0 B13R2.292 CCNC1CCCc2c1occ2 269862a_100015525214_100009877200 [0,0,0,0,0,0|3,1,0]=4 1 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.292 CNCc1cccc2c1scc2 207a_100102657272_100011934923 [0,0,0,0,0,0|1,0,3]=4 4 B13R2.292 CNCc1cccc2c1scc2 2230a_106832991635_100009816938 [0,0,0,0,0,0|1,0,3]=4 5 B13R2.292 CNCc1cccc2c1scc2 270004a_106832991635_100011934923 [0,0,0,0,0,0|1,0,3]=4 6 B13R2.292 CNCc1cccc2c1scc2 34a_100102657272_100009816938 [0,0,0,0,0,0|1,0,3]=4 7 B13R2.292 CNCc1cccc2c1scc2 7a_106832991635_100009816938 [0,0,0,0,0,0|1,0,3]=4 8 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.315 CNC1CCCc2c1cco2 269862a_106832991636_100000744050 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.315 CNC1CCCc2c1ccs2 269862a_106832991636_100000024123 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [1,0,0,0,0,0|1,1,0]=3 13 B12R2.315 CNC1CCCn2c1ncc2 269862a_106832991636_100009825951 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.315 CNC1CCCn2c1ncc2 270004a_106832991635_100009825951 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.892 CCCNC1CCCc2c1occ2 269862a_100020643023_100009877200 [0,1,0,0,0,0|2,1,0]=4 16 B14R2.892 CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210202 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.892 CCNCC1OCCc2c1ccs2 34a_100025773454_100000210202 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.892 FCNCC1OCCc2c1ccs2 34a_100025773454_100015361967 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.37 C#CCCNCCc1ccsc1 2230a_100000692642_100000688953 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.37 C#CCCNCCc1ccsc1 34a_100000692642_100000688953 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.37 C#CCCOCC[n+]1ccsc1 34a_200000100414_100000688953 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.37 C#CCCOCCc1ccsc1 34a_100000748821_100000688953 [0,0,1,0,0,0|1,0,1]=3 23 B12R1.37 C/C=C/CNCCc1ccsc1 34a_100000692642_100102629194 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.37 C/C=C/COCC[n+]1ccsc1 34a_200000100414_100102629194 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.37 C/C=C/COCCc1ccsc1 34a_100000748821_100102629194 [0,0,1,0,0,0|1,0,1]=3 26 B12R1.37 C=CCCNCCc1ccsc1 2230a_100000692642_100000754431 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.37 C=CCCNCCc1ccsc1 34a_100000692642_100000754431 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.37 C=CCCOCC[n+]1ccsc1 34a_200000100414_100000754431 [0,0,1,0,0,0|2,0,1]=4 29 B12R1.37 C=CCCOCCc1ccsc1 34a_100000748821_100000754431 [0,0,1,0,0,0|1,0,1]=3 30 B12R1.37 CC#CCNCCc1ccsc1 2230a_100000692642_100000748600 [0,0,1,0,0,0|2,0,1]=4 31 B12R1.37 CC#CCNCCc1ccsc1 34a_100000692642_100000748600 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.37 CC#CCOCC[n+]1ccsc1 34a_200000100414_100000748600 [0,0,1,0,0,0|2,0,1]=4 33 B12R1.37 CC#CCOCCc1ccsc1 34a_100000748821_100000748600 [0,0,1,0,0,0|1,0,1]=3 34 B12R1.37 CC=CCNCCc1ccsc1 2230a_100000692642_100000070051 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.37 CC=CCNCCc1ccsc1 34a_100000692642_100000070051 [0,0,1,0,0,0|2,0,1]=4 36 B12R1.37 CC=CCOCC[n+]1ccsc1 34a_200000100414_100000070051 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.37 CC=CCOCCc1ccsc1 34a_100000748821_100000070051 [0,0,1,0,0,0|1,0,1]=3 38 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [0,0,1,0,0,0|2,0,0]=3 54 B12R1.37 CCCCOCC[n+]1ccsc1 34a_200000100414_100000210210 [0,0,1,0,0,0|2,0,0]=3 55 B12R1.37 CCCCOCCc1c[nH]cn1 7a_100000210227_100020628418 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,0,1,0,0,0|1,0,0]=2 61 B12R1.37 CCCCOCCc1cn[nH]c1 34a_100000766553_100000210210 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.37 CCCCOCCc1cn[nH]c1 7a_100000210227_100000743252 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.37 CCCCOCCc1cnoc1 34a_100000732699_100000210210 [0,0,1,0,0,0|2,1,0]=4 64 B12R1.37 CCCCOCCn1cccc1 34a_100000179382_100000210210 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.37 CCCCOCCn1cccc1 7a_100000210227_200000035178 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.37 CCCCOCCn1ccnc1 34a_100000719764_100000210210 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.37 CCCCOCCn1ccnc1 7a_100000210227_100000702546 [0,0,1,0,0,0|3,0,0]=4 68 B12R1.37 CCCCOCOc1ccsc1 34a_100000106738_100011995733 [0,0,1,0,0,0|2,0,0]=3 69 B12R1.37 CCCCOCSc1ccoc1 62a_100011215275_100011995733 [0,0,1,0,0,0|2,1,0]=4 70 B12R1.37 CCCCOCSc1ccoc1 62a_100011995733_100011215275 [0,0,1,0,0,0|2,1,0]=4 71 B12R1.37 CCCCOCSc1ccsc1 62a_100000738268_100011995733 [0,0,1,0,0,0|2,0,0]=3 72 B12R1.37 CCCCOCSc1ccsc1 62a_100011995733_100000738268 [0,0,1,0,0,0|2,0,0]=3 73 B12R1.37 CCCCOCSc1ccsn1 62a_100009818082_100011995733 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.37 CCCCOCSc1ccsn1 62a_100011995733_100009818082 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.37 CCCCOCSc1cnsc1 62a_100009815736_100011995733 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.37 CCCCOCSc1cnsc1 62a_100011995733_100009815736 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.37 CCCCOCSc1cscn1 62a_100000751502_100011995733 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.37 CCCCOCSc1cscn1 62a_100011995733_100000751502 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.37 CNCCCOCc1ccsc1 34a_100000213112_100011261437 [0,0,1,0,0,0|2,0,0]=3 82 B12R1.37 CNCCCOCc1cscn1 34a_100000213112_100000205941 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.37 COCCCCOc1ccsc1 34a_100000106738_100000755781 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.37 COCCCCOc1ccsc1 7a_100000106738_100000730899 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.37 COCCCCSc1ccsc1 62a_100000730899_100000738268 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.37 COCCCCSc1ccsc1 62a_100000738268_100000730899 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.37 COCCCNCc1ccsc1 207a_100150723488_100000188534 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.37 COCCCNCc1ccsc1 2230a_100000186416_100000740836 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.37 COCCCNCc1ccsc1 270004a_100150723488_100000188534 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.37 COCCCNCc1ccsc1 34a_100000186416_100000740836 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.37 COCCCNCc1ccsc1 34a_100150723488_100011261437 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.37 COCCCOCc1ccsc1 34a_100000740835_100011261437 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.37 COCCCOCc1ccsc1 34a_100011215551_100000740836 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.37 COCCCSCc1ccsc1 62a_100000709357_100011233845 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.37 COCCCSCc1ccsc1 62a_100011261437_100000709357 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [0,0,1,0,0,0|2,0,0]=3 97 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [0,0,1,0,0,0|2,0,0]=3 98 B12R1.37 COCCOCC[n+]1ccsc1 34a_200000100414_100011201679 [0,0,1,0,0,0|2,0,0]=3 99 B12R1.37 COCCOCCc1cccs1 34a_100000210237_100000748579 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.37 COCCOCCc1cccs1 34a_100011216825_100011201679 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.37 COCCOCCc1cccs1 7a_100011216825_100000233755 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [0,0,1,0,0,0|1,0,0]=2 103 B12R1.37 COCCOCCc1cn[nH]c1 34a_100000766553_100011201679 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.37 COCCOCCc1cnoc1 34a_100000732699_100011201679 [0,0,1,0,0,0|2,1,0]=4 105 B12R1.37 COCCOCCn1cccc1 34a_100000179382_100011201679 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.37 COCCOCCn1ccnc1 34a_100000719764_100011201679 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.37 COCCOCSc1ccoc1 62a_100000231047_100011215275 [0,0,1,0,0,0|2,1,0]=4 108 B12R1.37 COCCOCSc1ccoc1 62a_100011215275_100000231047 [0,0,1,0,0,0|2,1,0]=4 109 B12R1.37 COCCOCSc1ccsc1 62a_100000231047_100000738268 [0,0,1,0,0,0|2,0,0]=3 110 B12R1.37 COCCOCSc1ccsc1 62a_100000738268_100000231047 [0,0,1,0,0,0|2,0,0]=3 111 B12R1.37 COCCOCSc1ccsn1 62a_100000231047_100009818082 [0,0,1,0,0,0|3,0,0]=4 112 B12R1.37 COCCOCSc1ccsn1 62a_100009818082_100000231047 [0,0,1,0,0,0|3,0,0]=4 113 B12R1.37 COCCOCSc1cnsc1 62a_100000231047_100009815736 [0,0,1,0,0,0|3,0,0]=4 114 B12R1.37 COCCOCSc1cnsc1 62a_100009815736_100000231047 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.37 COCCOCSc1cscn1 62a_100000231047_100000751502 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.37 COCCOCSc1cscn1 62a_100000751502_100000231047 [0,0,1,0,0,0|3,0,0]=4 117 B12R1.37 CSCCCNCc1ccsc1 207a_100000749238_100000188534 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.37 CSCCCNCc1ccsc1 2230a_100000749238_100011261437 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.37 CSCCCNCc1ccsc1 270004a_100000749238_100000188534 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.37 CSCCCOCc1ccsc1 34a_100000690336_100011261437 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.37 CSCCCOCc1ccsc1 7a_100000690336_100011261437 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.37 CSCCNCCc1ccsc1 2230a_100000692642_100000751147 [0,0,1,0,0,0|2,0,0]=3 123 B12R1.37 CSCCNCCc1ccsc1 34a_100000692642_100000212216 [0,0,1,0,0,0|2,0,0]=3 124 B12R1.37 CSCCOCC[n+]1ccsc1 34a_200000100414_100000212216 [0,0,1,0,0,0|2,0,0]=3 125 B12R1.37 CSCCOCCc1c[nH]cn1 7a_100000230434_100020628418 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.37 CSCCOCCc1cccs1 34a_100000230434_100000748579 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.37 CSCCOCCc1cccs1 34a_100011216825_100000212216 [0,0,1,0,0,0|3,0,0]=4 128 B12R1.37 CSCCOCCc1cccs1 7a_100000230434_100000748579 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.37 CSCCOCCc1cccs1 7a_100011216825_100000212216 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [0,0,1,0,0,0|1,0,0]=2 131 B12R1.37 CSCCOCCc1cn[nH]c1 34a_100000766553_100000212216 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.37 CSCCOCCc1cn[nH]c1 7a_100000230434_100000743252 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.37 CSCCOCCc1cnoc1 34a_100000732699_100000212216 [0,0,1,0,0,0|2,1,0]=4 134 B12R1.37 CSCCOCCn1cccc1 34a_100000179382_100000212216 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.37 CSCCOCCn1cccc1 7a_100000230434_200000035178 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.37 CSCCOCCn1ccnc1 34a_100000719764_100000212216 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.37 CSCCOCCn1ccnc1 7a_100000230434_100000702546 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.37 CSCOCCCc1ccsc1 34a_200000699776_100011218213 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [0,0,1,0,0,0|3,0,0]=4 140 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [0,0,1,0,0,0|3,0,0]=4 141 B12R1.37 FCCCOCC[n+]1ccsc1 34a_200000100414_100011934791 [0,0,1,0,0,0|3,0,0]=4 142 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [0,0,1,0,0,0|2,0,0]=3 143 B12R1.37 N#CCCNCCc1ccsc1 2230a_100000692642_100011215226 [0,0,1,0,0,0|3,0,0]=4 144 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.37 OCCCOCC[n+]1ccsc1 34a_200000100414_100000230001 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [0,0,1,0,0,0|2,0,0]=3 148 B12R1.134 CCCC(NC)c1sccc1C 269862a_106832991636_200011510482 [0,0,1,0,0,0|2,0,0]=3 149 B12R1.293 C=CCC(OCC)c1ccco1 34a_100011729935_100000210202 [0,0,1,0,0,0|1,1,1]=4 150 B12R1.293 C=CCC(OCC)c1ccco1 7a_100011729935_100000210202 [0,0,1,0,0,0|1,1,1]=4 151 B12R1.293 CCCC(NCC)c1ccco1 269862a_100015525214_200011535218 [0,0,1,0,0,0|2,1,0]=4 152 B12R1.293 CCCC(NCC)c1cccs1 2230a_200015187693_100000210202 [0,0,1,0,0,0|2,0,0]=3 153 B12R1.293 CCCC(NCC)c1cccs1 269862a_100015525214_100011218182 [0,0,1,0,0,0|2,0,0]=3 154 B12R1.293 CCCC(NCC)c1cccs1 34a_200015187693_100000210202 [0,0,1,0,0,0|2,0,0]=3 155 B12R1.293 CCCC(NCF)c1cccs1 34a_200015187693_100015361967 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.320 CCCCc1sccc1CNC 271570a_100020621405_100009817074 [0,0,1,0,0,0|3,0,0]=4 157 B12R2.144 CCNC1CCc2c1scc2 269862a_100015525214_100000080523 [0,0,0,0,1,0|2,0,0]=3 158 B12R2.144 CNCC1COc2n1ncc2 2230a_206256048493_200000210301 [0,0,0,0,1,0|3,0,0]=4 159 B12R2.144 [13CH3]NCC1COc2n1ncc2 2230a_206256048493_200025704644 [0,0,0,0,1,0|3,0,0]=4 160 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [0,0,0,0,0,1|1,0,0]=2 161 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [0,0,0,0,0,1|1,0,0]=2 162 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [0,0,0,0,0,1|1,0,0]=2 163 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [0,0,0,0,0,1|1,0,0]=2 164 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.4 C#CCCOCc1ccsc1 34a_100011215551_100000688953 [1,0,1,0,0,0|1,0,1]=4 166 B11R1.4 C#CCCOCc1ccsc1 34a_100011215631_100011261437 [1,0,1,0,0,0|1,0,1]=4 167 B11R1.4 C#CCOCCc1ccsc1 34a_100000748821_100000184674 [1,0,1,0,0,0|0,0,2]=4 168 B11R1.4 C/C=C/COCc1ccsc1 34a_100011215551_100102629194 [1,0,1,0,0,0|1,0,1]=4 169 B11R1.4 C/C=C/COCc1ccsc1 34a_100016270725_100011261437 [1,0,1,0,0,0|1,0,1]=4 170 B11R1.4 C=CCCOCc1ccsc1 34a_100011205117_100011261437 [1,0,1,0,0,0|1,0,1]=4 171 B11R1.4 C=CCCOCc1ccsc1 34a_100011215551_100000754431 [1,0,1,0,0,0|1,0,1]=4 172 B11R1.4 C=CCOCCc1ccsc1 34a_100000748821_100015514636 [1,0,1,0,0,0|0,0,2]=4 173 B11R1.4 CC#CCOCc1ccsc1 34a_100000761923_100011261437 [1,0,1,0,0,0|1,0,1]=4 174 B11R1.4 CC#CCOCc1ccsc1 34a_100011215551_100000748600 [1,0,1,0,0,0|1,0,1]=4 175 B11R1.4 CC=CCOCc1ccsc1 34a_100011215551_100000070051 [1,0,1,0,0,0|1,0,1]=4 176 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [1,0,1,0,0,0|2,0,0]=4 178 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [1,0,1,0,0,0|2,0,0]=4 180 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [1,0,1,0,0,0|2,0,0]=4 181 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [1,0,1,0,0,0|2,0,0]=4 183 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [1,0,1,0,0,0|2,0,0]=4 184 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [1,0,1,0,0,0|2,0,0]=4 185 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [1,0,1,0,0,0|2,0,0]=4 186 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [1,0,1,0,0,0|1,1,0]=4 187 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [1,0,1,0,0,0|1,0,0]=3 188 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [1,0,1,0,0,0|1,0,0]=3 189 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [1,0,1,0,0,0|1,0,0]=3 190 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [1,0,1,0,0,0|1,1,0]=4 193 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [1,0,1,0,0,0|1,1,0]=4 194 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [1,0,1,0,0,0|1,0,0]=3 195 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [1,0,1,0,0,0|1,0,0]=3 196 B11R1.4 CCCOCC[n+]1ccsc1 34a_200000100414_100000210303 [1,0,1,0,0,0|1,0,0]=3 197 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,0,1,0,0,0|2,0,0]=4 198 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [1,0,1,0,0,0|0,0,0]=2 201 B11R1.4 CCCOCCc1cn[nH]c1 34a_100000766553_100000210303 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.4 CCCOCCc1cnoc1 34a_100000732699_100000210303 [1,0,1,0,0,0|1,1,0]=4 203 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [1,0,1,0,0,0|2,0,0]=4 204 B11R1.4 CCCOCCn1ccnc1 34a_100000719764_100000210303 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [1,0,1,0,0,0|2,0,0]=4 206 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [1,0,1,0,0,0|2,0,0]=4 207 B11R1.4 COCCCOc1ccsc1 34a_100000106738_100000740836 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.4 COCCCOc1ccsc1 7a_100000106738_100000740836 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.4 COCCCSc1ccsc1 62a_100000709357_100000738268 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.4 COCCCSc1ccsc1 62a_100000738268_100000709357 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.4 COCCNCc1ccsc1 207a_100000209980_100000188534 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.4 COCCNCc1ccsc1 2230a_100000186416_100011201679 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.4 COCCNCc1ccsc1 2230a_100000209980_100011261437 [1,0,1,0,0,0|2,0,0]=4 214 B11R1.4 COCCNCc1ccsc1 270004a_100000209980_100000188534 [1,0,1,0,0,0|2,0,0]=4 215 B11R1.4 COCCNCc1ccsc1 34a_100000186416_100011201679 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.4 COCCOCc1ccoc1 34a_100011215357_100011201679 [1,0,1,0,0,0|1,1,0]=4 217 B11R1.4 COCCOCc1ccsc1 34a_100000210237_100011261437 [1,0,1,0,0,0|1,0,0]=3 218 B11R1.4 COCCOCc1ccsc1 34a_100011215551_100011201679 [1,0,1,0,0,0|1,0,0]=3 219 B11R1.4 COCCOCc1cscn1 34a_100000210237_100000205941 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.4 COCCSCc1ccsc1 62a_100000233755_100011233845 [1,0,1,0,0,0|1,1,0]=4 221 B11R1.4 COCCSCc1ccsc1 62a_100011261437_100000233755 [1,0,1,0,0,0|1,1,0]=4 222 B11R1.4 COCNCCc1ccsc1 2230a_100000692642_100000766300 [1,0,1,0,0,0|2,0,0]=4 223 B11R1.4 CSCCNCc1ccsc1 207a_100020590264_100000188534 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.4 CSCCNCc1ccsc1 2230a_100000186416_100000751147 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.4 CSCCNCc1ccsc1 2230a_100020590264_100011261437 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.4 CSCCNCc1ccsc1 270004a_100020590264_100000188534 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.4 CSCCNCc1ccsc1 34a_100000186416_100000212216 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.4 CSCCOCc1ccoc1 34a_100011215357_100000212216 [1,0,1,0,0,0|1,1,0]=4 229 B11R1.4 CSCCOCc1ccsc1 34a_100000230434_100011261437 [1,0,1,0,0,0|1,0,0]=3 230 B11R1.4 CSCCOCc1ccsc1 34a_100011215551_100000212216 [1,0,1,0,0,0|1,0,0]=3 231 B11R1.4 CSCCOCc1ccsc1 7a_100000230434_100011261437 [1,0,1,0,0,0|1,0,0]=3 232 B11R1.4 CSCCOCc1cscn1 34a_100000230434_100000205941 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.4 CSCCOCc1cscn1 7a_100000230434_100000205941 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.4 CSCCSCc1ccsc1 62a_100000212216_100011233845 [1,0,1,0,0,0|1,1,0]=4 235 B11R1.4 CSCCSCc1ccsc1 62a_100011261437_100000751147 [1,0,1,0,0,0|1,1,0]=4 236 B11R1.4 CSCNCCc1ccsc1 2230a_100000692642_100011218213 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.4 CSCNCCc1ccsc1 34a_100000692642_100011218213 [1,0,1,0,0,0|2,0,0]=4 238 B11R1.4 CSCOCC[n+]1ccsc1 34a_200000100414_100011218213 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [1,0,1,0,0,0|1,0,0]=3 240 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [1,0,1,0,0,0|2,0,0]=4 242 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [1,0,1,0,0,0|2,0,0]=4 243 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [1,0,1,0,0,0|2,0,0]=4 244 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [1,0,1,0,0,0|2,0,0]=4 245 B11R1.4 FCCOCC[n+]1ccsc1 34a_200000100414_100011217306 [1,0,1,0,0,0|2,0,0]=4 246 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [1,0,1,0,0,0|1,0,0]=3 247 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [1,0,1,0,0,0|2,0,0]=4 249 B11R1.4 NOCCOCc1ccsc1 34a_100000700252_100011261437 [1,0,1,0,0,0|2,0,0]=4 250 B11R1.4 O=CCOCCc1ccsc1 34a_100000748821_200009817547 [1,0,1,0,0,0|1,0,1]=4 251 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [1,0,1,0,0,0|2,0,0]=4 253 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [1,0,1,0,0,0|2,0,0]=4 254 B11R1.4 OCCOCC[n+]1ccsc1 34a_200000100414_100000211926 [1,0,1,0,0,0|2,0,0]=4 255 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [1,0,1,0,0,0|1,0,0]=3 256 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [1,0,1,0,0,0|1,1,0]=4 257 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [1,0,1,0,0,0|1,0,0]=3 258 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [1,0,1,0,0,0|1,0,0]=3 259 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [1,0,1,0,0,0|1,0,0]=3 260 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [1,0,1,0,0,0|1,0,0]=3 261 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [1,0,1,0,0,0|1,0,0]=3 262 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [1,0,1,0,0,0|1,1,0]=4 264 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [1,0,1,0,0,0|1,1,0]=4 265 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [1,0,1,0,0,0|1,0,0]=3 266 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [1,0,1,0,0,0|1,0,0]=3 267 B11R1.2 CCNC(CC)c1nccs1 2230a_103436540099_100000210202 [1,0,1,0,0,0|2,0,0]=4 268 B11R1.2 CCNC(CC)c1nccs1 269862a_100015525214_100000031915 [1,0,1,0,0,0|2,0,0]=4 269 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [1,0,1,0,0,0|2,0,0]=4 270 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [1,0,1,0,0,0|0,1,0]=3 271 B11R1.2 CCOC(CN)c1ccsc1 34a_100000758718_100000210202 [1,0,1,0,0,0|2,0,0]=4 272 B11R1.2 NCC(OCF)c1ccco1 34a_100000738650_100015361967 [1,0,1,0,0,0|1,1,0]=4 273 B11R1.18 CCCCc1sccc1CC 271570a_100020621405_200009875468 [1,0,1,0,0,0|1,0,0]=3 274 B11R1.18 CCCCc1sccc1CN 271570a_100020621405_100000727803 [1,0,1,0,0,0|2,0,0]=4 275 B11R1.18 CCCCc1sccc1CO 271570a_100020621405_100009816922 [1,0,1,0,0,0|1,0,0]=3 276 B11R1.18 CCCSc1sccc1CC 62a_100000210303_200009875468 [1,0,1,0,0,0|2,0,0]=4 277 B11R1.18 CCCSc1sccc1CC 62a_200009875468_100000210303 [1,0,1,0,0,0|2,0,0]=4 278 B11R1.18 CCCSc1sccc1CO 62a_100000210303_100009816922 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.18 CCCSc1sccc1CO 62a_100009816922_100000210303 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.18 CCc1ccsc1SCOC 62a_100000766300_200009875468 [1,0,1,0,0,0|2,0,0]=4 281 B11R1.18 CCc1ccsc1SCOC 62a_200009875468_100000766300 [1,0,1,0,0,0|2,0,0]=4 282 B11R1.18 CCc1ccsc1SCSC 62a_100011218213_200009875468 [1,0,1,0,0,0|2,0,0]=4 283 B11R1.18 CCc1ccsc1SCSC 62a_200009875468_100011218213 [1,0,1,0,0,0|2,0,0]=4 284 B11R1.18 COCSc1sccc1CO 62a_100000766300_100009816922 [1,0,1,0,0,0|2,0,0]=4 285 B11R1.18 COCSc1sccc1CO 62a_100009816922_100000766300 [1,0,1,0,0,0|2,0,0]=4 286 B11R1.18 CSCSc1sccc1CO 62a_100009816922_100011218213 [1,0,1,0,0,0|2,0,0]=4 287 B11R1.18 CSCSc1sccc1CO 62a_100011218213_100009816922 [1,0,1,0,0,0|2,0,0]=4 288 B11R1.109 CCSc1ccsc1CNC 62a_100000210202_100000767120 [1,0,1,0,0,0|2,0,0]=4 289 B11R1.109 CCSc1ccsc1CNC 62a_100000767120_100000210202 [1,0,1,0,0,0|2,0,0]=4 290 B11R1.109 CNCc1sccc1SCF 62a_100000767120_100015361967 [1,0,1,0,0,0|2,0,0]=4 291 B11R1.109 CNCc1sccc1SCF 62a_100015361967_100000767120 [1,0,1,0,0,0|2,0,0]=4 292 B13R1.27 CCCCOCCc1csc(n1)C 34a_100000210227_100000695623 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.27 CCCCOCCc1csc(n1)C 34a_100011934828_100000210210 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.27 CCCCOCCc1csc(n1)C 7a_100000210227_100000695623 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.27 CCCCOCSc1csc(c1)C 62a_100000759034_100011995733 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.27 CCCCOCSc1csc(c1)C 62a_100011995733_100000759034 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.27 COCCOCCc1csc(n1)C 34a_100000210237_100000695623 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.27 COCCOCCc1csc(n1)C 34a_100011934828_100011201679 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.27 COCCOCSc1csc(c1)C 62a_100000231047_100000759034 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.27 COCCOCSc1csc(c1)C 62a_100000759034_100000231047 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.27 CSCCOCCc1csc(n1)C 34a_100000230434_100000695623 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.27 CSCCOCCc1csc(n1)C 34a_100011934828_100000212216 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.27 CSCCOCCc1csc(n1)C 7a_100000230434_100000695623 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.48 CCCCNCC(O)c1ccsc1 2230a_100000758718_100000210211 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.48 CCCCNCC(O)c1ccsc1 34a_100000758718_100000210210 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.48 CCCCOCC(=O)c1ccsc1 34a_100000210227_100011219462 [0,1,1,0,0,0|1,0,1]=4 307 B13R1.48 CCCCOCC(=O)c1ccsc1 7a_100000210227_100011219462 [0,1,1,0,0,0|1,0,1]=4 308 B13R1.48 COCCNCC(O)c1ccsc1 2230a_100000758718_100011201679 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.48 COCCNCC(O)c1ccsc1 34a_100000758718_100011201679 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.48 COCCOCC(=O)c1ccsc1 34a_100000210237_100011219462 [0,1,1,0,0,0|1,0,1]=4 311 B13R1.48 CSCCNCC(O)c1ccsc1 2230a_100000758718_100000751147 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.48 CSCCNCC(O)c1ccsc1 34a_100000758718_100000212216 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.48 CSCCOCC(=O)c1ccsc1 34a_100000230434_100011219462 [0,1,1,0,0,0|1,0,1]=4 314 B13R1.48 CSCCOCC(=O)c1ccsc1 7a_100000230434_100011219462 [0,1,1,0,0,0|1,0,1]=4 315 B13R1.119 C#CCCCOCCc1ccsc1 34a_100000748821_100000695029 [0,1,1,0,0,0|1,0,1]=4 316 B13R1.119 C#CCCOCCCc1ccsc1 34a_200000699776_100000688953 [0,1,1,0,0,0|1,0,1]=4 317 B13R1.119 C#CCCOCCCc1ccsc1 7a_200000699776_100000688953 [0,1,1,0,0,0|1,0,1]=4 318 B13R1.119 C/C=C/COCCCc1ccsc1 34a_200000699776_100102629194 [0,1,1,0,0,0|1,0,1]=4 319 B13R1.119 C/C=C/COCCCc1ccsc1 7a_200000699776_100102629194 [0,1,1,0,0,0|1,0,1]=4 320 B13R1.119 C=CCCCOCCc1ccsc1 34a_100000748821_100000757094 [0,1,1,0,0,0|1,0,1]=4 321 B13R1.119 C=CCCOCCCc1ccsc1 34a_200000699776_100000754431 [0,1,1,0,0,0|1,0,1]=4 322 B13R1.119 C=CCCOCCCc1ccsc1 7a_200000699776_100000754431 [0,1,1,0,0,0|1,0,1]=4 323 B13R1.119 C=COCCOCCc1ccsc1 34a_100000748821_100000039644 [0,1,1,0,0,0|1,0,1]=4 324 B13R1.119 CC#CCOCCCc1ccsc1 34a_200000699776_100000748600 [0,1,1,0,0,0|1,0,1]=4 325 B13R1.119 CC#CCOCCCc1ccsc1 7a_200000699776_100000748600 [0,1,1,0,0,0|1,0,1]=4 326 B13R1.119 CC/C=C\COCCc1ccsc1 34a_100000748821_100103147603 [0,1,1,0,0,0|1,0,1]=4 327 B13R1.119 CC=CCOCCCc1ccsc1 34a_200000699776_100000070051 [0,1,1,0,0,0|1,0,1]=4 328 B13R1.119 CC=CCOCCCc1ccsc1 7a_200000699776_100000070051 [0,1,1,0,0,0|1,0,1]=4 329 B13R1.119 CCC#CCOCCc1ccsc1 34a_100000748821_100009813939 [0,1,1,0,0,0|1,0,1]=4 330 B13R1.119 CCCCCCCOc1ccsc1 34a_100000106738_100000210614 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.119 CCCCCCCOc1ccsc1 7a_100000106738_100000210614 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.119 CCCCCCCSc1ccsc1 62a_100000210614_100000738268 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.119 CCCCCCCSc1ccsc1 62a_100000738268_100000210316 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.119 CCCCCCNCc1ccsc1 207a_100000210581_100000188534 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000186416_100000210314 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000210581_100011261437 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.119 CCCCCCNCc1ccsc1 270004a_100000210581_100000188534 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.119 CCCCCCNCc1ccsc1 34a_100000186416_100000210314 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.119 CCCCCCOCc1ccsc1 34a_100000210259_100011261437 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.119 CCCCCCOCc1ccsc1 34a_100011215551_100000210314 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.119 CCCCCCOCc1ccsc1 7a_100000210259_100011261437 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.119 CCCCCCSCc1ccsc1 62a_100000210314_100011233845 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.119 CCCCCCSCc1ccsc1 62a_100011261437_100000210757 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.119 CCCCCNCCc1ccsc1 2230a_100000692642_100000210326 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.119 CCCCCNCCc1ccsc1 34a_100000692642_100000718602 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.119 CCCCCOCC[n+]1ccsc1 34a_200000100414_100000718602 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.119 CCCCCOCCc1ccsc1 34a_100000748821_100000718602 [0,1,1,0,0,0|1,0,0]=3 348 B13R1.119 CCCCOCCCc1ccsc1 34a_200000699776_100000210210 [0,1,1,0,0,0|1,0,0]=3 349 B13R1.119 CCCCOCCCc1ccsc1 7a_200000699776_100000210211 [0,1,1,0,0,0|1,0,0]=3 350 B13R1.119 CCCCOCCOc1ccsc1 34a_100000106738_100000743108 [0,1,1,0,0,0|1,0,0]=3 351 B13R1.119 CCCCOCCOc1ccsc1 7a_100000106738_100000743108 [0,1,1,0,0,0|1,0,0]=3 352 B13R1.119 CCCCOCCSc1ccoc1 62a_100000743108_100011215275 [0,1,1,0,0,0|1,1,0]=4 353 B13R1.119 CCCCOCCSc1ccoc1 62a_100011215275_100000743108 [0,1,1,0,0,0|1,1,0]=4 354 B13R1.119 CCCCOCCSc1ccsc1 62a_100000738268_100000743108 [0,1,1,0,0,0|1,0,0]=3 355 B13R1.119 CCCCOCCSc1ccsc1 62a_100000743108_100000738268 [0,1,1,0,0,0|1,0,0]=3 356 B13R1.119 CCCCOCCSc1ccsn1 62a_100000743108_100009818082 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.119 CCCCOCCSc1ccsn1 62a_100009818082_100000743108 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.119 CCCCOCCSc1cnsc1 62a_100000743108_100009815736 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.119 CCCCOCCSc1cnsc1 62a_100009815736_100000743108 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.119 CCCCOCCSc1cscn1 62a_100000743108_100000751502 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.119 CCCCOCCSc1cscn1 62a_100000751502_100000743108 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.119 CCCCOCNCc1ccoc1 2230a_100015206860_100011995733 [0,1,1,0,0,0|1,1,0]=4 363 B13R1.119 CCCCOCNCc1ccoc1 34a_100015206860_100011995733 [0,1,1,0,0,0|1,1,0]=4 364 B13R1.119 CCCCOCNCc1ccsc1 2230a_100000186416_100011995733 [0,1,1,0,0,0|1,0,0]=3 365 B13R1.119 CCCCOCNCc1ccsc1 34a_100000186416_100011995733 [0,1,1,0,0,0|1,0,0]=3 366 B13R1.119 CCCCOCNCc1cscn1 2230a_100015185402_100011995733 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.119 CCCCOCOCc1ccoc1 34a_100011215357_100011995733 [0,1,1,0,0,0|1,1,0]=4 368 B13R1.119 CCCCOCOCc1ccsc1 34a_100011215551_100011995733 [0,1,1,0,0,0|1,0,0]=3 369 B13R1.119 CCCCOCSCc1ccsc1 62a_100011261437_100011995733 [0,1,1,0,0,0|1,0,0]=3 370 B13R1.119 CCCCOCSCc1ccsc1 62a_100011995733_100011233845 [0,1,1,0,0,0|1,0,0]=3 371 B13R1.119 CCCCOCSCc1cscn1 62a_100000205941_100011995733 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.119 CCCCOCSCc1cscn1 62a_100011995733_100000205941 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.119 CCOCCNCCc1ccsc1 2230a_100000692642_100011215890 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.119 CCOCCNCCc1ccsc1 34a_100000692642_100000210147 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.119 CCOCCOCC[n+]1ccsc1 34a_200000100414_100000210147 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.119 CCOCCOCCc1ccsc1 34a_100000748821_100000210147 [0,1,1,0,0,0|1,0,0]=3 377 B13R1.119 CCSCCNCCc1ccsc1 2230a_100000692642_100000757381 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.119 CCSCCNCCc1ccsc1 34a_100000692642_100000757381 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.119 CCSCCOCC[n+]1ccsc1 34a_200000100414_100000757381 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.119 CCSCCOCCc1ccsc1 34a_100000748821_100000757381 [0,1,1,0,0,0|1,0,0]=3 381 B13R1.119 CNCCCOCCc1cccs1 34a_100000213112_100000748579 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.119 COCCCCNCc1ccsc1 2230a_100000186416_100000730899 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.119 COCCCCNCc1ccsc1 34a_100000186416_100000755781 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.119 COCCCCOCc1ccsc1 34a_100000740925_100011261437 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.119 COCCCCOCc1ccsc1 34a_100011215551_100000755781 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.119 COCCCCSCc1ccsc1 62a_100000730899_100011233845 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.119 COCCCCSCc1ccsc1 62a_100011261437_100000730899 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.119 COCCCNCCc1ccsc1 2230a_100000692642_100000740836 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.119 COCCCNCCc1ccsc1 34a_100000692642_100000740836 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.119 COCCCOCC[n+]1ccsc1 34a_200000100414_100000740836 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.119 COCCCOCCc1ccsc1 34a_100000748821_100000740836 [0,1,1,0,0,0|1,0,0]=3 392 B13R1.119 COCCOCCCc1ccsc1 34a_200000699776_100011201679 [0,1,1,0,0,0|1,0,0]=3 393 B13R1.119 COCCOCCCc1ccsc1 7a_200000699776_100000233755 [0,1,1,0,0,0|1,0,0]=3 394 B13R1.119 COCCOCCOc1ccsc1 34a_100000106738_100000695917 [0,1,1,0,0,0|1,0,0]=3 395 B13R1.119 COCCOCCOc1ccsc1 7a_100000106738_100000695917 [0,1,1,0,0,0|1,0,0]=3 396 B13R1.119 COCCOCCSc1ccoc1 62a_100000695917_100011215275 [0,1,1,0,0,0|1,1,0]=4 397 B13R1.119 COCCOCCSc1ccoc1 62a_100011215275_100000695917 [0,1,1,0,0,0|1,1,0]=4 398 B13R1.119 COCCOCCSc1ccsc1 62a_100000695917_100000738268 [0,1,1,0,0,0|1,0,0]=3 399 B13R1.119 COCCOCCSc1ccsc1 62a_100000738268_100000695917 [0,1,1,0,0,0|1,0,0]=3 400 B13R1.119 COCCOCCSc1ccsn1 62a_100000695917_100009818082 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.119 COCCOCCSc1ccsn1 62a_100009818082_100000695917 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.119 COCCOCCSc1cnsc1 62a_100000695917_100009815736 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.119 COCCOCCSc1cnsc1 62a_100009815736_100000695917 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.119 COCCOCCSc1cscn1 62a_100000695917_100000751502 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.119 COCCOCCSc1cscn1 62a_100000751502_100000695917 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.119 COCCOCNCc1ccoc1 2230a_100015206860_100000231047 [0,1,1,0,0,0|1,1,0]=4 407 B13R1.119 COCCOCNCc1ccsc1 2230a_100000186416_100000231047 [0,1,1,0,0,0|1,0,0]=3 408 B13R1.119 COCCOCNCc1cscn1 2230a_100015185402_100000231047 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.119 COCCOCSCc1ccsc1 62a_100000231047_100011233845 [0,1,1,0,0,0|1,0,0]=3 410 B13R1.119 COCCOCSCc1ccsc1 62a_100011261437_100000231047 [0,1,1,0,0,0|1,0,0]=3 411 B13R1.119 COCCOCSCc1cscn1 62a_100000205941_100000231047 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.119 COCCOCSCc1cscn1 62a_100000231047_100000205941 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.119 CSCCCCOCc1ccsc1 34a_100011217163_100011261437 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.119 CSCCCCOCc1ccsc1 7a_100011217163_100011261437 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.119 CSCCOCCCc1ccsc1 34a_200000699776_100000212216 [0,1,1,0,0,0|1,0,0]=3 416 B13R1.119 CSCCOCCCc1ccsc1 7a_200000699776_100000212216 [0,1,1,0,0,0|1,0,0]=3 417 B13R1.119 FCCCCNCCc1ccsc1 2230a_100000692642_100000729493 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.119 FCCCCNCCc1ccsc1 34a_100000692642_100000729493 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.119 FCCCCOCC[n+]1ccsc1 34a_200000100414_100000729493 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.119 FCCCCOCCc1ccsc1 34a_100000748821_100000729493 [0,1,1,0,0,0|1,0,0]=3 421 B13R1.119 FCCCOCCCc1ccsc1 34a_200000699776_100011934791 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.119 FCCCOCCCc1ccsc1 7a_200000699776_100011934791 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.119 N#CCCOCCCc1ccsc1 7a_200000699776_100000184422 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.119 OCC#CCOCCc1ccsc1 34a_100000748821_200000047223 [0,1,1,0,0,0|1,0,1]=4 425 B13R1.119 OCCCCNCCc1ccsc1 2230a_100000692642_100000210776 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.119 OCCCCNCCc1ccsc1 34a_100000692642_100011216708 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.119 OCCCCOCC[n+]1ccsc1 34a_200000100414_100011216708 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.119 OCCCCOCCc1ccsc1 34a_100000748821_100011216708 [0,1,1,0,0,0|1,0,0]=3 429 B13R1.119 OCCCOCCCc1ccsc1 34a_200000699776_100000230001 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.119 OCCCOCCCc1ccsc1 7a_200000699776_100011215043 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.153 CCCCC(=O)CCc1ccsc1 1458a_100000195497_100000210211 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.153 COCCC(=O)CCc1ccsc1 1458a_100000195497_100000233755 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.153 CSCCC(=O)CCc1ccsc1 1458a_100000195497_100000751147 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.156 CCCCNC(C)Cc1ccsc1 2230a_100000743546_100000210211 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.156 CCCCNC(C)Cc1ccsc1 34a_100000743546_100000210210 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.156 COCCNC(C)Cc1ccsc1 2230a_100000743546_100011201679 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.156 COCCNC(C)Cc1ccsc1 34a_100000743546_100011201679 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.156 CSCCNC(C)Cc1ccsc1 2230a_100000743546_100000751147 [0,1,1,0,0,0|2,0,0]=4 439 B13R1.156 CSCCNC(C)Cc1ccsc1 34a_100000743546_100000212216 [0,1,1,0,0,0|2,0,0]=4 440 B13R1.343 C=C(C)CCNCCc1ccsc1 2230a_100000692642_100000730704 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.343 C=C(C)CCNCCc1ccsc1 34a_100000692642_100000730704 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.343 C=C(C)CCOCC[n+]1ccsc1 34a_200000100414_100000730704 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.343 C=C(C)CCOCCc1ccsc1 34a_100000748821_100000730704 [0,1,1,0,0,0|1,0,0]=3 444 B13R1.343 CC(=CCOCCc1ccsc1)C 34a_100000748821_100000761012 [0,1,1,0,0,0|1,0,1]=4 445 B13R1.343 CC(=O)OCOCCc1ccsc1 34a_100000748821_100009813279 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.343 CC(C)CCNCCc1ccsc1 2230a_100000692642_100000210312 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.343 CC(C)CCNCCc1ccsc1 269862a_100000692642_100000185833 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.343 CC(C)CCNCCc1ccsc1 34a_100000692642_100000210312 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.343 CC(C)CCOCC[n+]1ccsc1 34a_200000100414_100000210312 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.343 CC(C)CCOCCc1ccsc1 34a_100000748821_100000210312 [0,1,1,0,0,0|1,0,0]=3 451 B13R1.343 CC(C)OCOCCc1ccsc1 34a_100000748821_100000709892 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.343 CC(O)CCNCCc1ccsc1 2230a_100000692642_100012276601 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.343 CC(O)CCNCCc1ccsc1 34a_100000692642_100012276601 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.343 CC(O)CCOCC[n+]1ccsc1 34a_200000100414_100012276601 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.343 CC(O)CCOCCc1ccsc1 34a_100000748821_100012276601 [0,1,1,0,0,0|1,0,0]=3 456 B13R1.343 CN(C)CCCCSc1ccsc1 62a_100000738268_100000690147 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.343 CN(C)CCCNCc1ccsc1 207a_102531767803_100000188534 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.343 CN(C)CCCNCc1ccsc1 270004a_102531767803_100000188534 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.343 CN(C)CCCSCc1ccsc1 62a_100011261437_100000757444 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.343 CN(C)CCOCCc1cccs1 7a_100011216825_100000755713 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.343 NC(=O)CCOCCc1ccsc1 34a_100000748821_100000731001 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.404 CC(CCO)OCCc1ccsc1 34a_100000748821_100009893172 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.404 CCCC(C)NCCc1ccsc1 2230a_100000692642_100000766640 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.404 CCCC(C)NCCc1ccsc1 270004a_100000692642_100000211909 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.404 CCCC(C)NCCc1ccsc1 34a_100000692642_100000766640 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.404 CCCC(C)OCC[n+]1ccsc1 34a_200000100414_100000766640 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.404 CCCC(C)OCCc1ccsc1 34a_100000748821_100000766640 [0,1,1,0,0,0|1,0,0]=3 468 B13R1.404 CNCC(=O)NCCc1ccsc1 2230a_106832991635_100000742133 [0,1,1,0,0,0|1,0,1]=4 469 B13R1.404 CNCC(=O)NCCc1ccsc1 34a_100102657272_100000742133 [0,1,1,0,0,0|1,0,1]=4 470 B13R1.404 CNCC(=O)NCCc1ccsc1 7a_106832991635_100000742133 [0,1,1,0,0,0|1,0,1]=4 471 B13R1.404 COCC(C)NCCc1ccsc1 2230a_100000692642_100000765312 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.404 COCC(C)NCCc1ccsc1 270004a_100000692642_100000749346 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.404 COCC(C)NCCc1ccsc1 34a_100000692642_100000765312 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.404 COCC(C)OCC[n+]1ccsc1 34a_200000100414_100000765312 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.404 COCC(C)OCCc1ccsc1 34a_100000748821_100000765312 [0,1,1,0,0,0|1,0,0]=3 476 B13R1.404 CSCC(C)NCCc1ccsc1 270004a_100000692642_100011216314 [0,1,1,0,0,0|2,0,0]=4 477 B13R1.536 C=CC(O)COCCc1ccsc1 34a_100000748821_100000730141 [0,1,1,0,0,0|1,0,1]=4 478 B13R1.536 CCC(C)CNCCc1ccsc1 2230a_100000692642_100000748023 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.536 CCC(C)CNCCc1ccsc1 270004a_100000692642_100000243153 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.536 CCC(C)CNCCc1ccsc1 34a_100000692642_100000748023 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.536 CCC(C)COCC[n+]1ccsc1 34a_200000100414_100000748023 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.536 CCC(C)COCCc1ccsc1 34a_100000748821_100000748023 [0,1,1,0,0,0|1,0,0]=3 483 B13R1.536 CCC(O)CNCCc1ccsc1 2230a_100000692642_100011218378 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.536 CCC(O)CNCCc1ccsc1 34a_100000692642_100011218378 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.536 CCC(O)COCC[n+]1ccsc1 34a_200000100414_100011218378 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.536 CCC(O)COCCc1ccsc1 34a_100000748821_100011218378 [0,1,1,0,0,0|1,0,0]=3 487 B13R1.536 CC[C@H](C)CNCCc1ccsc1 2230a_100000692642_100009816398 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.536 CC[C@H](C)CNCCc1ccsc1 34a_100000692642_100009816398 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.536 CC[C@H](C)COCC[n+]1ccsc1 34a_200000100414_100009816398 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.536 CC[C@H](C)COCCc1ccsc1 34a_100000748821_100009816398 [0,1,1,0,0,0|1,0,0]=3 491 B13R1.536 CNC(=O)CNCCc1ccsc1 2230a_100000692642_100000183359 [0,1,1,0,0,0|1,0,1]=4 492 B13R1.536 CNC(=O)CNCCc1ccsc1 34a_100000692642_100000183359 [0,1,1,0,0,0|1,0,1]=4 493 B13R1.536 CNC(=O)COCC[n+]1ccsc1 34a_200000100414_100000183359 [0,1,1,0,0,0|1,0,1]=4 494 B13R1.536 CNC(=O)COCCc1ccsc1 34a_100000748821_100000183359 [0,1,1,0,0,0|0,0,1]=3 495 B13R1.536 COC(=O)COCCc1ccsc1 34a_100000748821_100000747449 [0,1,1,0,0,0|1,0,1]=4 496 B13R1.536 C[C@@H](CO)COCCc1ccsc1 34a_100000748821_100000059175 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.536 OCC(O)COCCc1ccsc1 34a_100000748821_100011219619 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.536 OC[C@H](O)COCCc1ccsc1 34a_100000748821_100009815848 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.536 O[C@@H](CF)COCCc1ccsc1 34a_100000748821_100015614560 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.654 CCCCOCSc1ccsc1C 62a_100000684487_100011995733 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.654 CCCCOCSc1ccsc1C 62a_100011995733_100000684487 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.654 CCCCOCSc1cscc1Br 62a_100010143727_100011995733 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.654 CCCCOCSc1cscc1Br 62a_100011995733_100010143727 [0,1,1,0,0,0|2,0,0]=4 504 B13R1.654 CCCCOCSc1cscc1C 62a_100000759966_100011995733 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.654 CCCCOCSc1cscc1C 62a_100011995733_100000759966 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.654 CNCCCOCc1ccsc1Br 34a_100000213112_100009814289 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.654 CNCCCOCc1ccsc1Cl 34a_100000213112_100010167017 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.654 COCCOCSc1ccsc1C 62a_100000231047_100000684487 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.654 COCCOCSc1ccsc1C 62a_100000684487_100000231047 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.654 COCCOCSc1cscc1Br 62a_100000231047_100010143727 [0,1,1,0,0,0|2,0,0]=4 511 B13R1.654 COCCOCSc1cscc1Br 62a_100010143727_100000231047 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.654 COCCOCSc1cscc1C 62a_100000231047_100000759966 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.654 COCCOCSc1cscc1C 62a_100000759966_100000231047 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.1344 CCCC(NCC)c1sccc1C 269862a_100015525214_200011510482 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.170 CCCC(NCCF)c1cccs1 2230a_200015187693_100011217306 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.170 CCCC(NCCF)c1cccs1 269862a_100000724931_100011218182 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.170 CCCC(NCCF)c1cccs1 34a_200015187693_100011217306 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.170 CCCC(NCCO)c1cccs1 2230a_200015187693_100000211926 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.170 CCCC(NCCO)c1cccs1 269862a_100000210304_100011218182 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.170 CCCC(NCCO)c1cccs1 34a_200015187693_100000211926 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.170 CCCC(NCOC)c1cccs1 2230a_200015187693_100000766300 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.170 CCCC(NCSC)c1cccs1 2230a_200015187693_100011218213 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.170 CCCC(NCSC)c1cccs1 34a_200015187693_100011218213 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.170 CCCCC(NCC)c1cccs1 269862a_100015525214_200011267864 [0,1,1,0,0,0|2,0,0]=4 525 B13R1.170 CCCNC(CCC)c1cccs1 2230a_200015187693_100000210303 [0,1,1,0,0,0|2,0,0]=4 526 B13R1.170 CCCNC(CCC)c1cccs1 269862a_100020643023_100011218182 [0,1,1,0,0,0|2,0,0]=4 527 B13R1.170 CCCNC(CCC)c1cccs1 34a_200015187693_100000210303 [0,1,1,0,0,0|2,0,0]=4 528 B13R1.397 CCCC(NCC)c1ccc(s1)C 269862a_100015525214_200011267947 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.397 CCCC(NCC)c1ccc(s1)Cl 269862a_100015525214_200011203525 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.403 CCCC(NC(C)C)c1cccs1 2230a_200015187693_100000210206 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.403 CCCC(NC(C)C)c1cccs1 34a_200015187693_100000210206 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.2800 CCc1ccsc1[C@@H](N)CC(C)C 271570a_100015190218_200009875468 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.579 CCCCc1ccsc1CCCC 271570a_100020621405_100010071534 [0,1,1,0,0,0|2,0,0]=4 534 B13R2.468 CCCNC1CCc2c1scc2 269862a_100020643023_100000080523 [0,1,0,0,1,0|1,0,0]=3 535 B13R2.468 CCNN=C1CCc2c1scc2 4a_100000756455_100000080523 [0,1,0,0,1,0|1,0,1]=4 536 B13R2.468 FCCNC1CCc2c1scc2 269862a_100000724931_100000080523 [0,1,0,0,1,0|2,0,0]=4 537 B13R2.468 OCCNC1CCc2c1scc2 269862a_100000210304_100000080523 [0,1,0,0,1,0|2,0,0]=4 538 B15R2.16857 CNCC1(CCCc2c1cccc2)O 2230a_100000753875_200000210301 [0,1,0,0,0,1|2,0,0]=4 539 B15R2.16857 CNCC1(CCCc2c1cccc2)O 34a_100000753875_200000210301 [0,1,0,0,0,1|2,0,0]=4 540 B15R2.16857 [13CH3]NCC1(CCCc2c1cccc2)O 2230a_100000753875_200025704644 [0,1,0,0,0,1|2,0,0]=4 541 B15R2.16857 [13CH3]NCC1(CCCc2c1cccc2)O 34a_100000753875_200025704644 [0,1,0,0,0,1|2,0,0]=4 542 B15R2.18471 CCNCC1OCCc2c1cccc2 2230a_100000755408_100000210202 [0,1,0,0,0,1|1,0,0]=3 543 B15R2.18471 CCNCC1OCCc2c1cccc2 34a_100000755408_100000210202 [0,1,0,0,0,1|1,0,0]=3 544 B15R2.18471 FCNCC1OCCc2c1cccc2 34a_100000755408_100015361967 [0,1,0,0,0,1|1,0,0]=3 545 B15R2.68122 CC(=O)CC1OCCc2c1cccc2 1458a_100000751863_200000210301 [0,1,0,0,0,1|2,0,0]=4 546 B15R2.68122 CN(C)CC1OCCc2c1cccc2 2230a_100015203942_200000210301 [0,1,0,0,0,1|1,0,0]=3 547 B15R2.68122 CN(C)CC1OCCc2c1cccc2 269982a_100015203942_200000210301 [0,1,0,0,0,1|1,0,0]=3 548 B15R2.68122 CN(C)CC1OCCc2c1cccc2 34a_100015203942_200000210301 [0,1,0,0,0,1|1,0,0]=3 549 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 2230a_100015203942_200025704644 [0,1,0,0,0,1|1,0,0]=3 550 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 269982a_100015203942_200025704644 [0,1,0,0,0,1|1,0,0]=3 551 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 34a_100015203942_200025704644 [0,1,0,0,0,1|1,0,0]=3 552 B15R2.68122 [13CH3]C(=O)CC1OCCc2c1cccc2 1458a_100000751863_200025704644 [0,1,0,0,0,1|2,0,0]=4 553 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 11a_106832991635_100000026751 [0,1,0,0,0,1|1,0,1]=4 554 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 1626a_100102657272_100000026751 [0,1,0,0,0,1|1,0,1]=4 555 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 240690a_100102657272_100000026751 [0,1,0,0,0,1|1,0,1]=4 556 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 527a_100102657272_100000026751 [0,1,0,0,0,1|1,0,1]=4 557 B15R2.4278 C#CCNCC1OCCc2c1ccs2 2230a_100025773454_100000038162 [0,2,0,0,0,0|2,0,0]=4 558 B15R2.4278 C#CCNCC1OCCc2c1ccs2 34a_100025773454_100000184674 [0,2,0,0,0,0|2,0,0]=4 559 B15R2.4278 C=CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210623 [0,2,0,0,0,0|2,0,0]=4 560 B15R2.4278 C=CCNCC1OCCc2c1ccs2 34a_100025773454_100015514636 [0,2,0,0,0,0|2,0,0]=4 561 B15R2.4278 CCCNCC1OCCc2c1ccs2 2230a_100025773454_100000210303 [0,2,0,0,0,0|2,0,0]=4 562 B15R2.4278 CCCNCC1OCCc2c1ccs2 34a_100025773454_100000210303 [0,2,0,0,0,0|2,0,0]=4 563 B15R2.4278 COCNCC1OCCc2c1ccs2 2230a_100025773454_100000766300 [0,2,0,0,0,0|2,0,0]=4 564 B15R2.4278 CSCNCC1OCCc2c1ccs2 2230a_100025773454_100011218213 [0,2,0,0,0,0|2,0,0]=4 565 B15R2.4278 CSCNCC1OCCc2c1ccs2 34a_100025773454_100011218213 [0,2,0,0,0,0|2,0,0]=4 566 B15R2.4278 FCCNCC1OCCc2c1ccs2 2230a_100025773454_100011217306 [0,2,0,0,0,0|2,0,0]=4 567 B15R2.4278 FCCNCC1OCCc2c1ccs2 34a_100025773454_100011217306 [0,2,0,0,0,0|2,0,0]=4 568 B15R2.4278 N#CCNCC1OCCc2c1ccs2 2230a_100025773454_100011215382 [0,2,0,0,0,0|2,0,0]=4 569 B15R2.4278 O=CCNCC1OCCc2c1ccs2 2230a_100025773454_200015260668 [0,2,0,0,0,0|2,0,0]=4 570 B15R2.4278 O=CCNCC1OCCc2c1ccs2 34a_100025773454_200009817547 [0,2,0,0,0,0|2,0,0]=4 571 B15R2.4278 OCCNCC1OCCc2c1ccs2 2230a_100025773454_100000211926 [0,2,0,0,0,0|2,0,0]=4 572 B15R2.4278 OCCNCC1OCCc2c1ccs2 34a_100025773454_100000211926 [0,2,0,0,0,0|2,0,0]=4 573 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 11a_100025773454_100015343762 [0,2,0,0,0,0|2,0,0]=4 574 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 1626a_100025773454_100015343762 [0,2,0,0,0,0|2,0,0]=4 575 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 240690a_100025773454_100015343762 [0,2,0,0,0,0|2,0,0]=4 576 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 527a_100025773454_100103153847 [0,2,0,0,0,0|2,0,0]=4 577 B15R2.19753 CC(C)NCC1OCCc2c1ccs2 2230a_100025773454_100000210206 [0,2,0,0,0,0|2,0,0]=4 578 B15R2.19753 CC(C)NCC1OCCc2c1ccs2 34a_100025773454_100000210206 [0,2,0,0,0,0|2,0,0]=4 579 B13R2.2380 c1c[n+](cs1)CCOCC2CC2 34a_200000100414_100000742324 [0,0,1,1,0,0|2,0,0]=4 580 B13R2.2380 c1c[n+](cs1)CCOCC2CO2 34a_200000100414_102125554688 [0,0,1,1,0,0|2,0,0]=4 581 B13R2.2380 c1cc(cs1)CCNCC2CC2 2230a_100000692642_100000742324 [0,0,1,1,0,0|2,0,0]=4 582 B13R2.2380 c1cc(cs1)CCNCC2CC2 269862a_100000692642_100000741477 [0,0,1,1,0,0|2,0,0]=4 583 B13R2.2380 c1cc(cs1)CCNCC2CC2 34a_100000692642_100000742324 [0,0,1,1,0,0|2,0,0]=4 584 B13R2.2380 c1cc(cs1)CCNCC2CO2 2230a_100000692642_100011216344 [0,0,1,1,0,0|2,0,0]=4 585 B13R2.2380 c1cc(cs1)CCNCC2CO2 34a_100000692642_102125554688 [0,0,1,1,0,0|2,0,0]=4 586 B13R2.2380 c1cc(cs1)CCOCC2CC2 34a_100000748821_100000742324 [0,0,1,1,0,0|1,0,0]=3 587 B13R2.2380 c1cc(cs1)CCOCC2CO2 34a_100000748821_102125554688 [0,0,1,1,0,0|1,0,0]=3 588 B13R2.2381 c1c[n+](cs1)CCOC2CCC2 34a_200000100414_100000749161 [0,0,1,1,0,0|2,0,0]=4 589 B13R2.2381 c1c[n+](cs1)CCOC2COC2 34a_200000100414_100009818527 [0,0,1,1,0,0|2,0,0]=4 590 B13R2.2381 c1cc(cs1)CCNC2CCC2 270004a_100000692642_100000241760 [0,0,1,1,0,0|2,0,0]=4 591 B13R2.2381 c1cc(cs1)CCNC2CCC2 34a_100000692642_100000749161 [0,0,1,1,0,0|2,0,0]=4 592 B13R2.2381 c1cc(cs1)CCNC2COC2 34a_100000692642_100009818527 [0,0,1,1,0,0|2,0,0]=4 593 B13R2.2381 c1cc(cs1)CCOC2CCC2 34a_100000748821_100000749161 [0,0,1,1,0,0|1,0,0]=3 594 B13R2.2381 c1cc(cs1)CCOC2COC2 34a_100000748821_100009818527 [0,0,1,1,0,0|1,0,0]=3 595 B13R2.2381 c1cc(cs1)COCC2CNC2 34a_100016987283_100011261437 [0,0,1,1,0,0|2,0,0]=4 596 B13R2.777 CCNC(c1cccs1)C2CC2 269862a_100015525214_100000742331 [0,0,1,1,0,0|2,0,0]=4 597 B13R2.2441 CCCCc1sccc1C2CC2 271570a_100020621405_100010071141 [0,0,1,1,0,0|2,0,0]=4 598 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [1,0,0,0,1,0|2,0,0]=4 599 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [1,0,0,0,1,0|0,0,0]=2 600 B11R2.191 CNC1CCn2c1ncc2 270004a_106832991635_100009824702 [1,0,0,0,1,0|2,0,0]=4 601 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,0,1,0,0,1|2,0,0]=4 602 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,0,1,0,0,1|2,0,0]=4 603 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,0,1,0,0,1|2,0,0]=4 604 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,0,1,0,0,1|2,0,0]=4 605 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,0,1,0,0,1|2,0,0]=4 606 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,0,1,0,0,1|2,0,0]=4 607 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,0,1,0,0,1|2,0,0]=4 608 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,0,1,0,0,1|2,0,0]=4 609 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,0,1,0,0,1|2,0,0]=4 610 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,0,1,0,0,1|2,0,0]=4 611 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,0,1,0,0,1|2,0,0]=4 612 B13R1.28 CCCCOCCc1cncnc1 34a_100011709255_100000210210 [0,0,1,0,0,1|2,0,0]=4 613 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,0,1,0,0,1|2,0,0]=4 614 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,0,1,0,0,1|2,0,0]=4 615 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,0,1,0,0,1|2,0,0]=4 616 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,0,1,0,0,1|2,0,0]=4 617 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,0,1,0,0,1|2,0,0]=4 618 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,0,1,0,0,1|2,0,0]=4 619 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,0,1,0,0,1|2,0,0]=4 620 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,0,1,0,0,1|2,0,0]=4 621 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [0,0,1,0,0,1|2,0,0]=4 622 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,0,1,0,0,1|2,0,0]=4 623 B13R1.28 COCCOCCc1ccncc1 34a_100011216225_100011201679 [0,0,1,0,0,1|2,0,0]=4 624 B13R1.28 COCCOCCc1cnccn1 34a_100011349526_100011201679 [0,0,1,0,0,1|2,0,0]=4 625 B13R1.28 COCCOCCc1cncnc1 34a_100011709255_100011201679 [0,0,1,0,0,1|2,0,0]=4 626 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,0,1,0,0,1|2,0,0]=4 627 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,0,1,0,0,1|2,0,0]=4 628 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,0,1,0,0,1|2,0,0]=4 629 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,0,1,0,0,1|2,0,0]=4 630 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [0,0,1,0,0,1|2,0,0]=4 631 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [0,0,1,0,0,1|2,0,0]=4 632 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,0,1,0,0,1|2,0,0]=4 633 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,0,1,0,0,1|2,0,0]=4 634 B13R1.28 CSCCOCCc1ccncc1 34a_100011216225_100000212216 [0,0,1,0,0,1|2,0,0]=4 635 B13R1.28 CSCCOCCc1ccncc1 7a_100000230434_100000723409 [0,0,1,0,0,1|2,0,0]=4 636 B13R1.28 CSCCOCCc1cnccn1 34a_100011349526_100000212216 [0,0,1,0,0,1|2,0,0]=4 637 B13R1.28 CSCCOCCc1cncnc1 34a_100011709255_100000212216 [0,0,1,0,0,1|2,0,0]=4 638 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,0,1,0,0,1|2,0,0]=4 639 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,0,1,0,0,1|2,0,0]=4 640 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [0,0,1,0,0,1|2,0,0]=4 641 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [0,0,1,0,0,1|2,0,0]=4 642 B13R1.184 CCCC(CC)Sc1sccc1C 62a_100010247149_100011219200 [0,0,1,0,0,1|2,0,0]=4 643 B13R1.184 CCCC(CC)Sc1sccc1C 62a_100011219200_100010247149 [0,0,1,0,0,1|2,0,0]=4 644 B13R1.389 CCCC(CCC)Sc1cccs1 62a_100011215356_200011218217 [0,0,1,0,0,1|2,0,0]=4 645 B13R1.389 CCCC(CCC)Sc1cccs1 62a_200011218217_100011215356 [0,0,1,0,0,1|2,0,0]=4 646 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,0,1,0,0,1|2,0,0]=4 647 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,0,1,0,0,1|2,0,0]=4 648 B13R1.443 CCCC(C)Sc1sccc1CC 62a_100000766640_200009875468 [0,0,1,0,0,1|2,0,0]=4 649 B13R1.443 CCCC(C)Sc1sccc1CC 62a_200009875468_100000766640 [0,0,1,0,0,1|2,0,0]=4 650 B13R1.443 CCc1ccsc1SC(C)COC 62a_100000765312_200009875468 [0,0,1,0,0,1|2,0,0]=4 651 B13R1.443 CCc1ccsc1SC(C)COC 62a_200009875468_100000765312 [0,0,1,0,0,1|2,0,0]=4 652 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000210301_200000733937 [0,0,1,0,0,1|2,0,0]=4 653 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000733937_200000210301 [0,0,1,0,0,1|2,0,0]=4 654 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200000733937_200025704644 [0,0,1,0,0,1|2,0,0]=4 655 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200000733937 [0,0,1,0,0,1|2,0,0]=4 656 B13R1.460 CNC[C@H](O)c1cccc(c1)OC 34a_100009815823_200000210301 [0,0,1,0,0,1|2,0,0]=4 657 B13R1.460 CNC[C@H](O)c1cccc(c1)O[13CH3] 34a_100009815823_200025704644 [0,0,1,0,0,1|2,0,0]=4