ccccc2C 34a_100000212071_100000747449 [0,2,0,0,0,0|1,0,1]=4 2464 B21R2.407759 COC(=O)COC(c1ccccc1)c2ccccc2C 7a_100000212071_100000747449 [0,2,0,0,0,0|1,0,1]=4 2465 B21R2.407759 COC(=O)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000747449 [0,2,0,0,0,0|1,0,1]=4 2466 B21R2.407759 COC(=O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000747449 [0,2,0,0,0,0|1,0,1]=4 2467 B21R2.407759 COC(=O)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000747449 [0,2,0,0,0,0|1,0,1]=4 2468 B21R2.407759 COC(=O)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000747449 [0,2,0,0,0,0|1,0,1]=4 2469 B21R2.407759 CO[C@H](C)CNC(c1ccccc1)c2ccccc2Br 270004a_100020591295_100000198044 [0,2,0,0,0,0|2,0,0]=4 2470 B21R2.407759 CO[C@H](C)CNC(c1ccccc1)c2ccccc2C 2230a_100020591295_100000230135 [0,2,0,0,0,0|2,0,0]=4 2471 B21R2.407759 CO[C@H](C)CNC(c1ccccc1)c2ccccc2C 270004a_100020591295_100000735561 [0,2,0,0,0,0|2,0,0]=4 2472 B21R2.407759 CO[C@H](C)CNC(c1ccccc1)c2ccccc2Cl 270004a_100020591295_100011215288 [0,2,0,0,0,0|2,0,0]=4 2473 B21R2.407759 CO[C@H](C)CNC(c1ccccc1)c2ccccc2F 270004a_100020591295_100011217773 [0,2,0,0,0,0|2,0,0]=4 2474 B21R2.407759 C[C@@H](CO)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000059175 [0,2,0,0,0,0|2,0,0]=4 2475 B21R2.407759 C[C@@H](CO)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000059175 [0,2,0,0,0,0|2,0,0]=4 2476 B21R2.407759 C[C@@H](CO)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000059175 [0,2,0,0,0,0|2,0,0]=4 2477 B21R2.407759 C[C@@H](CO)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000059175 [0,2,0,0,0,0|2,0,0]=4 2478 B21R2.407759 Cc1ccccc1C(OCC(O)CO)c2ccccc2 34a_100000212071_100011219619 [0,2,0,0,0,0|2,0,0]=4 2479 B21R2.407759 Cc1ccccc1C(OCC(O)CO)c2ccccc2 7a_100000212071_100011219619 [0,2,0,0,0,0|2,0,0]=4 2480 B21R2.407759 Cc1ccccc1C(OC[C@@H](C)CO)c2ccccc2 34a_100000212071_100000059175 [0,2,0,0,0,0|2,0,0]=4 2481 B21R2.407759 Cc1ccccc1C(OC[C@@H](C)CO)c2ccccc2 7a_100000212071_100000059175 [0,2,0,0,0,0|2,0,0]=4 2482 B21R2.407759 Cc1ccccc1C(OC[C@@H](O)CF)c2ccccc2 34a_100000212071_100015614560 [0,2,0,0,0,0|2,0,0]=4 2483 B21R2.407759 Cc1ccccc1C(OC[C@@H](O)CF)c2ccccc2 7a_100000212071_100015614560 [0,2,0,0,0,0|2,0,0]=4 2484 B21R2.407759 Cc1ccccc1C(OC[C@@H](O)CO)c2ccccc2 34a_100000212071_100009815848 [0,2,0,0,0,0|2,0,0]=4 2485 B21R2.407759 Cc1ccccc1C(OC[C@@H](O)CO)c2ccccc2 7a_100000212071_100009815848 [0,2,0,0,0,0|2,0,0]=4 2486 B21R2.407759 Nc1ccccc1C(OCC(O)CO)c2ccccc2 34a_100000246470_100011219619 [0,2,0,0,0,0|2,0,0]=4 2487 B21R2.407759 Nc1ccccc1C(OCC(O)CO)c2ccccc2 7a_100000246470_100011219619 [0,2,0,0,0,0|2,0,0]=4 2488 B21R2.407759 Nc1ccccc1C(OC[C@@H](O)CF)c2ccccc2 34a_100000246470_100015614560 [0,2,0,0,0,0|2,0,0]=4 2489 B21R2.407759 Nc1ccccc1C(OC[C@@H](O)CF)c2ccccc2 7a_100000246470_100015614560 [0,2,0,0,0,0|2,0,0]=4 2490 B21R2.407759 Nc1ccccc1C(OC[C@@H](O)CO)c2ccccc2 34a_100000246470_100009815848 [0,2,0,0,0,0|2,0,0]=4 2491 B21R2.407759 Nc1ccccc1C(OC[C@@H](O)CO)c2ccccc2 7a_100000246470_100009815848 [0,2,0,0,0,0|2,0,0]=4 2492 B21R2.407759 OCC(O)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100011219619 [0,2,0,0,0,0|2,0,0]=4 2493 B21R2.407759 OCC(O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100011219619 [0,2,0,0,0,0|2,0,0]=4 2494 B21R2.407759 OC[C@H](O)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100009815848 [0,2,0,0,0,0|2,0,0]=4 2495 B21R2.407759 OC[C@H](O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100009815848 [0,2,0,0,0,0|2,0,0]=4 2496 B21R2.407759 O[C@@H](CF)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100015614560 [0,2,0,0,0,0|2,0,0]=4 2497 B21R2.407759 O[C@@H](CF)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100015614560 [0,2,0,0,0,0|2,0,0]=4 2498 B21R2.2344 C#CC(OC/C=C/C)(c1ccccc1)c2ccccc2 34a_100000033177_100102629194 [0,2,0,0,0,0|1,0,1]=4 2499 B21R2.2344 C#CC(OC/C=C/C)(c1ccccc1)c2ccccc2 7a_100000033177_100102629194 [0,2,0,0,0,0|1,0,1]=4 2500 B21R2.2344 C#CC(OCC#CC)(c1ccccc1)c2ccccc2 34a_100000033177_100000748600 [0,2,0,0,0,0|1,0,1]=4 2501 B21R2.2344 C#CC(OCC#CC)(c1ccccc1)c2ccccc2 7a_100000033177_100000748600 [0,2,0,0,0,0|1,0,1]=4 2502 B21R2.2344 C#CC(OCC=CC)(c1ccccc1)c2ccccc2 34a_100000033177_100000070051 [0,2,0,0,0,0|1,0,1]=4 2503 B21R2.2344 C#CC(OCC=CC)(c1ccccc1)c2ccccc2 7a_100000033177_100000070051 [0,2,0,0,0,0|1,0,1]=4 2504 B21R2.2344 C#CC(OCCC#N)(c1ccccc1)c2ccccc2 7a_100000033177_100000184422 [0,2,0,0,0,0|2,0,0]=4 2505 B21R2.2344 C#CC(OCCC=C)(c1ccccc1)c2ccccc2 34a_100000033177_100000754431 [0,2,0,0,0,0|1,0,1]=4 2506 B21R2.2344 C#CC(OCCC=C)(c1ccccc1)c2ccccc2 7a_100000033177_100000754431 [0,2,0,0,0,0|1,0,1]=4 2507 B21R2.2344 C#CC(OCCCC)(c1ccccc1)c2ccccc2 34a_100000033177_100000210210 [0,2,0,0,0,0|1,0,0]=3 2508 B21R2.2344 C#CC(OCCCC)(c1ccccc1)c2ccccc2 7a_100000033177_100000210211 [0,2,0,0,0,0|1,0,0]=3 2509 B21R2.2344 C#CC(OCCCF)(c1ccccc1)c2ccccc2 34a_100000033177_100011934791 [0,2,0,0,0,0|2,0,0]=4 2510 B21R2.2344 C#CC(OCCCF)(c1ccccc1)c2ccccc2 7a_100000033177_100011934791 [0,2,0,0,0,0|2,0,0]=4 2511 B21R2.2344 C#CC(OCCCO)(c1ccccc1)c2ccccc2 34a_100000033177_100000230001 [0,2,0,0,0,0|2,0,0]=4 2512 B21R2.2344 C#CC(OCCCO)(c1ccccc1)c2ccccc2 7a_100000033177_100011215043 [0,2,0,0,0,0|2,0,0]=4 2513 B21R2.2344 C#CC(OCCOC)(c1ccccc1)c2ccccc2 34a_100000033177_100011201679 [0,2,0,0,0,0|1,0,0]=3 2514 B21R2.2344 C#CC(OCCOC)(c1ccccc1)c2ccccc2 7a_100000033177_100000233755 [0,2,0,0,0,0|1,0,0]=3 2515 B21R2.2344 C#CC(OCCSC)(c1ccccc1)c2ccccc2 34a_100000033177_100000212216 [0,2,0,0,0,0|1,0,0]=3 2516 B21R2.2344 C#CC(OCCSC)(c1ccccc1)c2ccccc2 7a_100000033177_100000212216 [0,2,0,0,0,0|1,0,0]=3 2517 B21R2.2344 C#CCCOC(C#C)(c1ccccc1)c2ccccc2 34a_100000033177_100000688953 [0,2,0,0,0,0|1,0,1]=4 2518 B21R2.2344 C#CCCOC(C#C)(c1ccccc1)c2ccccc2 7a_100000033177_100000688953 [0,2,0,0,0,0|1,0,1]=4 2519 B21R2.28169 CCCCNC(c1ccccc1)c2ccccc2OC 270004a_100000102301_100011218802 [0,2,0,0,0,0|2,0,0]=4 2520 B21R2.28169 COCCNC(c1ccccc1)c2ccccc2OC 270004a_100000209980_100011218802 [0,2,0,0,0,0|2,0,0]=4 2521 B21R2.28169 COc1ccccc1C(NCCSC)c2ccccc2 270004a_100020590264_100011218802 [0,2,0,0,0,0|2,0,0]=4 2522 B21R2.2400084 COCCNC(c1ccccc1Cl)c2ccccc2Cl 270004a_100000209980_100000755194 [0,2,0,0,0,0|2,0,0]=4 2523 B21R2.2400084 COCCOC(c1ccccc1Cl)c2ccccc2Cl 34a_200000754862_100011201679 [0,2,0,0,0,0|1,0,0]=3 2524 B21R2.2400084 COCCOC(c1ccccc1Cl)c2ccccc2Cl 7a_200000754862_100000233755 [0,2,0,0,0,0|1,0,0]=3 2525 B21R2.2400084 OCCCOC(c1ccccc1Cl)c2ccccc2Cl 34a_200000754862_100000230001 [0,2,0,0,0,0|2,0,0]=4 2526 B21R2.2400084 OCCCOC(c1ccccc1Cl)c2ccccc2Cl 7a_200000754862_100011215043 [0,2,0,0,0,0|2,0,0]=4 2527 B21R2.416 C#CCCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100000688953 [0,0,0,0,0,2|1,0,1]=4 2528 B21R2.416 C#CCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000688953 [0,0,0,0,0,2|1,0,1]=4 2529 B21R2.416 C/C=C/COC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100102629194 [0,0,0,0,0,2|1,0,1]=4 2530 B21R2.416 C/C=C/COC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100102629194 [0,0,0,0,0,2|1,0,1]=4 2531 B21R2.416 C=CCCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100000754431 [0,0,0,0,0,2|1,0,1]=4 2532 B21R2.416 C=CCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000754431 [0,0,0,0,0,2|1,0,1]=4 2533 B21R2.416 CC#CCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100000748600 [0,0,0,0,0,2|1,0,1]=4 2534 B21R2.416 CC#CCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000748600 [0,0,0,0,0,2|1,0,1]=4 2535 B21R2.416 CC=CCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100000070051 [0,0,0,0,0,2|1,0,1]=4 2536 B21R2.416 CC=CCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000070051 [0,0,0,0,0,2|1,0,1]=4 2537 B21R2.416 CCCCNC(Cc1ccccc1)Cc2ccccc2 2230a_100000261440_100000210211 [0,0,0,0,0,2|2,0,0]=4 2538 B21R2.416 CCCCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100000210210 [0,0,0,0,0,2|1,0,0]=3 2539 B21R2.416 CCCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000210211 [0,0,0,0,0,2|1,0,0]=3 2540 B21R2.416 COCCNC(Cc1ccccc1)Cc2ccccc2 2230a_100000261440_100011201679 [0,0,0,0,0,2|2,0,0]=4 2541 B21R2.416 COCCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100011201679 [0,0,0,0,0,2|1,0,0]=3 2542 B21R2.416 COCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000233755 [0,0,0,0,0,2|1,0,0]=3 2543 B21R2.416 CSCCNC(Cc1ccccc1)Cc2ccccc2 2230a_100000261440_100000751147 [0,0,0,0,0,2|2,0,0]=4 2544 B21R2.416 CSCCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100000212216 [0,0,0,0,0,2|1,0,0]=3 2545 B21R2.416 CSCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000212216 [0,0,0,0,0,2|1,0,0]=3 2546 B21R2.416 FCCCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100011934791 [0,0,0,0,0,2|2,0,0]=4 2547 B21R2.416 FCCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100011934791 [0,0,0,0,0,2|2,0,0]=4 2548 B21R2.416 N#CCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100000184422 [0,0,0,0,0,2|2,0,0]=4 2549 B21R2.416 OCCCOC(Cc1ccccc1)Cc2ccccc2 34a_100000285930_100000230001 [0,0,0,0,0,2|2,0,0]=4 2550 B21R2.416 OCCCOC(Cc1ccccc1)Cc2ccccc2 7a_100000285930_100011215043 [0,0,0,0,0,2|2,0,0]=4 2551 B21R2.21313 C#CCCOC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_100000688953 [0,0,0,0,0,2|1,0,1]=4 2552 B21R2.21313 C#CCCOC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_100000688953 [0,0,0,0,0,2|1,0,1]=4 2553 B21R2.21313 C#CCCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100000688953 [0,0,0,0,0,2|1,0,1]=4 2554 B21R2.21313 C#CCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000688953 [0,0,0,0,0,2|1,0,1]=4 2555 B21R2.21313 C#CCCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100000688953 [0,0,0,0,0,2|1,0,1]=4 2556 B21R2.21313 C#CCCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000688953 [0,0,0,0,0,2|1,0,1]=4 2557 B21R2.21313 C#CCCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000688953 [0,0,0,0,0,2|1,0,1]=4 2558 B21R2.21313 C#CCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000688953 [0,0,0,0,0,2|1,0,1]=4 2559 B21R2.21313 C/C=C/COC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100102629194 [0,0,0,0,0,2|1,0,1]=4 2560 B21R2.21313 C/C=C/COC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100102629194 [0,0,0,0,0,2|1,0,1]=4 2561 B21R2.21313 C/C=C/COC(CCc1ccccc1)c2ccccc2 34a_200000373236_100102629194 [0,0,0,0,0,2|1,0,1]=4 2562 B21R2.21313 C/C=C/COC(CCc1ccccc1)c2ccccc2 7a_200000373236_100102629194 [0,0,0,0,0,2|1,0,1]=4 2563 B21R2.21313 C/C=C/COC(COc1ccccc1)c2ccccc2 34a_100000259978_100102629194 [0,0,0,0,0,2|1,0,1]=4 2564 B21R2.21313 C/C=C/COC(COc1ccccc1)c2ccccc2 7a_100000259978_100102629194 [0,0,0,0,0,2|1,0,1]=4 2565 B21R2.21313 C=CCCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100000754431 [0,0,0,0,0,2|1,0,1]=4 2566 B21R2.21313 C=CCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000754431 [0,0,0,0,0,2|1,0,1]=4 2567 B21R2.21313 C=CCCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100000754431 [0,0,0,0,0,2|1,0,1]=4 2568 B21R2.21313 C=CCCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000754431 [0,0,0,0,0,2|1,0,1]=4 2569 B21R2.21313 C=CCCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000754431 [0,0,0,0,0,2|1,0,1]=4 2570 B21R2.21313 C=CCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000754431 [0,0,0,0,0,2|1,0,1]=4 2571 B21R2.21313 CC#CCOC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_100000748600 [0,0,0,0,0,2|1,0,1]=4 2572 B21R2.21313 CC#CCOC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_100000748600 [0,0,0,0,0,2|1,0,1]=4 2573 B21R2.21313 CC#CCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100000748600 [0,0,0,0,0,2|1,0,1]=4 2574 B21R2.21313 CC#CCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000748600 [0,0,0,0,0,2|1,0,1]=4 2575 B21R2.21313 CC#CCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100000748600 [0,0,0,0,0,2|1,0,1]=4 2576 B21R2.21313 CC#CCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000748600 [0,0,0,0,0,2|1,0,1]=4 2577 B21R2.21313 CC#CCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000748600 [0,0,0,0,0,2|1,0,1]=4 2578 B21R2.21313 CC#CCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000748600 [0,0,0,0,0,2|1,0,1]=4 2579 B21R2.21313 CC=CCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100000070051 [0,0,0,0,0,2|1,0,1]=4 2580 B21R2.21313 CC=CCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000070051 [0,0,0,0,0,2|1,0,1]=4 2581 B21R2.21313 CC=CCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100000070051 [0,0,0,0,0,2|1,0,1]=4 2582 B21R2.21313 CC=CCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000070051 [0,0,0,0,0,2|1,0,1]=4 2583 B21R2.21313 CC=CCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000070051 [0,0,0,0,0,2|1,0,1]=4 2584 B21R2.21313 CC=CCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000070051 [0,0,0,0,0,2|1,0,1]=4 2585 B21R2.21313 CCCCNC(CCc1ccccc1)c2ccccc2 2230a_100000741669_100000210211 [0,0,0,0,0,2|2,0,0]=4 2586 B21R2.21313 CCCCNC(CCc1ccccc1)c2ccccc2 269862a_100000102301_100000685657 [0,0,0,0,0,2|2,0,0]=4 2587 B21R2.21313 CCCCNC(CCc1ccccc1)c2ccccc2 34a_100000741669_100000210210 [0,0,0,0,0,2|2,0,0]=4 2588 B21R2.21313 CCCCNC(COc1ccccc1)c2ccccc2 269862a_100000102301_100000150584 [0,0,0,0,0,2|2,0,0]=4 2589 B21R2.21313 CCCCNC(COc1ccccc1)c2ccccc2 270004a_100000102301_100000150584 [0,0,0,0,0,2|2,0,0]=4 2590 B21R2.21313 CCCCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100000210210 [0,0,0,0,0,2|1,0,0]=3 2591 B21R2.21313 CCCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000210211 [0,0,0,0,0,2|1,0,0]=3 2592 B21R2.21313 CCCCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000210210 [0,0,0,0,0,2|1,0,0]=3 2593 B21R2.21313 CCCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000210211 [0,0,0,0,0,2|1,0,0]=3 2594 B21R2.21313 CNCCCC(NCc1ccccc1)c2cccnc2 269862a_100015324214_100020654510 [0,0,0,0,0,2|2,0,0]=4 2595 B21R2.21313 COCCNC(CCc1ccccc1)c2ccccc2 2230a_100000741669_100011201679 [0,0,0,0,0,2|2,0,0]=4 2596 B21R2.21313 COCCNC(CCc1ccccc1)c2ccccc2 269862a_100000209980_100000685657 [0,0,0,0,0,2|2,0,0]=4 2597 B21R2.21313 COCCNC(CCc1ccccc1)c2ccccc2 34a_100000741669_100011201679 [0,0,0,0,0,2|2,0,0]=4 2598 B21R2.21313 COCCNC(COc1ccccc1)c2ccccc2 269862a_100000209980_100000150584 [0,0,0,0,0,2|2,0,0]=4 2599 B21R2.21313 COCCNC(COc1ccccc1)c2ccccc2 270004a_100000209980_100000150584 [0,0,0,0,0,2|2,0,0]=4 2600 B21R2.21313 COCCOC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_100011201679 [0,0,0,0,0,2|1,0,0]=3 2601 B21R2.21313 COCCOC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_100000233755 [0,0,0,0,0,2|1,0,0]=3 2602 B21R2.21313 COCCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100011201679 [0,0,0,0,0,2|1,0,0]=3 2603 B21R2.21313 COCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000233755 [0,0,0,0,0,2|1,0,0]=3 2604 B21R2.21313 COCCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100011201679 [0,0,0,0,0,2|1,0,0]=3 2605 B21R2.21313 COCCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000233755 [0,0,0,0,0,2|1,0,0]=3 2606 B21R2.21313 COCCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100011201679 [0,0,0,0,0,2|1,0,0]=3 2607 B21R2.21313 COCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000233755 [0,0,0,0,0,2|1,0,0]=3 2608 B21R2.21313 CSCCNC(CCc1ccccc1)c2ccccc2 2230a_100000741669_100000751147 [0,0,0,0,0,2|2,0,0]=4 2609 B21R2.21313 CSCCNC(CCc1ccccc1)c2ccccc2 269862a_100020590264_100000685657 [0,0,0,0,0,2|2,0,0]=4 2610 B21R2.21313 CSCCNC(CCc1ccccc1)c2ccccc2 34a_100000741669_100000212216 [0,0,0,0,0,2|2,0,0]=4 2611 B21R2.21313 CSCCNC(COc1ccccc1)c2ccccc2 269862a_100020590264_100000150584 [0,0,0,0,0,2|2,0,0]=4 2612 B21R2.21313 CSCCNC(COc1ccccc1)c2ccccc2 270004a_100020590264_100000150584 [0,0,0,0,0,2|2,0,0]=4 2613 B21R2.21313 CSCCOC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_100000212216 [0,0,0,0,0,2|1,0,0]=3 2614 B21R2.21313 CSCCOC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_100000212216 [0,0,0,0,0,2|1,0,0]=3 2615 B21R2.21313 CSCCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100000212216 [0,0,0,0,0,2|1,0,0]=3 2616 B21R2.21313 CSCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000212216 [0,0,0,0,0,2|1,0,0]=3 2617 B21R2.21313 CSCCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100000212216 [0,0,0,0,0,2|1,0,0]=3 2618 B21R2.21313 CSCCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000212216 [0,0,0,0,0,2|1,0,0]=3 2619 B21R2.21313 CSCCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000212216 [0,0,0,0,0,2|1,0,0]=3 2620 B21R2.21313 CSCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000212216 [0,0,0,0,0,2|1,0,0]=3 2621 B21R2.21313 FCCCOC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_100011934791 [0,0,0,0,0,2|2,0,0]=4 2622 B21R2.21313 FCCCOC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_100011934791 [0,0,0,0,0,2|2,0,0]=4 2623 B21R2.21313 FCCCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100011934791 [0,0,0,0,0,2|2,0,0]=4 2624 B21R2.21313 FCCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100011934791 [0,0,0,0,0,2|2,0,0]=4 2625 B21R2.21313 FCCCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100011934791 [0,0,0,0,0,2|2,0,0]=4 2626 B21R2.21313 FCCCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100011934791 [0,0,0,0,0,2|2,0,0]=4 2627 B21R2.21313 FCCCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100011934791 [0,0,0,0,0,2|2,0,0]=4 2628 B21R2.21313 FCCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100011934791 [0,0,0,0,0,2|2,0,0]=4 2629 B21R2.21313 N#CCCOC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_100000184422 [0,0,0,0,0,2|2,0,0]=4 2630 B21R2.21313 N#CCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100000184422 [0,0,0,0,0,2|2,0,0]=4 2631 B21R2.21313 N#CCCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000184422 [0,0,0,0,0,2|2,0,0]=4 2632 B21R2.21313 N#CCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000184422 [0,0,0,0,0,2|2,0,0]=4 2633 B21R2.21313 OCCCOC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_100000230001 [0,0,0,0,0,2|2,0,0]=4 2634 B21R2.21313 OCCCOC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_100011215043 [0,0,0,0,0,2|2,0,0]=4 2635 B21R2.21313 OCCCOC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_100000230001 [0,0,0,0,0,2|2,0,0]=4 2636 B21R2.21313 OCCCOC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_100011215043 [0,0,0,0,0,2|2,0,0]=4 2637 B21R2.21313 OCCCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100000230001 [0,0,0,0,0,2|2,0,0]=4 2638 B21R2.21313 OCCCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100011215043 [0,0,0,0,0,2|2,0,0]=4 2639 B21R2.21313 OCCCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000230001 [0,0,0,0,0,2|2,0,0]=4 2640 B21R2.21313 OCCCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100011215043 [0,0,0,0,0,2|2,0,0]=4