0 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748629 [0,0,0,0,0,0|2,0,1]=3 3 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000748629 [0,0,0,0,0,0|2,0,1]=3 6 B19R2.13577 C=C(F)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009893438 [0,0,0,0,0,0|3,0,1]=4 7 B19R2.13577 C=C(F)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000042424 [0,0,0,0,0,0|3,0,1]=4 8 B19R2.13577 CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000070787_100009813428 [0,0,0,0,0,0|3,0,0]=3 9 B19R2.13577 CC(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B19R2.13577 CC(=O)CC[S+](c1ccccc1)c2ccccc2 1458a_100000070787_100010140906 [0,0,0,0,0,0|4,0,0]=4 11 B19R2.13577 CC(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 1626a_100000739227_100015343762 [0,0,0,0,0,0|4,0,0]=4 13 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 240690a_100000739227_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 527a_100000739227_100103153847 [0,0,0,0,0,0|4,0,0]=4 15 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210760 [0,0,0,0,0,0|3,0,0]=3 16 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000210953_100000211591 [0,0,0,0,0,0|3,0,0]=3 17 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000210432 [0,0,0,0,0,0|3,0,0]=3 18 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000210953_100000210122 [0,0,0,0,0,0|3,0,0]=3 19 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210624 [0,0,0,0,0,0|3,0,0]=3 20 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210760 [0,0,0,0,0,0|2,0,0]=2 21 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000210953_100000210380 [0,0,0,0,0,0|2,0,0]=2 22 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000210432 [0,0,0,0,0,0|2,0,0]=2 23 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210760 [0,0,0,0,0,0|4,0,0]=4 24 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 270004a_100000210953_100000735413 [0,0,0,0,0,0|4,0,0]=4 25 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 270004a_100011232609_100000210432 [0,0,0,0,0,0|4,0,0]=4 26 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210760 [0,0,0,0,0,0|4,0,0]=4 27 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccncc2 270004a_100025760769_100000210432 [0,0,0,0,0,0|4,0,0]=4 28 B19R2.13577 CC(C)CNC(c1ccccn1)c2ccccn2 270004a_100009954364_100000210432 [0,0,0,0,0,0|3,0,0]=3 29 B19R2.13577 CC(C)CNC(c1cccnc1)c2ccccn2 270004a_100000210953_100011376182 [0,0,0,0,0,0|3,0,0]=3 30 B19R2.13577 CC(C)CNC(c1cccnc1)c2cnccn2 270004a_100000210953_100000732570 [0,0,0,0,0,0|4,0,0]=4 31 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000210624 [0,0,0,0,0,0|3,0,0]=3 32 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000210760 [0,0,0,0,0,0|3,0,0]=3 33 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000210760 [0,0,0,0,0,0|2,0,0]=2 34 B19R2.13577 CC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210206 [0,0,0,0,0,0|3,0,0]=3 35 B19R2.13577 CC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210206 [0,0,0,0,0,0|3,0,0]=3 36 B19R2.13577 CC(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210206 [0,0,0,0,0,0|3,0,0]=3 37 B19R2.13577 CC(C)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210206 [0,0,0,0,0,0|3,0,0]=3 38 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011218427 [0,0,0,0,0,0|4,0,0]=4 39 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000210904_100000211591 [0,0,0,0,0,0|4,0,0]=4 40 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 270004a_100000210904_100000210122 [0,0,0,0,0,0|4,0,0]=4 41 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011218427 [0,0,0,0,0,0|4,0,0]=4 42 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218427 [0,0,0,0,0,0|3,0,0]=3 43 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccn2 270004a_100000210904_100000210380 [0,0,0,0,0,0|3,0,0]=3 44 B19R2.13577 CC(O)CNC(c1cccnc1)c2ccccn2 270004a_100000210904_100011376182 [0,0,0,0,0,0|4,0,0]=4 45 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011218427 [0,0,0,0,0,0|4,0,0]=4 46 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100011218427 [0,0,0,0,0,0|4,0,0]=4 47 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011218427 [0,0,0,0,0,0|3,0,0]=3 48 B19R2.13577 CC(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011218427 [0,0,0,0,0,0|4,0,0]=4 49 B19R2.13577 CC(O)CSC(c1ccccc1)c2ccccc2 62a_100011218427_100011216954 [0,0,0,0,0,0|4,0,0]=4 50 B19R2.13577 CN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100102631434_100000050448 [0,0,0,0,0,0|1,0,2]=3 51 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200000210301 [0,0,0,0,0,0|1,0,0]=1 52 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100102631434_100009813428 [0,0,0,0,0,0|1,0,0]=1 53 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200000210301 [0,0,0,0,0,0|1,0,0]=1 54 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100102631434_100009813428 [0,0,0,0,0,0|1,0,0]=1 55 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_200000210301 [0,0,0,0,0,0|1,0,0]=1 56 B19R2.13577 CN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100102631434_100010140906 [0,0,0,0,0,0|2,0,0]=2 57 B19R2.13577 CN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100102631434_100010140906 [0,0,0,0,0,0|2,0,0]=2 58 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200025704644 [0,0,0,0,0,0|1,0,0]=1 59 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200025704644 [0,0,0,0,0,0|1,0,0]=1 60 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 34a_100025726140_200025704644 [0,0,0,0,0,0|1,0,0]=1 61 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009817552 [0,0,0,0,0,0|4,0,0]=4 62 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009817552 [0,0,0,0,0,0|4,0,0]=4 63 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009817552 [0,0,0,0,0,0|3,0,0]=3 64 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009817552 [0,0,0,0,0,0|4,0,0]=4 65 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009817552 [0,0,0,0,0,0|4,0,0]=4 66 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009817552 [0,0,0,0,0,0|3,0,0]=3 67 B19R2.13577 C[C@@H](O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100009817552 [0,0,0,0,0,0|4,0,0]=4 68 B19R2.13577 C[C@@H](O)CSC(c1ccccc1)c2ccccc2 62a_100009817552_100011216954 [0,0,0,0,0,0|4,0,0]=4 69 B19R2.13577 FC(F)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011934356 [0,0,0,0,0,0|4,0,0]=4 70 B19R2.13577 FC(F)CNC(c1ccccc1)c2ccccn2 270004a_100000765723_100000210380 [0,0,0,0,0,0|4,0,0]=4 71 B19R2.13577 FC(F)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011934356 [0,0,0,0,0,0|4,0,0]=4 72 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000747473 [0,0,0,0,0,0|4,0,0]=4 73 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000187820 [0,0,0,0,0,0|4,0,0]=4 74 B19R2.13577 [13CH3]C(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B19R2.13577 [13CH3]C(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B18R2.40 C#CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000038162 [1,0,0,0,0,0|2,0,1]=4 77 B18R2.40 C#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000038162 [1,0,0,0,0,0|2,0,1]=4 78 B18R2.40 C=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210623 [1,0,0,0,0,0|2,0,1]=4 79 B18R2.40 C=CCNC(c1ccccc1)c2ccccn2 270004a_100020586998_100000210380 [1,0,0,0,0,0|2,0,1]=4 80 B18R2.40 C=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100015514636 [1,0,0,0,0,0|2,0,1]=4 81 B18R2.40 CCCCN(c1ccccc1)c2cccnn2 27a_100000211623_100016991348 [1,0,0,0,0,0|3,0,0]=4 82 B18R2.40 CCCCN(c1ccccc1)c2ccncn2 27a_100000211623_100000703185 [1,0,0,0,0,0|3,0,0]=4 83 B18R2.40 CCCCN(c1ccccc1)c2cnccn2 27a_100000211623_100000211759 [1,0,0,0,0,0|3,0,0]=4 84 B18R2.40 CCCCN(c1ccccc1)c2ncccn2 27a_100000211623_100000211032 [1,0,0,0,0,0|3,0,0]=4 85 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210303 [1,0,0,0,0,0|3,0,0]=4 86 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 270004a_100020643023_100000210122 [1,0,0,0,0,0|3,0,0]=4 87 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210303 [1,0,0,0,0,0|3,0,0]=4 88 B18R2.40 CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210303 [1,0,0,0,0,0|2,0,0]=3 89 B18R2.40 CCCNC(c1ccccc1)c2ccccn2 270004a_100020643023_100000210380 [1,0,0,0,0,0|2,0,0]=3 90 B18R2.40 CCCNC(c1cccnc1)c2ccccn2 270004a_100020643023_100011376182 [1,0,0,0,0,0|3,0,0]=4 91 B18R2.40 CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210303 [1,0,0,0,0,0|3,0,0]=4 92 B18R2.40 CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210303 [1,0,0,0,0,0|3,0,0]=4 93 B18R2.40 CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210303 [1,0,0,0,0,0|2,0,0]=3 94 B18R2.40 CCCSC(c1ccccc1)c2ccccc2 62a_100000210303_100011216954 [1,0,0,0,0,0|3,0,0]=4 95 B18R2.40 CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210303 [1,0,0,0,0,0|3,0,0]=4 96 B18R2.40 CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210202 [1,0,0,0,0,0|3,0,0]=4 97 B18R2.40 CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210202 [1,0,0,0,0,0|3,0,0]=4 98 B18R2.40 CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210202 [1,0,0,0,0,0|3,0,0]=4 99 B18R2.40 CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210202 [1,0,0,0,0,0|3,0,0]=4 100 B18R2.40 CNCC=C(c1ccccc1)c2ccccc2 270004a_106832991635_100000050448 [1,0,0,0,0,0|1,0,2]=4 101 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200000210301 [1,0,0,0,0,0|1,0,0]=2 102 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 2230a_106832991635_100009813428 [1,0,0,0,0,0|1,0,0]=2 103 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_200000210301 [1,0,0,0,0,0|1,0,0]=2 104 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 34a_100102657272_100009813428 [1,0,0,0,0,0|1,0,0]=2 105 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 7a_106832991635_100009813428 [1,0,0,0,0,0|1,0,0]=2 106 B18R2.40 CNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B18R2.40 CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_200000210301 [1,0,0,0,0,0|2,0,0]=3 108 B18R2.40 CNCC[S+](c1ccccc1)c2ccccc2 2230a_106832991635_100010140906 [1,0,0,0,0,0|2,0,0]=3 109 B18R2.40 CNCC[S+](c1ccccc1)c2ccccc2 7a_106832991635_100010140906 [1,0,0,0,0,0|2,0,0]=3 110 B18R2.40 COCCC(c1ccccc1)c2ccccc2 34a_100000032380_200000210301 [1,0,0,0,0,0|2,0,0]=3 111 B18R2.40 COCCC(c1ccccc1)c2ccccc2 34a_100138415774_100009813428 [1,0,0,0,0,0|2,0,0]=3 112 B18R2.40 COCCC(c1ccccc1)c2ccccc2 7a_100000032380_200000210301 [1,0,0,0,0,0|2,0,0]=3 113 B18R2.40 COCCN(c1ccccc1)c2ccccc2 34a_100010001939_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B18R2.40 COCCN(c1ccccc1)c2ccccc2 7a_100010001939_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B18R2.40 COCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000766300 [1,0,0,0,0,0|3,0,0]=4 116 B18R2.40 COCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000766300 [1,0,0,0,0,0|2,0,0]=3 117 B18R2.40 COCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000766300 [1,0,0,0,0,0|3,0,0]=4 118 B18R2.40 COCSC(c1ccccc1)c2ccccc2 62a_100000766300_100011216954 [1,0,0,0,0,0|3,0,0]=4 119 B18R2.40 CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_200000210301 [1,0,0,0,0,0|2,0,0]=3 120 B18R2.40 CSCCC(c1ccccc1)c2ccccc2 62a_200000210301_100009813428 [1,0,0,0,0,0|2,0,0]=3 121 B18R2.40 CSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B18R2.40 CSCC[S+](c1ccccc1)c2ccccc2 62a_200000210301_100010140906 [1,0,0,0,0,0|3,0,0]=4 123 B18R2.40 CSCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011218213 [1,0,0,0,0,0|3,0,0]=4 124 B18R2.40 CSCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011218213 [1,0,0,0,0,0|3,0,0]=4 125 B18R2.40 CSCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218213 [1,0,0,0,0,0|2,0,0]=3 126 B18R2.40 CSCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011218213 [1,0,0,0,0,0|3,0,0]=4 127 B18R2.40 CSCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011218213 [1,0,0,0,0,0|3,0,0]=4 128 B18R2.40 CSCSC(c1ccccc1)c2ccccc2 62a_100011218213_100011216954 [1,0,0,0,0,0|3,0,0]=4 129 B18R2.40 FCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011217306 [1,0,0,0,0,0|3,0,0]=4 130 B18R2.40 FCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011217306 [1,0,0,0,0,0|3,0,0]=4 131 B18R2.40 N#CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011215382 [1,0,0,0,0,0|3,0,0]=4 132 B18R2.40 N#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215382 [1,0,0,0,0,0|3,0,0]=4 133 B18R2.40 O=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_200015260668 [1,0,0,0,0,0|3,0,0]=4 134 B18R2.40 O=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_200015260668 [1,0,0,0,0,0|3,0,0]=4 135 B18R2.40 OCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000211926 [1,0,0,0,0,0|3,0,0]=4 136 B18R2.40 OCCNC(c1ccccc1)c2ccccn2 270004a_100000210304_100000210380 [1,0,0,0,0,0|3,0,0]=4 137 B18R2.40 OCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000211926 [1,0,0,0,0,0|3,0,0]=4 138 B18R2.40 [13CH3]NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200025704644 [1,0,0,0,0,0|1,0,0]=2 139 B18R2.40 [13CH3]NCCC(c1ccccc1)c2ccccc2 34a_100000272388_200025704644 [1,0,0,0,0,0|1,0,0]=2 140 B18R2.40 [13CH3]NCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200025704644 [1,0,0,0,0,0|2,0,0]=3 141 B18R2.40 [13CH3]NCCP(c1ccccc1)c2ccccc2 34a_107094377242_200025704644 [1,0,0,0,0,0|2,0,0]=3 142 B18R2.40 [13CH3]OCCC(c1ccccc1)c2ccccc2 34a_100000032380_200025704644 [1,0,0,0,0,0|2,0,0]=3 143 B18R2.40 [13CH3]OCCC(c1ccccc1)c2ccccc2 7a_100000032380_200025704644 [1,0,0,0,0,0|2,0,0]=3 144 B18R2.40 [13CH3]OCCN(c1ccccc1)c2ccccc2 34a_100010001939_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B18R2.40 [13CH3]OCCN(c1ccccc1)c2ccccc2 7a_100010001939_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B18R2.40 [13CH3]SCCC(c1ccccc1)c2ccccc2 62a_100009813428_200025704644 [1,0,0,0,0,0|2,0,0]=3 147 B18R2.40 [13CH3]SCCC(c1ccccc1)c2ccccc2 62a_200025704644_100009813428 [1,0,0,0,0,0|2,0,0]=3 148 B18R2.40 [13CH3]SCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_200025704644 [1,0,0,0,0,0|3,0,0]=4 149 B18R2.40 [13CH3]SCC[S+](c1ccccc1)c2ccccc2 62a_200025704644_100010140906 [1,0,0,0,0,0|3,0,0]=4 150 B20R2.18148 CC(CO)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100012180447 [0,1,0,0,0,0|3,0,0]=4 151 B20R2.18148 CC(CO)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100012180447 [0,1,0,0,0,0|3,0,0]=4 152 B20R2.18148 CC(CO)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100012180447 [0,1,0,0,0,0|3,0,0]=4 153 B20R2.18148 CC(CO)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100012180447 [0,1,0,0,0,0|3,0,0]=4 154 B20R2.18148 CCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000210414_100009813428 [0,1,0,0,0,0|3,0,0]=4 155 B20R2.18148 CCC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000747405 [0,1,0,0,0,0|3,0,0]=4 156 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748023 [0,1,0,0,0,0|3,0,0]=4 157 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100020588543_100000211591 [0,1,0,0,0,0|3,0,0]=4 158 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000243153 [0,1,0,0,0,0|3,0,0]=4 159 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100020588543_100000210122 [0,1,0,0,0,0|3,0,0]=4 160 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748023 [0,1,0,0,0,0|3,0,0]=4 161 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748023 [0,1,0,0,0,0|2,0,0]=3 162 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000243153 [0,1,0,0,0,0|2,0,0]=3 163 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 270004a_100020588543_100000210380 [0,1,0,0,0,0|2,0,0]=3 164 B20R2.18148 CCC(C)CNC(c1ccccn1)c2ccccn2 270004a_100009954364_100000243153 [0,1,0,0,0,0|3,0,0]=4 165 B20R2.18148 CCC(C)CNC(c1cccnc1)c2ccccn2 270004a_100020588543_100011376182 [0,1,0,0,0,0|3,0,0]=4 166 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000748023 [0,1,0,0,0,0|3,0,0]=4 167 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000748023 [0,1,0,0,0,0|3,0,0]=4 168 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000748023 [0,1,0,0,0,0|2,0,0]=3 169 B20R2.18148 CCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000758301 [0,1,0,0,0,0|3,0,0]=4 170 B20R2.18148 CCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100011215416 [0,1,0,0,0,0|3,0,0]=4 171 B20R2.18148 CCC(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100011215416 [0,1,0,0,0,0|3,0,0]=4 172 B20R2.18148 CCC(C)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100000758301 [0,1,0,0,0,0|3,0,0]=4 173 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218378 [0,1,0,0,0,0|3,0,0]=4 174 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccn2 270004a_100011218483_100000210380 [0,1,0,0,0,0|3,0,0]=4 175 B20R2.18148 CCC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011218378 [0,1,0,0,0,0|3,0,0]=4 176 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225621_100009813428 [0,1,0,0,0,0|1,0,0]=2 177 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210202 [0,1,0,0,0,0|1,0,0]=2 178 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000225621_100009813428 [0,1,0,0,0,0|1,0,0]=2 179 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000204670 [0,1,0,0,0,0|1,0,0]=2 180 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210202 [0,1,0,0,0,0|1,0,0]=2 181 B20R2.18148 CCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000225621_100010140906 [0,1,0,0,0,0|2,0,0]=3 182 B20R2.18148 CCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000225621_100010140906 [0,1,0,0,0,0|2,0,0]=3 183 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009816398 [0,1,0,0,0,0|3,0,0]=4 184 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009816398 [0,1,0,0,0,0|3,0,0]=4 185 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009816398 [0,1,0,0,0,0|2,0,0]=3 186 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009816398 [0,1,0,0,0,0|3,0,0]=4 187 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009816398 [0,1,0,0,0,0|3,0,0]=4 188 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 7a_100009816381_100011216954 [0,1,0,0,0,0|3,0,0]=4 189 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009816398 [0,1,0,0,0,0|2,0,0]=3 190 B20R2.18148 CN(CF)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100015361967 [0,1,0,0,0,0|1,0,0]=2 191 B20R2.18148 CN(CF)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100015361967 [0,1,0,0,0,0|1,0,0]=2 192 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000183359 [0,1,0,0,0,0|3,0,0]=4 193 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 270004a_100000693194_100000210380 [0,1,0,0,0,0|3,0,0]=4 194 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000183359 [0,1,0,0,0,0|3,0,0]=4 195 B20R2.18148 COC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000747449 [0,1,0,0,0,0|3,0,0]=4 196 B20R2.18148 COC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000747449 [0,1,0,0,0,0|3,0,0]=4 197 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccc2 2230a_100020591295_100000211591 [0,1,0,0,0,0|3,0,0]=4 198 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccc2 270004a_100020591295_100000210122 [0,1,0,0,0,0|3,0,0]=4 199 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccn2 270004a_100020591295_100000210380 [0,1,0,0,0,0|2,0,0]=3 200 B20R2.18148 CO[C@H](C)CNC(c1cccnc1)c2ccccn2 270004a_100020591295_100011376182 [0,1,0,0,0,0|3,0,0]=4 201 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000059175 [0,1,0,0,0,0|3,0,0]=4 202 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000059175 [0,1,0,0,0,0|3,0,0]=4 203 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000059175 [0,1,0,0,0,0|2,0,0]=3 204 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000059175 [0,1,0,0,0,0|3,0,0]=4 205 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000059175 [0,1,0,0,0,0|3,0,0]=4 206 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000059175 [0,1,0,0,0,0|2,0,0]=3 207 B20R2.18148 C[C@@H](CO)CSC(c1ccccc1)c2ccccc2 62a_100000059175_100011216954 [0,1,0,0,0,0|3,0,0]=4 208 B20R2.18148 C[C@@H](CO)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000059175 [0,1,0,0,0,0|3,0,0]=4 209 B20R2.18148 O=C(CO)CCC(c1ccccc1)c2ccccc2 1458a_100000210174_100009813428 [0,1,0,0,0,0|3,0,0]=4 210 B20R2.18148 OCC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011219619 [0,1,0,0,0,0|3,0,0]=4 211 B20R2.18148 OCC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011219619 [0,1,0,0,0,0|3,0,0]=4 212 B20R2.18148 OC[C@H](F)CNC(c1ccccc1)c2ccccn2 270004a_100015665980_100000210380 [0,1,0,0,0,0|3,0,0]=4 213 B20R2.18148 OC[C@H](O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009815848 [0,1,0,0,0,0|3,0,0]=4 214 B20R2.18148 OC[C@H](O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009815848 [0,1,0,0,0,0|3,0,0]=4 215 B20R2.18148 O[C@@H](CF)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100015614560 [0,1,0,0,0,0|3,0,0]=4 216 B20R2.18148 O[C@@H](CF)COC(c1ccccc1)c2ccccn2 7a_100000180852_100015614560 [0,1,0,0,0,0|3,0,0]=4 217 B20R2.29400 C=C(C)C(C)NC(c1ccccc1)c2ccccn2 269862a_100000689936_100011216138 [0,1,0,0,0,0|2,0,1]=4 218 B20R2.29400 CC(=O)C(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100009814033 [0,1,0,0,0,0|3,0,0]=4 219 B20R2.29400 CC(=O)C(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000179758 [0,1,0,0,0,0|3,0,0]=4 220 B20R2.29400 CC(C)C(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210206 [0,1,0,0,0,0|2,0,1]=4 221 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 11a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 222 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 1626a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 223 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 240690a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 224 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 527a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 225 B20R2.29400 CC(C)C(C)NC(c1ccccc1)c2ccccc2 2230a_100000211541_100000211591 [0,1,0,0,0,0|3,0,0]=4 226 B20R2.29400 CC(C)C(C)NC(c1ccccc1)c2ccccc2 270004a_100000211541_100000210122 [0,1,0,0,0,0|3,0,0]=4 227 B20R2.29400 CC(C)C(C)NC(c1ccccc1)c2ccccn2 270004a_100000211541_100000210380 [0,1,0,0,0,0|2,0,0]=3 228 B20R2.29400 CC(C)C(C)NC(c1cccnc1)c2ccccn2 270004a_100000211541_100011376182 [0,1,0,0,0,0|3,0,0]=4 229 B20R2.29400 CC(C)C(C)OC(c1ccccc1)c2ccccc2 7a_100000748068_100011216954 [0,1,0,0,0,0|3,0,0]=4 230 B20R2.29400 CC(CC(c1ccccc1)c2ccccc2)N(C)C 270004a_100102631434_200000011111 [0,1,0,0,0,0|1,0,0]=2 231 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 11a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 232 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 1626a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 233 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 234 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 527a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 235 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 11a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 236 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 1626a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 237 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 240690a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 238 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 527a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 239 B20R2.72040 CC(C)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000210953_100000688346 [0,1,0,0,0,0|2,0,0]=3 240 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000210760 [0,1,0,0,0,0|3,0,0]=4 241 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 270004a_100000210953_100011267660 [0,1,0,0,0,0|3,0,0]=4 242 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 270004a_100011212009_100000210432 [0,1,0,0,0,0|3,0,0]=4 243 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000210624 [0,1,0,0,0,0|3,0,0]=4 244 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000210760 [0,1,0,0,0,0|3,0,0]=4 245 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000210953_100011215489 [0,1,0,0,0,0|3,0,0]=4 246 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000741085_100000210432 [0,1,0,0,0,0|3,0,0]=4 247 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000210624 [0,1,0,0,0,0|3,0,0]=4 248 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210760 [0,1,0,0,0,0|3,0,0]=4 249 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 270004a_100000210953_200011219850 [0,1,0,0,0,0|3,0,0]=4 250 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 270004a_100000686443_100000210432 [0,1,0,0,0,0|3,0,0]=4 251 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000210624 [0,1,0,0,0,0|3,0,0]=4 252 B20R2.72040 CC(C)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000210624 [0,1,0,0,0,0|3,0,0]=4 253 B20R2.72040 CC(C)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000210760 [0,1,0,0,0,0|3,0,0]=4 254 B20R2.72040 CC(O)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000210904_100000688346 [0,1,0,0,0,0|3,0,0]=4 255 B20R2.72040 Cc1cccc(c1)C(NCC(C)C)c2ccccc2 270004a_100000210953_100011217825 [0,1,0,0,0,0|3,0,0]=4 256 B20R2.77823 C=C(C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000748629 [0,1,0,0,0,0|2,0,1]=4 257 B20R2.77823 CC(C)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000210760 [0,1,0,0,0,0|3,0,0]=4 258 B20R2.77823 CC(C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210760 [0,1,0,0,0,0|2,0,0]=3 259 B20R2.77823 CC(C)NCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000210206 [0,1,0,0,0,0|3,0,0]=4 260 B20R2.77823 CC(O)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100011218427 [0,1,0,0,0,0|3,0,0]=4 261 B20R2.77823 C[C@@H](O)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100009817552 [0,1,0,0,0,0|3,0,0]=4 262 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000210760 [0,1,0,0,0,0|3,0,0]=4 263 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 270004a_100000210953_100000198044 [0,1,0,0,0,0|3,0,0]=4 264 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 270004a_100011211563_100000210432 [0,1,0,0,0,0|3,0,0]=4 265 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000210624 [0,1,0,0,0,0|3,0,0]=4 266 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Cl 270004a_100000210953_100011215288 [0,1,0,0,0,0|3,0,0]=4 267 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2F 270004a_100000210953_100011217773 [0,1,0,0,0,0|3,0,0]=4 268 B20R2.140971 CC(C)CNC(c1ccccn1)c2ccccc2Cl 270004a_100000210953_100011400554 [0,1,0,0,0,0|2,0,0]=3 269 B20R2.140971 CC(C)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000210624 [0,1,0,0,0,0|3,0,0]=4 270 B20R2.140971 CC(C)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000210760 [0,1,0,0,0,0|3,0,0]=4 271 B20R2.140971 CC(O)CNC(c1ccccn1)c2ccccc2Cl 270004a_100000210904_100011400554 [0,1,0,0,0,0|3,0,0]=4 272 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 2230a_100000210953_100000230135 [0,1,0,0,0,0|3,0,0]=4 273 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 2230a_100000222801_100000210760 [0,1,0,0,0,0|3,0,0]=4 274 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 270004a_100000210953_100000735561 [0,1,0,0,0,0|3,0,0]=4 275 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 270004a_100000222801_100000210432 [0,1,0,0,0,0|3,0,0]=4 276 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 34a_100000222801_100000210624 [0,1,0,0,0,0|3,0,0]=4 277 B20R2.140971 Cc1ccccc1C(OCC(C)C)c2ccccc2 34a_100000212071_100000210624 [0,1,0,0,0,0|3,0,0]=4 278 B20R2.140971 Cc1ccccc1C(OCC(C)C)c2ccccc2 7a_100000212071_100000210760 [0,1,0,0,0,0|3,0,0]=4 279 B20R2.174637 C=C(C)CN(C)C(c1ccccc1)c2ccccn2 270004a_100000225649_100000210380 [0,1,0,0,0,0|2,0,1]=4 280 B20R2.174637 CC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210554_100011216954 [0,1,0,0,0,0|2,0,1]=4 281 B20R2.174637 CC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210624 [0,1,0,0,0,0|2,0,1]=4 282 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100000747067_100000211591 [0,1,0,0,0,0|3,0,0]=4 283 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210760 [0,1,0,0,0,0|3,0,0]=4 284 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100000747067_100000211591 [0,1,0,0,0,0|3,0,0]=4 285 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210624 [0,1,0,0,0,0|3,0,0]=4 286 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 270004a_100000747067_100000210122 [0,1,0,0,0,0|3,0,0]=4 287 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 270004a_100103148541_100000210432 [0,1,0,0,0,0|3,0,0]=4 288 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccn2 270004a_100000747067_100000210380 [0,1,0,0,0,0|2,0,0]=3 289 B20R2.174637 CC(C)CN(C)C(c1cccnc1)c2ccccn2 270004a_100000747067_100011376182 [0,1,0,0,0,0|3,0,0]=4 290 B20R2.174637 CC(O)CN(C)C(c1ccccc1)c2ccccn2 270004a_100000227577_100000210380 [0,1,0,0,0,0|3,0,0]=4 291 B20R2.174637 CN(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000750896_100011216954 [0,1,0,0,0,0|1,0,1]=3 292 B20R2.174637 CN(C)CC(=O)N(c1ccccc1)c2ccccc2 2230a_100102631434_200015198546 [0,1,0,0,0,0|2,0,1]=4 293 B20R2.174637 CN(C)CC(=O)N(c1ccccc1)c2ccccc2 269982a_100102631434_200015198546 [0,1,0,0,0,0|2,0,1]=4 294 B20R2.174637 C[S+](C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_200159257847_100011216954 [0,1,0,0,0,0|2,0,1]=4 295 B20R2.240825 C=C(C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000748629 [0,1,0,0,0,0|2,0,1]=4 296 B20R2.240825 CC(C)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000210953_200010179208 [0,1,0,0,0,0|2,0,0]=3 297 B20R2.240825 CC(C)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000210953_200010188304 [0,1,0,0,0,0|2,0,0]=3 298 B20R2.240825 CC(C)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000210953_100000753647 [0,1,0,0,0,0|2,0,0]=3 299 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000210760 [0,1,0,0,0,0|3,0,0]=4 300 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000210953_100000718703 [0,1,0,0,0,0|3,0,0]=4 301 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000745999_100000210432 [0,1,0,0,0,0|3,0,0]=4 302 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000210624 [0,1,0,0,0,0|3,0,0]=4 303 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000210953_100000211669 [0,1,0,0,0,0|3,0,0]=4 304 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000210760 [0,1,0,0,0,0|3,0,0]=4 305 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000210953_100000211064 [0,1,0,0,0,0|3,0,0]=4 306 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000737946_100000210432 [0,1,0,0,0,0|3,0,0]=4 307 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000210624 [0,1,0,0,0,0|3,0,0]=4 308 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210760 [0,1,0,0,0,0|3,0,0]=4 309 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100000210953_100000210425 [0,1,0,0,0,0|3,0,0]=4 310 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100000737529_100000210432 [0,1,0,0,0,0|3,0,0]=4 311 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000210624 [0,1,0,0,0,0|3,0,0]=4 312 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)O 270004a_100000198503_100000210432 [0,1,0,0,0,0|3,0,0]=4 313 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000210624 [0,1,0,0,0,0|3,0,0]=4 314 B20R2.240825 CC(C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210624 [0,1,0,0,0,0|2,0,0]=3 315 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000210624 [0,1,0,0,0,0|3,0,0]=4 316 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000210760 [0,1,0,0,0,0|3,0,0]=4 317 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210624 [0,1,0,0,0,0|3,0,0]=4 318 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210760 [0,1,0,0,0,0|3,0,0]=4 319 B20R2.240825 CC(O)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000210904_200010179208 [0,1,0,0,0,0|3,0,0]=4 320 B20R2.240825 CC(O)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000210904_200010188304 [0,1,0,0,0,0|3,0,0]=4 321 B20R2.240825 CC(O)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000210904_100000753647 [0,1,0,0,0,0|3,0,0]=4 322 B20R2.240825 CC(O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011218427 [0,1,0,0,0,0|3,0,0]=4 323 B20R2.240825 CC(O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100011218427_200010188304 [0,1,0,0,0,0|3,0,0]=4 324 B20R2.240825 CC(O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100011218427 [0,1,0,0,0,0|3,0,0]=4 325 B20R2.240825 C[C@@H](O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100009817552 [0,1,0,0,0,0|3,0,0]=4 326 B20R2.240825 C[C@@H](O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100009817552_200010188304 [0,1,0,0,0,0|3,0,0]=4 327 B20R2.240825 C[C@@H](O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100009817552 [0,1,0,0,0,0|3,0,0]=4 328 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 2230a_100000736602_100000210760 [0,1,0,0,0,0|3,0,0]=4 329 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 270004a_100000210953_100000210966 [0,1,0,0,0,0|3,0,0]=4 330 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 270004a_100000736602_100000210432 [0,1,0,0,0,0|3,0,0]=4 331 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 34a_100000736602_100000210624 [0,1,0,0,0,0|3,0,0]=4 332 B20R2.240825 Cc1ccc(cc1)C(OCC(C)C)c2ccccc2 34a_100000212064_100000210624 [0,1,0,0,0,0|3,0,0]=4 333 B20R2.240825 Cc1ccc(cc1)C(OCC(C)C)c2ccccc2 7a_100000212064_100000210760 [0,1,0,0,0,0|3,0,0]=4 334 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 2230a_100000743828_100000211591 [0,1,0,0,0,0|3,0,0]=4 335 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100011204126 [0,1,0,0,0,0|3,0,0]=4 336 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 270004a_100000743828_100000210122 [0,1,0,0,0,0|3,0,0]=4 337 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011219605 [0,1,0,0,0,0|3,0,0]=4 338 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100011204126 [0,1,0,0,0,0|2,0,0]=3 339 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccn2 270004a_100000743828_100000210380 [0,1,0,0,0,0|2,0,0]=3 340 B20R2.2714554 CC(C)(C)CNC(c1ccccn1)c2ccccn2 270004a_100009954364_100011204126 [0,1,0,0,0,0|3,0,0]=4 341 B20R2.2714554 CC(C)(C)CNC(c1cccnc1)c2ccccn2 270004a_100000743828_100011376182 [0,1,0,0,0,0|3,0,0]=4 342 B20R2.2714554 CC(C)(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011219605 [0,1,0,0,0,0|3,0,0]=4 343 B20R2.2714554 CC(C)(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210625 [0,1,0,0,0,0|3,0,0]=4 344 B20R2.2714554 CC(C)(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210625 [0,1,0,0,0,0|3,0,0]=4 345 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccc2 2230a_100020643315_100000211591 [0,1,0,0,0,0|3,0,0]=4 346 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccc2 270004a_100020643315_100000210122 [0,1,0,0,0,0|3,0,0]=4 347 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011997219 [0,1,0,0,0,0|3,0,0]=4 348 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccn2 270004a_100020643315_100000210380 [0,1,0,0,0,0|2,0,0]=3 349 B20R2.2714554 CC(C)(F)CNC(c1cccnc1)c2ccccn2 270004a_100020643315_100011376182 [0,1,0,0,0,0|3,0,0]=4 350 B20R2.2714554 CC(C)(F)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011997219 [0,1,0,0,0,0|3,0,0]=4 351 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccc2 2230a_100000751335_100000211591 [0,1,0,0,0,0|3,0,0]=4 352 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccc2 270004a_100000751335_100000210122 [0,1,0,0,0,0|3,0,0]=4 353 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000764493 [0,1,0,0,0,0|3,0,0]=4 354 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccn2 270004a_100000751335_100000210380 [0,1,0,0,0,0|2,0,0]=3 355 B20R2.2714554 CC(C)(O)CNC(c1cccnc1)c2ccccn2 270004a_100000751335_100011376182 [0,1,0,0,0,0|3,0,0]=4 356 B20R2.2714554 CC(C)(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000764493 [0,1,0,0,0,0|3,0,0]=4 357 B20R2.2714554 CC(C)(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000764493 [0,1,0,0,0,0|3,0,0]=4 358 B20R2.2714554 CC(C)(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000764493 [0,1,0,0,0,0|2,0,0]=3 359 B20R2.2714554 CC(C)(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000764493 [0,1,0,0,0,0|3,0,0]=4 360 B20R2.2714554 CC(C)(O)CSC(c1ccccc1)c2ccccc2 62a_100000764493_100011216954 [0,1,0,0,0,0|3,0,0]=4 361 B20R2.2714554 CC(F)(F)CNC(c1ccccc1)c2ccccn2 270004a_100000731000_100000210380 [0,1,0,0,0,0|3,0,0]=4 362 B20R2.2714554 C[N+](C)(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_200000036245 [0,1,0,0,0,0|2,0,1]=4 363 B20R2.2714554 C[N+](C)(C)CSC(c1ccccc1)c2ccccc2 62a_200000036245_100011216954 [0,1,0,0,0,0|2,0,1]=4 364 B20R2.2714554 C[Si](C)(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000037933 [0,1,0,0,0,0|3,0,0]=4 365 B20R2.2714554 C[Si](C)(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000037933 [0,1,0,0,0,0|2,0,0]=3 366 B20R2.2714554 C[Si](C)(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000233785 [0,1,0,0,0,0|3,0,0]=4 367 B20R2.2714554 C[Si](C)(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000233785 [0,1,0,0,0,0|2,0,0]=3 368 B18R1.36714 C=CC=CC(=O)N(CCN(C)C)c1ccccc1 1626a_200000219566_100016291481 [0,0,1,0,0,0|2,0,0]=3 369 B18R1.36714 C=CC=CC(=O)N(CCN(C)C)c1ccccc1 22a_200000219566_100016291481 [0,0,1,0,0,0|2,0,0]=3 370 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccc3 2230a_100000702820_100000211591 [0,0,0,1,0,0|3,0,0]=4 371 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccc3 269982a_100000702820_100000211591 [0,0,0,1,0,0|3,0,0]=4 372 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccc3 270004a_100000702820_100000210122 [0,0,0,1,0,0|3,0,0]=4 373 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100000702820_100000210380 [0,0,0,1,0,0|2,0,0]=3 374 B20R3.8612 CC1CN(C1)C(c2cccnc2)c3ccccn3 270004a_100000702820_100011376182 [0,0,0,1,0,0|3,0,0]=4 375 B20R3.8612 FC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100000690557_100000210380 [0,0,0,1,0,0|3,0,0]=4 376 B20R3.30135 c1ccc(cc1)C(CNC2CC2)c3ccccc3 34a_100000739227_100000211595 [0,0,0,1,0,0|3,0,0]=4 377 B20R3.30135 c1ccc(cc1)C(COC2CC2)c3ccccc3 34a_100011215272_100000211595 [0,0,0,1,0,0|3,0,0]=4 378 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000162943_100000742324 [0,0,0,1,0,0|3,0,0]=4 379 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000735609_100000211591 [0,0,0,1,0,0|3,0,0]=4 380 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 269862a_100000162943_100000741477 [0,0,0,1,0,0|3,0,0]=4 381 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100000210122 [0,0,0,1,0,0|3,0,0]=4 382 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000162943_100000742324 [0,0,0,1,0,0|3,0,0]=4 383 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 2230a_100000689936_100000742324 [0,0,0,1,0,0|2,0,0]=3 384 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 269862a_100000689936_100000741477 [0,0,0,1,0,0|2,0,0]=3 385 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 270004a_100000735609_100000210380 [0,0,0,1,0,0|2,0,0]=3 386 B20R3.30135 c1ccc(cc1)C(NCC2CO2)c3ccccn3 2230a_100000689936_100011216344 [0,0,0,1,0,0|3,0,0]=4 387 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_100000211180_100000742324 [0,0,0,1,0,0|3,0,0]=4 388 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_100000211180_100000742324 [0,0,0,1,0,0|3,0,0]=4 389 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccn3 7a_100000180852_100000742324 [0,0,0,1,0,0|2,0,0]=3 390 B20R3.30135 c1ccc(cc1)C(OCC2CO2)c3ccccn3 7a_100000180852_102125554688 [0,0,0,1,0,0|3,0,0]=4 391 B20R3.30135 c1ccc(cc1)C(OCC2CS2)c3ccccn3 7a_100000180852_100000031435 [0,0,0,1,0,0|3,0,0]=4 392 B20R3.30135 c1ccc(cc1)C(OC[C@@H]2CO2)c3ccccn3 7a_100000180852_100000745022 [0,0,0,1,0,0|3,0,0]=4 393 B20R3.30135 c1ccc(cc1)C(SCC2CC2)c3ccccc3 62a_100000211591_100000742324 [0,0,0,1,0,0|3,0,0]=4 394 B20R3.30135 c1ccc(cc1)C(SCC2CC2)c3ccccc3 62a_100000756562_100011216954 [0,0,0,1,0,0|3,0,0]=4 395 B20R3.30135 c1ccc(nc1)C(NCC2CC2)c3ccccn3 269862a_100009954364_100000741477 [0,0,0,1,0,0|3,0,0]=4 396 B20R3.30135 c1ccc(nc1)C(NCC2CC2)c3cccnc3 270004a_100000735609_100011376182 [0,0,0,1,0,0|3,0,0]=4 397 B20R3.651490 CC(C)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210760 [0,0,0,1,0,0|3,0,0]=4 398 B20R3.651490 CC(C)CNC1c2ccccc2-c3c1cccc3 2230a_100000210953_100000211598 [0,0,0,1,0,0|3,0,0]=4 399 B20R3.651490 CC(C)CNC1c2ccccc2-c3c1cccc3 270004a_100000104097_100000210432 [0,0,0,1,0,0|3,0,0]=4 400 B20R3.651490 CC(C)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210760 [0,0,0,1,0,0|3,0,0]=4 401 B20R3.651490 CC(C)NCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210206 [0,0,0,1,0,0|3,0,0]=4 402 B20R3.651490 CC(C)NCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210206 [0,0,0,1,0,0|3,0,0]=4 403 B20R3.651490 CC(C)OCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210206 [0,0,0,1,0,0|3,0,0]=4 404 B20R3.651490 CC(C)OCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210206 [0,0,0,1,0,0|3,0,0]=4 405 B18R2.7184 CC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_200000210301 [0,0,0,0,1,0|3,0,0]=4 406 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 11a_100000689936_100015343762 [0,0,0,0,1,0|3,0,0]=4 407 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 1626a_100000689936_100015343762 [0,0,0,0,1,0|3,0,0]=4 408 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 240690a_100000689936_100015343762 [0,0,0,0,1,0|3,0,0]=4 409 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 527a_100000689936_100103153847 [0,0,0,0,1,0|3,0,0]=4 410 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210206 [0,0,0,0,1,0|3,0,0]=4 411 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 2230a_100138425928_100000211591 [0,0,0,0,1,0|3,0,0]=4 412 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100000210206 [0,0,0,0,1,0|3,0,0]=4 413 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210206 [0,0,0,0,1,0|2,0,0]=3 414 B18R2.7184 CC(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100000210206 [0,0,0,0,1,0|3,0,0]=4 415 B18R2.7184 CC(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000210206 [0,0,0,0,1,0|3,0,0]=4 416 B18R2.7184 CC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000210206 [0,0,0,0,1,0|2,0,0]=3 417 B18R2.7184 CC(C)SC(c1ccccc1)c2ccccc2 62a_100000210206_100011216954 [0,0,0,0,1,0|3,0,0]=4 418 B18R2.7184 CC(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100000210206 [0,0,0,0,1,0|3,0,0]=4 419 B18R2.7184 [13CH3]C(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_200025704644 [0,0,0,0,1,0|3,0,0]=4 420 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccco2 2230a_100015185865_100000210760 [0,0,0,0,1,0|3,0,0]=4 421 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccco2 270004a_100015185865_100000210432 [0,0,0,0,1,0|3,0,0]=4 422 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccco2 34a_100015185865_100000210624 [0,0,0,0,1,0|3,0,0]=4 423 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 2230a_100025760362_100000210760 [0,0,0,0,1,0|3,0,0]=4 424 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 270004a_100000210953_100011214959 [0,0,0,0,1,0|3,0,0]=4 425 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 270004a_100025760362_100000210432 [0,0,0,0,1,0|3,0,0]=4 426 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 34a_100025760362_100000210624 [0,0,0,0,1,0|3,0,0]=4 427 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000210760 [0,0,0,0,1,0|3,0,0]=4 428 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccoc2 270004a_100102946537_100000210432 [0,0,0,0,1,0|3,0,0]=4 429 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccoc2 34a_100102946537_100000210624 [0,0,0,0,1,0|3,0,0]=4 430 B18R2.9953 CC(C)COC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210760 [0,0,0,0,1,0|3,0,0]=4 431 B20R2.10559 CC(C)CCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210312 [0,0,0,0,0,1|3,0,0]=4 432 B20R2.10559 CC(C)CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000210312 [0,0,0,0,0,1|3,0,0]=4 433 B20R2.10559 CC(C)CCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000210312 [0,0,0,0,0,1|3,0,0]=4 434 B20R2.10559 CC(C)CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210760 [0,0,0,0,0,1|3,0,0]=4 435 B20R2.10559 CC(C)CNC(Cc1ccccc1)c2ccccc2 270004a_100025772854_100000210432 [0,0,0,0,0,1|3,0,0]=4 436 B20R2.10559 CC(C)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000210624 [0,0,0,0,0,1|3,0,0]=4 437 B20R2.10559 CC(C)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000210760 [0,0,0,0,0,1|3,0,0]=4 438 B20R2.10559 CN(C)CCC(Nc1cccnn1)c2ccccc2 27a_200015187826_100016991348 [0,0,0,0,0,1|1,0,0]=2 439 B20R2.10559 CN(C)CCC(Nc1ccncn1)c2ccccc2 27a_200015187826_100000703185 [0,0,0,0,0,1|1,0,0]=2 440 B20R2.10559 CN(C)CCC(Nc1cnccn1)c2ccccc2 27a_200015187826_100000211759 [0,0,0,0,0,1|1,0,0]=2 441 B20R2.10559 CN(C)CCC(Nc1ncccn1)c2ccccc2 27a_200015187826_100000211032 [0,0,0,0,0,1|1,0,0]=2 442 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000755713 [0,0,0,0,0,1|2,0,0]=3 443 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccc2 269982a_200000219566_100000211182 [0,0,0,0,0,1|2,0,0]=3 444 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2cccnn2 27a_114929131140_100016991348 [0,0,0,0,0,1|2,0,0]=3 445 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccncn2 27a_114929131140_100000703185 [0,0,0,0,0,1|2,0,0]=3 446 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2cnccn2 27a_114929131140_100000211759 [0,0,0,0,0,1|2,0,0]=3 447 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ncccn2 27a_114929131140_100000211032 [0,0,0,0,0,1|2,0,0]=3 448 B20R2.10559 CN(C)CCN(Cc1ccccn1)c2ccccc2 269982a_200000219566_100000721315 [0,0,0,0,0,1|1,0,0]=2 449 B20R2.10559 CN(C)CCN(Cc1cccnc1)c2ccccc2 269982a_200000219566_100000733263 [0,0,0,0,0,1|3,0,0]=4 450 B20R2.10559 CN(C)CCN(Cc1ccncc1)c2ccccc2 269982a_200000219566_100015193705 [0,0,0,0,0,1|3,0,0]=4 451 B20R2.10559 CN(C)CCN(Cc1cnccn1)c2ccccc2 269982a_200000219566_100016995436 [0,0,0,0,0,1|2,0,0]=3 452 B20R2.10559 CN(C)CCN(Cc1ncccn1)c2ccccc2 269982a_200000219566_100000703007 [0,0,0,0,0,1|2,0,0]=3 453 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730704 [0,0,0,0,0,1|2,0,1]=4 454 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000730704 [0,0,0,0,0,1|2,0,1]=4 455 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000730704 [0,0,0,0,0,1|1,0,1]=3 456 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000730704 [0,0,0,0,0,1|2,0,1]=4 457 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000730704 [0,0,0,0,0,1|2,0,1]=4 458 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000730704 [0,0,0,0,0,1|1,0,1]=3 459 B20R2.10799 C=C(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000748629 [0,0,0,0,0,1|2,0,1]=4 460 B20R2.10799 C=C(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000748629 [0,0,0,0,0,1|2,0,1]=4 461 B20R2.10799 C=C(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000748629 [0,0,0,0,0,1|2,0,1]=4 462 B20R2.10799 C=C(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000748629 [0,0,0,0,0,1|2,0,1]=4 463 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 2230a_100000162943_100000761012 [0,0,0,0,0,1|2,0,1]=4 464 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 270004a_100000718196_100000210122 [0,0,0,0,0,1|2,0,1]=4 465 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 34a_100000162943_100000761012 [0,0,0,0,0,1|2,0,1]=4 466 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccn2)C 2230a_100000689936_100000761012 [0,0,0,0,0,1|1,0,1]=3 467 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccn2)C 270004a_100000718196_100000210380 [0,0,0,0,0,1|1,0,1]=3 468 B20R2.10799 CC(=CCNC(c1cccnc1)c2ccccn2)C 270004a_100000718196_100011376182 [0,0,0,0,0,1|2,0,1]=4 469 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccc2)C 34a_100000211180_100000761012 [0,0,0,0,0,1|2,0,1]=4 470 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccc2)C 7a_100000211180_100000761012 [0,0,0,0,0,1|2,0,1]=4 471 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccn2)C 7a_100000180852_100000761012 [0,0,0,0,0,1|1,0,1]=3 472 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000070787_100000734929 [0,0,0,0,0,1|3,0,0]=4 473 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000053229 [0,0,0,0,0,1|3,0,0]=4 474 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000759926_100011216954 [0,0,0,0,0,1|3,0,0]=4 475 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000053229 [0,0,0,0,0,1|2,0,0]=3 476 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000053229_100011216954 [0,0,0,0,0,1|3,0,0]=4 477 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000053229 [0,0,0,0,0,1|3,0,0]=4 478 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100015343762 [0,0,0,0,0,1|3,0,0]=4 479 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100015343762 [0,0,0,0,0,1|3,0,0]=4 480 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100015343762 [0,0,0,0,0,1|3,0,0]=4 481 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100103153847 [0,0,0,0,0,1|3,0,0]=4 482 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210312 [0,0,0,0,0,1|2,0,0]=3 483 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 269862a_100000162943_100000185833 [0,0,0,0,0,1|2,0,0]=3 484 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000210545_100000210122 [0,0,0,0,0,1|2,0,0]=3 485 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210312 [0,0,0,0,0,1|2,0,0]=3 486 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210312 [0,0,0,0,0,1|1,0,0]=2 487 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 269862a_100000689936_100000185833 [0,0,0,0,0,1|1,0,0]=2 488 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000210545_100000210380 [0,0,0,0,0,1|1,0,0]=2 489 B20R2.10799 CC(C)CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210312 [0,0,0,0,0,1|3,0,0]=4 490 B20R2.10799 CC(C)CCNC(c1ccccc1)c2cccnc2 270004a_100000210545_100000735413 [0,0,0,0,0,1|3,0,0]=4 491 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210312 [0,0,0,0,0,1|3,0,0]=4 492 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccncc2 269862a_100025760769_100000185833 [0,0,0,0,0,1|3,0,0]=4 493 B20R2.10799 CC(C)CCNC(c1ccccn1)c2ccccn2 269862a_100009954364_100000185833 [0,0,0,0,0,1|2,0,0]=3 494 B20R2.10799 CC(C)CCNC(c1cccnc1)c2ccccn2 270004a_100000210545_100011376182 [0,0,0,0,0,1|2,0,0]=3 495 B20R2.10799 CC(C)CCNC(c1cccnc1)c2cnccn2 270004a_100000210545_100000732570 [0,0,0,0,0,1|3,0,0]=4 496 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210312 [0,0,0,0,0,1|2,0,0]=3 497 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000210254_100011216954 [0,0,0,0,0,1|2,0,0]=3 498 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210626 [0,0,0,0,0,1|2,0,0]=3 499 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210626 [0,0,0,0,0,1|1,0,0]=2 500 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210760 [0,0,0,0,0,1|2,0,0]=3 501 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000210432 [0,0,0,0,0,1|2,0,0]=3 502 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210624 [0,0,0,0,0,1|2,0,0]=3 503 B20R2.10799 CC(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210624 [0,0,0,0,0,1|2,0,0]=3 504 B20R2.10799 CC(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210760 [0,0,0,0,0,1|2,0,0]=3 505 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210206 [0,0,0,0,0,1|2,0,0]=3 506 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100138425928_100009813428 [0,0,0,0,0,1|2,0,0]=3 507 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210206 [0,0,0,0,0,1|2,0,0]=3 508 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 34a_100138425928_100009813428 [0,0,0,0,0,1|2,0,0]=3 509 B20R2.10799 CC(C)NCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210206 [0,0,0,0,0,1|3,0,0]=4 510 B20R2.10799 CC(C)NCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210206 [0,0,0,0,0,1|3,0,0]=4 511 B20R2.10799 CC(C)NCC[S+](c1ccccc1)c2ccccc2 2230a_100138425928_100010140906 [0,0,0,0,0,1|3,0,0]=4 512 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210206 [0,0,0,0,0,1|2,0,0]=3 513 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000212225_100009813428 [0,0,0,0,0,1|2,0,0]=3 514 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210206 [0,0,0,0,0,1|2,0,0]=3 515 B20R2.10799 CC(C)OCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210206 [0,0,0,0,0,1|3,0,0]=4 516 B20R2.10799 CC(C)OCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210206 [0,0,0,0,0,1|3,0,0]=4 517 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000709892 [0,0,0,0,0,1|3,0,0]=4 518 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000709892 [0,0,0,0,0,1|3,0,0]=4 519 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000709892 [0,0,0,0,0,1|2,0,0]=3 520 B20R2.10799 CC(C)OCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000709892 [0,0,0,0,0,1|3,0,0]=4 521 B20R2.10799 CC(C)OCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000709892 [0,0,0,0,0,1|3,0,0]=4 522 B20R2.10799 CC(C)OCSC(c1ccccc1)c2ccccc2 62a_100000709892_100011216954 [0,0,0,0,0,1|3,0,0]=4 523 B20R2.10799 CC(C)SCC[S+](c1ccccc1)c2ccccc2 62a_100000210206_100010140906 [0,0,0,0,0,1|3,0,0]=4 524 B20R2.10799 CC(C)SCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000210206 [0,0,0,0,0,1|3,0,0]=4 525 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100012276601 [0,0,0,0,0,1|3,0,0]=4 526 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 2230a_200000755665_100000211591 [0,0,0,0,0,1|3,0,0]=4 527 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 270004a_200000755665_100000210122 [0,0,0,0,0,1|3,0,0]=4 528 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100012276601 [0,0,0,0,0,1|3,0,0]=4 529 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100012276601 [0,0,0,0,0,1|2,0,0]=3 530 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccn2 270004a_200000755665_100000210380 [0,0,0,0,0,1|2,0,0]=3 531 B20R2.10799 CC(O)CCNC(c1cccnc1)c2ccccn2 270004a_200000755665_100011376182 [0,0,0,0,0,1|3,0,0]=4 532 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100012276601 [0,0,0,0,0,1|3,0,0]=4 533 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100012276601 [0,0,0,0,0,1|3,0,0]=4 534 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100012276601 [0,0,0,0,0,1|2,0,0]=3 535 B20R2.10799 CC(O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100012276601 [0,0,0,0,0,1|3,0,0]=4 536 B20R2.10799 CC(O)CCSC(c1ccccc1)c2ccccc2 62a_100012276601_100011216954 [0,0,0,0,0,1|3,0,0]=4 537 B20R2.10799 CC(O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011218427 [0,0,0,0,0,1|3,0,0]=4 538 B20R2.10799 CC(O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011218427 [0,0,0,0,0,1|3,0,0]=4 539 B20R2.10799 CC(O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100011218427 [0,0,0,0,0,1|3,0,0]=4 540 B20R2.10799 CC(O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100011218427 [0,0,0,0,0,1|3,0,0]=4 541 B20R2.10799 CN(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000210585_100000210122 [0,0,0,0,0,1|1,0,0]=2 542 B20R2.10799 CN(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000210585_100000210380 [0,0,0,0,0,1|0,0,0]=1 543 B20R2.10799 CN(C)CCNC(c1ccccc1)c2cccnc2 270004a_100000210585_100000735413 [0,0,0,0,0,1|2,0,0]=3 544 B20R2.10799 CN(C)CCNC(c1cccnc1)c2ccccn2 270004a_100000210585_100011376182 [0,0,0,0,0,1|1,0,0]=2 545 B20R2.10799 CN(C)CCNC(c1cccnc1)c2cccnc2 270004a_100000210585_200011376183 [0,0,0,0,0,1|3,0,0]=4 546 B20R2.10799 CN(C)CCNC(c1cccnc1)c2cnccn2 270004a_100000210585_100000732570 [0,0,0,0,0,1|2,0,0]=3 547 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 2230a_100102631434_100000734929 [0,0,0,0,0,1|1,0,0]=2 548 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_200000210301 [0,0,0,0,0,1|1,0,0]=2 549 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 269982a_100102631434_100000734929 [0,0,0,0,0,1|1,0,0]=2 550 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_200000210301 [0,0,0,0,0,1|1,0,0]=2 551 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000755713 [0,0,0,0,0,1|1,0,0]=2 552 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000755713 [0,0,0,0,0,1|0,0,0]=1 553 B20R2.10799 CN(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000755713 [0,0,0,0,0,1|1,0,0]=2 554 B20R2.10799 CN([13CH3])CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_200025704644 [0,0,0,0,0,1|1,0,0]=2 555 B20R2.10799 CN([13CH3])CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_200025704644 [0,0,0,0,0,1|1,0,0]=2 556 B20R2.10799 C[C@@H](O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100009817552 [0,0,0,0,0,1|3,0,0]=4 557 B20R2.10799 C[C@@H](O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100009817552 [0,0,0,0,0,1|3,0,0]=4 558 B20R2.10799 C[C@@H](O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100009817552 [0,0,0,0,0,1|3,0,0]=4 559 B20R2.10799 C[C@@H](O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100009817552 [0,0,0,0,0,1|3,0,0]=4 560 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000744528 [0,0,0,0,0,1|3,0,0]=4 561 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000744528 [0,0,0,0,0,1|3,0,0]=4 562 B17R2.159 CCCN(c1ccccc1)c2cccnn2 27a_200011218496_100016991348 [2,0,0,0,0,0|2,0,0]=4 563 B17R2.159 CCCN(c1ccccc1)c2ccncn2 27a_200011218496_100000703185 [2,0,0,0,0,0|2,0,0]=4 564 B17R2.159 CCCN(c1ccccc1)c2cnccn2 27a_200011218496_100000211759 [2,0,0,0,0,0|2,0,0]=4 565 B17R2.159 CCCN(c1ccccc1)c2ncccn2 27a_200011218496_100000211032 [2,0,0,0,0,0|2,0,0]=4 566 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210202 [2,0,0,0,0,0|2,0,0]=4 567 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100015525214_100000211591 [2,0,0,0,0,0|2,0,0]=4 568 B17R2.159 CCNC(c1ccccc1)c2ccccc2 270004a_100015525214_100000210122 [2,0,0,0,0,0|2,0,0]=4 569 B17R2.159 CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210202 [2,0,0,0,0,0|2,0,0]=4 570 B17R2.159 CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210202 [2,0,0,0,0,0|1,0,0]=3 571 B17R2.159 CCNC(c1ccccc1)c2ccccn2 270004a_100015525214_100000210380 [2,0,0,0,0,0|1,0,0]=3 572 B17R2.159 CCNC(c1cccnc1)c2ccccn2 270004a_100015525214_100011376182 [2,0,0,0,0,0|2,0,0]=4 573 B17R2.159 CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210202 [2,0,0,0,0,0|2,0,0]=4 574 B17R2.159 CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210202 [2,0,0,0,0,0|2,0,0]=4 575 B17R2.159 CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210202 [2,0,0,0,0,0|1,0,0]=3 576 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000210202_100011216954 [2,0,0,0,0,0|2,0,0]=4 577 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210202 [2,0,0,0,0,0|2,0,0]=4 578 B17R2.159 CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_200000210301 [2,0,0,0,0,0|1,0,0]=3 579 B17R2.159 CNCC(c1ccccc1)c2ccccc2 34a_100000739227_200000210301 [2,0,0,0,0,0|1,0,0]=3 580 B17R2.159 COCC(c1ccccc1)c2ccccc2 34a_100011215272_200000210301 [2,0,0,0,0,0|2,0,0]=4 581 B17R2.159 COCC(c1ccccc1)c2ccccc2 7a_100011215272_200000210301 [2,0,0,0,0,0|2,0,0]=4 582 B17R2.159 FCOC(c1ccccc1)c2ccccn2 7a_100000180852_100015361967 [2,0,0,0,0,0|2,0,0]=4 583 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 2230a_100000739227_200025704644 [2,0,0,0,0,0|1,0,0]=3 584 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 34a_100000739227_200025704644 [2,0,0,0,0,0|1,0,0]=3 585 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 34a_100011215272_200025704644 [2,0,0,0,0,0|2,0,0]=4 586 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 7a_100011215272_200025704644 [2,0,0,0,0,0|2,0,0]=4 587 B19R1.27656 C=CC=CC(=O)NC(CCN(C)C)c1ccccc1 1626a_200015187826_100016291481 [0,1,1,0,0,0|2,0,0]=4 588 B19R1.55055 C/C=C/C=CC(=O)N(CCN(C)C)c1ccccc1 11a_200000219566_100000185730 [0,1,1,0,0,0|2,0,0]=4 589 B19R1.55055 C/C=C/C=CC(=O)N(CCN(C)C)c1ccccc1 1626a_200000219566_100000185730 [0,1,1,0,0,0|2,0,0]=4 590 B19R1.55055 C/C=C/C=CC(=O)N(CCN(C)C)c1ccccc1 22a_200000219566_100000185730 [0,1,1,0,0,0|2,0,0]=4 591 B19R2.31 CCCCN(c1ccccc1)c2cc(ccn2)F 27a_100000211623_100000764206 [1,1,0,0,0,0|2,0,0]=4 592 B19R2.31 CCCCN(c1ccccc1)c2cccc(n2)F 27a_100000211623_100009815982 [1,1,0,0,0,0|2,0,0]=4 593 B19R2.31 CCCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100020643023_100000688346 [1,1,0,0,0,0|2,0,0]=4 594 B19R2.34 CCCCN(c1ccccc1)c2ccc(cn2)Br 27a_100000211623_100000686858 [1,1,0,0,0,0|2,0,0]=4 595 B19R2.34 CCCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100020643023_200010179208 [1,1,0,0,0,0|2,0,0]=4 596 B19R2.34 CCCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100020643023_100000753647 [1,1,0,0,0,0|2,0,0]=4 597 B19R2.34 CCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210303 [1,1,0,0,0,0|2,0,0]=4 598 B19R2.34 CCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000210303_200010188304 [1,1,0,0,0,0|2,0,0]=4 599 B19R2.34 CCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000210303 [1,1,0,0,0,0|2,0,0]=4 600 B19R2.34 COCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000766300_200010188304 [1,1,0,0,0,0|2,0,0]=4 601 B19R2.34 COCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000766300 [1,1,0,0,0,0|2,0,0]=4 602 B19R2.34 CSCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011218213 [1,1,0,0,0,0|2,0,0]=4 603 B19R2.34 CSCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100011218213_200010188304 [1,1,0,0,0,0|2,0,0]=4 604 B19R2.34 CSCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100011218213 [1,1,0,0,0,0|2,0,0]=4 605 B19R2.2474 C#CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000688953 [1,1,0,0,0,0|1,0,1]=4 606 B19R2.2474 C#CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000688953 [1,1,0,0,0,0|1,0,1]=4 607 B19R2.2474 C/C=C/COC(c1ccccc1)c2ccccn2 7a_100000180852_100102629194 [1,1,0,0,0,0|1,0,1]=4 608 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000754431 [1,1,0,0,0,0|1,0,1]=4 609 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccn2 270004a_100015191253_100000210380 [1,1,0,0,0,0|1,0,1]=4 610 B19R2.2474 C=CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000754431 [1,1,0,0,0,0|1,0,1]=4 611 B19R2.2474 CC#CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748600 [1,1,0,0,0,0|1,0,1]=4 612 B19R2.2474 CC#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000748600 [1,1,0,0,0,0|1,0,1]=4 613 B19R2.2474 CC=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000070051 [1,1,0,0,0,0|1,0,1]=4 614 B19R2.2474 CC=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000070051 [1,1,0,0,0,0|1,0,1]=4 615 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 2230a_100000102301_100000211591 [1,1,0,0,0,0|2,0,0]=4 616 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210211 [1,1,0,0,0,0|2,0,0]=4 617 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 270004a_100000102301_100000210122 [1,1,0,0,0,0|2,0,0]=4 618 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210210 [1,1,0,0,0,0|2,0,0]=4 619 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 7a_106832991798_100011216954 [1,1,0,0,0,0|2,0,0]=4 620 B19R2.2474 CCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210211 [1,1,0,0,0,0|1,0,0]=3 621 B19R2.2474 CCCCNC(c1ccccc1)c2ccccn2 270004a_100000102301_100000210380 [1,1,0,0,0,0|1,0,0]=3 622 B19R2.2474 CCCCNC(c1cccnc1)c2ccccn2 270004a_100000102301_100011376182 [1,1,0,0,0,0|2,0,0]=4 623 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210210 [1,1,0,0,0,0|2,0,0]=4 624 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 7a_100000210227_100011216954 [1,1,0,0,0,0|2,0,0]=4 625 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210211 [1,1,0,0,0,0|2,0,0]=4 626 B19R2.2474 CCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210211 [1,1,0,0,0,0|1,0,0]=3 627 B19R2.2474 CCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210303 [1,1,0,0,0,0|2,0,0]=4 628 B19R2.2474 CCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210303 [1,1,0,0,0,0|2,0,0]=4 629 B19R2.2474 CCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210303 [1,1,0,0,0,0|2,0,0]=4 630 B19R2.2474 CCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210303 [1,1,0,0,0,0|2,0,0]=4 631 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210202 [1,1,0,0,0,0|1,0,0]=3 632 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 2230a_100015525214_100009813428 [1,1,0,0,0,0|1,0,0]=3 633 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210202 [1,1,0,0,0,0|1,0,0]=3 634 B19R2.2474 CCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210202 [1,1,0,0,0,0|2,0,0]=4 635 B19R2.2474 CCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210202 [1,1,0,0,0,0|2,0,0]=4 636 B19R2.2474 CCNCC[S+](c1ccccc1)c2ccccc2 2230a_100015525214_100010140906 [1,1,0,0,0,0|2,0,0]=4 637 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210202 [1,1,0,0,0,0|2,0,0]=4 638 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 34a_100121572206_100009813428 [1,1,0,0,0,0|2,0,0]=4 639 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210202 [1,1,0,0,0,0|2,0,0]=4 640 B19R2.2474 CCSCCC(c1ccccc1)c2ccccc2 62a_100000210202_100009813428 [1,1,0,0,0,0|2,0,0]=4 641 B19R2.2474 CCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000210202 [1,1,0,0,0,0|2,0,0]=4 642 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200000210301 [1,1,0,0,0,0|2,0,0]=4 643 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200000210301 [1,1,0,0,0,0|2,0,0]=4 644 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 2230a_106832991635_100000734929 [1,1,0,0,0,0|1,0,0]=3 645 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 34a_100102657272_100000734929 [1,1,0,0,0,0|1,0,0]=3 646 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 7a_106832991635_100000734929 [1,1,0,0,0,0|1,0,0]=3 647 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011201679 [1,1,0,0,0,0|2,0,0]=4 648 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 2230a_100000209980_100000211591 [1,1,0,0,0,0|2,0,0]=4 649 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 270004a_100000209980_100000210122 [1,1,0,0,0,0|2,0,0]=4 650 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011201679 [1,1,0,0,0,0|2,0,0]=4 651 B19R2.2474 COCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011201679 [1,1,0,0,0,0|1,0,0]=3 652 B19R2.2474 COCCNC(c1ccccc1)c2ccccn2 270004a_100000209980_100000210380 [1,1,0,0,0,0|1,0,0]=3 653 B19R2.2474 COCCNC(c1cccnc1)c2ccccn2 270004a_100000209980_100011376182 [1,1,0,0,0,0|2,0,0]=4 654 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011201679 [1,1,0,0,0,0|2,0,0]=4 655 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 34a_100138415774_100000734929 [1,1,0,0,0,0|2,0,0]=4 656 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000233755 [1,1,0,0,0,0|2,0,0]=4 657 B19R2.2474 COCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000233755 [1,1,0,0,0,0|1,0,0]=3 658 B19R2.2474 COCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000233755 [1,1,0,0,0,0|2,0,0]=4 659 B19R2.2474 COCCSC(c1ccccc1)c2ccccc2 62a_100000233755_100011216954 [1,1,0,0,0,0|2,0,0]=4 660 B19R2.2474 COCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000766300 [1,1,0,0,0,0|2,0,0]=4 661 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000751147 [1,1,0,0,0,0|2,0,0]=4 662 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 2230a_100020590264_100000211591 [1,1,0,0,0,0|2,0,0]=4 663 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 270004a_100020590264_100000210122 [1,1,0,0,0,0|2,0,0]=4 664 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000212216 [1,1,0,0,0,0|2,0,0]=4 665 B19R2.2474 CSCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000751147 [1,1,0,0,0,0|1,0,0]=3 666 B19R2.2474 CSCCNC(c1ccccc1)c2ccccn2 270004a_100020590264_100000210380 [1,1,0,0,0,0|1,0,0]=3 667 B19R2.2474 CSCCNC(c1cccnc1)c2ccccn2 270004a_100020590264_100011376182 [1,1,0,0,0,0|2,0,0]=4 668 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000212216 [1,1,0,0,0,0|2,0,0]=4 669 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_200000210301 [1,1,0,0,0,0|2,0,0]=4 670 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 62a_200000210301_100000734929 [1,1,0,0,0,0|2,0,0]=4 671 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000212216 [1,1,0,0,0,0|2,0,0]=4 672 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 7a_100000230434_100011216954 [1,1,0,0,0,0|2,0,0]=4 673 B19R2.2474 CSCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000212216 [1,1,0,0,0,0|1,0,0]=3 674 B19R2.2474 CSCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000751147 [1,1,0,0,0,0|2,0,0]=4 675 B19R2.2474 CSCCSC(c1ccccc1)c2ccccc2 62a_100000212216_100011216954 [1,1,0,0,0,0|2,0,0]=4 676 B19R2.2474 CSCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011218213 [1,1,0,0,0,0|2,0,0]=4 677 B19R2.2474 CSCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011218213 [1,1,0,0,0,0|2,0,0]=4 678 B19R2.2474 CSCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011218213 [1,1,0,0,0,0|2,0,0]=4 679 B19R2.2474 FCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011934791 [1,1,0,0,0,0|2,0,0]=4 680 B19R2.2474 FCCCNC(c1ccccc1)c2ccccn2 270004a_100015189416_100000210380 [1,1,0,0,0,0|2,0,0]=4 681 B19R2.2474 FCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011934791 [1,1,0,0,0,0|2,0,0]=4 682 B19R2.2474 FCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100015361967 [1,1,0,0,0,0|1,0,0]=3 683 B19R2.2474 FCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100015361967 [1,1,0,0,0,0|2,0,0]=4 684 B19R2.2474 FCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100015361967 [1,1,0,0,0,0|2,0,0]=4 685 B19R2.2474 FCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100015361967 [1,1,0,0,0,0|2,0,0]=4 686 B19R2.2474 FCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100015361967 [1,1,0,0,0,0|2,0,0]=4 687 B19R2.2474 FCSCCC(c1ccccc1)c2ccccc2 62a_100015361967_100009813428 [1,1,0,0,0,0|2,0,0]=4 688 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011215226 [1,1,0,0,0,0|2,0,0]=4 689 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccn2 270004a_100000720768_100000210380 [1,1,0,0,0,0|2,0,0]=4 690 B19R2.2474 N#CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000184422 [1,1,0,0,0,0|2,0,0]=4 691 B19R2.2474 OCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000230001 [1,1,0,0,0,0|2,0,0]=4 692 B19R2.2474 OCCCNC(c1ccccc1)c2ccccn2 270004a_100000182051_100000210380 [1,1,0,0,0,0|2,0,0]=4 693 B19R2.2474 OCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215043 [1,1,0,0,0,0|2,0,0]=4 694 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200025704644 [1,1,0,0,0,0|2,0,0]=4 695 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200025704644 [1,1,0,0,0,0|2,0,0]=4 696 B19R2.2474 [13CH3]SCCOC(c1ccccc1)c2ccccc2 62a_100000734929_200025704644 [1,1,0,0,0,0|2,0,0]=4 697 B19R2.2474 [13CH3]SCCOC(c1ccccc1)c2ccccc2 62a_200025704644_100000734929 [1,1,0,0,0,0|2,0,0]=4 698 B19R2.4625 CCCCN(c1ccccc1)c2ncccc2Br 27a_100000211623_100000696092 [1,1,0,0,0,0|2,0,0]=4 699 B19R2.4625 CCCNC(c1ccccn1)c2ccccc2Cl 270004a_100020643023_100011400554 [1,1,0,0,0,0|2,0,0]=4 700 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccn2 270004a_100000747261_100000210380 [1,1,0,0,0,0|2,0,0]=4 701 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000758301 [1,1,0,0,0,0|2,0,0]=4 702 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccn2 270004a_100000209981_100000210380 [1,1,0,0,0,0|2,0,0]=4 703 B19R2.12918 CCC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000758301 [1,1,0,0,0,0|2,0,0]=4 704 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 11a_106832991635_100000499737 [1,1,0,0,0,0|1,0,1]=4 705 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 1626a_100102657272_100000499737 [1,1,0,0,0,0|1,0,1]=4 706 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100102657272_100000499737 [1,1,0,0,0,0|1,0,1]=4 707 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 527a_100102657272_100000499737 [1,1,0,0,0,0|1,0,1]=4 708 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccn2 2708a_100102657272_100000689936 [1,1,0,0,0,0|1,0,1]=4 709 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccn2 273464a_100102657272_100000689936 [1,1,0,0,0,0|1,0,1]=4 710 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccn2 512a_106832991638_100000689936 [1,1,0,0,0,0|1,0,1]=4 711 B19R2.12918 CNC(C)CC(c1ccccc1)c2ccccc2 270004a_106832991635_200000011111 [1,1,0,0,0,0|1,0,0]=3 712 B19R2.13225 CCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210303 [1,1,0,0,0,0|2,0,0]=4 713 B19R2.12362 CC(C)NC(c1ccc(cc1)Cl)c2ccccn2 2230a_100138425928_200010188304 [0,1,0,0,1,0|2,0,0]=4 714 B19R2.12362 CC(C)OC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210206 [0,1,0,0,1,0|2,0,0]=4 715 B19R2.12362 CC(C)SC(c1ccc(cc1)Cl)c2ccccn2 62a_100000210206_200010188304 [0,1,0,0,1,0|2,0,0]=4 716 B19R2.12362 CC(C)SC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000210206 [0,1,0,0,1,0|2,0,0]=4 717 B19R2.13518 CC(C)OC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210206 [0,1,0,0,1,0|2,0,0]=4 718 B19R2.113616 CC(C)N(C)C(c1ccccc1)c2ccccn2 270004a_200000211004_100000210380 [0,1,0,0,1,0|2,0,0]=4 719 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 11a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 720 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 1626a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 721 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 240690a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 722 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 527a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 723 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 11a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 724 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 1626a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 725 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 240690a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 726 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 527a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 727 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3cccnn3 27a_100000212268_100016991348 [0,0,0,1,0,1|2,0,0]=4 728 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3ccncn3 27a_100000212268_100000703185 [0,0,0,1,0,1|2,0,0]=4 729 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3cnccn3 27a_100000212268_100000211759 [0,0,0,1,0,1|2,0,0]=4 730 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3ncccn3 27a_100000212268_100000211032 [0,0,0,1,0,1|2,0,0]=4 731 B21R3.527 CC1CC1COC(c2ccccc2)c3ccccc3 7a_100000744939_100011216954 [0,0,0,1,0,1|2,0,0]=4 732 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 2230a_100016987628_100000211591 [0,0,0,1,0,1|2,0,0]=4 733 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 269982a_100016987628_100000211591 [0,0,0,1,0,1|2,0,0]=4 734 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 270004a_100016987628_100000210122 [0,0,0,1,0,1|2,0,0]=4 735 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccn3 270004a_100016987628_100000210380 [0,0,0,1,0,1|1,0,0]=3 736 B21R3.7545 C[C@@H]1CCN(C1)C(c2cccnc2)c3ccccn3 270004a_100016987628_100011376182 [0,0,0,1,0,1|2,0,0]=4 737 B21R3.7545 F[C@H]1CCN(C1)C(c2ccccc2)c3ccccn3 270004a_100015203821_100000210380 [0,0,0,1,0,1|2,0,0]=4 738 B21R3.7545 OC1CCN(C1)C(c2ccccc2)c3ccccn3 270004a_100011215560_100000210380 [0,0,0,1,0,1|2,0,0]=4 739 B21R3.21229 C=C1CC(C1)NC(c2ccccc2)c3ccccn3 270004a_100132301982_100000210380 [0,0,0,1,0,1|1,0,1]=4 740 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3ccccc3 270004a_100015196640_100000210122 [0,0,0,1,0,1|1,0,0]=3 741 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3ccccn3 270004a_100015196640_100000210380 [0,0,0,1,0,1|0,0,0]=2 742 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3cccnc3 270004a_100015196640_100000735413 [0,0,0,1,0,1|2,0,0]=4 743 B21R3.21229 CN1CC(C1)NC(c2cccnc2)c3ccccn3 270004a_100015196640_100011376182 [0,0,0,1,0,1|1,0,0]=3 744 B21R3.21229 CN1CC(C1)NC(c2cccnc2)c3cnccn3 270004a_100015196640_100000732570 [0,0,0,1,0,1|2,0,0]=4 745 B21R3.21229 FC1CC(C1)NC(c2ccccc2)c3ccccn3 270004a_100016993743_100000210380 [0,0,0,1,0,1|2,0,0]=4 746 B21R3.21229 O[C@H]1C[C@@H](C1)NC(c2ccccc2)c3ccccn3 270004a_100020629032_100000210380 [0,0,0,1,0,1|2,0,0]=4 747 B21R3.47875 c1ccc(cc1)C(CCNC2CC2)c3ccccc3 34a_100000212008_100009813428 [0,0,0,1,0,1|2,0,0]=4 748 B21R3.47875 c1ccc(cc1)C(CCNC2CC2)c3ccccc3 34a_100000272388_100000211595 [0,0,0,1,0,1|2,0,0]=4 749 B21R3.47875 c1ccc(cc1)C(CCOC2CC2)c3ccccc3 34a_100000032380_100000211595 [0,0,0,1,0,1|2,0,0]=4 750 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 2230a_100000739227_100000742324 [0,0,0,1,0,1|2,0,0]=4 751 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 269862a_100000739227_100000741477 [0,0,0,1,0,1|2,0,0]=4 752 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 34a_100000739227_100000742324 [0,0,0,1,0,1|2,0,0]=4 753 B21R3.47875 c1ccc(cc1)C(COCC2CC2)c3ccccc3 34a_100011215272_100000742324 [0,0,0,1,0,1|2,0,0]=4 754 B21R3.47875 c1ccc(cc1)C(COCC2CC2)c3ccccc3 7a_100011215272_100000742324 [0,0,0,1,0,1|2,0,0]=4 755 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 2230a_100000162943_100000694398 [0,0,0,1,0,1|2,0,0]=4 756 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 270004a_100000764129_100000210122 [0,0,0,1,0,1|2,0,0]=4 757 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 34a_100000162943_100000694398 [0,0,0,1,0,1|2,0,0]=4 758 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccn3 2230a_100000689936_100000694398 [0,0,0,1,0,1|1,0,0]=3 759 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccn3 270004a_100000764129_100000210380 [0,0,0,1,0,1|1,0,0]=3 760 B21R3.47875 c1ccc(cc1)C(NCCC2CO2)c3ccccn3 2230a_100000689936_100000732470 [0,0,0,1,0,1|2,0,0]=4 761 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 34a_100000211180_100000694398 [0,0,0,1,0,1|2,0,0]=4 762 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 7a_100000211180_100000764125 [0,0,0,1,0,1|2,0,0]=4 763 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 7a_100000754188_100011216954 [0,0,0,1,0,1|2,0,0]=4 764 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccn3 7a_100000180852_100000764125 [0,0,0,1,0,1|1,0,0]=3 765 B21R3.47875 c1ccc(cc1)C(OCCC2CO2)c3ccccn3 7a_100000180852_100000732470 [0,0,0,1,0,1|2,0,0]=4 766 B21R3.47875 c1ccc(nc1)C(NCCC2CC2)c3cccnc3 270004a_100000764129_100011376182 [0,0,0,1,0,1|2,0,0]=4 767 B21R3.9913503 CC(C)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210312 [0,0,0,1,0,1|2,0,0]=4 768 B21R3.9913503 CC(C)CCNC1c2ccccc2-c3c1cccc3 269862a_100000104097_100000185833 [0,0,0,1,0,1|2,0,0]=4 769 B21R3.9913503 CC(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000210254_100000211598 [0,0,0,1,0,1|2,0,0]=4 770 B21R3.9913503 CC(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210626 [0,0,0,1,0,1|2,0,0]=4 771 B21R3.9913503 CC(C)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210760 [0,0,0,1,0,1|2,0,0]=4 772 B21R3.9913503 CC(C)CNCC1c2ccccc2-c3c1cccc3 270004a_100016995487_100000210432 [0,0,0,1,0,1|2,0,0]=4 773 B21R3.9913503 CC(C)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210624 [0,0,0,1,0,1|2,0,0]=4 774 B21R3.9913503 CC(C)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210624 [0,0,0,1,0,1|2,0,0]=4 775 B21R3.9913503 CC(C)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210760 [0,0,0,1,0,1|2,0,0]=4 776 B21R3.9913503 CN(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000755713 [0,0,0,1,0,1|1,0,0]=3 777 B21R3.9913503 CN(C)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000755713 [0,0,0,1,0,1|1,0,0]=3 778 B21R3.808 CN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_200000210301 [0,1,0,1,0,0|1,0,0]=3 779 B21R3.808 CN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_200000210301 [0,1,0,1,0,0|1,0,0]=3 780 B21R3.808 CN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_200000210301 [0,1,0,1,0,0|1,0,0]=3 781 B21R3.808 [13CH3]N1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_200025704644 [0,1,0,1,0,0|1,0,0]=3 782 B21R3.808 [13CH3]N1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_200025704644 [0,1,0,1,0,0|1,0,0]=3 783 B21R3.808 [13CH3]N1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_200025704644 [0,1,0,1,0,0|1,0,0]=3 784 B21R3.38456 CCC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100015205115_100000210380 [0,1,0,1,0,0|2,0,0]=4 785 B21R3.38456 CSC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100016990038_100000210380 [0,1,0,1,0,0|2,0,0]=4 786 B21R3.47850 c1ccc(cc1)C(CCN2CCC2)c3ccccc3 269982a_100000754969_100009813428 [0,1,0,1,0,0|1,0,0]=3 787 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccn3 2230a_100000689936_100000763275 [0,1,0,1,0,0|2,0,0]=4 788 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccn3 269862a_100000689936_100000753134 [0,1,0,1,0,0|2,0,0]=4 789 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccn3 270004a_100000738700_100000210380 [0,1,0,1,0,0|2,0,0]=4 790 B21R3.47850 c1ccc(cc1)C(NCC2CCO2)c3ccccn3 2230a_100000689936_100000103362 [0,1,0,1,0,0|2,0,0]=4 791 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccn3 2230a_100000689936_100010264016 [0,1,0,1,0,0|2,0,0]=4 792 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccn3 270004a_100015281925_100000210380 [0,1,0,1,0,0|2,0,0]=4 793 B21R3.47850 c1ccc(cc1)C(NC[C@@H]2CCO2)c3ccccn3 270004a_100020831831_100000210380 [0,1,0,1,0,0|2,0,0]=4 794 B21R3.47850 c1ccc(cc1)C(OCC2CCC2)c3ccccn3 7a_100000180852_100000763275 [0,1,0,1,0,0|2,0,0]=4 795 B21R3.47850 c1ccc(cc1)C(OCC2CCO2)c3ccccn3 7a_100000180852_100000103362 [0,1,0,1,0,0|2,0,0]=4 796 B21R3.47850 c1ccc(cc1)C(OCC2COC2)c3ccccn3 7a_100000180852_100010264016 [0,1,0,1,0,0|2,0,0]=4 797 B21R3.47850 c1ccc(cc1)[S+](CCN2CCC2)c3ccccc3 269982a_100000754969_100010140906 [0,1,0,1,0,0|2,0,0]=4 798 B21R3.4215241 CC1(CC1)CNC(c2ccccc2)c3ccccn3 270004a_100000766693_100000210380 [0,1,0,1,0,0|2,0,0]=4 799 B21R3.4215241 OC1(CC1)CNC(c2ccccc2)c3ccccn3 270004a_100011936951_100000210380 [0,1,0,1,0,0|2,0,0]=4 800 B21R3.51990 CC(NC(c1ccccc1)c2ccccn2)C3CC3 269862a_100000689936_100000210639 [0,1,0,1,0,0|2,0,0]=4 801 B21R3.51990 CC(NC(c1ccccc1)c2ccccn2)C3CC3 270004a_100000700016_100000210380 [0,1,0,1,0,0|2,0,0]=4 802 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 11a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 803 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 1626a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 804 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 240690a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 805 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 527a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 806 B21R3.150232 Clc1cccc(c1)C(NCC2CC2)c3ccccn3 270004a_100000735609_100000688346 [0,1,0,1,0,0|2,0,0]=4 807 B21R3.469786 CC1CN(C1)C(c2cccc(c2)Cl)c3ccccn3 270004a_100000702820_100000688346 [0,1,0,1,0,0|2,0,0]=4 808 B21R3.521824 CC(OCC1CC1)(c2ccccc2)c3ccccn3 7a_200000075192_100000742324 [0,1,0,1,0,0|2,0,0]=4 809 B21R3.18311 Clc1ccccc1C(NCC2CC2)c3ccccn3 270004a_100000735609_100011400554 [0,1,0,1,0,0|2,0,0]=4 810 B21R3.18313 CC1CN(C1)C(c2ccccn2)c3ccccc3Cl 270004a_100000702820_100011400554 [0,1,0,1,0,0|2,0,0]=4 811 B21R3.192151 CC1(CN(C1)C(c2ccccc2)c3ccccn3)C 270004a_100000753659_100000210380 [0,1,0,1,0,0|2,0,0]=4 812 B21R3.192151 CC1(CN(C1)C(c2ccccc2)c3ccccn3)F 270004a_100000696199_100000210380 [0,1,0,1,0,0|2,0,0]=4 813 B21R3.192151 CC1(CN(C1)C(c2ccccc2)c3ccccn3)O 270004a_100000718560_100000210380 [0,1,0,1,0,0|2,0,0]=4 814 B21R3.520222 CN(CC1CC1)C(c2ccccc2)c3ccccn3 270004a_100000741881_100000210380 [0,1,0,1,0,0|2,0,0]=4 815 B21R3.30932 Brc1ccc(cc1)C(NCC2CC2)c3ccccn3 270004a_100000735609_200010179208 [0,1,0,1,0,0|2,0,0]=4 816 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccn3 2230a_100000735609_200010188304 [0,1,0,1,0,0|2,0,0]=4 817 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccn3 270004a_100000735609_100000753647 [0,1,0,1,0,0|2,0,0]=4 818 B21R3.30932 Clc1ccc(cc1)C(OCC2CC2)c3ccccn3 34a_100000242608_100000742324 [0,1,0,1,0,0|2,0,0]=4 819 B21R3.30932 Clc1ccc(cc1)C(SCC2CC2)c3ccccn3 62a_100000756562_200010188304 [0,1,0,1,0,0|2,0,0]=4 820 B21R3.30932 Clc1ccc(cc1)C(SCC2CC2)c3ccccn3 62a_200010188304_100000742324 [0,1,0,1,0,0|2,0,0]=4 821 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Br)c3ccccn3 270004a_100000702820_200010179208 [0,1,0,1,0,0|2,0,0]=4 822 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Cl)c3ccccn3 2230a_100000702820_200010188304 [0,1,0,1,0,0|2,0,0]=4 823 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Cl)c3ccccn3 269982a_100000702820_200010188304 [0,1,0,1,0,0|2,0,0]=4 824 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Cl)c3ccccn3 270004a_100000702820_100000753647 [0,1,0,1,0,0|2,0,0]=4 825 B17R2.42 CNCCC(c1ccccc1)c2ccco2 2230a_200000066865_200000210301 [1,0,0,0,1,0|1,0,0]=3 826 B17R2.42 CNCCC(c1ccccc1)c2ccco2 34a_200000066865_200000210301 [1,0,0,0,1,0|1,0,0]=3 827 B17R2.42 [13CH3]NCCC(c1ccccc1)c2ccco2 2230a_200000066865_200025704644 [1,0,0,0,1,0|1,0,0]=3 828 B17R2.42 [13CH3]NCCC(c1ccccc1)c2ccco2 34a_200000066865_200025704644 [1,0,0,0,1,0|1,0,0]=3 829 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 2230a_100102631434_100000211591 [0,0,0,0,2,0|1,0,0]=3 830 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_200000210301 [0,0,0,0,2,0|1,0,0]=3 831 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 269982a_100102631434_100000211591 [0,0,0,0,2,0|1,0,0]=3 832 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_200000210301 [0,0,0,0,2,0|1,0,0]=3 833 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 270004a_100102631434_100000210122 [0,0,0,0,2,0|1,0,0]=3 834 B17R2.5711 CN(C)C(c1ccccc1)c2ccccn2 270004a_100102631434_100000210380 [0,0,0,0,2,0|0,0,0]=2 835 B17R2.5711 CN(C)C(c1ccccc1)c2cccnc2 270004a_100102631434_100000735413 [0,0,0,0,2,0|2,0,0]=4 836 B17R2.5711 CN(C)C(c1cccnc1)c2ccccn2 270004a_100102631434_100011376182 [0,0,0,0,2,0|1,0,0]=3 837 B17R2.5711 CN(C)C(c1cccnc1)c2cnccn2 270004a_100102631434_100000732570 [0,0,0,0,2,0|2,0,0]=4 838 B17R2.5711 CN([13CH3])C(c1ccccc1)c2ccccc2 2230a_100103148541_200025704644 [0,0,0,0,2,0|1,0,0]=3 839 B17R2.5711 CN([13CH3])C(c1ccccc1)c2ccccc2 269982a_100103148541_200025704644 [0,0,0,0,2,0|1,0,0]=3 840 B19R2.2770 CCCCN(Cc1ccccn1)c2ccccc2 2230a_100000211623_100000721315 [1,0,0,0,0,1|2,0,0]=4 841 B19R2.2770 CCCCN(Cc1ccccn1)c2ccccc2 269982a_100000211623_100000721315 [1,0,0,0,0,1|2,0,0]=4 842 B19R2.2770 CCCCN(Cc1ccccn1)c2ccccc2 34a_100000211623_100000721315 [1,0,0,0,0,1|2,0,0]=4 843 B19R2.2540 CC(C)C[C@H](Nc1cccnn1)c2ccccc2 27a_100016987908_100016991348 [0,0,0,0,1,1|2,0,0]=4 844 B19R2.2540 CC(C)C[C@H](Nc1ccncn1)c2ccccc2 27a_100016987908_100000703185 [0,0,0,0,1,1|2,0,0]=4 845 B19R2.2540 CC(C)C[C@H](Nc1cnccn1)c2ccccc2 27a_100016987908_100000211759 [0,0,0,0,1,1|2,0,0]=4 846 B19R2.2540 CC(C)C[C@H](Nc1ncccn1)c2ccccc2 27a_100016987908_100000211032 [0,0,0,0,1,1|2,0,0]=4 847 B19R2.2540 CN(C)CC(Nc1cccnn1)c2ccccc2 27a_100000209865_100016991348 [0,0,0,0,1,1|1,0,0]=3 848 B19R2.2540 CN(C)CC(Nc1ccncn1)c2ccccc2 27a_100000209865_100000703185 [0,0,0,0,1,1|1,0,0]=3 849 B19R2.2540 CN(C)CC(Nc1cnccn1)c2ccccc2 27a_100000209865_100000211759 [0,0,0,0,1,1|1,0,0]=3 850 B19R2.2540 CN(C)CC(Nc1ncccn1)c2ccccc2 27a_100000209865_100000211032 [0,0,0,0,1,1|1,0,0]=3 851 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccco2 2230a_100015185865_100000210312 [0,0,0,0,1,1|2,0,0]=4 852 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccco2 269862a_100015185865_100000185833 [0,0,0,0,1,1|2,0,0]=4 853 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccco2 34a_100015185865_100000210312 [0,0,0,0,1,1|2,0,0]=4 854 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 2230a_100025760362_100000210312 [0,0,0,0,1,1|2,0,0]=4 855 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 269862a_100025760362_100000185833 [0,0,0,0,1,1|2,0,0]=4 856 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 270004a_100000210545_100011214959 [0,0,0,0,1,1|2,0,0]=4 857 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 34a_100025760362_100000210312 [0,0,0,0,1,1|2,0,0]=4 858 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000210312 [0,0,0,0,1,1|2,0,0]=4 859 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccoc2 269862a_100102946537_100000185833 [0,0,0,0,1,1|2,0,0]=4 860 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccoc2 34a_100102946537_100000210312 [0,0,0,0,1,1|2,0,0]=4 861 B19R2.8889 CC(C)CCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210626 [0,0,0,0,1,1|2,0,0]=4 862 B19R2.8889 CC(C)NCCC(c1ccccc1)c2ccco2 2230a_200000066865_100000210206 [0,0,0,0,1,1|2,0,0]=4 863 B19R2.8889 CC(C)NCCC(c1ccccc1)c2ccco2 34a_200000066865_100000210206 [0,0,0,0,1,1|2,0,0]=4 864 B19R2.8889 CN(C)CCNC(c1ccccc1)c2cccs2 270004a_100000210585_100011214959 [0,0,0,0,1,1|1,0,0]=3 865 B19R2.8889 CN(C)CCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000755713 [0,0,0,0,1,1|1,0,0]=3