0 B12R2.98 C1=CCN(C1)Cc2c[nH]cn2 269982a_100015195280_100000707719 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.98 C1=CCN(C1)Cc2ccn[nH]2 269982a_100015195280_100000728653 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.98 C1=CCN(C1)Cc2ccon2 269982a_100015195280_100000234950 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.98 C1=CCN(C1)Cc2ccsc2 269982a_100015195280_100011233845 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.98 C1=CCN(C1)Cc2cncs2 269982a_100015195280_100015185245 [0,0,0,0,0,0|1,1,2]=4 5 B12R2.98 C1=CCN(C1)Cc2cscn2 269982a_100015195280_100000205941 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.98 C1=CCN(C1)Cc2ncc[nH]2 269982a_100015195280_100016991755 [0,0,0,0,0,0|2,0,2]=4 7 B12R2.98 C1=CCN(C1)Cc2ncco2 269982a_100015195280_103436540062 [0,0,0,0,0,0|1,0,2]=3 8 B12R2.98 C1=CCN(C1)Cc2nccs2 269982a_100015195280_100015184050 [0,0,0,0,0,0|1,1,2]=4 9 B12R2.98 c1cc(co1)Sc2cnco2 62a_100011215275_100020591547 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.98 c1cc(co1)Sc2cnco2 62a_100020591547_100011215275 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.98 c1coc(c1)CN2CCCC2 270004a_100000188435_100000186105 [0,0,0,0,0,0|0,0,4]=4 12 B12R2.98 c1coc(c1)CN2CCSC2 270004a_100011215254_100000186105 [0,0,0,0,0,0|1,0,3]=4 13 B12R2.98 c1coc(c1)Sc2c[nH]cn2 62a_100000756875_100009814098 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.98 c1coc(c1)Sc2c[nH]cn2 62a_100009814098_100000756875 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.98 c1coc(c1)Sc2cc[nH]n2 62a_100000062575_100009814098 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.98 c1coc(c1)Sc2cc[nH]n2 62a_100009814098_100000062575 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.98 c1coc(c1)Sc2ccco2 62a_100009814098_100009814098 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.98 c1coc(c1)Sc2cccs2 62a_100009814098_100011215356 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.98 c1coc(c1)Sc2cccs2 62a_100011215356_100009814098 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.98 c1coc(c1)Sc2ccoc2 62a_100009814098_100011215275 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.98 c1coc(c1)Sc2ccoc2 62a_100011215275_100009814098 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.98 c1coc(c1)Sc2ccon2 62a_100009814098_100009818083 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.98 c1coc(c1)Sc2ccon2 62a_100009818083_100009814098 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.98 c1coc(c1)Sc2ccsc2 62a_100000738268_100009814098 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.98 c1coc(c1)Sc2ccsc2 62a_100009814098_100000738268 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.98 c1coc(c1)Sc2ccsn2 62a_100009814098_100009818082 [0,0,0,0,0,0|4,0,0]=4 27 B12R2.98 c1coc(c1)Sc2ccsn2 62a_100009818082_100009814098 [0,0,0,0,0,0|4,0,0]=4 28 B12R2.98 c1coc(c1)Sc2cn[nH]c2 62a_100000238712_100009814098 [0,0,0,0,0,0|4,0,0]=4 29 B12R2.98 c1coc(c1)Sc2cn[nH]c2 62a_100009814098_100000238712 [0,0,0,0,0,0|4,0,0]=4 30 B12R2.98 c1coc(c1)Sc2cnco2 62a_100009814098_100020591547 [0,0,0,0,0,0|4,0,0]=4 31 B12R2.98 c1coc(c1)Sc2cnco2 62a_100020591547_100009814098 [0,0,0,0,0,0|4,0,0]=4 32 B12R2.98 c1coc(c1)Sc2cncs2 62a_100009814098_100011934649 [0,0,0,0,0,0|4,0,0]=4 33 B12R2.98 c1coc(c1)Sc2cncs2 62a_100011934649_100009814098 [0,0,0,0,0,0|4,0,0]=4 34 B12R2.98 c1coc(c1)Sc2cnoc2 62a_100009814098_100009815712 [0,0,0,0,0,0|4,0,0]=4 35 B12R2.98 c1coc(c1)Sc2cnoc2 62a_100009815712_100009814098 [0,0,0,0,0,0|4,0,0]=4 36 B12R2.98 c1coc(c1)Sc2cnsc2 62a_100009814098_100009815736 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.98 c1coc(c1)Sc2cnsc2 62a_100009815736_100009814098 [0,0,0,0,0,0|4,0,0]=4 38 B12R2.98 c1coc(c1)Sc2cscn2 62a_100000751502_100009814098 [0,0,0,0,0,0|4,0,0]=4 39 B12R2.98 c1coc(c1)Sc2cscn2 62a_100009814098_100000751502 [0,0,0,0,0,0|4,0,0]=4 40 B12R2.98 c1coc(c1)Sc2ncc[nH]2 62a_100009814098_100025796157 [0,0,0,0,0,0|4,0,0]=4 41 B12R2.98 c1coc(c1)Sc2ncc[nH]2 62a_100025796157_100009814098 [0,0,0,0,0,0|4,0,0]=4 42 B12R2.98 c1coc(c1)Sc2ncco2 62a_100009814098_100011787736 [0,0,0,0,0,0|4,0,0]=4 43 B12R2.98 c1coc(c1)Sc2ncco2 62a_100011787736_100009814098 [0,0,0,0,0,0|4,0,0]=4 44 B12R2.98 c1coc(c1)Sc2nccs2 62a_100000211983_100009814098 [0,0,0,0,0,0|4,0,0]=4 45 B12R2.98 c1coc(c1)Sc2nccs2 62a_100009814098_100000211983 [0,0,0,0,0,0|4,0,0]=4 46 B12R2.98 c1coc(n1)Sc2ccoc2 62a_100011215275_100011787736 [0,0,0,0,0,0|4,0,0]=4 47 B12R2.98 c1coc(n1)Sc2ccoc2 62a_100011787736_100011215275 [0,0,0,0,0,0|4,0,0]=4 48 B12R2.98 c1coc(n1)Sc2ccsc2 62a_100000738268_100011787736 [0,0,0,0,0,0|4,0,0]=4 49 B12R2.98 c1coc(n1)Sc2ccsc2 62a_100011787736_100000738268 [0,0,0,0,0,0|4,0,0]=4 50 B12R2.98 c1csc(c1)Sc2cccs2 62a_100011215356_100011215356 [0,0,0,0,0,0|3,1,0]=4 51 B12R2.98 c1csc(c1)Sc2ccoc2 62a_100011215275_100011215356 [0,0,0,0,0,0|3,1,0]=4 52 B12R2.98 c1csc(c1)Sc2ccoc2 62a_100011215356_100011215275 [0,0,0,0,0,0|3,1,0]=4 53 B12R2.98 c1csc(c1)Sc2ccsc2 62a_100000738268_100011215356 [0,0,0,0,0,0|3,1,0]=4 54 B12R2.98 c1csc(c1)Sc2ccsc2 62a_100011215356_100000738268 [0,0,0,0,0,0|3,1,0]=4 55 B12R2.98 c1csc(c1)Sc2cnco2 62a_100011215356_100020591547 [0,0,0,0,0,0|4,0,0]=4 56 B12R2.98 c1csc(c1)Sc2cnco2 62a_100020591547_100011215356 [0,0,0,0,0,0|4,0,0]=4 57 B12R2.98 c1csc(c1)Sc2ncco2 62a_100011215356_100011787736 [0,0,0,0,0,0|4,0,0]=4 58 B12R2.98 c1csc(c1)Sc2ncco2 62a_100011787736_100011215356 [0,0,0,0,0,0|4,0,0]=4 59 B12R2.98 c1ncc(o1)Sc2ccsc2 62a_100000738268_100020591547 [0,0,0,0,0,0|4,0,0]=4 60 B12R2.98 c1ncc(o1)Sc2ccsc2 62a_100020591547_100000738268 [0,0,0,0,0,0|4,0,0]=4 61 B13R2.29 Brc1ccsc1Sc2ccco2 62a_100009814098_100012361411 [0,1,0,0,0,0|3,0,0]=4 62 B13R2.29 Brc1ccsc1Sc2ccco2 62a_100012361411_100009814098 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.29 Brc1cscc1Sc2ccco2 62a_100009814098_100010143727 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.29 Brc1cscc1Sc2ccco2 62a_100010143727_100009814098 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.29 Cc1ccsc1Sc2ccco2 62a_100009814098_100010247149 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.29 Cc1ccsc1Sc2ccco2 62a_100010247149_100009814098 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.29 Cc1cscc1Sc2ccco2 62a_100000759966_100009814098 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.29 Cc1cscc1Sc2ccco2 62a_100009814098_100000759966 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.29 Cc1sccc1Sc2ccco2 62a_100000684487_100009814098 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.29 Cc1sccc1Sc2ccco2 62a_100009814098_100000684487 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.142 Brc1cc(on1)CN2CC=CC2 269982a_100015195280_100000709089 [0,1,0,0,0,0|1,0,2]=4 72 B13R2.142 Brc1ccc(s1)CN2CC=CC2 269982a_100015195280_100000708592 [0,1,0,0,0,0|0,1,2]=4 73 B13R2.142 Brc1ccc(s1)Sc2ccco2 62a_100009814098_100010197418 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.142 Brc1ccc(s1)Sc2ccco2 62a_100010197418_100009814098 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.142 Brc1csc(c1)CN2CC=CC2 269982a_100015195280_100000746031 [0,1,0,0,0,0|0,1,2]=4 76 B13R2.142 Cc1cc(cs1)Sc2ccco2 62a_100000759034_100009814098 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.142 Cc1cc(cs1)Sc2ccco2 62a_100009814098_100000759034 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.142 Cc1cc(on1)CN2CC=CC2 269982a_100015195280_100000707947 [0,1,0,0,0,0|1,0,2]=4 79 B13R2.142 Cc1ccc(s1)Sc2ccco2 62a_100000031368_100009814098 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.142 Cc1ccc(s1)Sc2ccco2 62a_100009814098_100000031368 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.142 Cc1cn(nn1)Cc2ncco2 274090a_103436540062_200000242740 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.142 Cc1csc(c1)Sc2ccco2 62a_100009814098_100009876951 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.142 Cc1csc(c1)Sc2ccco2 62a_100009876951_100009814098 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.142 Cc1noc(n1)Cn2cccc2 270196a_100000212224_100011196272 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.142 Cc1noc(n1)Cn2cccn2 270196a_100000212224_100000233772 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.142 Cc1noc(n1)Cn2ccnc2 270196a_100000212224_100000739072 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.142 Clc1ccc(s1)CN2CC=CC2 269982a_100015195280_100000185097 [0,1,0,0,0,0|0,1,2]=4 88 B13R2.142 Cn1cc(nn1)Cn2cccc2 274090a_200000210301_100011325197 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.142 [13CH3]n1cc(nn1)Cn2cccc2 274090a_200025704644_100011325197 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [0,0,1,0,0,0|0,0,2]=3 91 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [0,0,1,0,0,0|1,0,2]=4 92 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [0,0,1,0,0,0|0,0,2]=3 93 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [0,0,1,0,0,0|0,0,2]=3 94 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [0,0,1,0,0,0|0,0,2]=3 95 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [0,0,1,0,0,0|0,0,2]=3 96 B11R1.4 C=CCCNCc1cccs1 207a_100015191253_100000209959 [0,0,1,0,0,0|0,1,2]=4 97 B11R1.4 C=CCCNCc1cccs1 2230a_100000211653_100000754431 [0,0,1,0,0,0|0,1,2]=4 98 B11R1.4 C=CCCNCc1cccs1 270004a_100015191253_100000209959 [0,0,1,0,0,0|0,1,2]=4 99 B11R1.4 C=CCCNCc1cnco1 270004a_100015191253_100000064291 [0,0,1,0,0,0|1,0,2]=4 100 B11R1.4 C=CCCNCc1ncco1 2230a_100015191253_103436540062 [0,0,1,0,0,0|1,0,2]=4 101 B11R1.4 C=CCCNCc1ncco1 2230a_100016994969_100000754431 [0,0,1,0,0,0|1,0,2]=4 102 B11R1.4 C=CCCNCc1ncco1 270004a_100015191253_100000064290 [0,0,1,0,0,0|1,0,2]=4 103 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [0,0,1,0,0,0|1,0,2]=4 104 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [0,0,1,0,0,0|2,0,1]=4 105 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.4 C=CCNCCn1cccc1 2230a_100020586998_200009811947 [0,0,1,0,0,0|1,0,2]=4 107 B11R1.4 C=CCNCCn1cccc1 34a_100011368172_100015514636 [0,0,1,0,0,0|1,0,2]=4 108 B11R1.4 C=CCOCCn1cccc1 34a_100000179382_100015514636 [0,0,1,0,0,0|0,0,2]=3 109 B11R1.4 C=CCOCCn1cccn1 34a_100000743371_100015514636 [0,0,1,0,0,0|1,0,2]=4 110 B11R1.4 C=CCOCCn1cccn1 34a_200000210373_100015204718 [0,0,1,0,0,0|1,0,2]=4 111 B11R1.4 C=CCOCCn1ccnc1 34a_100000719764_100015514636 [0,0,1,0,0,0|1,0,2]=4 112 B11R1.4 C=CCSCCn1cccc1 62a_100000210623_200000035178 [0,0,1,0,0,0|0,1,2]=4 113 B11R1.4 C=CCSCCn1cccc1 62a_200009811947_100000210623 [0,0,1,0,0,0|0,1,2]=4 114 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [0,0,1,0,0,0|0,0,2]=3 115 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [0,0,1,0,0,0|0,0,2]=3 116 B11R1.4 CC=CCNCc1cccs1 2230a_100000211653_100000070051 [0,0,1,0,0,0|0,1,2]=4 117 B11R1.4 CC=CCNCc1ncco1 2230a_100016994969_100000070051 [0,0,1,0,0,0|1,0,2]=4 118 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [0,0,1,0,0,0|1,0,2]=4 119 B11R1.4 O=CCOCCn1cccc1 34a_100000179382_200009817547 [0,0,1,0,0,0|1,0,2]=4 120 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,0,1,0,0,0|2,0,1]=4 121 B11R1.30 C=CCC(=O)Cn1cccc1 1458a_100011196272_100000210623 [0,0,1,0,0,0|0,0,2]=3 122 B11R1.30 C=CCC(=O)Cn1cccn1 1458a_100000233772_100000210623 [0,0,1,0,0,0|1,0,2]=4 123 B11R1.30 C=CCC(=O)Cn1ccnc1 1458a_100000739072_100000210623 [0,0,1,0,0,0|1,0,2]=4 124 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [0,0,1,0,0,0|0,0,2]=3 125 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [0,0,1,0,0,0|0,0,2]=3 126 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [0,0,1,0,0,0|0,0,2]=3 127 B11R1.30 C=CCN(C)Cc1cccs1 2230a_100000184426_100000210623 [0,0,1,0,0,0|0,1,2]=4 128 B11R1.30 C=CCN(C)Cc1cccs1 269982a_100000184426_100000210623 [0,0,1,0,0,0|0,1,2]=4 129 B11R1.30 C=CCN(C)Cc1cccs1 270004a_100000225617_100000209959 [0,0,1,0,0,0|0,1,2]=4 130 B11R1.30 C=CCN(C)Cc1cnco1 270004a_100000225617_100000064291 [0,0,1,0,0,0|1,0,2]=4 131 B11R1.30 C=CCN(C)Cc1ncco1 2230a_100000225617_103436540062 [0,0,1,0,0,0|1,0,2]=4 132 B11R1.30 C=CCN(C)Cc1ncco1 269982a_100000225617_103436540062 [0,0,1,0,0,0|1,0,2]=4 133 B11R1.30 C=CCN(C)Cc1ncco1 270004a_100000225617_100000064290 [0,0,1,0,0,0|1,0,2]=4 134 B11R1.30 C=COC(=O)CN1CC=CC1 269982a_100015195280_100000036128 [0,0,1,0,0,0|1,0,2]=4 135 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,0,1,0,0,0|1,0,2]=4 136 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,0,1,0,0,0|1,0,2]=4 137 B11R2.2 c1cc(c[nH]1)c2cnco2 271570a_100000102155_100020591547 [0,0,0,0,1,0|3,0,0]=4 138 B11R2.2 c1cc(co1)c2cnco2 271570a_100011218838_100020591547 [0,0,0,0,1,0|3,0,0]=4 139 B11R2.2 c1coc(c1)c2c[nH]cn2 271570a_100000750936_100000756875 [0,0,0,0,1,0|3,0,0]=4 140 B11R2.2 c1coc(c1)c2cc[nH]c2 271570a_100000102155_100009814098 [0,0,0,0,1,0|2,0,0]=3 141 B11R2.2 c1coc(c1)c2cc[nH]n2 271570a_100000062414_100009814098 [0,0,0,0,1,0|3,0,0]=4 142 B11R2.2 c1coc(c1)c2cc[nH]n2 271570a_100000750936_100000062575 [0,0,0,0,1,0|3,0,0]=4 143 B11R2.2 c1coc(c1)c2ccco2 271570a_100000750936_100009814098 [0,0,0,0,1,0|2,0,0]=3 144 B11R2.2 c1coc(c1)c2cccs2 271570a_100000742291_100009814098 [0,0,0,0,1,0|2,0,0]=3 145 B11R2.2 c1coc(c1)c2cccs2 271570a_100000750936_100011215356 [0,0,0,0,1,0|2,0,0]=3 146 B11R2.2 c1coc(c1)c2ccoc2 271570a_100000750936_100011215275 [0,0,0,0,1,0|2,0,0]=3 147 B11R2.2 c1coc(c1)c2ccoc2 271570a_100011218838_100009814098 [0,0,0,0,1,0|2,0,0]=3 148 B11R2.2 c1coc(c1)c2ccsc2 271570a_100000750936_100000738268 [0,0,0,0,1,0|2,0,0]=3 149 B11R2.2 c1coc(c1)c2ccsc2 271570a_100011934443_100009814098 [0,0,0,0,1,0|2,0,0]=3 150 B11R2.2 c1coc(c1)c2ccsn2 271570a_100000750936_100009818082 [0,0,0,0,1,0|3,0,0]=4 151 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000041997_100009814098 [0,0,0,0,1,0|3,0,0]=4 152 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000750936_100000238712 [0,0,0,0,1,0|3,0,0]=4 153 B11R2.2 c1coc(c1)c2cnco2 271570a_100000750936_100020591547 [0,0,0,0,1,0|3,0,0]=4 154 B11R2.2 c1coc(c1)c2cncs2 271570a_100000750936_100011934649 [0,0,0,0,1,0|3,0,0]=4 155 B11R2.2 c1coc(c1)c2cncs2 271570a_100010231675_100009814098 [0,0,0,0,1,0|3,0,0]=4 156 B11R2.2 c1coc(c1)c2cnoc2 271570a_100000750936_100009815712 [0,0,0,0,1,0|3,0,0]=4 157 B11R2.2 c1coc(c1)c2cnsc2 271570a_100000750936_100009815736 [0,0,0,0,1,0|3,0,0]=4 158 B11R2.2 c1coc(c1)c2cscn2 271570a_100000750936_100000751502 [0,0,0,0,1,0|3,0,0]=4 159 B11R2.2 c1coc(c1)c2ncc[nH]2 271570a_100000750936_100025796157 [0,0,0,0,1,0|3,0,0]=4 160 B11R2.2 c1coc(c1)c2ncc[nH]2 271570a_100016988920_100009814098 [0,0,0,0,1,0|3,0,0]=4 161 B11R2.2 c1coc(c1)c2ncco2 271570a_100000750936_100011787736 [0,0,0,0,1,0|3,0,0]=4 162 B11R2.2 c1coc(c1)c2nccs2 271570a_100000750936_100000211983 [0,0,0,0,1,0|3,0,0]=4 163 B11R2.2 c1coc(n1)c2cc[nH]c2 271570a_100000102155_100011787736 [0,0,0,0,1,0|3,0,0]=4 164 B11R2.2 c1coc(n1)c2ccoc2 271570a_100011218838_100011787736 [0,0,0,0,1,0|3,0,0]=4 165 B11R2.2 c1coc(n1)c2ccsc2 271570a_100011934443_100011787736 [0,0,0,0,1,0|3,0,0]=4 166 B11R2.2 c1csc(c1)c2cc[nH]c2 271570a_100000102155_100011215356 [0,0,0,0,1,0|2,1,0]=4 167 B11R2.2 c1csc(c1)c2cccs2 271570a_100000742291_100011215356 [0,0,0,0,1,0|2,1,0]=4 168 B11R2.2 c1csc(c1)c2ccoc2 271570a_100000742291_100011215275 [0,0,0,0,1,0|2,1,0]=4 169 B11R2.2 c1csc(c1)c2ccoc2 271570a_100011218838_100011215356 [0,0,0,0,1,0|2,1,0]=4 170 B11R2.2 c1csc(c1)c2ccsc2 271570a_100000742291_100000738268 [0,0,0,0,1,0|2,1,0]=4 171 B11R2.2 c1csc(c1)c2ccsc2 271570a_100011934443_100011215356 [0,0,0,0,1,0|2,1,0]=4 172 B11R2.2 c1csc(c1)c2cnco2 271570a_100000742291_100020591547 [0,0,0,0,1,0|3,0,0]=4 173 B11R2.2 c1csc(c1)c2ncco2 271570a_100000742291_100011787736 [0,0,0,0,1,0|3,0,0]=4 174 B11R2.2 c1ncc(o1)c2ccsc2 271570a_100011934443_100020591547 [0,0,0,0,1,0|3,0,0]=4 175 B13R2.64 C1=CCN(C1)Cc2ccccc2 269982a_100015195280_100000211182 [0,0,0,0,0,1|1,0,2]=4 176 B13R2.64 C1=CCN(C1)Cc2ccccn2 269982a_100015195280_100000721315 [0,0,0,0,0,1|1,0,2]=4 177 B13R2.64 C1=CCN(C1)Cc2cccnc2 269982a_100015195280_100000733263 [0,0,0,0,0,1|1,0,2]=4 178 B13R2.64 C1=CCN(C1)Cc2ccncc2 269982a_100015195280_100015193705 [0,0,0,0,0,1|1,0,2]=4 179 B13R2.64 C1=CCN(C1)Cc2cnccn2 269982a_100015195280_100016995436 [0,0,0,0,0,1|1,0,2]=4 180 B13R2.64 C1=CCN(C1)Cc2ncccn2 269982a_100015195280_100000703007 [0,0,0,0,0,1|1,0,2]=4 181 B13R2.64 C1=CCN(CC1)Cc2ccco2 270004a_100000698166_100000186105 [0,0,0,0,0,1|0,0,2]=3 182 B13R2.64 C1=CCN(CC1)Cc2cccs2 270004a_100000698166_100000209959 [0,0,0,0,0,1|0,1,2]=4 183 B13R2.64 C1=CCN(CC1)Cc2cnco2 270004a_100000698166_100000064291 [0,0,0,0,0,1|1,0,2]=4 184 B13R2.64 C1=CCN(CC1)Cc2ncco2 2230a_100000698166_103436540062 [0,0,0,0,0,1|1,0,2]=4 185 B13R2.64 C1=CCN(CC1)Cc2ncco2 269982a_100000698166_103436540062 [0,0,0,0,0,1|1,0,2]=4 186 B13R2.64 C1=CCN(CC1)Cc2ncco2 270004a_100000698166_100000064290 [0,0,0,0,0,1|1,0,2]=4 187 B13R2.64 C1=CCN(CC1)Cc2ncco2 34a_100000698166_103436540062 [0,0,0,0,0,1|1,0,2]=4 188 B13R2.64 c1cc(ccn1)Sc2cnco2 62a_100000728582_100020591547 [0,0,0,0,0,1|3,0,0]=4 189 B13R2.64 c1cc(ccn1)Sc2cnco2 62a_100020591547_100000728582 [0,0,0,0,0,1|3,0,0]=4 190 B13R2.64 c1cc(ccn1)Sc2ncco2 62a_100000728582_100011787736 [0,0,0,0,0,1|3,0,0]=4 191 B13R2.64 c1cc(ccn1)Sc2ncco2 62a_100011787736_100000728582 [0,0,0,0,0,1|3,0,0]=4 192 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100000719477_100009814098 [0,0,0,0,0,1|2,0,0]=3 193 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100009814098_100000041952 [0,0,0,0,0,1|2,0,0]=3 194 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100000719477_100011215356 [0,0,0,0,0,1|2,1,0]=4 195 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100011215356_100000041952 [0,0,0,0,0,1|2,1,0]=4 196 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100000719477_100020591547 [0,0,0,0,0,1|3,0,0]=4 197 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100020591547_100000041952 [0,0,0,0,0,1|3,0,0]=4 198 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100000719477_100011787736 [0,0,0,0,0,1|3,0,0]=4 199 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100011787736_100000041952 [0,0,0,0,0,1|3,0,0]=4 200 B13R2.64 c1ccc(nc1)Sc2ccco2 62a_100009814098_100011216584 [0,0,0,0,0,1|2,0,0]=3 201 B13R2.64 c1ccc(nc1)Sc2ccco2 62a_100011216584_100009814098 [0,0,0,0,0,1|2,0,0]=3 202 B13R2.64 c1ccc(nc1)Sc2cccs2 62a_100011215356_100011216584 [0,0,0,0,0,1|2,1,0]=4 203 B13R2.64 c1ccc(nc1)Sc2cccs2 62a_100011216584_100011215356 [0,0,0,0,0,1|2,1,0]=4 204 B13R2.64 c1ccc(nc1)Sc2cnco2 62a_100011216584_100020591547 [0,0,0,0,0,1|3,0,0]=4 205 B13R2.64 c1ccc(nc1)Sc2cnco2 62a_100020591547_100011216584 [0,0,0,0,0,1|3,0,0]=4 206 B13R2.64 c1ccc(nc1)Sc2ncco2 62a_100011216584_100011787736 [0,0,0,0,0,1|3,0,0]=4 207 B13R2.64 c1ccc(nc1)Sc2ncco2 62a_100011787736_100011216584 [0,0,0,0,0,1|3,0,0]=4 208 B13R2.64 c1cnc(nc1)Sc2ccco2 62a_100000211032_100009814098 [0,0,0,0,0,1|3,0,0]=4 209 B13R2.64 c1cnc(nc1)Sc2ccco2 62a_100009814098_100000211032 [0,0,0,0,0,1|3,0,0]=4 210 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100000210063_100009814098 [0,0,0,0,0,1|2,0,0]=3 211 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100009814098_100000210063 [0,0,0,0,0,1|2,0,0]=3 212 B13R2.64 c1cncc(c1)Sc2cccs2 62a_100000210063_100011215356 [0,0,0,0,0,1|2,1,0]=4 213 B13R2.64 c1cncc(c1)Sc2cccs2 62a_100011215356_100000210063 [0,0,0,0,0,1|2,1,0]=4 214 B13R2.64 c1cncc(c1)Sc2cnco2 62a_100000210063_100020591547 [0,0,0,0,0,1|3,0,0]=4 215 B13R2.64 c1cncc(c1)Sc2cnco2 62a_100020591547_100000210063 [0,0,0,0,0,1|3,0,0]=4 216 B13R2.64 c1cncc(c1)Sc2ncco2 62a_100000210063_100011787736 [0,0,0,0,0,1|3,0,0]=4 217 B13R2.64 c1cncc(c1)Sc2ncco2 62a_100011787736_100000210063 [0,0,0,0,0,1|3,0,0]=4 218 B13R2.64 c1cnnc(c1)Sc2ccco2 62a_100009814098_100016991348 [0,0,0,0,0,1|3,0,0]=4 219 B13R2.64 c1cnnc(c1)Sc2ccco2 62a_100016991348_100009814098 [0,0,0,0,0,1|3,0,0]=4 220 B13R2.64 c1coc(c1)Sc2ccncc2 62a_100000728582_100009814098 [0,0,0,0,0,1|2,0,0]=3 221 B13R2.64 c1coc(c1)Sc2ccncc2 62a_100009814098_100000728582 [0,0,0,0,0,1|2,0,0]=3 222 B13R2.64 c1coc(c1)Sc2ccncn2 62a_100000703185_100009814098 [0,0,0,0,0,1|3,0,0]=4 223 B13R2.64 c1coc(c1)Sc2ccncn2 62a_100009814098_100000703185 [0,0,0,0,0,1|3,0,0]=4 224 B13R2.64 c1coc(c1)Sc2ccnnc2 62a_100000732662_100009814098 [0,0,0,0,0,1|3,0,0]=4 225 B13R2.64 c1coc(c1)Sc2ccnnc2 62a_100009814098_100000732662 [0,0,0,0,0,1|3,0,0]=4 226 B13R2.64 c1coc(c1)Sc2cnccn2 62a_100000211759_100009814098 [0,0,0,0,0,1|3,0,0]=4 227 B13R2.64 c1coc(c1)Sc2cnccn2 62a_100009814098_100000211759 [0,0,0,0,0,1|3,0,0]=4 228 B13R2.64 c1coc(c1)Sc2cncnc2 62a_100009814098_100011206942 [0,0,0,0,0,1|3,0,0]=4 229 B13R2.64 c1coc(c1)Sc2cncnc2 62a_100011206942_100009814098 [0,0,0,0,0,1|3,0,0]=4 230 B13R2.64 c1csc(c1)Sc2ccncc2 62a_100000728582_100011215356 [0,0,0,0,0,1|2,1,0]=4 231 B13R2.64 c1csc(c1)Sc2ccncc2 62a_100011215356_100000728582 [0,0,0,0,0,1|2,1,0]=4 232 B13R2.183 C1=CCC(C1)NCc2ccco2 207a_100015188752_100000186105 [0,0,0,0,0,1|1,0,2]=4 233 B13R2.183 C1=CCC(C1)NCc2ccco2 270004a_100015188752_100000186105 [0,0,0,0,0,1|1,0,2]=4 234 B13R2.183 C1=CCN(C1)CCc2cccs2 269982a_100015195280_100000748579 [0,0,0,0,0,1|0,1,2]=4 235 B13R2.183 C1=CCN(C1)CCn2cccc2 269982a_100015195280_200000035178 [0,0,0,0,0,1|2,0,1]=4 236 B13R2.183 c1coc(c1)SCc2c[nH]cn2 62a_100000707719_100009814098 [0,0,0,0,0,1|3,0,0]=4 237 B13R2.183 c1coc(c1)SCc2c[nH]cn2 62a_100009814098_100000707719 [0,0,0,0,0,1|3,0,0]=4 238 B13R2.183 c1coc(c1)SCc2ccn[nH]2 62a_100000728653_100009814098 [0,0,0,0,0,1|3,0,0]=4 239 B13R2.183 c1coc(c1)SCc2ccn[nH]2 62a_100009814098_100000728653 [0,0,0,0,0,1|3,0,0]=4 240 B13R2.183 c1coc(c1)SCc2ccon2 62a_100000234950_100009814098 [0,0,0,0,0,1|3,0,0]=4 241 B13R2.183 c1coc(c1)SCc2ccon2 62a_100009814098_100000234950 [0,0,0,0,0,1|3,0,0]=4 242 B13R2.183 c1coc(c1)SCc2ccsc2 62a_100009814098_100011233845 [0,0,0,0,0,1|2,0,0]=3 243 B13R2.183 c1coc(c1)SCc2ccsc2 62a_100011261437_100009814098 [0,0,0,0,0,1|2,0,0]=3 244 B13R2.183 c1coc(c1)SCc2cncs2 62a_100009814098_100015185245 [0,0,0,0,0,1|3,0,0]=4 245 B13R2.183 c1coc(c1)SCc2cncs2 62a_100015185245_100009814098 [0,0,0,0,0,1|3,0,0]=4 246 B13R2.183 c1coc(c1)SCc2cscn2 62a_100000205941_100009814098 [0,0,0,0,0,1|3,0,0]=4 247 B13R2.183 c1coc(c1)SCc2cscn2 62a_100009814098_100000205941 [0,0,0,0,0,1|3,0,0]=4 248 B13R2.183 c1coc(c1)SCc2ncc[nH]2 62a_100009814098_100016991755 [0,0,0,0,0,1|3,0,0]=4 249 B13R2.183 c1coc(c1)SCc2ncc[nH]2 62a_100016991755_100009814098 [0,0,0,0,0,1|3,0,0]=4 250 B13R2.183 c1coc(c1)SCc2ncco2 62a_100009814098_103436540062 [0,0,0,0,0,1|3,0,0]=4 251 B13R2.183 c1coc(c1)SCc2ncco2 62a_103436540062_100009814098 [0,0,0,0,0,1|3,0,0]=4 252 B13R2.183 c1coc(c1)SCc2nccs2 62a_100009814098_100015184050 [0,0,0,0,0,1|3,0,0]=4 253 B13R2.183 c1coc(c1)SCc2nccs2 62a_100015184050_100009814098 [0,0,0,0,0,1|3,0,0]=4 254 B13R2.183 c1coc(c1)SCn2cncn2 62a_100009814098_200020645497 [0,0,0,0,0,1|2,0,0]=3 255 B13R2.183 c1coc(c1)SCn2cncn2 62a_200020645497_100009814098 [0,0,0,0,0,1|2,0,0]=3 256 B13R2.183 c1coc(n1)COc2ccsc2 34a_100000106738_103436540062 [0,0,0,0,0,1|3,0,0]=4 257 B13R2.183 c1coc(n1)COc2ccsc2 7a_100000106738_103436540062 [0,0,0,0,0,1|3,0,0]=4 258 B13R2.183 c1coc(n1)CSc2ccoc2 62a_100011215275_103436540062 [0,0,0,0,0,1|3,0,0]=4 259 B13R2.183 c1coc(n1)CSc2ccoc2 62a_103436540062_100011215275 [0,0,0,0,0,1|3,0,0]=4 260 B13R2.183 c1coc(n1)CSc2ccsc2 62a_100000738268_103436540062 [0,0,0,0,0,1|3,0,0]=4 261 B13R2.183 c1coc(n1)CSc2ccsc2 62a_103436540062_100000738268 [0,0,0,0,0,1|3,0,0]=4 262 B13R2.183 c1coc(n1)SCc2ccsc2 62a_100011261437_100011787736 [0,0,0,0,0,1|3,0,0]=4 263 B13R2.183 c1coc(n1)SCc2ccsc2 62a_100011787736_100011233845 [0,0,0,0,0,1|3,0,0]=4 264 B13R2.183 c1coc(n1)SCn2cncn2 62a_100011787736_200020645497 [0,0,0,0,0,1|3,0,0]=4 265 B13R2.183 c1coc(n1)SCn2cncn2 62a_200020645497_100011787736 [0,0,0,0,0,1|3,0,0]=4 266 B13R2.183 c1csc(c1)SCc2ccsc2 62a_100011215356_100011233845 [0,0,0,0,0,1|2,1,0]=4 267 B13R2.183 c1csc(c1)SCc2ccsc2 62a_100011261437_100011215356 [0,0,0,0,0,1|2,1,0]=4 268 B13R2.183 c1csc(c1)SCc2ncco2 62a_100011215356_103436540062 [0,0,0,0,0,1|3,0,0]=4 269 B13R2.183 c1csc(c1)SCc2ncco2 62a_103436540062_100011215356 [0,0,0,0,0,1|3,0,0]=4 270 B13R2.183 c1csc(c1)SCn2cncn2 62a_100011215356_200020645497 [0,0,0,0,0,1|2,1,0]=4 271 B13R2.183 c1csc(c1)SCn2cncn2 62a_200020645497_100011215356 [0,0,0,0,0,1|2,1,0]=4 272 B13R2.183 c1ncc(o1)SCc2ccsc2 62a_100011261437_100020591547 [0,0,0,0,0,1|3,0,0]=4 273 B13R2.183 c1ncc(o1)SCc2ccsc2 62a_100020591547_100011233845 [0,0,0,0,0,1|3,0,0]=4 274 B13R2.183 c1ncn(n1)CSc2cnco2 62a_100020591547_200020645497 [0,0,0,0,0,1|3,0,0]=4 275 B13R2.183 c1ncn(n1)CSc2cnco2 62a_200020645497_100020591547 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [1,0,1,0,0,0|0,0,1]=3 277 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [1,0,1,0,0,0|0,0,1]=3 278 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [1,0,1,0,0,0|0,0,1]=3 279 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [1,0,1,0,0,0|0,1,1]=4 280 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [1,0,1,0,0,0|0,1,1]=4 281 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [1,0,1,0,0,0|1,0,1]=4 282 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [1,0,1,0,0,0|1,0,1]=4 283 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [1,0,1,0,0,0|1,0,1]=4 285 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [1,0,1,0,0,0|1,0,1]=4 286 B10R1.21 C=CCOCn1cccn1 34a_100000731028_100015514636 [1,0,1,0,0,0|1,0,1]=4 287 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,0,1,0,0,0|1,0,1]=4 288 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,0,1,0,0,0|1,0,1]=4 289 B12R1.7 C/C=C/CNCc1ccc(o1)Br 34a_100000708654_100102629194 [0,1,1,0,0,0|0,0,2]=4 290 B12R1.7 C/C=C/CNCc1ccc(o1)C 34a_100011194323_100102629194 [0,1,1,0,0,0|0,0,2]=4 291 B12R1.7 C=CCCNCc1cc(co1)Br 270004a_100015191253_100000747035 [0,1,1,0,0,0|0,0,2]=4 292 B12R1.7 C=CCCNCc1ccc(o1)Br 207a_100015191253_100000185145 [0,1,1,0,0,0|0,0,2]=4 293 B12R1.7 C=CCCNCc1ccc(o1)Br 270004a_100015191253_100000185145 [0,1,1,0,0,0|0,0,2]=4 294 B12R1.7 C=CCCNCc1ccc(o1)Br 34a_100000708654_100000754431 [0,1,1,0,0,0|0,0,2]=4 295 B12R1.7 C=CCCNCc1ccc(o1)C 207a_100015191253_100000183696 [0,1,1,0,0,0|0,0,2]=4 296 B12R1.7 C=CCCNCc1ccc(o1)C 270004a_100015191253_100000183696 [0,1,1,0,0,0|0,0,2]=4 297 B12R1.7 C=CCCNCc1ccc(o1)C 34a_100011194323_100000754431 [0,1,1,0,0,0|0,0,2]=4 298 B12R1.7 C=CCCNCc1ccc(o1)Cl 207a_100015191253_100000188459 [0,1,1,0,0,0|0,0,2]=4 299 B12R1.7 C=CCCNCc1ccc(o1)Cl 270004a_100015191253_100000188459 [0,1,1,0,0,0|0,0,2]=4 300 B12R1.7 C=CCCNCc1ccc(o1)I 207a_100015191253_100000186757 [0,1,1,0,0,0|0,0,2]=4 301 B12R1.7 CC=CCNCc1ccc(o1)Br 34a_100000708654_100000070051 [0,1,1,0,0,0|0,0,2]=4 302 B12R1.7 CC=CCNCc1ccc(o1)C 34a_100011194323_100000070051 [0,1,1,0,0,0|0,0,2]=4 303 B12R1.35 C=CCCN[C@H](C)c1ccco1 2230a_100160469435_100000754431 [0,1,1,0,0,0|0,0,2]=4 304 B12R1.35 CC=CCN[C@H](C)c1ccco1 2230a_100160469435_100000070051 [0,1,1,0,0,0|0,0,2]=4 305 B12R1.37 C/C=C/CNCCc1ccco1 34a_100000694680_100102629194 [0,1,1,0,0,0|0,0,2]=4 306 B12R1.37 C/C=C/COCCn1cccc1 34a_100000179382_100102629194 [0,1,1,0,0,0|0,0,2]=4 307 B12R1.37 C=CCCCNCc1ccco1 2230a_100000185738_100011713584 [0,1,1,0,0,0|0,0,2]=4 308 B12R1.37 C=CCCCNCc1ccco1 270004a_100000700776_100000186105 [0,1,1,0,0,0|0,0,2]=4 309 B12R1.37 C=CCCCNCc1ccco1 34a_100000185738_100000757094 [0,1,1,0,0,0|0,0,2]=4 310 B12R1.37 C=CCCNCCc1ccco1 2230a_100000694680_100000754431 [0,1,1,0,0,0|0,0,2]=4 311 B12R1.37 C=CCCNCCc1ccco1 34a_100000694680_100000754431 [0,1,1,0,0,0|0,0,2]=4 312 B12R1.37 C=CCCOCCn1cccc1 34a_100000179382_100000754431 [0,1,1,0,0,0|0,0,2]=4 313 B12R1.37 C=CCOCCCn1cccc1 34a_100000179399_100015514636 [0,1,1,0,0,0|0,0,2]=4 314 B12R1.37 C=CCOCCCn1cccc1 34a_200000210373_200009814367 [0,1,1,0,0,0|0,0,2]=4 315 B12R1.37 C=CCOCCCn1cccc1 7a_100000179399_100015514636 [0,1,1,0,0,0|0,0,2]=4 316 B12R1.37 C=COCCNCc1ccco1 2230a_100000185738_100000039644 [0,1,1,0,0,0|0,0,2]=4 317 B12R1.37 C=COCCNCc1ccco1 34a_100000185738_100000039644 [0,1,1,0,0,0|0,0,2]=4 318 B12R1.37 CC/C=C\CNCc1ccco1 2230a_100000185738_100103147603 [0,1,1,0,0,0|0,0,2]=4 319 B12R1.37 CC/C=C\CNCc1ccco1 34a_100000185738_100103147603 [0,1,1,0,0,0|0,0,2]=4 320 B12R1.37 CC=CCNCCc1ccco1 2230a_100000694680_100000070051 [0,1,1,0,0,0|0,0,2]=4 321 B12R1.37 CC=CCNCCc1ccco1 34a_100000694680_100000070051 [0,1,1,0,0,0|0,0,2]=4 322 B12R1.37 CC=CCOCCn1cccc1 34a_100000179382_100000070051 [0,1,1,0,0,0|0,0,2]=4 323 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,1,1,0,0,0|1,0,1]=4 324 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210193 [0,1,1,0,0,0|1,0,1]=4 325 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210193 [0,1,1,0,0,0|1,0,1]=4 326 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210193 [0,1,1,0,0,0|1,0,1]=4 327 B12R1.51 C=CCC(=O)NCc1ccco1 11a_100000185738_100000210193 [0,1,1,0,0,0|0,0,1]=3 328 B12R1.51 C=CCC(=O)NCc1ccco1 1626a_100000185738_100000210193 [0,1,1,0,0,0|0,0,1]=3 329 B12R1.51 C=CCC(=O)NCc1ccco1 240690a_100000185738_100000210193 [0,1,1,0,0,0|0,0,1]=3 330 B12R1.51 C=CCC(=O)NCc1ccco1 527a_100000185738_100000210193 [0,1,1,0,0,0|0,0,1]=3 331 B12R1.51 C=CCC(=O)NCc1cccs1 11a_100000211653_100000210193 [0,1,1,0,0,0|0,1,1]=4 332 B12R1.51 C=CCC(=O)NCc1cccs1 1626a_100000211653_100000210193 [0,1,1,0,0,0|0,1,1]=4 333 B12R1.51 C=CCC(=O)NCc1cccs1 240690a_100000211653_100000210193 [0,1,1,0,0,0|0,1,1]=4 334 B12R1.51 C=CCC(=O)NCc1cccs1 527a_100000211653_100000210193 [0,1,1,0,0,0|0,1,1]=4 335 B12R1.51 C=CCC(=O)NCc1cnco1 11a_100020634212_100000210193 [0,1,1,0,0,0|1,0,1]=4 336 B12R1.51 C=CCC(=O)NCc1cnco1 240690a_100020634212_100000210193 [0,1,1,0,0,0|1,0,1]=4 337 B12R1.51 C=CCC(=O)NCc1cnco1 527a_100020634212_100000210193 [0,1,1,0,0,0|1,0,1]=4 338 B12R1.51 C=CCC(=O)NCc1ncco1 11a_100016994969_100000210193 [0,1,1,0,0,0|1,0,1]=4 339 B12R1.51 C=CCC(=O)NCc1ncco1 1626a_100016994969_100000210193 [0,1,1,0,0,0|1,0,1]=4 340 B12R1.51 C=CCC(=O)NCc1ncco1 240690a_100016994969_100000210193 [0,1,1,0,0,0|1,0,1]=4 341 B12R1.51 C=CCC(=O)NCc1ncco1 527a_100016994969_100000210193 [0,1,1,0,0,0|1,0,1]=4 342 B12R1.51 CC=CC(=O)CCn1cccc1 1458a_100000210699_200000035178 [0,1,1,0,0,0|1,0,1]=4 343 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 11a_100000764082_100000210699 [0,1,1,0,0,0|1,0,1]=4 344 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210699 [0,1,1,0,0,0|1,0,1]=4 345 B12R1.51 CC=CC(=O)NCc1ccco1 11a_100000185738_100000210699 [0,1,1,0,0,0|0,0,1]=3 346 B12R1.51 CC=CC(=O)NCc1ccco1 1626a_100000185738_100000210699 [0,1,1,0,0,0|0,0,1]=3 347 B12R1.51 CC=CC(=O)NCc1ccco1 240690a_100000185738_100000210699 [0,1,1,0,0,0|0,0,1]=3 348 B12R1.51 CC=CC(=O)NCc1cccs1 11a_100000211653_100000210699 [0,1,1,0,0,0|0,1,1]=4 349 B12R1.51 CC=CC(=O)NCc1cccs1 1626a_100000211653_100000210699 [0,1,1,0,0,0|0,1,1]=4 350 B12R1.51 CC=CC(=O)NCc1cccs1 240690a_100000211653_100000210699 [0,1,1,0,0,0|0,1,1]=4 351 B12R1.51 CC=CC(=O)NCc1cnco1 11a_100020634212_100000210699 [0,1,1,0,0,0|1,0,1]=4 352 B12R1.51 CC=CC(=O)NCc1cnco1 240690a_100020634212_100000210699 [0,1,1,0,0,0|1,0,1]=4 353 B12R1.51 CC=CC(=O)NCc1ncco1 11a_100016994969_100000210699 [0,1,1,0,0,0|1,0,1]=4 354 B12R1.51 CC=CC(=O)NCc1ncco1 1626a_100016994969_100000210699 [0,1,1,0,0,0|1,0,1]=4 355 B12R1.51 CC=CC(=O)NCc1ncco1 240690a_100016994969_100000210699 [0,1,1,0,0,0|1,0,1]=4 356 B12R1.51 O=C(C=CBr)CCn1cccc1 1458a_100016273825_200000035178 [0,1,1,0,0,0|1,0,1]=4 357 B12R1.51 O=C(C=CBr)NCc1ccc[nH]1 240690a_100000764082_100016273825 [0,1,1,0,0,0|2,0,0]=4 358 B12R1.51 O=C(C=CBr)NCc1ccco1 1626a_100000185738_100016273825 [0,1,1,0,0,0|1,0,0]=3 359 B12R1.51 O=C(C=CBr)NCc1ccco1 240690a_100000185738_100016273825 [0,1,1,0,0,0|1,0,0]=3 360 B12R1.51 O=C(C=CBr)NCc1cccs1 1626a_100000211653_100016273825 [0,1,1,0,0,0|1,1,0]=4 361 B12R1.51 O=C(C=CBr)NCc1cccs1 240690a_100000211653_100016273825 [0,1,1,0,0,0|1,1,0]=4 362 B12R1.51 O=C(C=CBr)NCc1cnco1 240690a_100020634212_100016273825 [0,1,1,0,0,0|2,0,0]=4 363 B12R1.51 O=C(C=CBr)NCc1ncco1 1626a_100016994969_100016273825 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.51 O=C(C=CBr)NCc1ncco1 240690a_100016994969_100016273825 [0,1,1,0,0,0|2,0,0]=4 365 B12R1.51 O=C(C=CCl)CCn1cccc1 1458a_200016279998_200000035178 [0,1,1,0,0,0|1,0,1]=4 366 B12R1.51 O=C(C=CCl)NCc1ccc[nH]1 11a_100000764082_200016279998 [0,1,1,0,0,0|2,0,0]=4 367 B12R1.51 O=C(C=CCl)NCc1ccc[nH]1 240690a_100000764082_200016279998 [0,1,1,0,0,0|2,0,0]=4 368 B12R1.51 O=C(C=CCl)NCc1ccco1 11a_100000185738_200016279998 [0,1,1,0,0,0|1,0,0]=3 369 B12R1.51 O=C(C=CCl)NCc1ccco1 1626a_100000185738_200016279998 [0,1,1,0,0,0|1,0,0]=3 370 B12R1.51 O=C(C=CCl)NCc1ccco1 240690a_100000185738_200016279998 [0,1,1,0,0,0|1,0,0]=3 371 B12R1.51 O=C(C=CCl)NCc1cccs1 11a_100000211653_200016279998 [0,1,1,0,0,0|1,1,0]=4 372 B12R1.51 O=C(C=CCl)NCc1cccs1 1626a_100000211653_200016279998 [0,1,1,0,0,0|1,1,0]=4 373 B12R1.51 O=C(C=CCl)NCc1cccs1 240690a_100000211653_200016279998 [0,1,1,0,0,0|1,1,0]=4 374 B12R1.51 O=C(C=CCl)NCc1cnco1 11a_100020634212_200016279998 [0,1,1,0,0,0|2,0,0]=4 375 B12R1.51 O=C(C=CCl)NCc1cnco1 240690a_100020634212_200016279998 [0,1,1,0,0,0|2,0,0]=4 376 B12R1.51 O=C(C=CCl)NCc1ncco1 11a_100016994969_200016279998 [0,1,1,0,0,0|2,0,0]=4 377 B12R1.51 O=C(C=CCl)NCc1ncco1 1626a_100016994969_200016279998 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.51 O=C(C=CCl)NCc1ncco1 240690a_100016994969_200016279998 [0,1,1,0,0,0|2,0,0]=4 379 B12R1.51 O=C(C=CI)CCn1cccc1 1458a_100016256311_200000035178 [0,1,1,0,0,0|1,0,1]=4 380 B12R1.51 O=C(C=CI)NCc1ccco1 1626a_100000185738_100016256311 [0,1,1,0,0,0|1,0,0]=3 381 B12R1.51 O=C(C=CI)NCc1cccs1 1626a_100000211653_100016256311 [0,1,1,0,0,0|1,1,0]=4 382 B12R1.51 O=C(C=CI)NCc1ncco1 1626a_100016994969_100016256311 [0,1,1,0,0,0|2,0,0]=4 383 B12R1.53 C/C=C/CC(=O)Cn1cccc1 1458a_100011196272_100102629194 [0,1,1,0,0,0|1,0,1]=4 384 B12R1.53 C/C=C/CN(C)Cc1ccco1 269982a_100000185268_100102629194 [0,1,1,0,0,0|0,0,2]=4 385 B12R1.53 C=CC=CC(=O)Cc1ncco1 1458a_100016291481_103436540062 [0,1,1,0,0,0|2,0,0]=4 386 B12R1.53 C=CCCC(=O)Cn1cccc1 1458a_100011196272_100000754431 [0,1,1,0,0,0|1,0,1]=4 387 B12R1.53 C=CCCN(C)Cc1ccco1 2230a_100000185268_100000754431 [0,1,1,0,0,0|0,0,2]=4 388 B12R1.53 C=CCCN(C)Cc1ccco1 269982a_100000185268_100000754431 [0,1,1,0,0,0|0,0,2]=4 389 B12R1.53 C=CCCN(C)Cc1ccco1 270004a_100020639649_100000186105 [0,1,1,0,0,0|0,0,2]=4 390 B12R1.53 C=CCNC(=O)Cn1cccc1 1626a_100020586998_100011196272 [0,1,1,0,0,0|1,0,1]=4 391 B12R1.53 C=CCNC(=O)Cn1cccc1 527a_100020586998_100011196272 [0,1,1,0,0,0|1,0,1]=4 392 B12R1.53 CC=CCC(=O)Cn1cccc1 1458a_100011196272_100000070051 [0,1,1,0,0,0|1,0,1]=4 393 B12R1.53 CC=CCN(C)Cc1ccco1 2230a_100000185268_100000070051 [0,1,1,0,0,0|0,0,2]=4 394 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [0,1,1,0,0,0|0,0,2]=4 395 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [0,1,1,0,0,0|0,0,2]=4 396 B12R1.255 C=C(C)COCCn1cccc1 34a_100000179382_100000748629 [0,1,1,0,0,0|0,0,2]=4 397 B12R1.255 C=C(F)COCCn1cccc1 34a_100000179382_100009893438 [0,1,1,0,0,0|0,0,2]=4 398 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,1,1,0,0,0|0,0,2]=4 399 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,1,1,0,0,0|0,0,2]=4 400 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,1,1,0,0,0|0,0,2]=4 401 B12R1.372 C=CCCNCc1occc1Br 270004a_100015191253_100000756499 [0,1,1,0,0,0|0,0,2]=4 402 B12R1.372 C=CCCNCc1occc1C 207a_100015191253_100000763527 [0,1,1,0,0,0|0,0,2]=4 403 B12R1.372 C=CCCNCc1occc1C 270004a_100015191253_100000763527 [0,1,1,0,0,0|0,0,2]=4 404 B12R1.477 C=CC(=O)CCCn1cccc1 1458a_100000185746_200009814367 [0,1,1,0,0,0|1,0,1]=4 405 B12R1.477 C=CC(=O)NCCc1ccco1 1626a_100000694680_100000185746 [0,1,1,0,0,0|2,0,0]=4 406 B12R1.477 C=CC(=O)NCCc1ccco1 240690a_100000694680_200121576911 [0,1,1,0,0,0|2,0,0]=4 407 B12R1.477 C=CC(=O)NCCn1cccc1 240690a_100011368172_200121576911 [0,1,1,0,0,0|1,0,1]=4 408 B12R1.477 C=CC(O)CNCc1ccco1 2230a_100000185738_100000730141 [0,1,1,0,0,0|0,0,2]=4 409 B12R1.477 C=CC(O)CNCc1ccco1 34a_100000185738_100000730141 [0,1,1,0,0,0|0,0,2]=4 410 B12R1.31 C=CCN(C)Cc1cc(co1)Br 270004a_100000225617_100000747035 [0,1,1,0,0,0|0,0,2]=4 411 B12R1.31 C=CCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210623 [0,1,1,0,0,0|0,0,2]=4 412 B12R1.31 C=CCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000210623 [0,1,1,0,0,0|0,0,2]=4 413 B12R1.31 C=CCN(C)Cc1ccc(o1)Br 270004a_100000225617_100000185145 [0,1,1,0,0,0|0,0,2]=4 414 B12R1.31 C=CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210623 [0,1,1,0,0,0|0,0,2]=4 415 B12R1.31 C=CCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210623 [0,1,1,0,0,0|0,0,2]=4 416 B12R1.31 C=CCN(C)Cc1ccc(o1)C 270004a_100000225617_100000183696 [0,1,1,0,0,0|0,0,2]=4 417 B12R1.31 C=CCN(C)Cc1ccc(o1)C 34a_100000184526_100015514636 [0,1,1,0,0,0|0,0,2]=4 418 B12R1.31 C=CCN(C)Cc1ccc(o1)Cl 270004a_100000225617_100000188459 [0,1,1,0,0,0|0,0,2]=4 419 B12R1.55 C=CCC(=O)C(C)n1cccc1 1458a_100000243804_100000210623 [0,1,1,0,0,0|0,0,2]=4 420 B12R1.55 C=CCN(C)C(C)c1ccco1 2230a_100000232712_100000210623 [0,1,1,0,0,0|0,0,2]=4 421 B12R1.55 C=CCN(C)C(C)c1ccco1 269982a_100000232712_100000210623 [0,1,1,0,0,0|0,0,2]=4 422 B12R1.72 C=CCN(CC)Cc1ccco1 2230a_100000739255_100000210623 [0,1,1,0,0,0|0,0,2]=4 423 B12R1.72 C=CCN(CC)Cc1ccco1 269982a_100000739255_100000210623 [0,1,1,0,0,0|0,0,2]=4 424 B12R1.108 C=CC(=O)N(C)Cc1ccco1 240690a_100000185268_200121576911 [0,1,1,0,0,0|0,0,1]=3 425 B12R1.108 C=CC(=O)N(C)Cc1cccs1 240690a_100000184426_200121576911 [0,1,1,0,0,0|0,1,1]=4 426 B12R1.108 C=CC(C)N(C)Cc1ccco1 269982a_100000185268_100011215867 [0,1,1,0,0,0|0,0,2]=4 427 B12R1.260 C=C(C)CC(=O)Cn1cccc1 1458a_100011196272_100000748629 [0,1,1,0,0,0|0,0,2]=4 428 B12R1.260 C=C(C)CN(C)Cc1ccco1 2230a_100000185268_100000748629 [0,1,1,0,0,0|0,0,2]=4 429 B12R1.260 C=C(C)CN(C)Cc1ccco1 269982a_100000185268_100000748629 [0,1,1,0,0,0|0,0,2]=4 430 B12R1.260 C=C(C)CN(C)Cc1ccco1 270004a_100000225649_100000186105 [0,1,1,0,0,0|0,0,2]=4 431 B12R1.260 C=C(F)CC(=O)Cn1cccc1 1458a_100011196272_100009893438 [0,1,1,0,0,0|0,0,2]=4 432 B12R1.260 C=C(F)CN(C)Cc1ccco1 2230a_100000185268_100009893438 [0,1,1,0,0,0|0,0,2]=4 433 B12R1.260 C=C(F)CN(C)Cc1ccco1 269982a_100000185268_100009893438 [0,1,1,0,0,0|0,0,2]=4 434 B12R1.318 C=CCN(C)Cc1occc1Br 270004a_100000225617_100000756499 [0,1,1,0,0,0|0,0,2]=4 435 B12R1.318 C=CCN(C)Cc1occc1C 2230a_100000734364_100000210623 [0,1,1,0,0,0|0,0,2]=4 436 B12R1.318 C=CCN(C)Cc1occc1C 269982a_100000734364_100000210623 [0,1,1,0,0,0|0,0,2]=4 437 B12R1.318 C=CCN(C)Cc1occc1C 270004a_100000225617_100000763527 [0,1,1,0,0,0|0,0,2]=4 438 B12R2.6 Brc1ccc(s1)c2ccco2 271570a_100000750936_100010197418 [0,1,0,0,1,0|2,0,0]=4 439 B12R2.6 Cc1cc(cs1)c2ccco2 271570a_100000699828_100009814098 [0,1,0,0,1,0|2,0,0]=4 440 B12R2.6 Cc1cc(cs1)c2ccco2 271570a_100000750936_100000759034 [0,1,0,0,1,0|2,0,0]=4 441 B12R2.6 Cc1ccc(o1)c2ccco2 271570a_100000061910_100009814098 [0,1,0,0,1,0|2,0,0]=4 442 B12R2.6 Cc1ccc(o1)c2cccs2 271570a_100000061910_100011215356 [0,1,0,0,1,0|2,0,0]=4 443 B12R2.6 Cc1ccc(o1)c2ccoc2 271570a_100000061910_100011215275 [0,1,0,0,1,0|2,0,0]=4 444 B12R2.6 Cc1ccc(o1)c2ccsc2 271570a_100000061910_100000738268 [0,1,0,0,1,0|2,0,0]=4 445 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100000750936_100000761539 [0,1,0,0,1,0|2,0,0]=4 446 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100011934456_100009814098 [0,1,0,0,1,0|2,0,0]=4 447 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000038307_100009814098 [0,1,0,0,1,0|2,0,0]=4 448 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000750936_100009876951 [0,1,0,0,1,0|2,0,0]=4 449 B12R2.6 Clc1ccc(s1)c2ccco2 271570a_100000708867_100009814098 [0,1,0,0,1,0|2,0,0]=4 450 B12R2.6 Cn1ccc(c1)c2ccco2 271570a_100010172022_100009814098 [0,1,0,0,1,0|2,0,0]=4 451 B12R2.10 Brc1ccsc1c2ccco2 271570a_100000750936_100012361411 [0,1,0,0,1,0|2,0,0]=4 452 B12R2.10 Brc1cscc1c2ccco2 271570a_100000750936_100010143727 [0,1,0,0,1,0|2,0,0]=4 453 B12R2.10 Cc1ccsc1c2ccco2 271570a_100000734444_100009814098 [0,1,0,0,1,0|2,0,0]=4 454 B12R2.10 Cc1ccsc1c2ccco2 271570a_100000750936_100000742657 [0,1,0,0,1,0|2,0,0]=4 455 B12R2.10 Cc1cscc1c2ccco2 271570a_100000069996_100009814098 [0,1,0,0,1,0|2,0,0]=4 456 B12R2.10 Cc1cscc1c2ccco2 271570a_100000750936_100000759966 [0,1,0,0,1,0|2,0,0]=4 457 B12R2.10 Cc1occc1c2ccco2 271570a_100000070625_100009814098 [0,1,0,0,1,0|2,0,0]=4 458 B12R2.10 Cc1sccc1c2ccco2 271570a_100000750936_100000684487 [0,1,0,0,1,0|2,0,0]=4 459 B12R2.10 Cc1sccc1c2ccco2 271570a_100012356473_100009814098 [0,1,0,0,1,0|2,0,0]=4 460 B12R2.10 Clc1sccc1c2ccco2 271570a_100000117213_100009814098 [0,1,0,0,1,0|2,0,0]=4 461 B12R2.10 Cn1cccc1c2ccco2 271570a_100000068268_100009814098 [0,1,0,0,1,0|2,0,0]=4 462 B14R2.19 Brc1ccc(o1)CN2CC=CCC2 270004a_100000698166_100000185145 [0,1,0,0,0,1|0,0,2]=4 463 B14R2.19 Brc1coc(c1)CN2CC=CCC2 270004a_100000698166_100000747035 [0,1,0,0,0,1|0,0,2]=4 464 B14R2.19 Cc1ccc(o1)CN2CC=CCC2 270004a_100000698166_100000183696 [0,1,0,0,0,1|0,0,2]=4 465 B14R2.19 Clc1ccc(o1)CN2CC=CCC2 270004a_100000698166_100000188459 [0,1,0,0,0,1|0,0,2]=4 466 B14R2.19 Oc1cn(cn1)Cc2ccccc2 271570a_203496583355_100000049710 [0,1,0,0,0,1|2,0,0]=4 467 B14R2.19 Oc1cnn(c1)Cc2ccccc2 271570a_203496583355_100011356856 [0,1,0,0,0,1|2,0,0]=4 468 B14R2.19 Oc1cnn(c1)Cc2cccnc2 271570a_203496583355_200012073304 [0,1,0,0,0,1|2,0,0]=4 469 B14R2.30 Brc1ccoc1CN2CC=CCC2 270004a_100000698166_100000756499 [0,1,0,0,0,1|0,0,2]=4 470 B14R2.30 Cc1ccoc1CN2CC=CCC2 270004a_100000698166_100000763527 [0,1,0,0,0,1|0,0,2]=4 471 B14R2.30 Oc1cncn1Cc2ccccc2 271570a_203496583355_100010116847 [0,1,0,0,0,1|2,0,0]=4 472 B14R2.50 Brc1ccccc1Sc2ccco2 62a_100000695589_100009814098 [0,1,0,0,0,1|2,0,0]=4 473 B14R2.50 Brc1ccccc1Sc2ccco2 62a_100009814098_100000695589 [0,1,0,0,0,1|2,0,0]=4 474 B14R2.50 Brc1cccnc1Sc2ccco2 62a_100000696092_100009814098 [0,1,0,0,0,1|2,0,0]=4 475 B14R2.50 Brc1cccnc1Sc2ccco2 62a_100009814098_100000696092 [0,1,0,0,0,1|2,0,0]=4 476 B14R2.50 Brc1ccncc1Sc2ccco2 62a_100009814098_100010138639 [0,1,0,0,0,1|2,0,0]=4 477 B14R2.50 Brc1ccncc1Sc2ccco2 62a_100010138639_100009814098 [0,1,0,0,0,1|2,0,0]=4 478 B14R2.50 Brc1cnccc1Sc2ccco2 62a_100000726257_100009814098 [0,1,0,0,0,1|2,0,0]=4 479 B14R2.50 Brc1cnccc1Sc2ccco2 62a_100009814098_100000726257 [0,1,0,0,0,1|2,0,0]=4 480 B14R2.50 Brc1ncccc1Sc2ccco2 62a_100009814098_100010202626 [0,1,0,0,0,1|2,0,0]=4 481 B14R2.50 Brc1ncccc1Sc2ccco2 62a_100010202626_100009814098 [0,1,0,0,0,1|2,0,0]=4 482 B14R2.50 C[n+]1ccccc1Sc2ccco2 62a_100009814098_100000212160 [0,1,0,0,0,1|2,0,0]=4 483 B14R2.50 Cc1ccccc1Sc2ccco2 62a_100000210755_100009814098 [0,1,0,0,0,1|2,0,0]=4 484 B14R2.50 Cc1ccccc1Sc2ccco2 62a_100009814098_100000210755 [0,1,0,0,0,1|2,0,0]=4 485 B14R2.50 Cc1cccnc1Sc2ccco2 62a_100000751373_100009814098 [0,1,0,0,0,1|2,0,0]=4 486 B14R2.50 Cc1cccnc1Sc2ccco2 62a_100009814098_100000751373 [0,1,0,0,0,1|2,0,0]=4 487 B14R2.50 Cc1ccncc1Sc2ccco2 62a_100000761580_100009814098 [0,1,0,0,0,1|2,0,0]=4 488 B14R2.50 Cc1ccncc1Sc2ccco2 62a_100009814098_100000761580 [0,1,0,0,0,1|2,0,0]=4 489 B14R2.50 Cc1cnccc1Sc2ccco2 62a_100000765111_100009814098 [0,1,0,0,0,1|2,0,0]=4 490 B14R2.50 Cc1cnccc1Sc2ccco2 62a_100009814098_100000765111 [0,1,0,0,0,1|2,0,0]=4 491 B14R2.50 Cc1ncccc1Sc2ccco2 62a_100000751574_100009814098 [0,1,0,0,0,1|2,0,0]=4 492 B14R2.50 Cc1ncccc1Sc2ccco2 62a_100009814098_100000751574 [0,1,0,0,0,1|2,0,0]=4 493 B14R2.50 Clc1ccccc1Sc2ccco2 62a_100000764095_100009814098 [0,1,0,0,0,1|2,0,0]=4 494 B14R2.50 Clc1ccccc1Sc2ccco2 62a_100009814098_100000764095 [0,1,0,0,0,1|2,0,0]=4 495 B14R2.50 Clc1cccnc1Sc2ccco2 62a_100009814098_100011356963 [0,1,0,0,0,1|2,0,0]=4 496 B14R2.50 Clc1cccnc1Sc2ccco2 62a_100011356963_100009814098 [0,1,0,0,0,1|2,0,0]=4 497 B14R2.50 Clc1ccncc1Sc2ccco2 62a_100009814098_100009995489 [0,1,0,0,0,1|2,0,0]=4 498 B14R2.50 Clc1ccncc1Sc2ccco2 62a_100009995489_100009814098 [0,1,0,0,0,1|2,0,0]=4 499 B14R2.50 Clc1cnccc1Sc2ccco2 62a_100000708259_100009814098 [0,1,0,0,0,1|2,0,0]=4 500 B14R2.50 Clc1cnccc1Sc2ccco2 62a_100009814098_100000708259 [0,1,0,0,0,1|2,0,0]=4 501 B14R2.50 Clc1ncccc1Sc2ccco2 62a_100000036424_100009814098 [0,1,0,0,0,1|2,0,0]=4 502 B14R2.50 Clc1ncccc1Sc2ccco2 62a_100009814098_100000036424 [0,1,0,0,0,1|2,0,0]=4 503 B14R2.50 Fc1ccccc1Sc2ccco2 62a_100009814098_100011215700 [0,1,0,0,0,1|2,0,0]=4 504 B14R2.50 Fc1ccccc1Sc2ccco2 62a_100011215700_100009814098 [0,1,0,0,0,1|2,0,0]=4 505 B14R2.50 Fc1cccnc1Sc2ccco2 62a_100000685392_100009814098 [0,1,0,0,0,1|2,0,0]=4 506 B14R2.50 Fc1cccnc1Sc2ccco2 62a_100009814098_100000685392 [0,1,0,0,0,1|2,0,0]=4 507 B14R2.50 Fc1ccncc1Sc2ccco2 62a_100009814098_100009820683 [0,1,0,0,0,1|2,0,0]=4 508 B14R2.50 Fc1ccncc1Sc2ccco2 62a_100009820683_100009814098 [0,1,0,0,0,1|2,0,0]=4 509 B14R2.50 Fc1cnccc1Sc2ccco2 62a_100000047030_100009814098 [0,1,0,0,0,1|2,0,0]=4 510 B14R2.50 Fc1cnccc1Sc2ccco2 62a_100009814098_100000047030 [0,1,0,0,0,1|2,0,0]=4 511 B14R2.50 Fc1ncccc1Sc2ccco2 62a_100009814098_100009816115 [0,1,0,0,0,1|2,0,0]=4 512 B14R2.50 Fc1ncccc1Sc2ccco2 62a_100009816115_100009814098 [0,1,0,0,0,1|2,0,0]=4 513 B14R2.50 Nc1ccccc1Sc2ccco2 62a_100000210017_100009814098 [0,1,0,0,0,1|2,0,0]=4 514 B14R2.50 Nc1ccccc1Sc2ccco2 62a_100009814098_100000210017 [0,1,0,0,0,1|2,0,0]=4 515 B14R2.50 Nc1cccnc1Sc2ccco2 62a_100000688686_100009814098 [0,1,0,0,0,1|2,0,0]=4 516 B14R2.50 Nc1cccnc1Sc2ccco2 62a_100009814098_100000688686 [0,1,0,0,0,1|2,0,0]=4 517 B14R2.50 Nc1ccncc1Sc2ccco2 62a_100000047001_100009814098 [0,1,0,0,0,1|2,0,0]=4 518 B14R2.50 Nc1ccncc1Sc2ccco2 62a_100009814098_100000047001 [0,1,0,0,0,1|2,0,0]=4 519 B14R2.50 Nc1cnccc1Sc2ccco2 62a_100000756074_100009814098 [0,1,0,0,0,1|2,0,0]=4 520 B14R2.50 Nc1cnccc1Sc2ccco2 62a_100009814098_100000756074 [0,1,0,0,0,1|2,0,0]=4 521 B14R2.50 Nc1ncccc1Sc2ccco2 62a_100000045569_100009814098 [0,1,0,0,0,1|2,0,0]=4 522 B14R2.50 Nc1ncccc1Sc2ccco2 62a_100009814098_100000045569 [0,1,0,0,0,1|2,0,0]=4 523 B14R2.50 O=c1cc[nH]cc1Sc2ccco2 62a_100009814098_100009998708 [0,1,0,0,0,1|2,0,0]=4 524 B14R2.50 O=c1cc[nH]cc1Sc2ccco2 62a_100009998708_100009814098 [0,1,0,0,0,1|2,0,0]=4 525 B14R2.50 Oc1ccccc1Cn2ccnc2 271570a_203496583355_200000240200 [0,1,0,0,0,1|2,0,0]=4 526 B14R2.50 Oc1ccccc1Sc2ccco2 62a_100000739446_100009814098 [0,1,0,0,0,1|2,0,0]=4 527 B14R2.50 Oc1ccccc1Sc2ccco2 62a_100009814098_100000739446 [0,1,0,0,0,1|2,0,0]=4 528 B14R2.50 Oc1cccnc1Sc2ccco2 62a_100000034122_100009814098 [0,1,0,0,0,1|2,0,0]=4 529 B14R2.50 Oc1cccnc1Sc2ccco2 62a_100009814098_100000034122 [0,1,0,0,0,1|2,0,0]=4 530 B14R2.50 Oc1cnccc1Sc2ccco2 62a_100009814098_100009817591 [0,1,0,0,0,1|2,0,0]=4 531 B14R2.50 Oc1cnccc1Sc2ccco2 62a_100009817591_100009814098 [0,1,0,0,0,1|2,0,0]=4 532 B14R2.50 Oc1ncccc1Sc2ccco2 62a_100000760158_100009814098 [0,1,0,0,0,1|2,0,0]=4 533 B14R2.50 Oc1ncccc1Sc2ccco2 62a_100009814098_100000760158 [0,1,0,0,0,1|2,0,0]=4 534 B14R2.50 S=c1cc[nH]cc1Sc2ccco2 62a_100009814098_200012280681 [0,1,0,0,0,1|2,0,0]=4 535 B14R2.50 S=c1cc[nH]cc1Sc2ccco2 62a_200012280681_100009814098 [0,1,0,0,0,1|2,0,0]=4 536 B14R2.50 [O-][n+]1ccccc1Sc2ccco2 62a_100009814098_200000042595 [0,1,0,0,0,1|2,0,0]=4 537 B14R2.72 Brc1ccc(cc1)Sc2ccco2 62a_100000752885_100009814098 [0,1,0,0,0,1|2,0,0]=4 538 B14R2.72 Brc1ccc(cc1)Sc2ccco2 62a_100009814098_100000752885 [0,1,0,0,0,1|2,0,0]=4 539 B14R2.72 Brc1ccc(cn1)Sc2ccco2 62a_100009814098_100009814638 [0,1,0,0,0,1|2,0,0]=4 540 B14R2.72 Brc1ccc(cn1)Sc2ccco2 62a_100009814638_100009814098 [0,1,0,0,0,1|2,0,0]=4 541 B14R2.72 Brc1ccc(nc1)Sc2ccco2 62a_100000686858_100009814098 [0,1,0,0,0,1|2,0,0]=4 542 B14R2.72 Brc1ccc(nc1)Sc2ccco2 62a_100009814098_100000686858 [0,1,0,0,0,1|2,0,0]=4 543 B14R2.72 CC1=CCN(CC1)Cc2ccco2 270004a_100000693516_100000186105 [0,1,0,0,0,1|0,0,2]=4 544 B14R2.72 Cc1ccc(cc1)Sc2ccco2 62a_100000186775_100009814098 [0,1,0,0,0,1|2,0,0]=4 545 B14R2.72 Cc1ccc(cc1)Sc2ccco2 62a_100009814098_100000186775 [0,1,0,0,0,1|2,0,0]=4 546 B14R2.72 Cc1ccc(cn1)Sc2ccco2 62a_100000751577_100009814098 [0,1,0,0,0,1|2,0,0]=4 547 B14R2.72 Cc1ccc(cn1)Sc2ccco2 62a_100009814098_100000751577 [0,1,0,0,0,1|2,0,0]=4 548 B14R2.72 Cc1ccc(nc1)Sc2ccco2 62a_100009814098_100000754016 [0,1,0,0,0,1|2,0,0]=4 549 B14R2.72 Cc1ccc(nc1)Sc2ccco2 62a_100011192072_100009814098 [0,1,0,0,0,1|2,0,0]=4 550 B14R2.72 Clc1ccc(cc1)Sc2ccco2 62a_100000755918_100009814098 [0,1,0,0,0,1|2,0,0]=4 551 B14R2.72 Clc1ccc(cc1)Sc2ccco2 62a_100009814098_100000755918 [0,1,0,0,0,1|2,0,0]=4 552 B14R2.72 Clc1ccc(cn1)Sc2ccco2 62a_100000034144_100009814098 [0,1,0,0,0,1|2,0,0]=4 553 B14R2.72 Clc1ccc(cn1)Sc2ccco2 62a_100009814098_100000034144 [0,1,0,0,0,1|2,0,0]=4 554 B14R2.72 Clc1ccc(nc1)Sc2ccco2 62a_100009814098_100011356976 [0,1,0,0,0,1|2,0,0]=4 555 B14R2.72 Clc1ccc(nc1)Sc2ccco2 62a_100011356976_100009814098 [0,1,0,0,0,1|2,0,0]=4 556 B14R2.72 Fc1ccc(cc1)Sc2ccco2 62a_100000211213_100009814098 [0,1,0,0,0,1|2,0,0]=4 557 B14R2.72 Fc1ccc(cc1)Sc2ccco2 62a_100009814098_100000211213 [0,1,0,0,0,1|2,0,0]=4 558 B14R2.72 Fc1ccc(cn1)Sc2ccco2 62a_100000042367_100009814098 [0,1,0,0,0,1|2,0,0]=4 559 B14R2.72 Fc1ccc(cn1)Sc2ccco2 62a_100009814098_100000042367 [0,1,0,0,0,1|2,0,0]=4 560 B14R2.72 Fc1ccc(nc1)Sc2ccco2 62a_100000744514_100009814098 [0,1,0,0,0,1|2,0,0]=4 561 B14R2.72 Fc1ccc(nc1)Sc2ccco2 62a_100009814098_100000744514 [0,1,0,0,0,1|2,0,0]=4 562 B14R2.72 Nc1ccc(cc1)Sc2ccco2 62a_100000185761_100009814098 [0,1,0,0,0,1|2,0,0]=4 563 B14R2.72 Nc1ccc(cc1)Sc2ccco2 62a_100009814098_100000185761 [0,1,0,0,0,1|2,0,0]=4 564 B14R2.72 Nc1ccc(cn1)Sc2ccco2 62a_100000187370_100009814098 [0,1,0,0,0,1|2,0,0]=4 565 B14R2.72 Nc1ccc(cn1)Sc2ccco2 62a_100009814098_100000187370 [0,1,0,0,0,1|2,0,0]=4 566 B14R2.72 Nc1ccc(nc1)Sc2ccco2 62a_100000737798_100009814098 [0,1,0,0,0,1|2,0,0]=4 567 B14R2.72 Nc1ccc(nc1)Sc2ccco2 62a_100009814098_100000737798 [0,1,0,0,0,1|2,0,0]=4 568 B14R2.72 O=c1ccc(c[nH]1)Sc2ccco2 62a_100000212171_100009814098 [0,1,0,0,0,1|2,0,0]=4 569 B14R2.72 O=c1ccc(c[nH]1)Sc2ccco2 62a_100009814098_100000212171 [0,1,0,0,0,1|2,0,0]=4 570 B14R2.72 Oc1ccc(cc1)Cn2cccn2 271570a_203496583355_100000751348 [0,1,0,0,0,1|2,0,0]=4 571 B14R2.72 Oc1ccc(cc1)Cn2ccnc2 271570a_203496583355_200000188502 [0,1,0,0,0,1|2,0,0]=4 572 B14R2.72 Oc1ccc(cc1)Sc2ccco2 62a_100009814098_100000185759 [0,1,0,0,0,1|2,0,0]=4 573 B14R2.72 Oc1ccc(cn1)Cn2ccnc2 271570a_203496583355_100000746113 [0,1,0,0,0,1|2,0,0]=4 574 B14R2.72 Oc1ccc(nc1)Sc2ccco2 62a_100000685995_100009814098 [0,1,0,0,0,1|2,0,0]=4 575 B14R2.72 Oc1ccc(nc1)Sc2ccco2 62a_100009814098_100000744096 [0,1,0,0,0,1|2,0,0]=4 576 B14R2.72 [O-][n+]1ccc(cc1)Sc2ccco2 62a_100009814098_100000039755 [0,1,0,0,0,1|2,0,0]=4 577 B14R2.114 C=C(c1ccccc1)c2ccco2 271570a_100000068269_100009814098 [0,1,0,0,0,1|1,0,1]=4 578 B14R2.716 Brc1cc(ccn1)Sc2ccco2 62a_100009814098_100009814637 [0,1,0,0,0,1|2,0,0]=4 579 B14R2.716 Brc1cc(ccn1)Sc2ccco2 62a_100009814637_100009814098 [0,1,0,0,0,1|2,0,0]=4 580 B14R2.716 Brc1cccc(c1)Sc2ccco2 62a_100000691529_100009814098 [0,1,0,0,0,1|2,0,0]=4 581 B14R2.716 Brc1cccc(c1)Sc2ccco2 62a_100009814098_100000691529 [0,1,0,0,0,1|2,0,0]=4 582 B14R2.716 Brc1cccc(n1)Sc2ccco2 62a_100000684672_100009814098 [0,1,0,0,0,1|2,0,0]=4 583 B14R2.716 Brc1cccc(n1)Sc2ccco2 62a_100009814098_100000684672 [0,1,0,0,0,1|2,0,0]=4 584 B14R2.716 Brc1cncc(c1)Sc2ccco2 62a_100000728054_100009814098 [0,1,0,0,0,1|2,0,0]=4 585 B14R2.716 Brc1cncc(c1)Sc2ccco2 62a_100009814098_100000728054 [0,1,0,0,0,1|2,0,0]=4 586 B14R2.716 CC1=CCCN(C1)Cc2ccco2 270004a_100000725631_100000186105 [0,1,0,0,0,1|0,0,2]=4 587 B14R2.716 C[n+]1cccc(c1)Sc2ccco2 62a_100009814098_100009996589 [0,1,0,0,0,1|2,0,0]=4 588 B14R2.716 C[n+]1cccc(c1)Sc2ccco2 62a_100009996589_100009814098 [0,1,0,0,0,1|2,0,0]=4 589 B14R2.716 Cc1cc(ccn1)Sc2ccco2 62a_100000758586_100009814098 [0,1,0,0,0,1|2,0,0]=4 590 B14R2.716 Cc1cc(ccn1)Sc2ccco2 62a_100009814098_100000758586 [0,1,0,0,0,1|2,0,0]=4 591 B14R2.716 Cc1cccc(c1)Sc2ccco2 62a_100009814098_100011215228 [0,1,0,0,0,1|2,0,0]=4 592 B14R2.716 Cc1cccc(c1)Sc2ccco2 62a_100011215228_100009814098 [0,1,0,0,0,1|2,0,0]=4 593 B14R2.716 Cc1cccc(n1)Sc2ccco2 62a_100000742759_100009814098 [0,1,0,0,0,1|2,0,0]=4 594 B14R2.716 Cc1cccc(n1)Sc2ccco2 62a_100009814098_100000742759 [0,1,0,0,0,1|2,0,0]=4 595 B14R2.716 Cc1ccnc(c1)Sc2ccco2 62a_100000750283_100009814098 [0,1,0,0,0,1|2,0,0]=4 596 B14R2.716 Cc1ccnc(c1)Sc2ccco2 62a_100009814098_100000750283 [0,1,0,0,0,1|2,0,0]=4 597 B14R2.716 Cc1cncc(c1)Sc2ccco2 62a_100000760492_100009814098 [0,1,0,0,0,1|2,0,0]=4 598 B14R2.716 Cc1cncc(c1)Sc2ccco2 62a_100009814098_100000760492 [0,1,0,0,0,1|2,0,0]=4 599 B14R2.716 Clc1cc(ccn1)Sc2ccco2 62a_100000035001_100009814098 [0,1,0,0,0,1|2,0,0]=4 600 B14R2.716 Clc1cc(ccn1)Sc2ccco2 62a_100009814098_100000035001 [0,1,0,0,0,1|2,0,0]=4 601 B14R2.716 Clc1cccc(c1)Sc2ccco2 62a_100000699651_100009814098 [0,1,0,0,0,1|2,0,0]=4 602 B14R2.716 Clc1cccc(c1)Sc2ccco2 62a_100009814098_100000699651 [0,1,0,0,0,1|2,0,0]=4 603 B14R2.716 Clc1cccc(n1)Sc2ccco2 62a_100000051397_100009814098 [0,1,0,0,0,1|2,0,0]=4 604 B14R2.716 Clc1cccc(n1)Sc2ccco2 62a_100009814098_100000051397 [0,1,0,0,0,1|2,0,0]=4 605 B14R2.716 Clc1ccnc(c1)Sc2ccco2 62a_100009814098_100010167805 [0,1,0,0,0,1|2,0,0]=4 606 B14R2.716 Clc1ccnc(c1)Sc2ccco2 62a_100010167805_100009814098 [0,1,0,0,0,1|2,0,0]=4 607 B14R2.716 Clc1cncc(c1)Sc2ccco2 62a_100000049639_100009814098 [0,1,0,0,0,1|2,0,0]=4 608 B14R2.716 Clc1cncc(c1)Sc2ccco2 62a_100009814098_100000049639 [0,1,0,0,0,1|2,0,0]=4 609 B14R2.716 Fc1cc(ccn1)Sc2ccco2 62a_100009814098_100009816116 [0,1,0,0,0,1|2,0,0]=4 610 B14R2.716 Fc1cc(ccn1)Sc2ccco2 62a_100009816116_100009814098 [0,1,0,0,0,1|2,0,0]=4 611 B14R2.716 Fc1cccc(c1)Sc2ccco2 62a_100000685547_100009814098 [0,1,0,0,0,1|2,0,0]=4 612 B14R2.716 Fc1cccc(c1)Sc2ccco2 62a_100009814098_100000685547 [0,1,0,0,0,1|2,0,0]=4 613 B14R2.716 Fc1cccc(n1)Sc2ccco2 62a_100009814098_100009815982 [0,1,0,0,0,1|2,0,0]=4 614 B14R2.716 Fc1cccc(n1)Sc2ccco2 62a_100009815982_100009814098 [0,1,0,0,0,1|2,0,0]=4 615 B14R2.716 Fc1ccnc(c1)Sc2ccco2 62a_100000764206_100009814098 [0,1,0,0,0,1|2,0,0]=4 616 B14R2.716 Fc1ccnc(c1)Sc2ccco2 62a_100009814098_100000764206 [0,1,0,0,0,1|2,0,0]=4 617 B14R2.716 Fc1cncc(c1)Sc2ccco2 62a_100000744099_100009814098 [0,1,0,0,0,1|2,0,0]=4 618 B14R2.716 Fc1cncc(c1)Sc2ccco2 62a_100009814098_100000744099 [0,1,0,0,0,1|2,0,0]=4 619 B14R2.716 Nc1cc(ccn1)Sc2ccco2 62a_100000049665_100009814098 [0,1,0,0,0,1|2,0,0]=4 620 B14R2.716 Nc1cc(ccn1)Sc2ccco2 62a_100009814098_100000049665 [0,1,0,0,0,1|2,0,0]=4 621 B14R2.716 Nc1cccc(c1)Sc2ccco2 62a_100000210019_100009814098 [0,1,0,0,0,1|2,0,0]=4 622 B14R2.716 Nc1cccc(c1)Sc2ccco2 62a_100009814098_100000210019 [0,1,0,0,0,1|2,0,0]=4 623 B14R2.716 Nc1cccc(n1)Sc2ccco2 62a_100000740741_100009814098 [0,1,0,0,0,1|2,0,0]=4 624 B14R2.716 Nc1cccc(n1)Sc2ccco2 62a_100009814098_100000740741 [0,1,0,0,0,1|2,0,0]=4 625 B14R2.716 Nc1ccnc(c1)Sc2ccco2 62a_100009814098_100009814236 [0,1,0,0,0,1|2,0,0]=4 626 B14R2.716 Nc1ccnc(c1)Sc2ccco2 62a_100009814236_100009814098 [0,1,0,0,0,1|2,0,0]=4 627 B14R2.716 Nc1cncc(c1)Sc2ccco2 62a_100000687067_100009814098 [0,1,0,0,0,1|2,0,0]=4 628 B14R2.716 Nc1cncc(c1)Sc2ccco2 62a_100009814098_100000687067 [0,1,0,0,0,1|2,0,0]=4 629 B14R2.716 O=c1cc(cc[nH]1)Sc2ccco2 62a_100009814098_100009816521 [0,1,0,0,0,1|2,0,0]=4 630 B14R2.716 O=c1cc(cc[nH]1)Sc2ccco2 62a_100009816521_100009814098 [0,1,0,0,0,1|2,0,0]=4 631 B14R2.716 O=c1cc[nH]c(c1)Sc2ccco2 62a_100009817434_100009814098 [0,1,0,0,0,1|2,0,0]=4 632 B14R2.716 O=c1cccc([nH]1)Sc2ccco2 62a_100009814098_100000752884 [0,1,0,0,0,1|2,0,0]=4 633 B14R2.716 Oc1cccc(c1)Sc2ccco2 62a_100009814098_100000211634 [0,1,0,0,0,1|2,0,0]=4 634 B14R2.716 Oc1ccnc(c1)Sc2ccco2 62a_100009814098_100000762945 [0,1,0,0,0,1|2,0,0]=4 635 B14R2.716 Oc1cncc(c1)Sc2ccco2 62a_100000754920_100009814098 [0,1,0,0,0,1|2,0,0]=4 636 B14R2.716 Oc1cncc(c1)Sc2ccco2 62a_100009814098_100000754920 [0,1,0,0,0,1|2,0,0]=4 637 B14R2.716 [O-][n+]1cccc(c1)Sc2ccco2 62a_100009814098_100009815978 [0,1,0,0,0,1|2,0,0]=4 638 B14R2.716 [S]c1cccc(c1)Sc2ccco2 62a_100009814098_114929384022 [0,1,0,0,0,1|2,0,0]=4 639 B14R2.716 [S]c1cccc(c1)Sc2ccco2 62a_114929384022_100009814098 [0,1,0,0,0,1|2,0,0]=4 640 B14R2.252 Brc1ccc(s1)CSc2ccco2 62a_100000708592_100009814098 [0,1,0,0,0,1|2,0,0]=4 641 B14R2.252 Brc1ccc(s1)CSc2ccco2 62a_100009814098_100000708592 [0,1,0,0,0,1|2,0,0]=4 642 B14R2.252 Brc1csc(c1)CSc2ccco2 62a_100000746031_100009814098 [0,1,0,0,0,1|2,0,0]=4 643 B14R2.252 Brc1csc(c1)CSc2ccco2 62a_100009814098_100000746031 [0,1,0,0,0,1|2,0,0]=4 644 B14R2.252 Cc1noc(n1)CCn2cccc2 270196a_100000212224_100011196273 [0,1,0,0,0,1|2,0,0]=4 645 B14R2.252 Clc1ccc(s1)CSc2ccco2 62a_100000185097_100009814098 [0,1,0,0,0,1|2,0,0]=4 646 B14R2.252 Clc1ccc(s1)CSc2ccco2 62a_100009814098_100000185097 [0,1,0,0,0,1|2,0,0]=4 647 B14R2.384 Brc1sccc1CSc2ccco2 62a_100009814098_100009814289 [0,1,0,0,0,1|2,0,0]=4 648 B14R2.384 Brc1sccc1CSc2ccco2 62a_100009814289_100009814098 [0,1,0,0,0,1|2,0,0]=4 649 B14R2.384 Clc1sccc1CSc2ccco2 62a_100009814098_100010167017 [0,1,0,0,0,1|2,0,0]=4 650 B14R2.384 Clc1sccc1CSc2ccco2 62a_100010167017_100009814098 [0,1,0,0,0,1|2,0,0]=4 651 B14R2.793 O=C(CN1CC=CC1)c2ccco2 269982a_100015195280_100000211439 [0,1,0,0,0,1|0,0,2]=4 652 B14R2.119 CCc1noc(n1)Cn2cccc2 270196a_200000212204_100011196272 [0,2,0,0,0,0|2,0,0]=4 653 B14R2.119 FCc1noc(n1)Cn2cccc2 270196a_200000032654_100011196272 [0,2,0,0,0,0|2,0,0]=4 654 B14R2.119 N#Cc1ccc(o1)CN2CC=CC2 269982a_100015195280_100009822536 [0,2,0,0,0,0|0,0,2]=4 655 B14R2.119 O=Cc1ccc(o1)CN2CC=CC2 269982a_100015195280_200000079136 [0,2,0,0,0,0|0,0,2]=4 656 B14R2.255 Cc1noc(n1)C(C)n2cccc2 270196a_100000212224_100000243804 [0,2,0,0,0,0|2,0,0]=4 657 B14R2.1259 CNC(c1ccco1)c2ccco2 270004a_106832991635_100000688106 [0,2,0,0,0,0|2,0,0]=4 658 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,0,1,1,0,0|1,0,1]=4 659 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,0,1,1,0,0|1,0,1]=4 660 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100000750936_100011216584 [0,0,1,1,0,0|0,0,2]=4 661 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100011264011_100009814098 [0,0,1,1,0,0|0,0,2]=4 662 B12R2.315 C=Cc1cccc2c1cco2 271570a_100011290941_100000756496 [0,0,1,1,0,0|1,0,1]=4 663 B12R2.315 C=Cc1nccn2c1ccc2 271570a_100011290941_100000094558 [0,0,1,1,0,0|1,0,1]=4 664 B12R2.315 C=Cc1ncnn2c1ccc2 271570a_100011290941_100000104113 [0,0,1,1,0,0|2,0,0]=4 665 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [0,0,1,1,0,0|1,0,1]=4 666 B12R1.297 C=CC(C=C)OCc1ncco1 34a_100000033096_103436540062 [0,0,1,0,0,1|2,0,0]=4 667 B14R2.101 C(#Cc1ccco1)c2ccccc2 271570a_100000069678_100009814098 [0,0,0,0,0,2|1,0,1]=4 668 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,0,0,0,0,2|1,0,1]=4 669 B14R2.101 C(=Cc1ccco1)c2cccnc2 271570a_100102525586_100009814098 [0,0,0,0,0,2|1,0,1]=4 670 B14R2.101 c1cc(ccn1)CSc2cnco2 62a_100015193705_100020591547 [0,0,0,0,0,2|2,0,0]=4 671 B14R2.101 c1cc(ccn1)CSc2cnco2 62a_100020591547_100015193705 [0,0,0,0,0,2|2,0,0]=4 672 B14R2.101 c1cc(ccn1)CSc2ncco2 62a_100011787736_100015193705 [0,0,0,0,0,2|2,0,0]=4 673 B14R2.101 c1cc(ccn1)CSc2ncco2 62a_100015193705_100011787736 [0,0,0,0,0,2|2,0,0]=4 674 B14R2.101 c1cc(ccn1)OCc2ncco2 34a_100000212176_103436540062 [0,0,0,0,0,2|2,0,0]=4 675 B14R2.101 c1cc(ccn1)SCc2ncco2 62a_100000728582_103436540062 [0,0,0,0,0,2|2,0,0]=4 676 B14R2.101 c1cc(ccn1)SCc2ncco2 62a_103436540062_100000728582 [0,0,0,0,0,2|2,0,0]=4 677 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100000211182_100009814098 [0,0,0,0,0,2|1,0,0]=3 678 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100009814098_100015291786 [0,0,0,0,0,2|1,0,0]=3 679 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100000211182_100011215356 [0,0,0,0,0,2|1,1,0]=4 680 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100011215356_100015291786 [0,0,0,0,0,2|1,1,0]=4 681 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100000211182_100020591547 [0,0,0,0,0,2|2,0,0]=4 682 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100020591547_100015291786 [0,0,0,0,0,2|2,0,0]=4 683 B14R2.101 c1ccc(cc1)CSc2ncco2 62a_100000211182_100011787736 [0,0,0,0,0,2|2,0,0]=4 684 B14R2.101 c1ccc(cc1)CSc2ncco2 62a_100011787736_100015291786 [0,0,0,0,0,2|2,0,0]=4 685 B14R2.101 c1ccc(cc1)NCc2ccco2 207a_100000106764_100000186105 [0,0,0,0,0,2|1,0,0]=3 686 B14R2.101 c1ccc(cc1)NCc2ccco2 270302a_100000106764_100000186105 [0,0,0,0,0,2|1,0,0]=3 687 B14R2.101 c1ccc(cc1)NCc2cccs2 207a_100000106764_100000209959 [0,0,0,0,0,2|1,1,0]=4 688 B14R2.101 c1ccc(cc1)NCc2cccs2 270302a_100000106764_100000209959 [0,0,0,0,0,2|1,1,0]=4 689 B14R2.101 c1ccc(cc1)NCc2ncco2 34a_100000106764_103436540062 [0,0,0,0,0,2|2,0,0]=4 690 B14R2.101 c1ccc(cc1)OCc2ncco2 34a_100000210340_103436540062 [0,0,0,0,0,2|2,0,0]=4 691 B14R2.101 c1ccc(cc1)OCc2ncco2 7a_100000210340_103436540062 [0,0,0,0,0,2|2,0,0]=4 692 B14R2.101 c1ccc(cc1)SCc2ncco2 62a_100000719477_103436540062 [0,0,0,0,0,2|2,0,0]=4 693 B14R2.101 c1ccc(cc1)SCc2ncco2 62a_103436540062_100000041952 [0,0,0,0,0,2|2,0,0]=4 694 B14R2.101 c1ccc(nc1)CSc2ccco2 62a_100000721315_100009814098 [0,0,0,0,0,2|1,0,0]=3 695 B14R2.101 c1ccc(nc1)CSc2ccco2 62a_100009814098_100000721315 [0,0,0,0,0,2|1,0,0]=3 696 B14R2.101 c1ccc(nc1)CSc2cccs2 62a_100000721315_100011215356 [0,0,0,0,0,2|1,1,0]=4 697 B14R2.101 c1ccc(nc1)CSc2cccs2 62a_100011215356_100000721315 [0,0,0,0,0,2|1,1,0]=4 698 B14R2.101 c1ccc(nc1)CSc2cnco2 62a_100000721315_100020591547 [0,0,0,0,0,2|2,0,0]=4 699 B14R2.101 c1ccc(nc1)CSc2cnco2 62a_100020591547_100000721315 [0,0,0,0,0,2|2,0,0]=4 700 B14R2.101 c1ccc(nc1)CSc2ncco2 62a_100000721315_100011787736 [0,0,0,0,0,2|2,0,0]=4 701 B14R2.101 c1ccc(nc1)CSc2ncco2 62a_100011787736_100000721315 [0,0,0,0,0,2|2,0,0]=4 702 B14R2.101 c1ccc(nc1)SCc2ncco2 62a_100011216584_103436540062 [0,0,0,0,0,2|2,0,0]=4 703 B14R2.101 c1ccc(nc1)SCc2ncco2 62a_103436540062_100011216584 [0,0,0,0,0,2|2,0,0]=4 704 B14R2.101 c1cnc(nc1)CSc2ccco2 62a_100000703007_100009814098 [0,0,0,0,0,2|2,0,0]=4 705 B14R2.101 c1cnc(nc1)CSc2ccco2 62a_100009814098_100000703007 [0,0,0,0,0,2|2,0,0]=4 706 B14R2.101 c1cnc(nc1)NCc2ccco2 27a_100000185738_100000211032 [0,0,0,0,0,2|2,0,0]=4 707 B14R2.101 c1cncc(c1)CSc2ccco2 62a_100000741622_100009814098 [0,0,0,0,0,2|1,0,0]=3 708 B14R2.101 c1cncc(c1)CSc2ccco2 62a_100009814098_100000741622 [0,0,0,0,0,2|1,0,0]=3 709 B14R2.101 c1cncc(c1)CSc2cccs2 62a_100000741622_100011215356 [0,0,0,0,0,2|1,1,0]=4 710 B14R2.101 c1cncc(c1)CSc2cccs2 62a_100011215356_100000741622 [0,0,0,0,0,2|1,1,0]=4 711 B14R2.101 c1cncc(c1)CSc2cnco2 62a_100000741622_100020591547 [0,0,0,0,0,2|2,0,0]=4 712 B14R2.101 c1cncc(c1)CSc2cnco2 62a_100020591547_100000741622 [0,0,0,0,0,2|2,0,0]=4 713 B14R2.101 c1cncc(c1)CSc2ncco2 62a_100000741622_100011787736 [0,0,0,0,0,2|2,0,0]=4 714 B14R2.101 c1cncc(c1)CSc2ncco2 62a_100011787736_100000741622 [0,0,0,0,0,2|2,0,0]=4 715 B14R2.101 c1cncc(c1)OCc2ncco2 34a_100000210849_103436540062 [0,0,0,0,0,2|2,0,0]=4 716 B14R2.101 c1cncc(c1)OCc2ncco2 7a_100000210849_103436540062 [0,0,0,0,0,2|2,0,0]=4 717 B14R2.101 c1cncc(c1)SCc2ncco2 62a_100000210063_103436540062 [0,0,0,0,0,2|2,0,0]=4 718 B14R2.101 c1cncc(c1)SCc2ncco2 62a_103436540062_100000210063 [0,0,0,0,0,2|2,0,0]=4 719 B14R2.101 c1cnnc(c1)CSc2ccco2 62a_100009814098_100016990269 [0,0,0,0,0,2|2,0,0]=4 720 B14R2.101 c1cnnc(c1)CSc2ccco2 62a_100016990269_100009814098 [0,0,0,0,0,2|2,0,0]=4 721 B14R2.101 c1cnnc(c1)NCc2ccco2 27a_100000185738_100016991348 [0,0,0,0,0,2|2,0,0]=4 722 B14R2.101 c1coc(c1)CNc2ccncn2 27a_100000185738_100000703185 [0,0,0,0,0,2|2,0,0]=4 723 B14R2.101 c1coc(c1)CNc2cnccn2 27a_100000185738_100000211759 [0,0,0,0,0,2|2,0,0]=4 724 B14R2.101 c1coc(c1)SCc2ccncc2 62a_100009814098_100015193705 [0,0,0,0,0,2|1,0,0]=3 725 B14R2.101 c1coc(c1)SCc2ccncc2 62a_100015193705_100009814098 [0,0,0,0,0,2|1,0,0]=3 726 B14R2.101 c1coc(c1)SCc2cnccn2 62a_100009814098_100016995436 [0,0,0,0,0,2|2,0,0]=4 727 B14R2.101 c1coc(c1)SCc2cnccn2 62a_100016995436_100009814098 [0,0,0,0,0,2|2,0,0]=4 728 B14R2.101 c1coc(c1)SCc2cncnc2 62a_100009814098_100015196519 [0,0,0,0,0,2|2,0,0]=4 729 B14R2.101 c1coc(c1)SCc2cncnc2 62a_100015196519_100009814098 [0,0,0,0,0,2|2,0,0]=4 730 B14R2.101 c1csc(c1)SCc2ccncc2 62a_100011215356_100015193705 [0,0,0,0,0,2|1,1,0]=4 731 B14R2.101 c1csc(c1)SCc2ccncc2 62a_100015193705_100011215356 [0,0,0,0,0,2|1,1,0]=4 732 B14R2.322 c1ccn(c1)CCOc2ccsc2 7a_100000106738_200000035178 [0,0,0,0,0,2|2,0,0]=4 733 B14R2.322 c1ccn(c1)CCSc2c[nH]cn2 62a_100000756875_200000035178 [0,0,0,0,0,2|2,0,0]=4 734 B14R2.322 c1ccn(c1)CCSc2c[nH]cn2 62a_200009811947_100000756875 [0,0,0,0,0,2|2,0,0]=4 735 B14R2.322 c1ccn(c1)CCSc2cc[nH]n2 62a_100000062575_200000035178 [0,0,0,0,0,2|2,0,0]=4 736 B14R2.322 c1ccn(c1)CCSc2cc[nH]n2 62a_200009811947_100000062575 [0,0,0,0,0,2|2,0,0]=4 737 B14R2.322 c1ccn(c1)CCSc2ccoc2 62a_100011215275_200000035178 [0,0,0,0,0,2|2,0,0]=4 738 B14R2.322 c1ccn(c1)CCSc2ccoc2 62a_200009811947_100011215275 [0,0,0,0,0,2|2,0,0]=4 739 B14R2.322 c1ccn(c1)CCSc2ccon2 62a_100009818083_200000035178 [0,0,0,0,0,2|2,0,0]=4 740 B14R2.322 c1ccn(c1)CCSc2ccon2 62a_200009811947_100009818083 [0,0,0,0,0,2|2,0,0]=4 741 B14R2.322 c1ccn(c1)CCSc2ccsc2 62a_100000738268_200000035178 [0,0,0,0,0,2|2,0,0]=4 742 B14R2.322 c1ccn(c1)CCSc2ccsc2 62a_200009811947_100000738268 [0,0,0,0,0,2|2,0,0]=4 743 B14R2.322 c1ccn(c1)CCSc2ccsn2 62a_100009818082_200000035178 [0,0,0,0,0,2|2,0,0]=4 744 B14R2.322 c1ccn(c1)CCSc2ccsn2 62a_200009811947_100009818082 [0,0,0,0,0,2|2,0,0]=4 745 B14R2.322 c1ccn(c1)CCSc2cnco2 62a_100020591547_200000035178 [0,0,0,0,0,2|1,0,0]=3 746 B14R2.322 c1ccn(c1)CCSc2cnco2 62a_200009811947_100020591547 [0,0,0,0,0,2|1,0,0]=3 747 B14R2.322 c1ccn(c1)CCSc2cncs2 62a_100011934649_200000035178 [0,0,0,0,0,2|1,1,0]=4 748 B14R2.322 c1ccn(c1)CCSc2cncs2 62a_200009811947_100011934649 [0,0,0,0,0,2|1,1,0]=4 749 B14R2.322 c1ccn(c1)CCSc2cscn2 62a_100000751502_200000035178 [0,0,0,0,0,2|2,0,0]=4 750 B14R2.322 c1ccn(c1)CCSc2cscn2 62a_200009811947_100000751502 [0,0,0,0,0,2|2,0,0]=4 751 B14R2.322 c1ccn(c1)CCSc2ncc[nH]2 62a_100025796157_200000035178 [0,0,0,0,0,2|2,0,0]=4 752 B14R2.322 c1ccn(c1)CCSc2ncc[nH]2 62a_200009811947_100025796157 [0,0,0,0,0,2|2,0,0]=4 753 B14R2.322 c1ccn(c1)CCSc2ncco2 62a_100011787736_200000035178 [0,0,0,0,0,2|1,0,0]=3 754 B14R2.322 c1ccn(c1)CCSc2ncco2 62a_200009811947_100011787736 [0,0,0,0,0,2|1,0,0]=3 755 B14R2.322 c1ccn(c1)CCSc2nccs2 62a_100000211983_200000035178 [0,0,0,0,0,2|1,1,0]=4 756 B14R2.322 c1ccn(c1)CCSc2nccs2 62a_200009811947_100000211983 [0,0,0,0,0,2|1,1,0]=4 757 B14R2.322 c1cn(cn1)CCSc2cnco2 62a_100000702546_100020591547 [0,0,0,0,0,2|2,0,0]=4 758 B14R2.322 c1cn(cn1)CCSc2cnco2 62a_100020591547_100000702546 [0,0,0,0,0,2|2,0,0]=4 759 B14R2.322 c1cn(cn1)CCSc2ncco2 62a_100000702546_100011787736 [0,0,0,0,0,2|2,0,0]=4 760 B14R2.322 c1cn(cn1)CCSc2ncco2 62a_100011787736_100000702546 [0,0,0,0,0,2|2,0,0]=4 761 B14R2.322 c1cnn(c1)CCSc2cnco2 62a_100015204718_100020591547 [0,0,0,0,0,2|2,0,0]=4 762 B14R2.322 c1cnn(c1)CCSc2cnco2 62a_100020591547_100000685285 [0,0,0,0,0,2|2,0,0]=4 763 B14R2.322 c1cnn(c1)CCSc2ncco2 62a_100011787736_100000685285 [0,0,0,0,0,2|2,0,0]=4 764 B14R2.322 c1cnn(c1)CCSc2ncco2 62a_100015204718_100011787736 [0,0,0,0,0,2|2,0,0]=4 765 B14R2.322 c1cnn(c1)COCc2ncco2 34a_100000731028_103436540062 [0,0,0,0,0,2|2,0,0]=4 766 B14R2.322 c1coc(c1)CNCc2ccco2 207a_100000185738_100000186105 [0,0,0,0,0,2|2,0,0]=4 767 B14R2.322 c1coc(c1)CNCc2ccco2 270004a_100000185738_100000186105 [0,0,0,0,0,2|2,0,0]=4 768 B14R2.322 c1coc(c1)CNCc2cccs2 207a_100000185738_100000209959 [0,0,0,0,0,2|2,0,0]=4 769 B14R2.322 c1coc(c1)CNCc2cccs2 207a_100000211653_100000186105 [0,0,0,0,0,2|2,0,0]=4 770 B14R2.322 c1coc(c1)CNCc2cccs2 270004a_100000185738_100000209959 [0,0,0,0,0,2|2,0,0]=4 771 B14R2.322 c1coc(c1)CNCc2cccs2 270004a_100000211653_100000186105 [0,0,0,0,0,2|2,0,0]=4 772 B14R2.322 c1coc(c1)CNCc2ccoc2 207a_100000185738_100011215517 [0,0,0,0,0,2|2,0,0]=4 773 B14R2.322 c1coc(c1)CNCc2ccoc2 207a_100015206860_100000186105 [0,0,0,0,0,2|2,0,0]=4 774 B14R2.322 c1coc(c1)CNCc2ccoc2 270004a_100000185738_100011215517 [0,0,0,0,0,2|2,0,0]=4 775 B14R2.322 c1coc(c1)CNCc2ccoc2 270004a_100015206860_100000186105 [0,0,0,0,0,2|2,0,0]=4 776 B14R2.322 c1coc(c1)CNCc2ccsc2 207a_100000185738_100000188534 [0,0,0,0,0,2|2,0,0]=4 777 B14R2.322 c1coc(c1)CNCc2ccsc2 207a_100000186416_100000186105 [0,0,0,0,0,2|2,0,0]=4 778 B14R2.322 c1coc(c1)CNCc2ccsc2 2230a_100000185738_100011261437 [0,0,0,0,0,2|2,0,0]=4 779 B14R2.322 c1coc(c1)CNCc2ccsc2 270004a_100000185738_100000188534 [0,0,0,0,0,2|2,0,0]=4 780 B14R2.322 c1coc(c1)CNCc2ccsc2 270004a_100000186416_100000186105 [0,0,0,0,0,2|2,0,0]=4 781 B14R2.322 c1coc(c1)CNCc2ccsc2 34a_100000185738_100011261437 [0,0,0,0,0,2|2,0,0]=4 782 B14R2.322 c1coc(c1)CNCn2cncn2 2230a_100000185738_200020645497 [0,0,0,0,0,2|2,0,0]=4 783 B14R2.322 c1coc(c1)CNCn2cncn2 34a_100000185738_200020645497 [0,0,0,0,0,2|2,0,0]=4 784 B14R2.322 c1coc(c1)COCc2ccsc2 34a_100000210059_100011261437 [0,0,0,0,0,2|2,0,0]=4 785 B14R2.322 c1coc(c1)COCn2cncn2 34a_100000210059_200020645497 [0,0,0,0,0,2|2,0,0]=4 786 B14R2.322 c1coc(c1)SCCc2cccs2 62a_100000748579_100009814098 [0,0,0,0,0,2|2,0,0]=4 787 B14R2.322 c1coc(c1)SCCc2cccs2 62a_100009814098_100000748579 [0,0,0,0,0,2|2,0,0]=4 788 B14R2.322 c1coc(c1)SCCn2cccc2 62a_100009814098_200000035178 [0,0,0,0,0,2|0,0,0]=2 789 B14R2.322 c1coc(c1)SCCn2cccc2 62a_200009811947_100009814098 [0,0,0,0,0,2|0,0,0]=2 790 B14R2.322 c1coc(c1)SCCn2cccn2 62a_100009814098_100000685285 [0,0,0,0,0,2|1,0,0]=3 791 B14R2.322 c1coc(c1)SCCn2cccn2 62a_100015204718_100009814098 [0,0,0,0,0,2|1,0,0]=3 792 B14R2.322 c1coc(c1)SCCn2ccnc2 62a_100000702546_100009814098 [0,0,0,0,0,2|1,0,0]=3 793 B14R2.322 c1coc(c1)SCCn2ccnc2 62a_100009814098_100000702546 [0,0,0,0,0,2|1,0,0]=3 794 B14R2.322 c1coc(c1)SCCn2cncn2 62a_100000731791_100009814098 [0,0,0,0,0,2|2,0,0]=4 795 B14R2.322 c1coc(c1)SCCn2cncn2 62a_100009814098_100000731791 [0,0,0,0,0,2|2,0,0]=4 796 B14R2.322 c1csc(c1)SCCn2cccc2 62a_100011215356_200000035178 [0,0,0,0,0,2|0,1,0]=3 797 B14R2.322 c1csc(c1)SCCn2cccc2 62a_200009811947_100011215356 [0,0,0,0,0,2|0,1,0]=3 798 B14R2.322 c1csc(c1)SCCn2cccn2 62a_100011215356_100000685285 [0,0,0,0,0,2|1,1,0]=4 799 B14R2.322 c1csc(c1)SCCn2cccn2 62a_100015204718_100011215356 [0,0,0,0,0,2|1,1,0]=4 800 B14R2.322 c1csc(c1)SCCn2ccnc2 62a_100000702546_100011215356 [0,0,0,0,0,2|1,1,0]=4 801 B14R2.322 c1csc(c1)SCCn2ccnc2 62a_100011215356_100000702546 [0,0,0,0,0,2|1,1,0]=4