0 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [0,0,0,0,0,0|3,1,0]=4 1 B13R2.292 CCNC1CCCc2c1occ2 269862a_100015525214_100009877200 [0,1,0,0,0,0|2,1,0]=4 2 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [0,1,0,0,0,0|2,0,0]=3 3 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [0,1,0,0,0,0|2,0,0]=3 4 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [0,0,1,0,0,0|3,0,0]=4 7 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [0,0,1,0,0,0|3,0,0]=4 8 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [0,0,1,0,0,0|3,0,0]=4 9 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [0,0,1,0,0,0|3,0,0]=4 10 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [0,0,1,0,0,0|3,0,0]=4 11 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [0,0,1,0,0,0|3,0,0]=4 12 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [0,0,1,0,0,0|2,1,0]=4 13 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [0,0,1,0,0,0|2,1,0]=4 14 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [0,0,1,0,0,0|2,0,0]=3 15 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [0,0,1,0,0,0|2,0,0]=3 16 B11R1.2 CCNC(CC)c1nccs1 2230a_103436540099_100000210202 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.2 CCNC(CC)c1nccs1 269862a_100015525214_100000031915 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [0,0,1,0,0,0|2,0,0]=3 19 B11R1.2 CCN[C@@H](CO)c1nccs1 2230a_202495363701_100000210202 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [0,0,1,0,0,0|0,1,0]=2 21 B11R1.2 CCOC(CN)c1ccsc1 34a_100000758718_100000210202 [0,0,1,0,0,0|2,0,0]=3 22 B11R1.2 NCC(OCF)c1ccco1 34a_100000738650_100015361967 [0,0,1,0,0,0|1,1,0]=3 23 B11R1.2 NCC(OCF)c1ccsc1 34a_100000758718_100015361967 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.4 C#CCNCCc1ccsc1 2230a_100000692642_100000038162 [0,0,1,0,0,0|2,0,1]=4 27 B11R1.4 C#CCNCCc1ccsc1 34a_100000692642_100000184674 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.4 C#CCOCC[n+]1ccsc1 34a_200000100414_100000184674 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.4 C#CCOCCc1ccsc1 34a_100000748821_100000184674 [0,0,1,0,0,0|1,0,1]=3 30 B11R1.4 C=CCNCCc1ccsc1 2230a_100000692642_100000210623 [0,0,1,0,0,0|2,0,1]=4 31 B11R1.4 C=CCNCCc1ccsc1 34a_100000692642_100015514636 [0,0,1,0,0,0|2,0,1]=4 32 B11R1.4 C=CCOCC[n+]1ccsc1 34a_200000100414_100015514636 [0,0,1,0,0,0|2,0,1]=4 33 B11R1.4 C=CCOCCc1ccsc1 34a_100000748821_100015514636 [0,0,1,0,0,0|1,0,1]=3 34 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,0,1,0,0,0|3,0,0]=4 35 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [0,0,1,0,0,0|3,0,0]=4 39 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [0,0,1,0,0,0|3,0,0]=4 40 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [0,0,1,0,0,0|3,0,0]=4 41 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [0,0,1,0,0,0|3,0,0]=4 44 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,0,1,0,0,0|3,0,0]=4 45 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [0,0,1,0,0,0|2,0,0]=3 50 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [0,0,1,0,0,0|2,0,0]=3 51 B11R1.4 CCCOCC[n+]1ccsc1 34a_200000100414_100000210303 [0,0,1,0,0,0|2,0,0]=3 52 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,0,1,0,0,0|3,0,0]=4 55 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [0,0,1,0,0,0|1,0,0]=2 56 B11R1.4 CCCOCCc1cn[nH]c1 34a_100000766553_100000210303 [0,0,1,0,0,0|3,0,0]=4 57 B11R1.4 CCCOCCc1cnoc1 34a_100000732699_100000210303 [0,0,1,0,0,0|2,1,0]=4 58 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [0,0,1,0,0,0|3,0,0]=4 59 B11R1.4 CCCOCCn1ccnc1 34a_100000719764_100000210303 [0,0,1,0,0,0|3,0,0]=4 60 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [0,0,1,0,0,0|3,0,0]=4 61 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [0,0,1,0,0,0|3,0,0]=4 62 B11R1.4 COCNCCc1ccsc1 2230a_100000692642_100000766300 [0,0,1,0,0,0|3,0,0]=4 63 B11R1.4 CSCNCCc1ccsc1 2230a_100000692642_100011218213 [0,0,1,0,0,0|3,0,0]=4 64 B11R1.4 CSCNCCc1ccsc1 34a_100000692642_100011218213 [0,0,1,0,0,0|3,0,0]=4 65 B11R1.4 CSCOCC[n+]1ccsc1 34a_200000100414_100011218213 [0,0,1,0,0,0|3,0,0]=4 66 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [0,0,1,0,0,0|2,0,0]=3 67 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [0,0,1,0,0,0|3,0,0]=4 68 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [0,0,1,0,0,0|3,0,0]=4 69 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [0,0,1,0,0,0|3,0,0]=4 71 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [0,0,1,0,0,0|3,0,0]=4 72 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [0,0,1,0,0,0|3,0,0]=4 74 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [0,0,1,0,0,0|3,0,0]=4 75 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [0,0,1,0,0,0|3,0,0]=4 76 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [0,0,1,0,0,0|3,0,0]=4 77 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [0,0,1,0,0,0|3,0,0]=4 78 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [0,0,1,0,0,0|3,0,0]=4 79 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [0,0,1,0,0,0|3,0,0]=4 80 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [0,0,1,0,0,0|3,0,0]=4 81 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [0,0,1,0,0,0|3,0,0]=4 82 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [0,0,1,0,0,0|2,0,0]=3 83 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [0,0,1,0,0,0|2,0,0]=3 84 B11R1.4 FCCOCC[n+]1ccsc1 34a_200000100414_100011217306 [0,0,1,0,0,0|2,0,0]=3 85 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [0,0,1,0,0,0|3,0,0]=4 86 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [0,0,1,0,0,0|3,0,0]=4 87 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [0,0,1,0,0,0|1,0,0]=2 88 B11R1.4 FCCOCCc1cn[nH]c1 34a_100000766553_100011217306 [0,0,1,0,0,0|3,0,0]=4 89 B11R1.4 FCCOCCc1cnoc1 34a_100000732699_100011217306 [0,0,1,0,0,0|2,1,0]=4 90 B11R1.4 FCCOCCn1cccc1 34a_100000179382_100011217306 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.4 FCCOCCn1ccnc1 34a_100000719764_100011217306 [0,0,1,0,0,0|3,0,0]=4 92 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [0,0,1,0,0,0|3,0,0]=4 93 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [0,0,1,0,0,0|3,0,0]=4 94 B11R1.4 N#CCNCCc1ccsc1 2230a_100000692642_100011215382 [0,0,1,0,0,0|1,0,2]=4 95 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,0,1,0,0,0|2,0,0]=3 96 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,0,1,0,0,0|2,0,0]=3 98 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [0,0,1,0,0,0|3,0,0]=4 99 B11R1.4 NCCOCCn1cncn1 34a_100000210304_200000749826 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.4 NOCCOCc1ccsc1 34a_100000700252_100011261437 [0,0,1,0,0,0|3,0,0]=4 101 B11R1.4 O=CCNCCc1ccsc1 2230a_100000692642_200015260668 [0,0,1,0,0,0|2,0,1]=4 102 B11R1.4 O=CCNCCc1ccsc1 34a_100000692642_200009817547 [0,0,1,0,0,0|2,0,1]=4 103 B11R1.4 O=CCOCC[n+]1ccsc1 34a_200000100414_200009817547 [0,0,1,0,0,0|2,0,1]=4 104 B11R1.4 O=CCOCCc1ccsc1 34a_100000748821_200009817547 [0,0,1,0,0,0|1,0,1]=3 105 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [0,0,1,0,0,0|3,0,0]=4 106 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [0,0,1,0,0,0|3,0,0]=4 107 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [0,0,1,0,0,0|3,0,0]=4 108 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [0,0,1,0,0,0|3,0,0]=4 109 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [0,0,1,0,0,0|3,0,0]=4 110 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [0,0,1,0,0,0|3,0,0]=4 112 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [0,0,1,0,0,0|3,0,0]=4 113 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [0,0,1,0,0,0|3,0,0]=4 114 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [0,0,1,0,0,0|3,0,0]=4 115 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [0,0,1,0,0,0|3,0,0]=4 116 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [0,0,1,0,0,0|2,0,0]=3 117 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [0,0,1,0,0,0|2,0,0]=3 118 B11R1.4 OCCOCC[n+]1ccsc1 34a_200000100414_100000211926 [0,0,1,0,0,0|2,0,0]=3 119 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [0,0,1,0,0,0|1,0,0]=2 122 B11R1.4 OCCOCCc1cn[nH]c1 34a_100000766553_100000211926 [0,0,1,0,0,0|3,0,0]=4 123 B11R1.4 OCCOCCc1cnoc1 34a_100000732699_100000211926 [0,0,1,0,0,0|2,1,0]=4 124 B11R1.4 OCCOCCn1cccc1 34a_100000179382_100000211926 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.4 OCCOCCn1ccnc1 34a_100000719764_100000211926 [0,0,1,0,0,0|3,0,0]=4 126 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [0,0,0,0,1,0|2,0,0]=3 127 B10R1.9 CCC(NC)c1cccs1 2230a_100000743277_200000210301 [1,0,1,0,0,0|2,0,0]=4 128 B10R1.9 CCC(NC)c1cccs1 269862a_106832991636_100000211688 [1,0,1,0,0,0|2,0,0]=4 129 B10R1.9 CCC(N[13CH3])c1cccs1 2230a_100000743277_200025704644 [1,0,1,0,0,0|2,0,0]=4 130 B10R1.9 CNC(CO)c1cccs1 2230a_100102422791_200000210301 [1,0,1,0,0,0|2,0,0]=4 131 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [1,0,1,0,0,0|0,1,0]=3 132 B10R1.9 COC(CN)c1ccsc1 34a_100000758718_200000210301 [1,0,1,0,0,0|2,0,0]=4 133 B10R1.9 [13CH3]NC(CO)c1cccs1 2230a_100102422791_200025704644 [1,0,1,0,0,0|2,0,0]=4 134 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [1,0,1,0,0,0|0,1,0]=3 135 B10R1.9 [13CH3]OC(CN)c1ccsc1 34a_100000758718_200025704644 [1,0,1,0,0,0|2,0,0]=4 136 B10R1.11 CC(OCF)c1nccs1 7a_100000751044_100015361967 [1,0,1,0,0,0|2,0,0]=4 137 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [1,0,1,0,0,0|2,0,0]=4 138 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [1,0,1,0,0,0|1,0,0]=3 139 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [1,0,1,0,0,0|1,0,0]=3 140 B10R1.11 CCNC(C)c1nccs1 2230a_100000725601_100000210202 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [1,0,1,0,0,0|1,1,0]=4 142 B10R1.11 CCOC(C)c1ccsc1 34a_100011350980_100000210202 [1,0,1,0,0,0|2,0,0]=4 143 B10R1.11 CCOC(C)c1ccsc1 7a_100011350980_100000210202 [1,0,1,0,0,0|2,0,0]=4 144 B10R1.11 CCOC(C)c1nccs1 7a_100000751044_100000210202 [1,0,1,0,0,0|1,0,0]=3 145 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,0,1,0,0,0|0,1,0]=3 146 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,0,1,0,0,0|0,1,0]=3 147 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [1,0,1,0,0,0|0,0,0]=2 148 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.11 C[C@@H](OCF)c1cccs1 7a_100000750433_100015361967 [1,0,1,0,0,0|1,0,0]=3 150 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [1,0,1,0,0,0|1,1,0]=4 151 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [1,0,1,0,0,0|1,1,0]=4 152 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [1,0,1,0,0,0|1,0,0]=3 154 B10R1.21 BrCCOCc1cscn1 34a_100000211926_100000205941 [1,0,1,0,0,0|2,0,0]=4 155 B10R1.21 C#CCOCc1ccsc1 34a_100000210247_100011261437 [1,0,1,0,0,0|1,0,1]=4 156 B10R1.21 C#CCOCc1ccsc1 34a_100011215551_100000184674 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.21 C=CCOCc1ccsc1 34a_100011215551_100015514636 [1,0,1,0,0,0|1,0,1]=4 158 B10R1.21 C=CCOCc1ccsc1 34a_200000210373_100011261437 [1,0,1,0,0,0|1,0,1]=4 159 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [1,0,1,0,0,0|2,0,0]=4 161 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [1,0,1,0,0,0|2,0,0]=4 163 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [1,0,1,0,0,0|2,0,0]=4 165 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [1,0,1,0,0,0|1,1,0]=4 168 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [1,0,1,0,0,0|1,0,0]=3 169 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [1,0,1,0,0,0|1,0,0]=3 170 B10R1.21 CCCOCc1cscn1 34a_100000210258_100000205941 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [1,0,1,0,0,0|1,1,0]=4 172 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [1,0,1,0,0,0|1,1,0]=4 173 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [1,0,1,0,0,0|1,0,0]=3 174 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [1,0,1,0,0,0|1,0,0]=3 175 B10R1.21 CCOC=Cc1ccsc1 271570a_100016256518_100000738268 [1,0,1,0,0,0|0,0,2]=4 176 B10R1.21 CCOCC[n+]1ccsc1 34a_200000100414_100000210202 [1,0,1,0,0,0|1,0,0]=3 177 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,0,1,0,0,0|2,0,0]=4 178 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,0,1,0,0,0|2,0,0]=4 179 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,0,1,0,0,0|2,0,0]=4 180 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [1,0,1,0,0,0|0,0,0]=2 181 B10R1.21 CCOCCc1cn[nH]c1 34a_100000766553_100000210202 [1,0,1,0,0,0|2,0,0]=4 182 B10R1.21 CCOCCc1cnoc1 34a_100000732699_100000210202 [1,0,1,0,0,0|1,1,0]=4 183 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [1,0,1,0,0,0|2,0,0]=4 184 B10R1.21 CCOCCn1ccnc1 34a_100000719764_100000210202 [1,0,1,0,0,0|2,0,0]=4 185 B10R1.21 CCOCSc1ccoc1 62a_100000739092_100011215275 [1,0,1,0,0,0|1,1,0]=4 186 B10R1.21 CCOCSc1ccoc1 62a_100011215275_100000739092 [1,0,1,0,0,0|1,1,0]=4 187 B10R1.21 CCOCSc1ccsc1 62a_100000738268_100000739092 [1,0,1,0,0,0|1,0,0]=3 188 B10R1.21 CCOCSc1ccsc1 62a_100000739092_100000738268 [1,0,1,0,0,0|1,0,0]=3 189 B10R1.21 CCOCSc1ccsn1 62a_100000739092_100009818082 [1,0,1,0,0,0|2,0,0]=4 190 B10R1.21 CCOCSc1ccsn1 62a_100009818082_100000739092 [1,0,1,0,0,0|2,0,0]=4 191 B10R1.21 CCOCSc1cnsc1 62a_100000739092_100009815736 [1,0,1,0,0,0|2,0,0]=4 192 B10R1.21 CCOCSc1cnsc1 62a_100009815736_100000739092 [1,0,1,0,0,0|2,0,0]=4 193 B10R1.21 CCOCSc1cscn1 62a_100000739092_100000751502 [1,0,1,0,0,0|2,0,0]=4 194 B10R1.21 CCOCSc1cscn1 62a_100000751502_100000739092 [1,0,1,0,0,0|2,0,0]=4 195 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [1,0,1,0,0,0|2,0,0]=4 196 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [1,0,1,0,0,0|2,0,0]=4 197 B10R1.21 CSCOCc1ccsc1 34a_100011215551_100011218213 [1,0,1,0,0,0|2,0,0]=4 198 B10R1.21 FCCCOc1ccsc1 34a_100000106738_100011934791 [1,0,1,0,0,0|2,0,0]=4 199 B10R1.21 FCCCOc1ccsc1 7a_100000106738_100011934791 [1,0,1,0,0,0|2,0,0]=4 200 B10R1.21 FCCCSc1ccsc1 62a_100000738268_100011934791 [1,0,1,0,0,0|2,0,0]=4 201 B10R1.21 FCCCSc1ccsc1 62a_100011934791_100000738268 [1,0,1,0,0,0|2,0,0]=4 202 B10R1.21 FCCNCc1ccsc1 2230a_100000186416_100011217306 [1,0,1,0,0,0|2,0,0]=4 203 B10R1.21 FCCNCc1ccsc1 34a_100000186416_100011217306 [1,0,1,0,0,0|2,0,0]=4 204 B10R1.21 FCCNCc1ccsc1 34a_100000724931_100011261437 [1,0,1,0,0,0|2,0,0]=4 205 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [1,0,1,0,0,0|1,1,0]=4 206 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [1,0,1,0,0,0|1,0,0]=3 207 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [1,0,1,0,0,0|1,1,0]=4 208 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [1,0,1,0,0,0|1,1,0]=4 209 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [1,0,1,0,0,0|2,0,0]=4 210 B10R1.21 FCOCC[n+]1ccsc1 34a_200000100414_100015361967 [1,0,1,0,0,0|2,0,0]=4 211 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [1,0,1,0,0,0|1,0,0]=3 212 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [1,0,1,0,0,0|2,0,0]=4 213 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [1,0,1,0,0,0|2,0,0]=4 214 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [1,0,1,0,0,0|1,1,0]=4 215 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [1,0,1,0,0,0|0,0,0]=2 216 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [1,0,1,0,0,0|2,0,0]=4 217 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [1,0,1,0,0,0|1,0,0]=3 218 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,0,1,0,0,0|1,0,1]=4 219 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [1,0,1,0,0,0|2,0,0]=4 220 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [1,0,1,0,0,0|2,0,0]=4 221 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [1,0,1,0,0,0|2,0,0]=4 222 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [1,0,1,0,0,0|2,0,0]=4 223 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [1,0,1,0,0,0|2,0,0]=4 224 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [1,0,1,0,0,0|2,0,0]=4 225 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [1,0,1,0,0,0|2,0,0]=4 226 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [1,0,1,0,0,0|2,0,0]=4 227 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [1,0,1,0,0,0|2,0,0]=4 228 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [1,0,1,0,0,0|2,0,0]=4 229 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [1,0,1,0,0,0|1,1,0]=4 230 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [1,0,1,0,0,0|1,0,0]=3 231 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [1,0,1,0,0,0|1,1,0]=4 232 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [1,0,1,0,0,0|1,1,0]=4 233 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [1,0,1,0,0,0|2,0,0]=4 235 B10R1.5 CCSc1sccc1CC 62a_100000210202_200009875468 [1,0,1,0,0,0|2,0,0]=4 236 B10R1.5 CCSc1sccc1CC 62a_200009875468_100000210202 [1,0,1,0,0,0|2,0,0]=4 237 B10R1.5 CCSc1sccc1CO 62a_100000210202_100009816922 [1,0,1,0,0,0|2,0,0]=4 238 B10R1.5 CCSc1sccc1CO 62a_100009816922_100000210202 [1,0,1,0,0,0|2,0,0]=4 239 B10R1.5 CCc1ccsc1SCF 62a_100015361967_200009875468 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.5 CCc1ccsc1SCF 62a_200009875468_100015361967 [1,0,1,0,0,0|2,0,0]=4 241 B10R1.5 OCc1ccsc1SCF 62a_100009816922_100015361967 [1,0,1,0,0,0|2,0,0]=4 242 B10R1.5 OCc1ccsc1SCF 62a_100015361967_100009816922 [1,0,1,0,0,0|2,0,0]=4 243 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [1,0,1,0,0,0|1,0,1]=4 244 B10R1.149 CNC(C)c1sccc1Br 269862a_106832991636_100000738688 [1,0,1,0,0,0|2,0,0]=4 245 B12R1.2 CCNC(CC)c1ccc(s1)Br 269862a_100015525214_200011203577 [0,1,1,0,0,0|2,0,0]=4 246 B12R1.2 CCNC(CC)c1ccc(s1)C 269862a_100015525214_100011203523 [0,1,1,0,0,0|2,0,0]=4 247 B12R1.2 CCNC(CC)c1ccc(s1)Cl 269862a_100015525214_100000238488 [0,1,1,0,0,0|2,0,0]=4 248 B12R1.36 C#CCOC(CN)c1ccco1 34a_100000738650_100000184674 [0,1,1,0,0,0|0,1,1]=4 249 B12R1.36 C=CCOC(CN)c1ccco1 34a_100000738650_100015514636 [0,1,1,0,0,0|0,1,1]=4 250 B12R1.36 CCC(NCCF)c1cccs1 2230a_100000743277_100011217306 [0,1,1,0,0,0|2,0,0]=4 251 B12R1.36 CCC(NCCF)c1cccs1 269862a_100000724931_100000211688 [0,1,1,0,0,0|2,0,0]=4 252 B12R1.36 CCC(NCCO)c1cccs1 2230a_100000743277_100000211926 [0,1,1,0,0,0|2,0,0]=4 253 B12R1.36 CCC(NCCO)c1cccs1 269862a_100000210304_100000211688 [0,1,1,0,0,0|2,0,0]=4 254 B12R1.36 CCC(NCOC)c1cccs1 2230a_100000743277_100000766300 [0,1,1,0,0,0|2,0,0]=4 255 B12R1.36 CCC(NCSC)c1cccs1 2230a_100000743277_100011218213 [0,1,1,0,0,0|2,0,0]=4 256 B12R1.36 CCCNC(CC)c1cccs1 2230a_100000743277_100000210303 [0,1,1,0,0,0|2,0,0]=4 257 B12R1.36 CCCNC(CC)c1cccs1 269862a_100020643023_100000211688 [0,1,1,0,0,0|2,0,0]=4 258 B12R1.36 CCCNC(CO)c1cccs1 2230a_100102422791_100000210303 [0,1,1,0,0,0|2,0,0]=4 259 B12R1.36 CCCOC(CN)c1ccco1 34a_100000738650_100000210303 [0,1,1,0,0,0|0,1,0]=3 260 B12R1.36 CCCOC(CN)c1ccsc1 34a_100000758718_100000210303 [0,1,1,0,0,0|2,0,0]=4 261 B12R1.36 COCNC(CO)c1cccs1 2230a_100102422791_100000766300 [0,1,1,0,0,0|2,0,0]=4 262 B12R1.36 CSCNC(CO)c1cccs1 2230a_100102422791_100011218213 [0,1,1,0,0,0|2,0,0]=4 263 B12R1.36 CSCOC(CN)c1ccco1 34a_100000738650_100011218213 [0,1,1,0,0,0|0,1,0]=3 264 B12R1.36 CSCOC(CN)c1ccsc1 34a_100000758718_100011218213 [0,1,1,0,0,0|2,0,0]=4 265 B12R1.36 NCC(OCC=O)c1ccco1 34a_100000738650_200009817547 [0,1,1,0,0,0|0,1,1]=4 266 B12R1.36 NCC(OCCF)c1ccco1 34a_100000738650_100011217306 [0,1,1,0,0,0|0,1,0]=3 267 B12R1.36 NCC(OCCF)c1ccsc1 34a_100000758718_100011217306 [0,1,1,0,0,0|2,0,0]=4 268 B12R1.36 NCC(OCCO)c1ccco1 34a_100000738650_100000211926 [0,1,1,0,0,0|0,1,0]=3 269 B12R1.36 NCC(OCCO)c1ccsc1 34a_100000758718_100000211926 [0,1,1,0,0,0|2,0,0]=4 270 B12R1.36 OCC(NCCF)c1cccs1 2230a_100102422791_100011217306 [0,1,1,0,0,0|2,0,0]=4 271 B12R1.36 OCCNC(CO)c1cccs1 2230a_100102422791_100000211926 [0,1,1,0,0,0|2,0,0]=4 272 B12R1.293 C=CCC(OCC)c1ccco1 34a_100011729935_100000210202 [0,1,1,0,0,0|1,1,0]=4 273 B12R1.293 C=CCC(OCC)c1ccco1 7a_100011729935_100000210202 [0,1,1,0,0,0|1,1,0]=4 274 B12R1.293 CCCC(NCC)c1cccs1 2230a_200015187693_100000210202 [0,1,1,0,0,0|2,0,0]=4 275 B12R1.293 CCCC(NCC)c1cccs1 269862a_100015525214_100011218182 [0,1,1,0,0,0|2,0,0]=4 276 B12R1.293 CCCC(NCC)c1cccs1 34a_200015187693_100000210202 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.293 CCCC(NCF)c1cccs1 34a_200015187693_100015361967 [0,1,1,0,0,0|2,0,0]=4 278 B12R1.476 CC(C)NC(CO)c1cccs1 2230a_100102422791_100000210206 [0,1,1,0,0,0|2,0,0]=4 279 B12R1.476 CC(C)OC(CN)c1ccco1 34a_100000738650_100000210206 [0,1,1,0,0,0|0,1,0]=3 280 B12R1.476 CC(C)OC(CN)c1ccsc1 34a_100000758718_100000210206 [0,1,1,0,0,0|2,0,0]=4 281 B12R1.476 CCC(NC(C)C)c1cccs1 2230a_100000743277_100000210206 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.7 CCCOCCc1csc(n1)C 34a_100000210258_100000695623 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.7 CCCOCCc1csc(n1)C 34a_100011934828_100000210303 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.7 Cc1nc(cs1)CCOCCBr 34a_100000211926_100000695623 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.7 Cc1nc(cs1)CCOCCF 34a_100011934828_100011217306 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.7 Cc1nc(cs1)CCOCCN 34a_100000210304_100000695623 [0,1,1,0,0,0|1,0,0]=3 287 B12R1.7 Cc1nc(cs1)CCOCCO 34a_100011934828_100000211926 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.35 CCCNCC(O)c1ccsc1 2230a_100000758718_100000210303 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.35 CCCNCC(O)c1ccsc1 34a_100000758718_100000210303 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.35 CCCOCC(=O)c1ccsc1 34a_100000210258_100011219462 [0,1,1,0,0,0|1,0,1]=4 291 B12R1.35 NCCOCC(=O)c1ccsc1 34a_100000210304_100011219462 [0,1,1,0,0,0|0,0,1]=3 292 B12R1.35 O=C(COCCBr)c1ccsc1 34a_100000211926_100011219462 [0,1,1,0,0,0|1,0,1]=4 293 B12R1.35 OC(CNCCF)c1ccsc1 2230a_100000758718_100011217306 [0,1,1,0,0,0|2,0,0]=4 294 B12R1.35 OC(CNCCF)c1ccsc1 34a_100000758718_100011217306 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.35 OCCNCC(O)c1ccsc1 2230a_100000758718_100000211926 [0,1,1,0,0,0|2,0,0]=4 296 B12R1.35 OCCNCC(O)c1ccsc1 34a_100000758718_100000211926 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.37 BrCCCCOCc1ccsc1 34a_100011216708_100011261437 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.37 C#CCCNCCc1ccsc1 2230a_100000692642_100000688953 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.37 C#CCCNCCc1ccsc1 34a_100000692642_100000688953 [0,1,1,0,0,0|2,0,0]=4 300 B12R1.37 C#CCCOCC[n+]1ccsc1 34a_200000100414_100000688953 [0,1,1,0,0,0|2,0,0]=4 301 B12R1.37 C#CCCOCCc1ccsc1 34a_100000748821_100000688953 [0,1,1,0,0,0|1,0,0]=3 302 B12R1.37 C#CCOCCCc1ccsc1 34a_200000699776_100000184674 [0,1,1,0,0,0|1,0,1]=4 303 B12R1.37 C#CCOCCCc1ccsc1 7a_200000699776_100000038162 [0,1,1,0,0,0|1,0,1]=4 304 B12R1.37 C#CCOCCOc1ccsc1 34a_100000106738_100010402529 [0,1,1,0,0,0|1,0,1]=4 305 B12R1.37 C#CCOCCOc1ccsc1 7a_100000106738_100010402529 [0,1,1,0,0,0|1,0,1]=4 306 B12R1.37 C#CCOCCSc1ccsc1 62a_100000738268_100010402529 [0,1,1,0,0,0|1,0,1]=4 307 B12R1.37 C#CCOCCSc1ccsc1 62a_100010402529_100000738268 [0,1,1,0,0,0|1,0,1]=4 308 B12R1.37 C/C=C/COCCc1ccsc1 34a_100000748821_100102629194 [0,1,1,0,0,0|1,0,1]=4 309 B12R1.37 C=CCCNCCc1ccsc1 2230a_100000692642_100000754431 [0,1,1,0,0,0|2,0,0]=4 310 B12R1.37 C=CCCNCCc1ccsc1 34a_100000692642_100000754431 [0,1,1,0,0,0|2,0,0]=4 311 B12R1.37 C=CCCOCC[n+]1ccsc1 34a_200000100414_100000754431 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.37 C=CCCOCCc1ccsc1 34a_100000748821_100000754431 [0,1,1,0,0,0|1,0,0]=3 313 B12R1.37 C=CCOCCCc1ccsc1 34a_200000699776_100015514636 [0,1,1,0,0,0|1,0,1]=4 314 B12R1.37 C=CCOCCCc1ccsc1 7a_200000699776_100015514636 [0,1,1,0,0,0|1,0,1]=4 315 B12R1.37 CC#CCOCCc1ccsc1 34a_100000748821_100000748600 [0,1,1,0,0,0|1,0,1]=4 316 B12R1.37 CC=CCOCCc1ccsc1 34a_100000748821_100000070051 [0,1,1,0,0,0|1,0,1]=4 317 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,1,1,0,0,0|2,0,0]=4 318 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,1,1,0,0,0|2,0,0]=4 319 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,1,1,0,0,0|2,0,0]=4 320 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,1,1,0,0,0|2,0,0]=4 321 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [0,1,1,0,0,0|2,0,0]=4 322 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [0,1,1,0,0,0|2,0,0]=4 323 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [0,1,1,0,0,0|2,0,0]=4 324 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [0,1,1,0,0,0|2,0,0]=4 325 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [0,1,1,0,0,0|2,0,0]=4 326 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [0,1,1,0,0,0|2,0,0]=4 327 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [0,1,1,0,0,0|2,0,0]=4 328 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [0,1,1,0,0,0|2,0,0]=4 329 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [0,1,1,0,0,0|2,0,0]=4 330 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [0,1,1,0,0,0|2,0,0]=4 331 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [0,1,1,0,0,0|2,0,0]=4 332 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [0,1,1,0,0,0|2,0,0]=4 333 B12R1.37 CCCCOCC[n+]1ccsc1 34a_200000100414_100000210210 [0,1,1,0,0,0|2,0,0]=4 334 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,1,1,0,0,0|1,0,0]=3 335 B12R1.37 CCCCOCOc1ccsc1 34a_100000106738_100011995733 [0,1,1,0,0,0|2,0,0]=4 336 B12R1.37 CCCCOCSc1ccsc1 62a_100000738268_100011995733 [0,1,1,0,0,0|2,0,0]=4 337 B12R1.37 CCCCOCSc1ccsc1 62a_100011995733_100000738268 [0,1,1,0,0,0|2,0,0]=4 338 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [0,1,1,0,0,0|1,0,0]=3 339 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [0,1,1,0,0,0|1,0,0]=3 340 B12R1.37 CCCOCCOc1ccsc1 34a_100000106738_100011215938 [0,1,1,0,0,0|1,0,0]=3 341 B12R1.37 CCCOCCOc1ccsc1 7a_100000106738_100011215938 [0,1,1,0,0,0|1,0,0]=3 342 B12R1.37 CCCOCCSc1ccoc1 62a_100011215275_100011215938 [0,1,1,0,0,0|1,1,0]=4 343 B12R1.37 CCCOCCSc1ccoc1 62a_100011215938_100011215275 [0,1,1,0,0,0|1,1,0]=4 344 B12R1.37 CCCOCCSc1ccsc1 62a_100000738268_100011215938 [0,1,1,0,0,0|1,0,0]=3 345 B12R1.37 CCCOCCSc1ccsc1 62a_100011215938_100000738268 [0,1,1,0,0,0|1,0,0]=3 346 B12R1.37 CCCOCCSc1ccsn1 62a_100009818082_100011215938 [0,1,1,0,0,0|2,0,0]=4 347 B12R1.37 CCCOCCSc1ccsn1 62a_100011215938_100009818082 [0,1,1,0,0,0|2,0,0]=4 348 B12R1.37 CCCOCCSc1cnsc1 62a_100009815736_100011215938 [0,1,1,0,0,0|2,0,0]=4 349 B12R1.37 CCCOCCSc1cnsc1 62a_100011215938_100009815736 [0,1,1,0,0,0|2,0,0]=4 350 B12R1.37 CCCOCCSc1cscn1 62a_100000751502_100011215938 [0,1,1,0,0,0|2,0,0]=4 351 B12R1.37 CCCOCCSc1cscn1 62a_100011215938_100000751502 [0,1,1,0,0,0|2,0,0]=4 352 B12R1.37 CNCCCOCc1ccsc1 34a_100000213112_100011261437 [0,1,1,0,0,0|2,0,0]=4 353 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [0,1,1,0,0,0|2,0,0]=4 354 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [0,1,1,0,0,0|2,0,0]=4 355 B12R1.37 COCCOCC[n+]1ccsc1 34a_200000100414_100011201679 [0,1,1,0,0,0|2,0,0]=4 356 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [0,1,1,0,0,0|1,0,0]=3 357 B12R1.37 COCCOCSc1ccsc1 62a_100000231047_100000738268 [0,1,1,0,0,0|2,0,0]=4 358 B12R1.37 COCCOCSc1ccsc1 62a_100000738268_100000231047 [0,1,1,0,0,0|2,0,0]=4 359 B12R1.37 CSCCNCCc1ccsc1 2230a_100000692642_100000751147 [0,1,1,0,0,0|2,0,0]=4 360 B12R1.37 CSCCNCCc1ccsc1 34a_100000692642_100000212216 [0,1,1,0,0,0|2,0,0]=4 361 B12R1.37 CSCCOCC[n+]1ccsc1 34a_200000100414_100000212216 [0,1,1,0,0,0|2,0,0]=4 362 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [0,1,1,0,0,0|1,0,0]=3 363 B12R1.37 CSCOCCCc1ccsc1 34a_200000699776_100011218213 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.37 ClCCCCOCc1ccsc1 34a_100000210776_100011261437 [0,1,1,0,0,0|2,0,0]=4 365 B12R1.37 ClCCCCOCc1ccsc1 7a_100000210776_100011261437 [0,1,1,0,0,0|2,0,0]=4 366 B12R1.37 FCCCCCOc1ccsc1 34a_100000106738_100000729378 [0,1,1,0,0,0|2,0,0]=4 367 B12R1.37 FCCCCCOc1ccsc1 7a_100000106738_100000729378 [0,1,1,0,0,0|2,0,0]=4 368 B12R1.37 FCCCCCSc1ccsc1 62a_100000729378_100000738268 [0,1,1,0,0,0|2,0,0]=4 369 B12R1.37 FCCCCCSc1ccsc1 62a_100000738268_100000729378 [0,1,1,0,0,0|2,0,0]=4 370 B12R1.37 FCCCCNCc1ccsc1 2230a_100000186416_100000729493 [0,1,1,0,0,0|2,0,0]=4 371 B12R1.37 FCCCCNCc1ccsc1 34a_100000186416_100000729493 [0,1,1,0,0,0|2,0,0]=4 372 B12R1.37 FCCCCOCc1ccsc1 34a_100011215551_100000729493 [0,1,1,0,0,0|2,0,0]=4 373 B12R1.37 FCCCCOCc1ccsc1 34a_100011995726_100011261437 [0,1,1,0,0,0|2,0,0]=4 374 B12R1.37 FCCCCOCc1ccsc1 7a_100011995726_100011261437 [0,1,1,0,0,0|2,0,0]=4 375 B12R1.37 FCCCCSCc1ccsc1 62a_100000729493_100011233845 [0,1,1,0,0,0|2,0,0]=4 376 B12R1.37 FCCCCSCc1ccsc1 62a_100011261437_100000729493 [0,1,1,0,0,0|2,0,0]=4 377 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [0,1,1,0,0,0|2,0,0]=4 379 B12R1.37 FCCCOCC[n+]1ccsc1 34a_200000100414_100011934791 [0,1,1,0,0,0|2,0,0]=4 380 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [0,1,1,0,0,0|1,0,0]=3 381 B12R1.37 FCCOCCCc1ccsc1 34a_200000699776_100011217306 [0,1,1,0,0,0|1,0,0]=3 382 B12R1.37 FCCOCCCc1ccsc1 7a_200000699776_100011217306 [0,1,1,0,0,0|1,0,0]=3 383 B12R1.37 ICCCCOCc1ccsc1 34a_200012148704_100011261437 [0,1,1,0,0,0|2,0,0]=4 384 B12R1.37 N#CCCNCCc1ccsc1 2230a_100000692642_100011215226 [0,1,1,0,0,0|1,0,1]=4 385 B12R1.37 N#CCOCCCc1ccsc1 7a_200000699776_100011215382 [0,1,1,0,0,0|0,0,2]=4 386 B12R1.37 N#CCOCCOc1ccsc1 7a_100000106738_200000047693 [0,1,1,0,0,0|0,0,2]=4 387 B12R1.37 N#CCOCCSc1ccsc1 62a_100000738268_200000047693 [0,1,1,0,0,0|0,0,2]=4 388 B12R1.37 N#CCOCCSc1ccsc1 62a_200000047693_100000738268 [0,1,1,0,0,0|0,0,2]=4 389 B12R1.37 NCCCCOCc1ccsc1 34a_100000750430_100011261437 [0,1,1,0,0,0|1,0,0]=3 390 B12R1.37 NCCCCOCc1cscn1 34a_100000750430_100000205941 [0,1,1,0,0,0|2,0,0]=4 391 B12R1.37 NCCCOCCc1cccs1 34a_100000182051_100000748579 [0,1,1,0,0,0|2,0,0]=4 392 B12R1.37 NCCOCCCc1cccs1 34a_100000210304_100010992444 [0,1,1,0,0,0|2,0,0]=4 393 B12R1.37 NCCOCCCn1cccc1 34a_100000210304_200009814367 [0,1,1,0,0,0|2,0,0]=4 394 B12R1.37 NCCOCCCn1ccnc1 34a_100000210304_100000756272 [0,1,1,0,0,0|2,0,0]=4 395 B12R1.37 NOCCOCCc1cccs1 34a_100000700252_100000748579 [0,1,1,0,0,0|2,0,0]=4 396 B12R1.37 O=CCOCCCc1ccsc1 34a_200000699776_200009817547 [0,1,1,0,0,0|1,0,1]=4 397 B12R1.37 O=CCOCCCc1ccsc1 7a_200000699776_200015260668 [0,1,1,0,0,0|1,0,1]=4 398 B12R1.37 OCCCCCOc1ccsc1 34a_100000106738_100000746330 [0,1,1,0,0,0|2,0,0]=4 399 B12R1.37 OCCCCCOc1ccsc1 7a_100000106738_100000746330 [0,1,1,0,0,0|2,0,0]=4 400 B12R1.37 OCCCCCSc1ccsc1 62a_100000738268_100000746330 [0,1,1,0,0,0|2,0,0]=4 401 B12R1.37 OCCCCCSc1ccsc1 62a_100000746330_100000738268 [0,1,1,0,0,0|2,0,0]=4 402 B12R1.37 OCCCCNCc1ccsc1 207a_100000750430_100000188534 [0,1,1,0,0,0|2,0,0]=4 403 B12R1.37 OCCCCNCc1ccsc1 2230a_100000186416_100000210776 [0,1,1,0,0,0|2,0,0]=4 404 B12R1.37 OCCCCNCc1ccsc1 2230a_100000750430_100011261437 [0,1,1,0,0,0|2,0,0]=4 405 B12R1.37 OCCCCNCc1ccsc1 270004a_100000750430_100000188534 [0,1,1,0,0,0|2,0,0]=4 406 B12R1.37 OCCCCNCc1ccsc1 34a_100000186416_100011216708 [0,1,1,0,0,0|2,0,0]=4 407 B12R1.37 OCCCCNCc1ccsc1 34a_100000750430_100011261437 [0,1,1,0,0,0|2,0,0]=4 408 B12R1.37 OCCCCOCc1ccsc1 34a_100011215551_100011216708 [0,1,1,0,0,0|2,0,0]=4 409 B12R1.37 OCCCCSCc1ccsc1 62a_100000210776_100011233845 [0,1,1,0,0,0|2,0,0]=4 410 B12R1.37 OCCCCSCc1ccsc1 62a_100011261437_100000210776 [0,1,1,0,0,0|2,0,0]=4 411 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [0,1,1,0,0,0|2,0,0]=4 412 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [0,1,1,0,0,0|2,0,0]=4 413 B12R1.37 OCCCOCC[n+]1ccsc1 34a_200000100414_100000230001 [0,1,1,0,0,0|2,0,0]=4 414 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [0,1,1,0,0,0|1,0,0]=3 415 B12R1.37 OCCOCCCc1ccsc1 34a_200000699776_100000211926 [0,1,1,0,0,0|1,0,0]=3 416 B12R1.37 OCCOCCCc1ccsc1 7a_200000699776_100000211926 [0,1,1,0,0,0|1,0,0]=3 417 B12R1.37 OCCOCCOc1ccsc1 34a_100000106738_100000692535 [0,1,1,0,0,0|1,0,0]=3 418 B12R1.37 OCCOCCOc1ccsc1 7a_100000106738_100011215305 [0,1,1,0,0,0|1,0,0]=3 419 B12R1.37 OCCOCCSc1ccoc1 62a_100011215275_100011215305 [0,1,1,0,0,0|1,1,0]=4 420 B12R1.37 OCCOCCSc1ccoc1 62a_100011215305_100011215275 [0,1,1,0,0,0|1,1,0]=4 421 B12R1.37 OCCOCCSc1ccsc1 62a_100000738268_100011215305 [0,1,1,0,0,0|1,0,0]=3 422 B12R1.37 OCCOCCSc1ccsc1 62a_100011215305_100000738268 [0,1,1,0,0,0|1,0,0]=3 423 B12R1.37 OCCOCCSc1ccsn1 62a_100009818082_100011215305 [0,1,1,0,0,0|2,0,0]=4 424 B12R1.37 OCCOCCSc1ccsn1 62a_100011215305_100009818082 [0,1,1,0,0,0|2,0,0]=4 425 B12R1.37 OCCOCCSc1cnsc1 62a_100009815736_100011215305 [0,1,1,0,0,0|2,0,0]=4 426 B12R1.37 OCCOCCSc1cnsc1 62a_100011215305_100009815736 [0,1,1,0,0,0|2,0,0]=4 427 B12R1.37 OCCOCCSc1cscn1 62a_100000751502_100011215305 [0,1,1,0,0,0|2,0,0]=4 428 B12R1.37 OCCOCCSc1cscn1 62a_100011215305_100000751502 [0,1,1,0,0,0|2,0,0]=4 429 B12R1.51 CCCC(=O)CCc1ccsc1 1458a_100000195497_100000210303 [0,1,1,0,0,0|2,0,0]=4 430 B12R1.51 O=C(CCF)CCc1ccsc1 1458a_100000195497_100011217306 [0,1,1,0,0,0|2,0,0]=4 431 B12R1.51 O=C(CCO)CCc1ccsc1 1458a_100000195497_100000211926 [0,1,1,0,0,0|2,0,0]=4 432 B12R1.53 CC(Cc1ccsc1)NCCF 2230a_100000743546_100011217306 [0,1,1,0,0,0|2,0,0]=4 433 B12R1.53 CC(Cc1ccsc1)NCCF 34a_100000743546_100011217306 [0,1,1,0,0,0|2,0,0]=4 434 B12R1.53 CC(Cc1ccsc1)NCCO 2230a_100000743546_100000211926 [0,1,1,0,0,0|2,0,0]=4 435 B12R1.53 CC(Cc1ccsc1)NCCO 34a_100000743546_100000211926 [0,1,1,0,0,0|2,0,0]=4 436 B12R1.53 CCCNC(C)Cc1ccsc1 2230a_100000743546_100000210303 [0,1,1,0,0,0|2,0,0]=4 437 B12R1.53 CCCNC(C)Cc1ccsc1 34a_100000743546_100000210303 [0,1,1,0,0,0|2,0,0]=4 438 B12R1.255 C=C(C)COCCc1ccsc1 34a_100000748821_100000748629 [0,1,1,0,0,0|1,0,1]=4 439 B12R1.255 C=C(F)COCCc1ccsc1 34a_100000748821_100009893438 [0,1,1,0,0,0|1,0,1]=4 440 B12R1.255 CC(C)CNCCc1ccsc1 2230a_100000692642_100000210760 [0,1,1,0,0,0|2,0,0]=4 441 B12R1.255 CC(C)CNCCc1ccsc1 270004a_100000692642_100000210432 [0,1,1,0,0,0|2,0,0]=4 442 B12R1.255 CC(C)CNCCc1ccsc1 34a_100000692642_100000210624 [0,1,1,0,0,0|2,0,0]=4 443 B12R1.255 CC(C)COCC[n+]1ccsc1 34a_200000100414_100000210624 [0,1,1,0,0,0|2,0,0]=4 444 B12R1.255 CC(C)COCCc1ccsc1 34a_100000748821_100000210624 [0,1,1,0,0,0|1,0,0]=3 445 B12R1.255 CC(O)CNCCc1ccsc1 2230a_100000692642_100011218427 [0,1,1,0,0,0|2,0,0]=4 446 B12R1.255 CC(O)CNCCc1ccsc1 34a_100000692642_100011218427 [0,1,1,0,0,0|2,0,0]=4 447 B12R1.255 CC(O)COCC[n+]1ccsc1 34a_200000100414_100011218427 [0,1,1,0,0,0|2,0,0]=4 448 B12R1.255 CC(O)COCCc1ccsc1 34a_100000748821_100011218427 [0,1,1,0,0,0|1,0,0]=3 449 B12R1.255 C[C@@H](N)CCOCc1ccsc1 34a_100000706166_100011261437 [0,1,1,0,0,0|2,0,0]=4 450 B12R1.255 C[C@@H](N)COCCc1cccs1 34a_100000737577_100000748579 [0,1,1,0,0,0|2,0,0]=4 451 B12R1.255 C[C@@H](O)CNCCc1ccsc1 2230a_100000692642_100009817552 [0,1,1,0,0,0|2,0,0]=4 452 B12R1.255 C[C@@H](O)CNCCc1ccsc1 34a_100000692642_100009817552 [0,1,1,0,0,0|2,0,0]=4 453 B12R1.255 C[C@@H](O)COCC[n+]1ccsc1 34a_200000100414_100009817552 [0,1,1,0,0,0|2,0,0]=4 454 B12R1.255 C[C@@H](O)COCCc1ccsc1 34a_100000748821_100009817552 [0,1,1,0,0,0|1,0,0]=3 455 B12R1.255 FC(F)CNCCc1ccsc1 2230a_100000692642_100011934356 [0,1,1,0,0,0|2,0,0]=4 456 B12R1.255 FC(F)CNCCc1ccsc1 34a_100000692642_100011934356 [0,1,1,0,0,0|2,0,0]=4 457 B12R1.255 FC(F)COCC[n+]1ccsc1 34a_200000100414_100011934356 [0,1,1,0,0,0|2,0,0]=4 458 B12R1.255 FC(F)COCCc1ccsc1 34a_100000748821_100011934356 [0,1,1,0,0,0|1,0,0]=3 459 B12R1.255 NC(=O)CNCCc1ccsc1 2230a_100000692642_100000747473 [0,1,1,0,0,0|1,0,1]=4 460 B12R1.255 NC(=O)CNCCc1ccsc1 34a_100000692642_100000187820 [0,1,1,0,0,0|1,0,1]=4 461 B12R1.255 NC(=O)COCC[n+]1ccsc1 34a_200000100414_100000187820 [0,1,1,0,0,0|1,0,1]=4 462 B12R1.255 NC(=O)COCCc1ccsc1 34a_100000748821_100000187820 [0,1,1,0,0,0|0,0,1]=3 463 B12R1.255 O=C([O-])COCCc1ccsc1 34a_100000748821_100020667443 [0,1,1,0,0,0|1,0,1]=4 464 B12R1.255 O=[N+]([O-])COCCc1ccsc1 34a_100000748821_100000761209 [0,1,1,0,0,0|2,0,0]=4 465 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [0,1,1,0,0,0|2,0,0]=4 466 B12R1.372 Cc1ncsc1CCOCCN 34a_100000210304_100000057103 [0,1,1,0,0,0|2,0,0]=4 467 B12R1.372 NCCCOCc1ccsc1Br 34a_100000182051_100009814289 [0,1,1,0,0,0|2,0,0]=4 468 B12R1.372 NCCCOCc1ccsc1Cl 34a_100000182051_100010167017 [0,1,1,0,0,0|2,0,0]=4 469 B12R1.477 C#CC(C)OCCc1ccsc1 34a_100000748821_200000035995 [0,1,1,0,0,0|1,0,1]=4 470 B12R1.477 CC(CN)COCc1ccsc1 34a_100000744482_100011261437 [0,1,1,0,0,0|2,0,0]=4 471 B12R1.477 CC(CN)OCCc1cccs1 34a_100000210904_100000748579 [0,1,1,0,0,0|2,0,0]=4 472 B12R1.477 CC(CO)NCCc1ccsc1 2230a_100000692642_100012180447 [0,1,1,0,0,0|2,0,0]=4 473 B12R1.477 CC(CO)NCCc1ccsc1 34a_100000692642_100012180447 [0,1,1,0,0,0|2,0,0]=4 474 B12R1.477 CC(CO)OCC[n+]1ccsc1 34a_200000100414_100012180447 [0,1,1,0,0,0|2,0,0]=4 475 B12R1.477 CC(CO)OCCc1ccsc1 34a_100000748821_100012180447 [0,1,1,0,0,0|1,0,0]=3 476 B12R1.477 CCC(C)NCCc1ccsc1 2230a_100000692642_100000758301 [0,1,1,0,0,0|2,0,0]=4 477 B12R1.477 CCC(C)NCCc1ccsc1 34a_100000692642_100011215416 [0,1,1,0,0,0|2,0,0]=4 478 B12R1.477 CCC(C)OCC[n+]1ccsc1 34a_200000100414_100011215416 [0,1,1,0,0,0|2,0,0]=4 479 B12R1.477 CCC(C)OCCc1ccsc1 34a_100000748821_100011215416 [0,1,1,0,0,0|1,0,0]=3 480 B12R1.477 NC[C@@H](F)COCc1ccsc1 34a_100015665980_100011261437 [0,1,1,0,0,0|2,0,0]=4 481 B12R1.320 CNCc1sccc1SCCO 62a_100000211926_100000767120 [0,1,1,0,0,0|2,0,0]=4 482 B12R1.320 CNCc1sccc1SCCO 62a_100000767120_100000211926 [0,1,1,0,0,0|2,0,0]=4 483 B12R2.144 CCNC1CCc2c1scc2 269862a_100015525214_100000080523 [0,1,0,0,1,0|1,0,0]=3 484 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [0,1,0,0,0,1|1,0,0]=3 485 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [0,1,0,0,0,1|1,0,0]=3 486 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [0,1,0,0,0,1|1,0,0]=3 487 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [0,1,0,0,0,1|1,0,0]=3 488 B14R2.892 CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210202 [0,2,0,0,0,0|2,0,0]=4 489 B14R2.892 CCNCC1OCCc2c1ccs2 34a_100025773454_100000210202 [0,2,0,0,0,0|2,0,0]=4 490 B14R2.892 FCNCC1OCCc2c1ccs2 34a_100025773454_100015361967 [0,2,0,0,0,0|2,0,0]=4 491 B12R2.2383 c1c[n+](cs1)CCOC2CC2 34a_200000100414_100000211595 [0,0,1,1,0,0|2,0,0]=4 492 B12R2.2383 c1cc(cs1)CCNC2CC2 34a_100000692642_100000211595 [0,0,1,1,0,0|2,0,0]=4 493 B12R2.2383 c1cc(cs1)CCOC2CC2 34a_100000748821_100000211595 [0,0,1,1,0,0|1,0,0]=3 494 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,0,1,0,0,1|2,0,0]=4 495 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,0,1,0,0,1|2,0,0]=4 496 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,0,1,0,0,1|2,0,0]=4 497 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,0,1,0,0,1|1,0,0]=3 498 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,0,1,0,0,1|2,0,0]=4 499 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,0,1,0,0,1|2,0,0]=4 500 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,0,1,0,0,1|2,0,0]=4 501 B12R1.72 CCCC(CC)Sc1cccs1 62a_100011215356_100011219200 [0,0,1,0,0,1|2,0,0]=4 502 B12R1.72 CCCC(CC)Sc1cccs1 62a_100011219200_100011215356 [0,0,1,0,0,1|2,0,0]=4 503 B12R1.72 COCC(CN)Cc1cccs1 34a_114948341022_200000210301 [0,0,1,0,0,1|2,0,0]=4 504 B12R1.72 [13CH3]OCC(CN)Cc1cccs1 34a_114948341022_200025704644 [0,0,1,0,0,1|2,0,0]=4 505 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,0,1,0,0,1|2,0,0]=4 506 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,0,1,0,0,1|2,0,0]=4 507 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,0,1,0,0,1|2,0,0]=4 508 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,0,1,0,0,1|2,0,0]=4 509 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,0,1,0,0,1|2,0,0]=4 510 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,0,1,0,0,1|2,0,0]=4 511 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,0,1,0,0,1|2,0,0]=4 512 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,0,1,0,0,1|2,0,0]=4 513 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,0,1,0,0,1|2,0,0]=4 514 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,0,1,0,0,1|2,0,0]=4 515 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,0,1,0,0,1|2,0,0]=4 516 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,0,1,0,0,1|2,0,0]=4 517 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,0,1,0,0,1|2,0,0]=4 518 B12R1.8 FCCOCCc1ccncc1 34a_100011216225_100011217306 [0,0,1,0,0,1|2,0,0]=4 519 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,0,1,0,0,1|2,0,0]=4 520 B12R1.8 FCCOCCc1cncnc1 34a_100011709255_100011217306 [0,0,1,0,0,1|2,0,0]=4 521 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,0,1,0,0,1|1,0,0]=3 522 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,0,1,0,0,1|2,0,0]=4 523 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,0,1,0,0,1|2,0,0]=4 524 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,0,1,0,0,1|2,0,0]=4 525 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,0,1,0,0,1|2,0,0]=4 526 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [0,0,1,0,0,1|2,0,0]=4 527 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,0,1,0,0,1|2,0,0]=4 528 B12R1.8 OCCOCCc1cncnc1 34a_100011709255_100000211926 [0,0,1,0,0,1|2,0,0]=4 529 B12R1.82 CCc1ccsc1SC(C)CC 62a_100000758301_200009875468 [0,0,1,0,0,1|2,0,0]=4 530 B12R1.82 CCc1ccsc1SC(C)CC 62a_200009875468_100000758301 [0,0,1,0,0,1|2,0,0]=4 531 B12R1.82 CCc1ccsc1SC(C)CO 62a_100012180447_200009875468 [0,0,1,0,0,1|2,0,0]=4 532 B12R1.82 CCc1ccsc1S[C@H](C)CO 62a_100016084084_200009875468 [0,0,1,0,0,1|2,0,0]=4 533 B12R1.82 CCc1ccsc1S[C@H](C)CO 62a_200009875468_100016084084 [0,0,1,0,0,1|2,0,0]=4 534 B12R1.243 COC(CN)c1ccccc1Br 34a_100011236429_200000210301 [0,0,1,0,0,1|2,0,0]=4 535 B12R1.243 COC(CN)c1ccccc1Cl 34a_200000759403_200000210301 [0,0,1,0,0,1|2,0,0]=4 536 B12R1.243 [13CH3]OC(CN)c1ccccc1Br 34a_100011236429_200025704644 [0,0,1,0,0,1|2,0,0]=4 537 B12R1.243 [13CH3]OC(CN)c1ccccc1Cl 34a_200000759403_200025704644 [0,0,1,0,0,1|2,0,0]=4 538 B12R1.251 CCC(CC)Sc1sccc1C 62a_100000210505_100010247149 [0,0,1,0,0,1|2,0,0]=4 539 B12R1.251 CCC(CC)Sc1sccc1C 62a_100010247149_100000210505 [0,0,1,0,0,1|2,0,0]=4