0 B11R1.90 C=C(C)CSc1sccc1C 62a_100000748629_100010247149 [0,0,0,0,0,0|1,1,2]=4 1 B11R1.90 C=C(C)CSc1sccc1C 62a_100010247149_100000211660 [0,0,0,0,0,0|1,1,2]=4 2 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,0,0,0,0|1,1,1]=3 3 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,0,0,0,0,0|2,1,1]=4 5 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,0,0,0,0,0|2,1,1]=4 6 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.90 CC(=O)NCc1nccn1C 11a_100015186572_100015343762 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.90 CC(=O)NCc1nccn1C 240690a_100015186572_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.90 CC(=O)NCc1nccn1C 527a_100015186572_100103153847 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,0,0,0,0,0|2,1,0]=3 16 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,0,0,0,0,0|2,1,0]=3 17 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,0,0,0,0,0|2,1,0]=3 18 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,0,0,0,0,0|2,1,0]=3 19 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,0,0,0,0,0|3,1,0]=4 20 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,0,0,0,0,0|3,1,0]=4 21 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,0,0,0,0,0|3,1,0]=4 22 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,0,0,0,0,0|3,1,0]=4 23 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,0,0,0,0,0|3,1,0]=4 24 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,0,0,0,0,0|3,1,0]=4 25 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,0,0,0,0,0|3,1,0]=4 26 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.90 CC(C)C=Cc1nccn1C 271570a_100016257149_100000707724 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.90 CC(C)C=Cc1sccc1Br 271570a_100016257149_100012361411 [0,0,0,0,0,0|1,1,2]=4 29 B11R1.90 CC(C)NCc1cccn1C 34a_100011219357_100000210206 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.90 CC(C)NCc1nccn1C 207a_100138425928_100000748660 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.90 CC(C)NCc1nccn1C 2230a_100015186572_100000210206 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.90 CC(C)NCc1nccn1C 2230a_100138425928_100000700302 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.90 CC(C)NCc1nccn1C 34a_100138425928_100000700302 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.90 CC(C)NCc1sccc1Br 207a_100138425928_100000766043 [0,0,0,0,0,0|2,1,1]=4 35 B11R1.90 CC(C)NCc1sccc1Cl 207a_100138425928_100000722334 [0,0,0,0,0,0|2,1,1]=4 36 B11R1.90 CC(C)NCc1sccc1Cl 2230a_100011934584_100000210206 [0,0,0,0,0,0|2,1,1]=4 37 B11R1.90 CC(C)NCc1sccc1Cl 34a_100011934584_100000210206 [0,0,0,0,0,0|2,1,1]=4 38 B11R1.90 CC(C)OCc1nccn1C 34a_100000212225_100000700302 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.90 CC(C)OCc1nccn1C 7a_100000691215_100000210206 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.90 CC(C)OCc1sccc1Br 34a_100000702026_100000210206 [0,0,0,0,0,0|2,1,1]=4 41 B11R1.90 CC(C)OCc1sccc1Cl 34a_100000722387_100000210206 [0,0,0,0,0,0|2,1,1]=4 42 B11R1.90 CC(C)OCc1sccc1Cl 7a_100000722387_100000210206 [0,0,0,0,0,0|2,1,1]=4 43 B11R1.90 CC(C)SCc1nccn1C 62a_100000210206_100000700302 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.90 CC(C)SCc1nccn1C 62a_100000700302_100000210206 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.90 Cc1[nH]cnc1C=CC(C)C 271570a_100016257149_100009816806 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.90 Cc1[nH]cnc1CNC(C)C 207a_100138425928_100000032982 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.90 Cc1[nH]cnc1CNC(C)C 2230a_100138425928_100000751220 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.90 Cc1[nH]cnc1CSC(C)C 62a_100000210206_100000751220 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.90 Cc1[nH]cnc1CSC(C)C 62a_100000751220_100000210206 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.90 Cc1c[nH]nc1C=CC(C)C 271570a_100016257149_100009871783 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.90 Cc1ccnn1CCN(C)C 2230a_100102631434_100011934269 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.90 Cc1ccnn1CCN(C)C 269982a_100102631434_100011934269 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.90 Cc1ccoc1CNC(C)C 207a_100138425928_100000763527 [0,0,0,0,0,0|1,0,1]=2 55 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,0,0,0,0,0|1,0,1]=2 56 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,0,0,0,0,0|1,0,1]=2 57 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,0,0,0,0|1,1,1]=3 58 B11R1.90 Cc1ccsc1C=CC(C)C 271570a_100016257149_100000742657 [0,0,0,0,0,0|0,1,2]=3 59 B11R1.90 Cc1ccsc1C=CC(C)O 271570a_200011019289_100000742657 [0,0,0,0,0,0|1,1,2]=4 60 B11R1.90 Cc1ccsc1CNC(C)C 207a_100138425928_100000210881 [0,0,0,0,0,0|1,1,1]=3 61 B11R1.90 Cc1ccsc1CNC(C)C 2230a_100000238519_100000210206 [0,0,0,0,0,0|1,1,1]=3 62 B11R1.90 Cc1ccsc1CNC(C)C 34a_100000238519_100000210206 [0,0,0,0,0,0|1,1,1]=3 63 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,0,0,0,0,0|1,1,1]=3 64 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,0,0,0,0,0|1,1,1]=3 65 B11R1.90 Cc1ccsc1SCC(C)C 62a_100000210624_100010247149 [0,0,0,0,0,0|1,1,2]=4 66 B11R1.90 Cc1ccsc1SCC(C)C 62a_100010247149_100000210760 [0,0,0,0,0,0|1,1,2]=4 67 B11R1.90 Cc1cn[nH]c1CNC(C)C 207a_100138425928_100000708485 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.90 Cc1cnoc1COC(C)C 34a_200011065769_100000210206 [0,0,0,0,0,0|2,0,1]=3 69 B11R1.90 Cc1cscc1C=CC(C)C 271570a_100016257149_100000759966 [0,0,0,0,0,0|2,0,2]=4 70 B11R1.90 Cc1ncoc1COC(C)C 34a_100000717716_100000210206 [0,0,0,0,0,0|2,0,1]=3 71 B11R1.90 Cc1ncoc1COC(C)C 7a_100000717716_100000210206 [0,0,0,0,0,0|2,0,1]=3 72 B11R1.90 Cc1ncsc1C=CC(C)C 271570a_100016257149_100009817116 [0,0,0,0,0,0|1,1,2]=4 73 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,0,0,0,0,0|2,1,1]=4 74 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100025748334_200000210301 [0,0,0,0,0,0|2,1,1]=4 75 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100102631434_100000057103 [0,0,0,0,0,0|2,1,1]=4 76 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100025748334_200000210301 [0,0,0,0,0,0|2,1,1]=4 77 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100102631434_100000057103 [0,0,0,0,0,0|2,1,1]=4 78 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 2230a_100025748334_200025704644 [0,0,0,0,0,0|2,1,1]=4 79 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 269982a_100025748334_200025704644 [0,0,0,0,0,0|2,1,1]=4 80 B11R1.90 Cc1ncsc1CNC(C)C 207a_100138425928_100000764165 [0,0,0,0,0,0|2,1,1]=4 81 B11R1.90 Cc1ncsc1CNC(C)C 2230a_100000752186_100000210206 [0,0,0,0,0,0|2,1,1]=4 82 B11R1.90 Cc1ncsc1COC(C)C 34a_100000750112_100000210206 [0,0,0,0,0,0|2,1,1]=4 83 B11R1.90 Cc1ncsc1COC(C)C 7a_100000750112_100000210206 [0,0,0,0,0,0|2,1,1]=4 84 B11R1.90 Cc1occc1COC(C)C 34a_100011219433_100000210206 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.90 Cc1occc1COC(C)C 7a_100011219433_100000210206 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.90 Cc1ocnc1CNC(C)C 2230a_100138425928_200000693990 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.90 Cc1ocnc1CNC(C)C 34a_100138425928_200000693990 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.90 Cc1ocnc1COC(C)C 34a_100000212225_200000693990 [0,0,0,0,0,0|3,0,1]=4 89 B11R1.90 Cc1ocnc1COC(C)C 34a_100012017639_100000210206 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.90 Cc1ocnc1CSC(C)C 62a_100000210206_200000693990 [0,0,0,0,0,0|3,0,1]=4 91 B11R1.90 Cc1ocnc1CSC(C)C 62a_200000693990_100000210206 [0,0,0,0,0,0|3,0,1]=4 92 B11R1.90 Cc1sccc1C=CC(C)C 271570a_100016257149_100000684487 [0,0,0,0,0,0|2,0,2]=4 93 B11R1.90 Cc1scnc1C=CC(C)C 271570a_100016257149_100000732656 [0,0,0,0,0,0|2,0,2]=4 94 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,0,0,0,0,0|0,1,2]=4 96 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [1,0,0,0,0,0|1,0,1]=3 99 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [1,0,0,0,0,0|1,1,1]=4 100 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [1,0,0,0,0,0|1,1,1]=4 101 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [1,0,0,0,0,0|1,1,1]=4 102 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [1,0,0,0,0,0|1,1,1]=4 103 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [1,0,0,0,0,0|1,0,1]=3 104 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [1,0,0,0,0,0|1,0,1]=3 105 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [1,0,0,0,0,0|1,1,1]=4 109 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [1,0,0,0,0,0|1,1,1]=4 110 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [1,0,0,0,0,0|1,0,2]=4 113 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.66 CC(=CCN1CC=CC1)C 269982a_100015195280_100000761012 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,0,0,0,0|1,1,1]=4 116 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,0,0|1,0,1]=3 118 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,0,0|1,1,1]=4 119 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,0,0|1,1,1]=4 120 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [1,0,0,0,0,0|2,1,0]=4 128 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [1,0,0,0,0,0|2,1,0]=4 129 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [1,0,0,0,0,0|2,1,0]=4 130 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [1,0,0,0,0,0|2,1,0]=4 131 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [1,0,0,0,0,0|0,0,2]=3 139 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [1,0,0,0,0,0|0,1,2]=4 140 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [1,0,0,0,0,0|1,0,2]=4 141 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [1,0,0,0,0,0|1,0,2]=4 142 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [1,0,0,0,0,0|1,0,2]=4 143 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [1,0,0,0,0,0|1,0,2]=4 144 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [1,0,0,0,0,0|1,0,1]=3 145 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [1,0,0,0,0,0|1,0,1]=3 146 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [1,0,0,0,0,0|1,0,1]=3 147 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [1,0,0,0,0,0|1,1,1]=4 148 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [1,0,0,0,0,0|1,1,1]=4 149 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [1,0,0,0,0,0|1,0,1]=3 153 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [1,0,0,0,0,0|1,1,1]=4 154 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [1,0,0,0,0,0|1,0,2]=4 160 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [1,0,0,0,0,0|1,1,1]=4 161 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [1,0,0,0,0,0|1,1,1]=4 162 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,0,0,0,0|1,1,1]=4 163 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,0,0|1,0,1]=3 165 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,0,0|1,1,1]=4 166 B12R1.81 CC(C)C=Cc1sccc1CN 271570a_100016257149_100000727803 [0,1,0,0,0,0|0,1,2]=4 167 B12R1.81 CC(C)C=Cc1sccc1CO 271570a_100016257149_100009816922 [0,1,0,0,0,0|0,1,2]=4 168 B12R1.81 CCC1C=CCN1CC=C(C)C 2230a_100000730860_100000761012 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.81 CCC1C=CCN1CC=C(C)C 269982a_100000730860_100000761012 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.81 CCC1C=CCN1CC=C(C)C 34a_100000730860_100000761012 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.81 CCc1ccsc1C=CC(C)C 271570a_100016257149_200009875468 [0,1,0,0,0,0|0,1,2]=4 172 B12R1.81 COc1ccoc1CNC(C)C 207a_100138425928_200009856553 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.81 COc1ccsc1CNC(C)C 207a_100138425928_100000689126 [0,1,0,0,0,0|1,1,1]=4 174 B12R1.129 Cc1ccoc1CNC(C)(C)C 207a_100000715429_100000763527 [0,1,0,0,0,0|1,0,1]=3 175 B12R1.129 Cc1ccoc1COC(C)(C)C 34a_100011273948_100000210625 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.129 Cc1ccsc1C=CC(C)(C)C 271570a_100102527731_100000742657 [0,1,0,0,0,0|0,1,2]=4 177 B12R1.129 Cc1ccsc1C=CC(C)(C)O 271570a_200016258132_100000742657 [0,1,0,0,0,0|0,1,2]=4 178 B12R1.129 Cc1ccsc1CNC(C)(C)C 207a_100000715429_100000210881 [0,1,0,0,0,0|1,1,1]=4 179 B12R1.129 Cc1ccsc1CNC(C)(C)C 34a_100000238519_100000210625 [0,1,0,0,0,0|1,1,1]=4 180 B12R1.129 Cc1ccsc1COC(C)(C)C 34a_100000238368_100000210625 [0,1,0,0,0,0|1,1,1]=4 181 B12R1.129 Cc1cnoc1COC(C)(C)C 34a_200011065769_100000210625 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.129 Cc1ncoc1COC(C)(C)C 34a_100000717716_100000210625 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.144 Cc1ccsc1[C@@H](N)CC(C)C 271570a_100015190218_100000742657 [0,1,0,0,0,0|0,1,2]=4 184 B12R1.145 C=C(C)C(=O)Cc1nc[nH]c1C 1458a_100000185857_100000751220 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.145 C=C(C)C(=O)Cc1ncoc1C 1458a_100000185857_200000693990 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.145 CC(=O)N(C)Cc1occc1C 11a_100000734364_100015343762 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.145 CC(=O)N(C)Cc1occc1C 1626a_100000734364_100015343762 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.145 CC(=O)N(C)Cc1occc1C 240690a_100000734364_100015343762 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.145 CC(=O)N(C)Cc1occc1C 527a_100000734364_100103153847 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.145 CC(=O)N(C)Cc1sccc1C 11a_100000695154_100015343762 [0,1,0,0,0,0|2,1,0]=4 191 B12R1.145 CC(=O)N(C)Cc1sccc1C 1626a_100000695154_100015343762 [0,1,0,0,0,0|2,1,0]=4 192 B12R1.145 CC(=O)N(C)Cc1sccc1C 240690a_100000695154_100015343762 [0,1,0,0,0,0|2,1,0]=4 193 B12R1.145 CC(=O)N(C)Cc1sccc1C 527a_100000695154_100103153847 [0,1,0,0,0,0|2,1,0]=4 194 B12R1.145 CC(C)N(C)Cc1occc1Br 270004a_200000211004_100000756499 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.145 CN(C)C(=O)Cc1nccn1C 11a_100102631434_200015194843 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.145 CN(C)C(=O)Cc1nccn1C 240690a_100102631434_200015194843 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.145 Cc1[nH]cnc1CC(=O)C(C)C 1458a_100000210198_100000751220 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.145 Cc1ccnn1CC(=O)C(C)C 1458a_100000759144_100000210206 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.145 Cc1ccnn1CC(=O)N(C)C 11a_100102631434_100000759144 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.145 Cc1ccnn1CC(=O)N(C)C 1626a_100102631434_100000759144 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.145 Cc1ccnn1CC(=O)N(C)C 240690a_100102631434_100000759144 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.145 Cc1ccnn1CC(=O)N(C)C 527a_100102631434_100000759144 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.145 Cc1ccoc1CN(C)C(C)C 2230a_100000734364_100000210206 [0,1,0,0,0,0|1,0,1]=3 204 B12R1.145 Cc1ccoc1CN(C)C(C)C 269982a_100000734364_100000210206 [0,1,0,0,0,0|1,0,1]=3 205 B12R1.145 Cc1ccoc1CN(C)C(C)C 270004a_200000211004_100000763527 [0,1,0,0,0,0|1,0,1]=3 206 B12R1.145 Cc1ccsc1CN(C)C(C)C 2230a_100000695154_100000210206 [0,1,0,0,0,0|1,1,1]=4 207 B12R1.145 Cc1ccsc1CN(C)C(C)C 2230a_100160572448_200000210301 [0,1,0,0,0,0|1,1,1]=4 208 B12R1.145 Cc1ccsc1CN(C)C(C)C 269982a_100000695154_100000210206 [0,1,0,0,0,0|1,1,1]=4 209 B12R1.145 Cc1ccsc1CN(C)C(C)C 269982a_100160572448_200000210301 [0,1,0,0,0,0|1,1,1]=4 210 B12R1.145 Cc1ccsc1CN(C)C(C)C 270004a_200000211004_100000210881 [0,1,0,0,0,0|1,1,1]=4 211 B12R1.145 Cc1ccsc1CN(C)C(C)C 34a_100160572448_200000210301 [0,1,0,0,0,0|1,1,1]=4 212 B12R1.145 Cc1ccsc1CN([13CH3])C(C)C 2230a_100160572448_200025704644 [0,1,0,0,0,0|1,1,1]=4 213 B12R1.145 Cc1ccsc1CN([13CH3])C(C)C 269982a_100160572448_200025704644 [0,1,0,0,0,0|1,1,1]=4 214 B12R1.145 Cc1ccsc1CN([13CH3])C(C)C 34a_100160572448_200025704644 [0,1,0,0,0,0|1,1,1]=4 215 B12R1.145 Cc1ocnc1CC(=O)C(C)C 1458a_100000210198_200000693990 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.353 C#CC(C)NCc1occc1C 270004a_100000707721_100000763527 [0,1,0,0,0,0|1,0,2]=4 217 B12R1.353 C#CC(C)OCc1occc1C 34a_100011273948_200000035995 [0,1,0,0,0,0|1,0,2]=4 218 B12R1.353 CCC(=O)C=Cc1sccc1C 1458a_100000185125_100000210202 [0,1,0,0,0,0|1,1,1]=4 219 B12R1.353 CCC(=O)NCc1sccc1C 11a_100000238519_100000210414 [0,1,0,0,0,0|2,1,0]=4 220 B12R1.353 CCC(=O)NCc1sccc1C 1626a_100000238519_100000210414 [0,1,0,0,0,0|2,1,0]=4 221 B12R1.353 CCC(=O)NCc1sccc1C 240690a_100000238519_100000210414 [0,1,0,0,0,0|2,1,0]=4 222 B12R1.353 CCC(=O)NCc1sccc1C 527a_100000238519_100000210414 [0,1,0,0,0,0|2,1,0]=4 223 B12R1.353 CCC(C)NCc1occc1Br 270004a_100000209981_100000756499 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.353 CCC(C)NCc1occc1C 207a_100000209981_100000763527 [0,1,0,0,0,0|1,0,1]=3 225 B12R1.353 CCC(C)NCc1occc1C 270004a_100000209981_100000763527 [0,1,0,0,0,0|1,0,1]=3 226 B12R1.353 CCC(C)NCc1sccc1C 207a_100000209981_100000210881 [0,1,0,0,0,0|1,1,1]=4 227 B12R1.353 CCC(C)NCc1sccc1C 2230a_100000238519_100000758301 [0,1,0,0,0,0|1,1,1]=4 228 B12R1.353 CCC(C)NCc1sccc1C 270004a_100000209981_100000210881 [0,1,0,0,0,0|1,1,1]=4 229 B12R1.353 CCC(C)NCc1sccc1C 34a_100000238519_100011215416 [0,1,0,0,0,0|1,1,1]=4 230 B12R1.353 CCC(C)OCc1occc1C 34a_100011273948_100011215416 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.353 CCC(C)OCc1occc1C 7a_100011273948_100000758301 [0,1,0,0,0,0|1,0,1]=3 232 B12R1.353 CCC(C)OCc1ocnc1C 34a_100000717716_100011215416 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.353 CCC(C)OCc1ocnc1C 7a_100000717716_100000758301 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.353 CCC(C)OCc1oncc1C 34a_200011065769_100011215416 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.353 CCC(C)OCc1sccc1C 34a_100000238368_100011215416 [0,1,0,0,0,0|1,1,1]=4 236 B12R1.353 CCC(C)OCc1sccc1C 7a_100000238368_100000758301 [0,1,0,0,0,0|1,1,1]=4 237 B12R1.353 CNC(=O)C=Cc1sccc1C 11a_106832991635_100000185125 [0,1,0,0,0,0|1,1,1]=4 238 B12R1.353 CNC(=O)C=Cc1sccc1C 1626a_100102657272_100000185125 [0,1,0,0,0,0|1,1,1]=4 239 B12R1.353 CNC(=O)C=Cc1sccc1C 240690a_100102657272_100000185125 [0,1,0,0,0,0|1,1,1]=4 240 B12R1.353 CNC(=O)C=Cc1sccc1C 527a_100102657272_100000185125 [0,1,0,0,0,0|1,1,1]=4 241 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100000238519_106832991635 [0,1,0,0,0,0|2,1,0]=4 242 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100102657272_100000238519 [0,1,0,0,0,0|2,1,0]=4 243 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100000238519_100102657272 [0,1,0,0,0,0|2,1,0]=4 244 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100102657272_100000238519 [0,1,0,0,0,0|2,1,0]=4 245 B12R1.353 CNC(=O)NCc1sccc1C 512a_100000238519_100102657272 [0,1,0,0,0,0|2,1,0]=4 246 B12R1.353 CNC(=O)NCc1sccc1C 512a_106832991638_100000238519 [0,1,0,0,0,0|2,1,0]=4 247 B12R1.353 C[C@H](CF)NCc1occc1Br 270004a_100102880703_100000756499 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.353 C[C@H](CO)NCc1occc1Br 270004a_100000737577_100000756499 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.353 Cc1ccoc1CN[C@H](C)CF 207a_100102880703_100000763527 [0,1,0,0,0,0|1,0,1]=3 250 B12R1.353 Cc1ccoc1CN[C@H](C)CF 270004a_100102880703_100000763527 [0,1,0,0,0,0|1,0,1]=3 251 B12R1.353 Cc1ccoc1CN[C@H](C)CO 207a_100000737577_100000763527 [0,1,0,0,0,0|1,0,1]=3 252 B12R1.353 Cc1ccoc1CN[C@H](C)CO 270004a_100000737577_100000763527 [0,1,0,0,0,0|1,0,1]=3 253 B12R1.353 Cc1ccoc1COC(C)C#N 7a_100011273948_100000703298 [0,1,0,0,0,0|1,0,2]=4 254 B12R1.353 Cc1ccoc1COC(C)CO 34a_100011273948_100012180447 [0,1,0,0,0,0|1,0,1]=3 255 B12R1.353 Cc1ccoc1COC(C)CO 7a_100011273948_100012180447 [0,1,0,0,0,0|1,0,1]=3 256 B12R1.353 Cc1ccsc1C=CC(=O)CF 1458a_100000185125_100015361967 [0,1,0,0,0,0|1,1,1]=4 257 B12R1.353 Cc1ccsc1CNC(=O)CO 240690a_100000238519_100000210174 [0,1,0,0,0,0|2,1,0]=4 258 B12R1.353 Cc1ccsc1CNC(=O)CO 527a_100000238519_100000210174 [0,1,0,0,0,0|2,1,0]=4 259 B12R1.353 Cc1ccsc1CNC(C)CO 2230a_100000238519_100012180447 [0,1,0,0,0,0|1,1,1]=4 260 B12R1.353 Cc1ccsc1CNC(C)CO 34a_100000238519_100012180447 [0,1,0,0,0,0|1,1,1]=4 261 B12R1.353 Cc1ccsc1CN[C@H](C)CF 207a_100102880703_100000210881 [0,1,0,0,0,0|1,1,1]=4 262 B12R1.353 Cc1ccsc1CN[C@H](C)CF 270004a_100102880703_100000210881 [0,1,0,0,0,0|1,1,1]=4 263 B12R1.353 Cc1ccsc1CN[C@H](C)CO 207a_100000737577_100000210881 [0,1,0,0,0,0|1,1,1]=4 264 B12R1.353 Cc1ccsc1CN[C@H](C)CO 270004a_100000737577_100000210881 [0,1,0,0,0,0|1,1,1]=4 265 B12R1.353 Cc1ccsc1COC(C)CO 34a_100000238368_100012180447 [0,1,0,0,0,0|1,1,1]=4 266 B12R1.353 Cc1ccsc1COC(C)CO 7a_100000238368_100012180447 [0,1,0,0,0,0|1,1,1]=4 267 B12R1.353 Cc1cnoc1COC(C)CO 34a_200011065769_100012180447 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.353 Cc1ncoc1COC(C)CO 34a_100000717716_100012180447 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.353 Cc1ncoc1COC(C)CO 7a_100000717716_100012180447 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.861 Cc1cc(c(s1)C=CC(C)C)C 271570a_100016257149_100000689295 [0,1,0,0,0,0|0,1,2]=4 271 B12R1.861 Cc1cc(sc1CNC(C)C)Br 207a_100138425928_100010221198 [0,1,0,0,0,0|1,1,1]=4 272 B12R1.861 Cc1nc(c(o1)CNC(C)C)C 207a_100138425928_100000734261 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.861 Cc1oc(=O)oc1CSC(C)C 62a_100000210206_100000068490 [0,1,0,0,0,0|2,0,1]=4 274 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,0,1,0,0,0|2,0,1]=4 275 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,0,1,0,0,0|2,0,1]=4 276 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,0,1,0,0,0|2,0,1]=4 277 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,0,1,0,0,0|2,0,1]=4 278 B10R0.3 CC(=CCNC(=O)C=CBr)C 1626a_100000718196_100016273825 [0,0,1,0,0,0|3,0,0]=4 279 B10R0.3 CC(=CCNC(=O)C=CCl)C 11a_100000718196_200016279998 [0,0,1,0,0,0|3,0,0]=4 280 B10R0.3 CC(=CCNC(=O)C=CCl)C 1626a_100000718196_200016279998 [0,0,1,0,0,0|3,0,0]=4 281 B10R0.3 CC(=CCNC(=O)C=CI)C 1626a_100000718196_100016256311 [0,0,1,0,0,0|3,0,0]=4 282 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,0,1,0,0,0|2,0,1]=4 283 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,0,1,0,0,0|3,0,0]=4 284 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,0,1,0,0,0|3,0,0]=4 285 B10R0.4 C/C=C/CCOCC=C(C)C 34a_100016278192_100000761012 [0,0,1,0,0,0|2,0,1]=4 286 B10R0.4 C/C=C/COCCC=C(C)C 34a_100016270725_100011217483 [0,0,1,0,0,0|0,0,2]=3 287 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100011217483_100102629194 [0,0,1,0,0,0|0,1,2]=4 288 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100102629194_100011217483 [0,0,1,0,0,0|0,1,2]=4 289 B10R0.4 CC/C=C\CNCC=C(C)C 34a_100000718196_100103147603 [0,0,1,0,0,0|2,0,1]=4 290 B10R0.4 CC/C=C\COCC=C(C)C 34a_100000753907_100103147603 [0,0,1,0,0,0|2,0,1]=4 291 B10R0.4 CC/C=C\COCC=C(C)C 34a_100016268518_100000761012 [0,0,1,0,0,0|2,0,1]=4 292 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100000761012_100103147603 [0,0,1,0,0,0|2,0,1]=4 293 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100103147603_100000761012 [0,0,1,0,0,0|2,0,1]=4 294 B10R0.4 CC=CCSCCC=C(C)C 62a_100000070051_100011217483 [0,0,1,0,0,0|0,1,2]=4 295 B10R0.4 CC=CCSCCC=C(C)C 62a_100011217483_100000070051 [0,0,1,0,0,0|0,1,2]=4 296 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,0,1,0,0,0|0,0,2]=3 297 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [0,0,1,0,0,0|0,0,2]=3 298 B12R2.466 Cc1ccoc1COC2CC2 34a_100011273948_100000211595 [0,0,0,1,0,0|1,0,1]=3 299 B12R2.466 Cc1ccsc1C=CC2CC2 271570a_100102526188_100000742657 [0,0,0,1,0,0|0,1,2]=4 300 B12R2.466 Cc1ccsc1CNC2CC2 34a_100000238519_100000211595 [0,0,0,1,0,0|1,1,1]=4 301 B12R2.466 Cc1ccsc1COC2CC2 34a_100000238368_100000211595 [0,0,0,1,0,0|1,1,1]=4 302 B12R2.466 Cc1cnoc1COC2CC2 34a_200011065769_100000211595 [0,0,0,1,0,0|2,0,1]=4 303 B12R2.466 Cc1ncoc1COC2CC2 34a_100000717716_100000211595 [0,0,0,1,0,0|2,0,1]=4 304 B10R1.64 CC(=Cc1[nH]cnc1Cl)C 271570a_100102525489_100010200774 [0,0,0,0,1,0|3,0,0]=4 305 B10R1.64 CC(=Cc1c[nH]nc1C)C 271570a_100102525489_100011912673 [0,0,0,0,1,0|3,0,0]=4 306 B10R1.64 CC(=Cc1ccnn1C)C 271570a_100102525489_100000688441 [0,0,0,0,1,0|3,0,0]=4 307 B10R1.64 CC(=Cc1ccsc1C)C 271570a_100102525489_100000684487 [0,0,0,0,1,0|2,0,0]=3 308 B10R1.64 CC(=Cc1cncn1C)C 271570a_100102525489_100009814087 [0,0,0,0,1,0|3,0,0]=4 309 B10R1.64 CC(=Cc1cnoc1C)C 271570a_100102525489_100009872056 [0,0,0,0,1,0|3,0,0]=4 310 B10R1.64 CC(=Cc1cscc1Br)C 271570a_100102525489_100010143727 [0,0,0,0,1,0|3,0,0]=4 311 B10R1.64 CC(=Cc1cscc1C)C 271570a_100102525489_100000759966 [0,0,0,0,1,0|2,0,0]=3 312 B10R1.64 CC(=Cc1n[nH]cc1Br)C 271570a_100102525489_100015839836 [0,0,0,0,1,0|3,0,0]=4 313 B10R1.64 CC(=Cc1n[nH]cc1C)C 271570a_100102525489_100009871783 [0,0,0,0,1,0|2,0,0]=3 314 B10R1.64 CC(=Cc1n[nH]cc1N)C 271570a_100102525489_100010894806 [0,0,0,0,1,0|3,0,0]=4 315 B10R1.64 CC(=Cc1nc[nH]c1C)C 271570a_100102525489_100009816806 [0,0,0,0,1,0|2,0,0]=3 316 B10R1.64 CC(=Cc1nccn1C)C 271570a_100102525489_100000707724 [0,0,0,0,1,0|2,0,0]=3 317 B10R1.64 CC(=Cc1ncnn1C)C 271570a_100102525489_100000732653 [0,0,0,0,1,0|3,0,0]=4 318 B10R1.64 CC(=Cc1ncsc1C)C 271570a_100102525489_100000732656 [0,0,0,0,1,0|2,0,0]=3 319 B10R1.64 CC(=Cc1sccc1Br)C 271570a_100102525489_100012361411 [0,0,0,0,1,0|1,1,0]=3 320 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,0,0,0,1,0|0,1,0]=2 321 B10R1.64 CC(=Cc1scnc1C)C 271570a_100102525489_100009817116 [0,0,0,0,1,0|1,1,0]=3 322 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,0,0,0,1,0|3,0,0]=4 323 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,0,0,0,1,0|3,0,0]=4 324 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,0,0,0,1,0|3,0,0]=4 325 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,0,0,0,1,0|3,0,0]=4 326 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,0,0,0,1,0|3,0,0]=4 327 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,0,0,0,1,0|3,0,0]=4 328 B10R1.64 CN(C)Cc1nccn1C 2230a_100102631434_100000700302 [0,0,0,0,1,0|3,0,0]=4 329 B10R1.64 CN(C)Cc1nccn1C 269982a_100102631434_100000700302 [0,0,0,0,1,0|3,0,0]=4 330 B10R1.64 CN(C)Cc1nccn1C 270004a_100102631434_100000748660 [0,0,0,0,1,0|3,0,0]=4 331 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,0,0,0,1,0|2,0,0]=3 332 B10R1.64 CN(C)Cc1sccc1Br 2230a_100000767120_200000210301 [0,0,0,0,1,0|2,1,0]=4 333 B10R1.64 CN(C)Cc1sccc1Br 269982a_100000767120_200000210301 [0,0,0,0,1,0|2,1,0]=4 334 B10R1.64 CN(C)Cc1sccc1Br 270004a_100102631434_100000766043 [0,0,0,0,1,0|2,1,0]=4 335 B10R1.64 CN(C)Cc1sccc1Cl 270004a_100102631434_100000722334 [0,0,0,0,1,0|2,1,0]=4 336 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,0,0,0,1,0|3,0,0]=4 337 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,0,0,0,1,0|3,0,0]=4 338 B10R1.64 CN([13CH3])Cc1sccc1Br 2230a_100000767120_200025704644 [0,0,0,0,1,0|2,1,0]=4 339 B10R1.64 CN([13CH3])Cc1sccc1Br 269982a_100000767120_200025704644 [0,0,0,0,1,0|2,1,0]=4 340 B10R1.64 Cc1[nH]cnc1CN(C)C 2230a_100102631434_100000751220 [0,0,0,0,1,0|3,0,0]=4 341 B10R1.64 Cc1[nH]cnc1CN(C)C 269982a_100102631434_100000751220 [0,0,0,0,1,0|3,0,0]=4 342 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,0,0,0,1,0|3,0,0]=4 343 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,0,0,0,1,0|1,0,0]=2 344 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,0,0,0,1,0|1,0,0]=2 345 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,0,0,0,1,0|1,0,0]=2 346 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,0,0,0,1,0|1,0,0]=2 347 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,0,0,0,1,0|1,0,0]=2 348 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,0,0,0,1,0|1,1,0]=3 349 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,0,0,0,1,0|1,1,0]=3 350 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,0,0,0,1,0|1,1,0]=3 351 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,0,0,0,1,0|1,1,0]=3 352 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,0,0,0,1,0|1,1,0]=3 353 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [0,0,0,0,1,0|1,1,1]=4 354 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [0,0,0,0,1,0|1,1,1]=4 355 B10R1.64 Cc1cn[nH]c1CN(C)C 270004a_100102631434_100000708485 [0,0,0,0,1,0|3,0,0]=4 356 B10R1.64 Cc1occc1CN(C)C 2230a_100000745204_200000210301 [0,0,0,0,1,0|3,0,0]=4 357 B10R1.64 Cc1occc1CN(C)C 269982a_100000745204_200000210301 [0,0,0,0,1,0|3,0,0]=4 358 B10R1.64 Cc1occc1CN(C)[13CH3] 2230a_100000745204_200025704644 [0,0,0,0,1,0|3,0,0]=4 359 B10R1.64 Cc1occc1CN(C)[13CH3] 269982a_100000745204_200025704644 [0,0,0,0,1,0|3,0,0]=4 360 B10R1.64 Cc1ocnc1CN(C)C 2230a_100102631434_200000693990 [0,0,0,0,1,0|3,0,0]=4 361 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,0,0,0,0,1|2,0,1]=4 362 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,0,0,0,0,1|2,0,1]=4 363 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,0,0,0,0,1|3,0,0]=4 364 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,0,0,0,0,1|3,0,0]=4 365 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,0,0,0,0,1|3,0,0]=4 366 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,0,0,0,0,1|3,0,0]=4 367 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,0,0,0,0,1|3,0,0]=4 368 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,0,0,0,0,1|3,0,0]=4 369 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,0,0,0,0,1|3,0,0]=4 370 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,0,0,0,0,1|3,0,0]=4 371 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,0,0,0,0,1|3,0,0]=4 372 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,0,0,0,0,1|3,0,0]=4 373 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,0,0,0,0,1|3,0,0]=4 374 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,0,0,0,0,1|3,0,0]=4 375 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,0,0,0,0,1|3,0,0]=4 376 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,0,0,0,0,1|3,0,0]=4 377 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,0,0,0,0,1|3,0,0]=4 378 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,0,0,0,0,1|3,0,0]=4 379 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,0,0,0,0,1|3,0,0]=4 380 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,0,0,0,0,1|3,0,0]=4 381 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,0,0,0,0,1|1,0,2]=4 382 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,0,0,0,0,1|2,0,1]=4 383 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,0,0,0,0,1|2,0,1]=4 384 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,0,0,0,0,1|2,0,1]=4 385 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,0,0,0,0,1|2,0,1]=4 386 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,0,0,0,0,1|2,0,1]=4 387 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,0,0,0,0,1|2,0,1]=4 388 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,0,0,0,0,1|2,0,1]=4 389 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,0,0,0,0,1|2,0,1]=4 390 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,0,0,0,0,1|2,0,1]=4 391 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,0,0,0,0,1|2,0,1]=4 392 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,0,0,0,0,1|2,0,1]=4 393 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,0,0,0,0,1|2,0,1]=4 394 B12R1.125 Cc1cccnc1C=CC(C)C 271570a_100016257149_100000751373 [0,0,0,0,0,1|1,0,2]=4 395 B12R1.125 Cc1cccnc1CNC(C)C 207a_100138425928_100000698913 [0,0,0,0,0,1|2,0,1]=4 396 B12R1.125 Cc1cccnc1CNC(C)C 2230a_100138425928_100000696600 [0,0,0,0,0,1|2,0,1]=4 397 B12R1.125 Cc1cccnc1CNC(C)C 34a_100011223789_100000210206 [0,0,0,0,0,1|2,0,1]=4 398 B12R1.125 Cc1cccnc1CNC(C)C 34a_100138425928_100000696600 [0,0,0,0,0,1|2,0,1]=4 399 B12R1.125 Cc1cccnc1COC(C)C 34a_100000212225_100000696600 [0,0,0,0,0,1|2,0,1]=4 400 B12R1.125 Cc1cccnc1COC(C)C 34a_100000698912_100000210206 [0,0,0,0,0,1|2,0,1]=4 401 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000210206_100000696600 [0,0,0,0,0,1|2,0,1]=4 402 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000696600_100000210206 [0,0,0,0,0,1|2,0,1]=4 403 B12R1.125 Cc1ccncc1C=CC(C)C 271570a_100016257149_100000761580 [0,0,0,0,0,1|1,0,2]=4 404 B12R1.125 Cc1ccncc1CNC(C)C 207a_100138425928_100000685662 [0,0,0,0,0,1|2,0,1]=4 405 B12R1.125 Cc1ccncc1CNC(C)C 2230a_100138425928_100000690890 [0,0,0,0,0,1|2,0,1]=4 406 B12R1.125 Cc1ccncc1CNC(C)C 34a_100138425928_100000690890 [0,0,0,0,0,1|2,0,1]=4 407 B12R1.125 Cc1ccncc1COC(C)C 34a_100000212225_100000690890 [0,0,0,0,0,1|2,0,1]=4 408 B12R1.125 Cc1ccncc1COC(C)C 34a_100011996381_100000210206 [0,0,0,0,0,1|2,0,1]=4 409 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000210206_100000690890 [0,0,0,0,0,1|2,0,1]=4 410 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000690890_100000210206 [0,0,0,0,0,1|2,0,1]=4 411 B12R1.125 Cc1ccnnc1C=CC(C)C 271570a_100016257149_100000089043 [0,0,0,0,0,1|1,0,2]=4 412 B12R1.125 Cc1cnccc1C=CC(C)C 271570a_100016257149_100015191297 [0,0,0,0,0,1|1,0,2]=4 413 B12R1.125 Cc1cnccc1CNC(C)C 2230a_100138425928_100020672808 [0,0,0,0,0,1|2,0,1]=4 414 B12R1.125 Cc1cnccc1CNC(C)C 34a_100138425928_100020672809 [0,0,0,0,0,1|2,0,1]=4 415 B12R1.125 Cc1cnccc1COC(C)C 34a_100000212225_100020672809 [0,0,0,0,0,1|2,0,1]=4 416 B12R1.125 Cc1cnccc1COC(C)C 34a_100011997032_100000210206 [0,0,0,0,0,1|2,0,1]=4 417 B12R1.125 Cc1cnccc1CSC(C)C 62a_100000210206_100020672808 [0,0,0,0,0,1|2,0,1]=4 418 B12R1.125 Cc1cnccc1CSC(C)C 62a_100020672808_100000210206 [0,0,0,0,0,1|2,0,1]=4 419 B12R1.125 Cc1cncnc1C=CC(C)C 271570a_100016257149_100011998708 [0,0,0,0,0,1|1,0,2]=4 420 B12R1.125 Cc1ncccc1C=CC(C)C 271570a_100016257149_100000751574 [0,0,0,0,0,1|1,0,2]=4 421 B12R1.125 Cc1ncccc1CNC(C)C 207a_100138425928_100000751968 [0,0,0,0,0,1|2,0,1]=4 422 B12R1.125 Cc1ncccc1CNC(C)C 2230a_100138425928_100000732876 [0,0,0,0,0,1|2,0,1]=4 423 B12R1.125 Cc1ncccc1CNC(C)C 34a_100138425928_100000732876 [0,0,0,0,0,1|2,0,1]=4 424 B12R1.125 Cc1ncccc1COC(C)C 34a_100000212225_100000732876 [0,0,0,0,0,1|2,0,1]=4 425 B12R1.125 Cc1ncccc1COC(C)C 34a_100000729262_100000210206 [0,0,0,0,0,1|2,0,1]=4 426 B12R1.125 Cc1ncccc1COC(C)C 7a_100000729262_100000210206 [0,0,0,0,0,1|2,0,1]=4 427 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000210206_100000732876 [0,0,0,0,0,1|2,0,1]=4 428 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000732876_100000210206 [0,0,0,0,0,1|2,0,1]=4 429 B12R1.125 Cc1nccnc1C=CC(C)C 271570a_100016257149_100011999405 [0,0,0,0,0,1|1,0,2]=4 430 B12R1.125 Cc1nccnc1CNC(C)C 2230a_100020641712_100000210206 [0,0,0,0,0,1|2,0,1]=4 431 B12R1.125 Cc1nccnc1CNC(C)C 34a_100020641712_100000210206 [0,0,0,0,0,1|2,0,1]=4 432 B12R1.130 C=C(C)CCSc1sccc1C 62a_100000730704_100010247149 [0,0,0,0,0,1|0,1,2]=4 433 B12R1.130 C=C(C)CCSc1sccc1C 62a_100010247149_100000730704 [0,0,0,0,0,1|0,1,2]=4 434 B12R1.130 C=C(C)CNCc1sccc1C 2230a_100000238519_100000748629 [0,0,0,0,0,1|0,1,2]=4 435 B12R1.130 C=C(C)CNCc1sccc1C 34a_100000238519_100000748629 [0,0,0,0,0,1|0,1,2]=4 436 B12R1.130 C=C(C)COCc1occc1C 34a_100011273948_100000748629 [0,0,0,0,0,1|0,0,2]=3 437 B12R1.130 C=C(C)COCc1occc1C 7a_100011273948_100000748629 [0,0,0,0,0,1|0,0,2]=3 438 B12R1.130 C=C(C)COCc1ocnc1C 34a_100000717716_100000748629 [0,0,0,0,0,1|1,0,2]=4 439 B12R1.130 C=C(C)COCc1ocnc1C 7a_100000717716_100000748629 [0,0,0,0,0,1|1,0,2]=4 440 B12R1.130 C=C(C)COCc1oncc1C 34a_200011065769_100000748629 [0,0,0,0,0,1|1,0,2]=4 441 B12R1.130 C=C(C)COCc1sccc1C 34a_100000238368_100000748629 [0,0,0,0,0,1|0,1,2]=4 442 B12R1.130 C=C(C)COCc1sccc1C 7a_100000238368_100000748629 [0,0,0,0,0,1|0,1,2]=4 443 B12R1.130 C=C(F)COCc1occc1C 34a_100011273948_100009893438 [0,0,0,0,0,1|1,0,2]=4 444 B12R1.130 C=C(F)COCc1occc1C 7a_100011273948_100000042424 [0,0,0,0,0,1|1,0,2]=4 445 B12R1.130 CC(=CCNc1ncnn1C)C 27a_100000718196_100000732653 [0,0,0,0,0,1|3,0,0]=4 446 B12R1.130 CC(=CCOc1ccnn1C)C 34a_100020632926_100000761012 [0,0,0,0,0,1|3,0,0]=4 447 B12R1.130 CC(=CCSc1[nH]cnc1Cl)C 62a_100000761012_100010200774 [0,0,0,0,0,1|3,0,0]=4 448 B12R1.130 CC(=CCSc1[nH]cnc1Cl)C 62a_100010200774_100000761012 [0,0,0,0,0,1|3,0,0]=4 449 B12R1.130 CC(=CCSc1c[nH]nc1C)C 62a_100000692133_100000761012 [0,0,0,0,0,1|3,0,0]=4 450 B12R1.130 CC(=CCSc1c[nH]nc1C)C 62a_100000761012_100000692133 [0,0,0,0,0,1|3,0,0]=4 451 B12R1.130 CC(=CCSc1ccnn1C)C 62a_100000688441_100000761012 [0,0,0,0,0,1|3,0,0]=4 452 B12R1.130 CC(=CCSc1ccnn1C)C 62a_100000761012_100000688441 [0,0,0,0,0,1|3,0,0]=4 453 B12R1.130 CC(=CCSc1ccsc1C)C 62a_100000684487_100000761012 [0,0,0,0,0,1|2,0,0]=3 454 B12R1.130 CC(=CCSc1ccsc1C)C 62a_100000761012_100000684487 [0,0,0,0,0,1|2,0,0]=3 455 B12R1.130 CC(=CCSc1cncn1C)C 62a_100000761012_100009814087 [0,0,0,0,0,1|3,0,0]=4 456 B12R1.130 CC(=CCSc1cncn1C)C 62a_100009814087_100000761012 [0,0,0,0,0,1|3,0,0]=4 457 B12R1.130 CC(=CCSc1cnoc1C)C 62a_100000761012_100009872056 [0,0,0,0,0,1|3,0,0]=4 458 B12R1.130 CC(=CCSc1cnoc1C)C 62a_100009872056_100000761012 [0,0,0,0,0,1|3,0,0]=4 459 B12R1.130 CC(=CCSc1cscc1Br)C 62a_100000761012_100010143727 [0,0,0,0,0,1|3,0,0]=4 460 B12R1.130 CC(=CCSc1cscc1Br)C 62a_100010143727_100000761012 [0,0,0,0,0,1|3,0,0]=4 461 B12R1.130 CC(=CCSc1cscc1C)C 62a_100000759966_100000761012 [0,0,0,0,0,1|2,0,0]=3 462 B12R1.130 CC(=CCSc1cscc1C)C 62a_100000761012_100000759966 [0,0,0,0,0,1|2,0,0]=3 463 B12R1.130 CC(=CCSc1n[nH]cc1Br)C 62a_100000761012_100015839836 [0,0,0,0,0,1|3,0,0]=4 464 B12R1.130 CC(=CCSc1n[nH]cc1Br)C 62a_100015839836_100000761012 [0,0,0,0,0,1|3,0,0]=4 465 B12R1.130 CC(=CCSc1n[nH]cc1C)C 62a_100000761012_100009871783 [0,0,0,0,0,1|2,0,0]=3 466 B12R1.130 CC(=CCSc1n[nH]cc1C)C 62a_100009871783_100000761012 [0,0,0,0,0,1|2,0,0]=3 467 B12R1.130 CC(=CCSc1n[nH]cc1N)C 62a_100000761012_100010894806 [0,0,0,0,0,1|3,0,0]=4 468 B12R1.130 CC(=CCSc1n[nH]cc1N)C 62a_100010894806_100000761012 [0,0,0,0,0,1|3,0,0]=4 469 B12R1.130 CC(=CCSc1nc[nH]c1C)C 62a_100000761012_100010186451 [0,0,0,0,0,1|2,0,0]=3 470 B12R1.130 CC(=CCSc1nc[nH]c1C)C 62a_100010186451_100000761012 [0,0,0,0,0,1|2,0,0]=3 471 B12R1.130 CC(=CCSc1nccn1C)C 62a_100000707724_100000761012 [0,0,0,0,0,1|2,0,0]=3 472 B12R1.130 CC(=CCSc1nccn1C)C 62a_100000761012_100000707724 [0,0,0,0,0,1|2,0,0]=3 473 B12R1.130 CC(=CCSc1ncnn1C)C 62a_100000732653_100000761012 [0,0,0,0,0,1|3,0,0]=4 474 B12R1.130 CC(=CCSc1ncnn1C)C 62a_100000761012_100000732653 [0,0,0,0,0,1|3,0,0]=4 475 B12R1.130 CC(=CCSc1ncsc1C)C 62a_100000732656_100000761012 [0,0,0,0,0,1|2,0,0]=3 476 B12R1.130 CC(=CCSc1ncsc1C)C 62a_100000761012_100000732656 [0,0,0,0,0,1|2,0,0]=3 477 B12R1.130 CC(=CCSc1sccc1Br)C 62a_100000761012_100012361411 [0,0,0,0,0,1|1,1,0]=3 478 B12R1.130 CC(=CCSc1sccc1Br)C 62a_100012361411_100000761012 [0,0,0,0,0,1|1,1,0]=3 479 B12R1.130 CC(=CCSc1sccc1C)C 62a_100000761012_100010247149 [0,0,0,0,0,1|0,1,0]=2 480 B12R1.130 CC(=CCSc1sccc1C)C 62a_100010247149_100000761012 [0,0,0,0,0,1|0,1,0]=2 481 B12R1.130 CC(=CCSc1scnc1C)C 62a_100000761012_100009817116 [0,0,0,0,0,1|1,1,0]=3 482 B12R1.130 CC(=CCSc1scnc1C)C 62a_100009817116_100000761012 [0,0,0,0,0,1|1,1,0]=3 483 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [0,0,0,0,0,1|1,1,1]=4 484 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [0,0,0,0,0,1|1,1,1]=4 485 B12R1.130 CC(=O)NN=Cc1occc1C 4a_100000189765_100000763527 [0,0,0,0,0,1|2,0,1]=4 486 B12R1.130 CC(=O)OCSc1sccc1C 62a_100000076356_100010247149 [0,0,0,0,0,1|2,1,0]=4 487 B12R1.130 CC(=O)OCSc1sccc1C 62a_100010247149_100000076356 [0,0,0,0,0,1|2,1,0]=4 488 B12R1.130 CC(C)CNCc1occc1Br 270004a_100000210953_100000756499 [0,0,0,0,0,1|1,0,2]=4 489 B12R1.130 Cc1ccoc1C=NNC(C)C 4a_100000741168_100000763527 [0,0,0,0,0,1|1,0,2]=4 490 B12R1.130 Cc1ccoc1CNCC(C)C 207a_100000210953_100000763527 [0,0,0,0,0,1|0,0,2]=3 491 B12R1.130 Cc1ccoc1CNCC(C)C 270004a_100000210953_100000763527 [0,0,0,0,0,1|0,0,2]=3 492 B12R1.130 Cc1ccoc1CNCC(C)O 207a_100000210904_100000763527 [0,0,0,0,0,1|1,0,2]=4 493 B12R1.130 Cc1ccoc1CNCC(C)O 270004a_100000210904_100000763527 [0,0,0,0,0,1|1,0,2]=4 494 B12R1.130 Cc1ccoc1COCC(=O)N 34a_100011273948_100000187820 [0,0,0,0,0,1|2,0,1]=4 495 B12R1.130 Cc1ccoc1COCC(=O)N 7a_100011273948_100000187820 [0,0,0,0,0,1|2,0,1]=4 496 B12R1.130 Cc1ccoc1COCC(=O)[O-] 34a_100011273948_100020667443 [0,0,0,0,0,1|2,0,1]=4 497 B12R1.130 Cc1ccoc1COCC(C)C 34a_100011273948_100000210624 [0,0,0,0,0,1|0,0,2]=3 498 B12R1.130 Cc1ccoc1COCC(C)C 7a_100011273948_100000210760 [0,0,0,0,0,1|0,0,2]=3 499 B12R1.130 Cc1ccoc1COCC(C)O 34a_100011273948_100011218427 [0,0,0,0,0,1|1,0,2]=4 500 B12R1.130 Cc1ccoc1COCC(C)O 7a_100011273948_100011218427 [0,0,0,0,0,1|1,0,2]=4 501 B12R1.130 Cc1ccoc1COC[C@@H](C)O 34a_100011273948_100009817552 [0,0,0,0,0,1|1,0,2]=4 502 B12R1.130 Cc1ccoc1COC[C@@H](C)O 7a_100011273948_100009817552 [0,0,0,0,0,1|1,0,2]=4 503 B12R1.130 Cc1ccsc1C=CCC(C)C 271570a_100016259101_100000742657 [0,0,0,0,0,1|0,1,2]=4 504 B12R1.130 Cc1ccsc1CNCC(C)C 207a_100000210953_100000210881 [0,0,0,0,0,1|0,1,2]=4 505 B12R1.130 Cc1ccsc1CNCC(C)C 2230a_100000238519_100000210760 [0,0,0,0,0,1|0,1,2]=4 506 B12R1.130 Cc1ccsc1CNCC(C)C 270004a_100000210953_100000210881 [0,0,0,0,0,1|0,1,2]=4 507 B12R1.130 Cc1ccsc1CNCC(C)C 270004a_100000238519_100000210432 [0,0,0,0,0,1|0,1,2]=4 508 B12R1.130 Cc1ccsc1CNCC(C)C 34a_100000238519_100000210624 [0,0,0,0,0,1|0,1,2]=4 509 B12R1.130 Cc1ccsc1COCC(C)C 34a_100000238368_100000210624 [0,0,0,0,0,1|0,1,2]=4 510 B12R1.130 Cc1ccsc1COCC(C)C 7a_100000238368_100000210760 [0,0,0,0,0,1|0,1,2]=4 511 B12R1.130 Cc1ccsc1SCCC(C)C 62a_100000210312_100010247149 [0,0,0,0,0,1|0,1,2]=4 512 B12R1.130 Cc1ccsc1SCCC(C)C 62a_100010247149_100000210312 [0,0,0,0,0,1|0,1,2]=4 513 B12R1.130 Cc1ccsc1SCCN(C)C 62a_100010247149_100000755713 [0,0,0,0,0,1|1,1,1]=4 514 B12R1.130 Cc1ccsc1SCOC(C)C 62a_100000709892_100010247149 [0,0,0,0,0,1|1,1,1]=4 515 B12R1.130 Cc1ccsc1SCOC(C)C 62a_100010247149_100000709892 [0,0,0,0,0,1|1,1,1]=4 516 B12R1.130 Cc1cnoc1COCC(C)C 34a_200011065769_100000210624 [0,0,0,0,0,1|1,0,2]=4 517 B12R1.130 Cc1ncoc1COCC(C)C 34a_100000717716_100000210624 [0,0,0,0,0,1|1,0,2]=4 518 B12R1.130 Cc1ncoc1COCC(C)C 7a_100000717716_100000210760 [0,0,0,0,0,1|1,0,2]=4 519 B12R1.226 CC(=CCN1CCC=C(C1)C)C 2230a_100000725631_100000761012 [0,0,0,0,0,1|2,0,1]=4 520 B12R1.226 CC(=CCN1CCC=C(C1)C)C 269982a_100000725631_100000761012 [0,0,0,0,0,1|2,0,1]=4 521 B12R1.226 CC(=CCN1CCC=C(C1)C)C 34a_100000725631_100000761012 [0,0,0,0,0,1|2,0,1]=4 522 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,0,0,0,0,1|2,0,1]=4 523 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,0,0,0,0,1|2,0,1]=4 524 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,0,0,0,0,1|2,0,1]=4 525 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,0,0,0,0,1|3,0,0]=4 526 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,0,0,0,0,1|3,0,0]=4 527 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,0,0,0,0,1|3,0,0]=4 528 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,0,0,0,0,1|3,0,0]=4 529 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,0,0,0,0,1|3,0,0]=4 530 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,0,0,0,0,1|3,0,0]=4 531 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,0,0,0,0,1|3,0,0]=4 532 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,0,0,0,0,1|3,0,0]=4 533 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,0,0,0,0,1|3,0,0]=4 534 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,0,0,0,0,1|3,0,0]=4 535 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,0,0,0,0,1|3,0,0]=4 536 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,0,0,0,0,1|3,0,0]=4 537 B12R1.226 CC(=O)NCc1nccc(n1)C 11a_100015186494_100015343762 [0,0,0,0,0,1|3,0,0]=4 538 B12R1.226 CC(=O)NCc1nccc(n1)C 1626a_100015186494_100015343762 [0,0,0,0,0,1|3,0,0]=4 539 B12R1.226 CC(=O)NCc1nccc(n1)C 240690a_100015186494_100015343762 [0,0,0,0,0,1|3,0,0]=4 540 B12R1.226 CC(=O)NCc1nccc(n1)C 527a_100015186494_100103153847 [0,0,0,0,0,1|3,0,0]=4 541 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,0,0,0,0,1|2,0,1]=4 542 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,0,0,0,0,1|1,0,2]=4 543 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,0,0,0,0,1|2,0,1]=4 544 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [0,0,0,0,0,1|2,0,1]=4 545 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [0,0,0,0,0,1|2,0,1]=4 546 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [0,0,0,0,0,1|2,0,1]=4 547 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [0,0,0,0,0,1|2,0,1]=4 548 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [0,0,0,0,0,1|2,0,1]=4 549 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [0,0,0,0,0,1|2,0,1]=4 550 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [0,0,0,0,0,1|2,0,1]=4 551 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [0,0,0,0,0,1|2,0,1]=4 552 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [0,0,0,0,0,1|2,0,1]=4 553 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [0,0,0,0,0,1|2,0,1]=4 554 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [0,0,0,0,0,1|2,0,1]=4 555 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [0,0,0,0,0,1|2,0,1]=4 556 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [0,0,0,0,0,1|2,0,1]=4 557 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [0,0,0,0,0,1|2,0,1]=4 558 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [0,0,0,0,0,1|2,0,1]=4 559 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [0,0,0,0,0,1|2,0,1]=4 560 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000210206_100000211840 [0,0,0,0,0,1|2,0,1]=4 561 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000211840_100000210206 [0,0,0,0,0,1|2,0,1]=4 562 B12R1.226 Cc1cccc(n1)C=CC(C)C 271570a_100016257149_100000742759 [0,0,0,0,0,1|1,0,2]=4 563 B12R1.226 Cc1cccc(n1)CNC(C)C 207a_100138425928_100011215050 [0,0,0,0,0,1|2,0,1]=4 564 B12R1.226 Cc1cccc(n1)CNC(C)C 2230a_100138425928_100000757606 [0,0,0,0,0,1|2,0,1]=4 565 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100000701342_100000210206 [0,0,0,0,0,1|2,0,1]=4 566 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100138425928_100000757606 [0,0,0,0,0,1|2,0,1]=4 567 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000212225_100000757606 [0,0,0,0,0,1|2,0,1]=4 568 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000690600_100000210206 [0,0,0,0,0,1|2,0,1]=4 569 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000210206_100000757606 [0,0,0,0,0,1|2,0,1]=4 570 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000757606_100000210206 [0,0,0,0,0,1|2,0,1]=4 571 B12R1.226 Cc1ccnc(c1)C=CC(C)C 271570a_100016257149_100000750283 [0,0,0,0,0,1|1,0,2]=4 572 B12R1.226 Cc1ccnc(c1)CNC(C)C 207a_100138425928_100011361488 [0,0,0,0,0,1|2,0,1]=4 573 B12R1.226 Cc1ccnc(c1)CNC(C)C 2230a_100138425928_100000718516 [0,0,0,0,0,1|2,0,1]=4 574 B12R1.226 Cc1ccnc(c1)CNC(C)C 34a_100138425928_100000718516 [0,0,0,0,0,1|2,0,1]=4 575 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100000212225_100000718516 [0,0,0,0,0,1|2,0,1]=4 576 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100011998357_100000210206 [0,0,0,0,0,1|2,0,1]=4 577 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000210206_100000718516 [0,0,0,0,0,1|2,0,1]=4 578 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000718516_100000210206 [0,0,0,0,0,1|2,0,1]=4 579 B12R1.226 Cc1ccnc(n1)C=CC(C)C 271570a_100016257149_100011243806 [0,0,0,0,0,1|1,0,2]=4 580 B12R1.226 Cc1ccnc(n1)CNC(C)C 2230a_100015186494_100000210206 [0,0,0,0,0,1|2,0,1]=4 581 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [1,0,1,0,0,0|1,0,1]=4 582 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [1,0,1,0,0,0|2,0,0]=4 583 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [1,0,1,0,0,0|1,0,1]=4 584 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [1,0,1,0,0,0|1,0,1]=4 585 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [1,0,1,0,0,0|1,0,1]=4 586 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [1,0,1,0,0,0|1,0,1]=4 587 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [1,0,1,0,0,0|0,0,1]=3 588 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [1,0,1,0,0,0|0,0,1]=3 589 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [1,0,1,0,0,0|0,1,1]=4 590 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [1,0,1,0,0,0|0,1,1]=4 591 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,0,1,0,0,0|0,0,2]=4 592 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [1,0,1,0,0,0|1,0,1]=4 593 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [1,0,1,0,0,0|0,0,1]=3 594 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [1,0,1,0,0,0|0,1,1]=4 595 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [1,0,1,0,0,0|0,1,1]=4 596 B9R0.45 C/C=C/CCOC/C=C/C 34a_100016278192_100102629194 [1,0,1,0,0,0|0,0,2]=4 597 B9R0.45 CC=CCOCC/C=C/C 34a_100016278192_100000070051 [1,0,1,0,0,0|0,0,2]=4 598 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [1,0,1,0,0,0|0,0,2]=4 599 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [1,0,1,0,0,0|0,0,2]=4 600 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [1,0,1,0,0,0|2,0,0]=4 601 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [1,0,1,0,0,0|2,0,0]=4 602 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [1,0,1,0,0,0|1,0,1]=4 603 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [1,0,1,0,0,0|1,0,1]=4 604 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [1,0,1,0,0,0|1,0,1]=4 605 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [1,0,1,0,0,0|0,0,2]=4 606 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [1,0,1,0,0,0|0,0,1]=3 607 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [1,0,1,0,0,0|0,0,2]=4 608 B9R0.8 C=CC(C)C(=O)C/C=C/C 1458a_100011216780_100102629194 [1,0,1,0,0,0|0,0,2]=4 609 B9R0.8 C=CC(C)C(=O)CC=CC 1458a_100011216780_100000070051 [1,0,1,0,0,0|0,0,2]=4 610 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [1,0,1,0,0,0|0,0,2]=4 611 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [2,0,0,0,0,0|0,0,2]=4 612 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [2,0,0,0,0,0|1,0,1]=4 613 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [2,0,0,0,0,0|1,0,1]=4 614 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [2,0,0,0,0,0|1,0,1]=4 615 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [2,0,0,0,0,0|1,0,1]=4 616 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [2,0,0,0,0,0|1,0,1]=4 617 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [2,0,0,0,0,0|1,0,1]=4 618 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [2,0,0,0,0,0|1,0,1]=4 619 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [2,0,0,0,0,0|1,0,1]=4 620 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [2,0,0,0,0,0|1,0,1]=4 621 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.33 CC=Cc1n[nH]cc1C 271570a_100016259895_100009871783 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.33 CC=Cc1nc[nH]c1C 271570a_100016259895_100009816806 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.33 CC=Cc1ncsc1C 271570a_100016259895_100000732656 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [2,0,0,0,0,0|1,1,0]=4 628 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [2,0,0,0,0,0|0,1,0]=3 629 B9R1.33 CC=Cc1scnc1C 271570a_100016259895_100009817116 [2,0,0,0,0,0|1,1,0]=4 630 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [2,0,0,0,0,0|2,0,0]=4 631 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [2,0,0,0,0,0|1,0,0]=3 632 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [2,0,0,0,0,0|1,0,0]=3 633 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [2,0,0,0,0,0|1,1,0]=4 634 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [2,0,0,0,0,0|1,1,0]=4 635 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [2,0,0,0,0,0|1,1,0]=4 636 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [2,0,0,0,0,0|1,1,0]=4 637 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [2,0,0,0,0,0|1,0,0]=3 638 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [2,0,0,0,0,0|1,0,0]=3 639 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [2,0,0,0,0,0|1,1,0]=4 643 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [2,0,0,0,0,0|1,1,0]=4 644 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [2,0,0,0,0,0|1,0,0]=3 645 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [2,0,0,0,0,0|1,0,0]=3 646 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [2,0,0,0,0,0|1,1,0]=4 647 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [2,0,0,0,0,0|1,1,0]=4 648 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [2,0,0,0,0,0|1,1,0]=4 649 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [2,0,0,0,0,0|1,1,0]=4 650 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [2,0,0,0,0,0|2,0,0]=4 651 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [2,0,0,0,0,0|2,0,0]=4 653 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,1,1,0,0,0|0,0,2]=4 654 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,1,1,0,0,0|0,0,2]=4 655 B11R0.59 CC/C=C(\C)/C(=O)CC=C(C)C 1458a_100016988807_100000761012 [0,1,1,0,0,0|1,0,1]=4 656 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,1,1,0,0,0|0,0,2]=4 657 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,1,1,0,0,0|0,0,2]=4 658 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,1,1,0,0,0|0,0,2]=4 659 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,1,1,0,0,0|0,0,2]=4 660 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,1,1,0,0,0|0,0,2]=4 661 B11R0.147 COC=CC(=O)CCC=C(C)C 1458a_100016268678_100011217483 [0,1,1,0,0,0|1,0,1]=4 662 B11R0.147 COC=CC(=O)NCC=C(C)C 1626a_100000718196_100016268678 [0,1,1,0,0,0|2,0,0]=4 663 B11R0.30 CC(=CCCOCC=C(C)C)C 34a_100000753907_100011217483 [0,1,1,0,0,0|0,0,2]=4 664 B11R0.46 C/C=C/C=CC(=O)CC=C(C)C 1458a_100000185730_100000761012 [0,1,1,0,0,0|1,0,0]=3 665 B11R0.46 CC/C=C/CC(=O)CC=C(C)C 1458a_100016274230_100000761012 [0,1,1,0,0,0|1,0,1]=4 666 B11R0.46 CC/C=C\CC(=O)CC=C(C)C 1458a_100011220947_100103147603 [0,1,1,0,0,0|1,0,1]=4 667 B11R0.148 C/C=C/C=C/COCC=C(C)C 34a_100016283227_100000761012 [0,1,1,0,0,0|1,0,1]=4 668 B11R0.148 C/C=C/CCOCCC=C(C)C 34a_100016278192_100011217483 [0,1,1,0,0,0|0,0,2]=4 669 B11R0.148 CC/C=C\COCCC=C(C)C 34a_100016268518_100011217483 [0,1,1,0,0,0|0,0,2]=4 670 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,1,1,0,0,0|0,0,2]=4 671 B11R0.129 C=CC(C)(C)C(=O)CC=C(C)C 1458a_100012027013_100000761012 [0,1,1,0,0,0|0,0,2]=4 672 B11R1.18 CCNCc1occc1OC 207a_100015525214_200009856553 [1,1,0,0,0,0|1,0,1]=4 673 B11R1.18 CCNCc1occc1OC 270004a_100015525214_200009856553 [1,1,0,0,0,0|1,0,1]=4 674 B11R1.180 C/C=C/CSc1ccsc1C 62a_100000684487_100102629194 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.180 C/C=C/CSc1ccsc1C 62a_100102629194_100000684487 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.180 C/C=C/CSc1cscc1C 62a_100000759966_100102629194 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.180 C/C=C/CSc1cscc1C 62a_100102629194_100000759966 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.180 C/C=C/CSc1n[nH]cc1C 62a_100009871783_100102629194 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.180 C/C=C/CSc1n[nH]cc1C 62a_100102629194_100009871783 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.180 C/C=C/CSc1nc[nH]c1C 62a_100010186451_100102629194 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.180 C/C=C/CSc1nc[nH]c1C 62a_100102629194_100010186451 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.180 C/C=C/CSc1nccn1C 62a_100000707724_100102629194 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.180 C/C=C/CSc1nccn1C 62a_100102629194_100000707724 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.180 C/C=C/CSc1ncsc1C 62a_100000732656_100102629194 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.180 C/C=C/CSc1ncsc1C 62a_100102629194_100000732656 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.180 C/C=C/CSc1sccc1Br 62a_100012361411_100102629194 [1,1,0,0,0,0|1,1,0]=4 687 B11R1.180 C/C=C/CSc1sccc1Br 62a_100102629194_100012361411 [1,1,0,0,0,0|1,1,0]=4 688 B11R1.180 C/C=C/CSc1sccc1C 62a_100010247149_100102629194 [1,1,0,0,0,0|0,1,0]=3 689 B11R1.180 C/C=C/CSc1sccc1C 62a_100102629194_100010247149 [1,1,0,0,0,0|0,1,0]=3 690 B11R1.180 C/C=C/CSc1scnc1C 62a_100009817116_100102629194 [1,1,0,0,0,0|1,1,0]=4 691 B11R1.180 C/C=C/CSc1scnc1C 62a_100102629194_100009817116 [1,1,0,0,0,0|1,1,0]=4 692 B11R1.180 C=CCNCc1occc1C 270004a_100020586998_100000763527 [1,1,0,0,0,0|0,0,2]=4 693 B11R1.180 C=CCOCc1occc1C 34a_100011273948_100015514636 [1,1,0,0,0,0|0,0,2]=4 694 B11R1.180 C=CCOCc1occc1C 7a_100011273948_100015514636 [1,1,0,0,0,0|0,0,2]=4 695 B11R1.180 CC=CCSc1ccsc1C 62a_100000070051_100000684487 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.180 CC=CCSc1ccsc1C 62a_100000684487_100000070051 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.180 CC=CCSc1cscc1C 62a_100000070051_100000759966 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.180 CC=CCSc1cscc1C 62a_100000759966_100000070051 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.180 CC=CCSc1n[nH]cc1C 62a_100000070051_100009871783 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.180 CC=CCSc1n[nH]cc1C 62a_100009871783_100000070051 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.180 CC=CCSc1nc[nH]c1C 62a_100000070051_100010186451 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.180 CC=CCSc1nc[nH]c1C 62a_100010186451_100000070051 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.180 CC=CCSc1nccn1C 62a_100000070051_100000707724 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.180 CC=CCSc1nccn1C 62a_100000707724_100000070051 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.180 CC=CCSc1ncsc1C 62a_100000070051_100000732656 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.180 CC=CCSc1ncsc1C 62a_100000732656_100000070051 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.180 CC=CCSc1sccc1Br 62a_100000070051_100012361411 [1,1,0,0,0,0|1,1,0]=4 708 B11R1.180 CC=CCSc1sccc1Br 62a_100012361411_100000070051 [1,1,0,0,0,0|1,1,0]=4 709 B11R1.180 CC=CCSc1sccc1C 62a_100000070051_100010247149 [1,1,0,0,0,0|0,1,0]=3 710 B11R1.180 CC=CCSc1sccc1C 62a_100010247149_100000070051 [1,1,0,0,0,0|0,1,0]=3 711 B11R1.180 CC=CCSc1scnc1C 62a_100000070051_100009817116 [1,1,0,0,0,0|1,1,0]=4 712 B11R1.180 CC=CCSc1scnc1C 62a_100009817116_100000070051 [1,1,0,0,0,0|1,1,0]=4 713 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [1,1,0,0,0,0|0,0,2]=4 714 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [1,1,0,0,0,0|0,0,2]=4 715 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [1,1,0,0,0,0|0,0,2]=4 716 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [1,1,0,0,0,0|0,0,2]=4 717 B11R1.180 CSCOCc1occc1C 34a_100011273948_100011218213 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.180 Cc1ccoc1CNCCO 207a_100000210304_100000763527 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.180 Cc1ccoc1CNCCO 270004a_100000210304_100000763527 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.180 Cc1ccoc1COCCF 34a_100011273948_100011217306 [1,1,0,0,0,0|1,0,1]=4 723 B11R1.180 Cc1ccoc1COCCF 7a_100011273948_100011217306 [1,1,0,0,0,0|1,0,1]=4 724 B11R1.180 Cc1ccoc1COCCO 34a_100011273948_100000211926 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.180 Cc1ccoc1COCCO 7a_100011273948_100000211926 [1,1,0,0,0,0|1,0,1]=4 726 B11R1.228 CCN(C)Cc1occc1C 2230a_100000734364_100000210202 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.228 CCN(C)Cc1occc1C 269982a_100000734364_100000204670 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [1,1,0,0,0,0|0,0,2]=4 729 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [1,1,0,0,0,0|0,0,2]=4 730 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [1,1,0,0,0,0|1,0,1]=4 731 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [1,1,0,0,0,0|1,0,1]=4 740 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [1,1,0,0,0,0|1,0,1]=4 741 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [1,1,0,0,0,0|1,0,1]=4 742 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [1,1,0,0,0,0|1,0,1]=4 743 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [1,1,0,0,0,0|1,0,1]=4 744 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [1,1,0,0,0,0|1,0,1]=4 745 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [1,1,0,0,0,0|0,0,2]=4 752 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [1,1,0,0,0,0|0,0,2]=4 753 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [1,1,0,0,0,0|1,0,1]=4 755 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [1,1,0,0,0,0|1,0,1]=4 757 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [1,1,0,0,0,0|1,0,1]=4 758 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.35 C=C(C)C(=O)Cc1ncco1 1458a_100000185857_103436540062 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [1,1,0,0,0,0|1,0,1]=4 763 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [1,1,0,0,0,0|0,0,1]=3 768 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [1,1,0,0,0,0|0,1,1]=4 769 B11R1.35 CC(C)C(=O)Cc1ncco1 1458a_100000210198_103436540062 [1,1,0,0,0,0|1,0,1]=4 770 B11R1.35 CC(C)N(C)Cc1ccco1 2230a_100000185268_100000210206 [1,1,0,0,0,0|1,0,1]=4 771 B11R1.35 CC(C)N(C)Cc1ccco1 269982a_100000185268_100000210206 [1,1,0,0,0,0|1,0,1]=4 772 B11R1.35 CC(C)N(C)Cc1ccco1 270004a_200000211004_100000186105 [1,1,0,0,0,0|1,0,1]=4 773 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 11a_100102631434_100000238377 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 240690a_100102631434_100000238377 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 527a_100102631434_100000238377 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [1,1,0,0,0,0|1,0,0]=3 778 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.35 CN(C)C(=O)Cc1cccs1 11a_100102631434_100000210189 [1,1,0,0,0,0|1,1,0]=4 780 B11R1.35 CN(C)C(=O)Cc1cccs1 1626a_100102631434_100000210189 [1,1,0,0,0,0|1,1,0]=4 781 B11R1.35 CN(C)C(=O)Cc1cccs1 240690a_100102631434_100000210189 [1,1,0,0,0,0|1,1,0]=4 782 B11R1.75 CC(=CCc1nc(no1)C)C 270196a_100000212224_100011220947 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [1,1,0,0,0,0|1,0,1]=4 784 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [1,1,0,0,0,0|1,0,1]=4 785 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [1,1,0,0,0,0|1,0,1]=4 786 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.75 CC(C)NCc1ccc(o1)Br 207a_100138425928_100000185145 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.75 CC(C)NCc1ccc(o1)Br 34a_100000708654_100000210206 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.75 CC(C)NCc1ccc(o1)Cl 207a_100138425928_100000188459 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.75 CC(C)NCc1ccc(o1)I 207a_100138425928_100000186757 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.75 CC(C)OCc1ccc(o1)Br 34a_100000246276_100000210206 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.75 CC(C)OCc1ccc(o1)Br 7a_100000246276_100000210206 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [1,1,0,0,0,0|0,0,2]=4 812 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [1,1,0,0,0,0|1,0,1]=4 815 B11R1.510 CC(C)(C)C=Cc1ccco1 271570a_100102527731_100009814098 [1,1,0,0,0,0|0,0,2]=4 816 B11R1.510 CC(C)(C)NCc1ccco1 207a_100000715429_100000186105 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.510 CC(C)(C)NCc1ccco1 34a_100000185738_100000210625 [1,1,0,0,0,0|1,0,1]=4 818 B11R1.510 CC(C)(C)OCc1ccco1 34a_100000210059_100000210625 [1,1,0,0,0,0|1,0,1]=4 819 B11R1.510 CC(C)(O)C=Cc1ccco1 271570a_200016258132_100009814098 [1,1,0,0,0,0|0,0,2]=4 820 B11R1.57 CC(=Cc1ccsc1CO)C 271570a_100102525489_100000702026 [0,1,0,0,1,0|2,0,0]=4 821 B11R1.57 CC(=Cc1cscc1CO)C 271570a_100102525489_100000724555 [0,1,0,0,1,0|2,0,0]=4 822 B11R1.57 CC(=Cc1ncsc1CO)C 271570a_100102525489_100012000948 [0,1,0,0,1,0|2,0,0]=4 823 B11R1.57 CC(=Cc1sccc1C#N)C 271570a_100102525489_100009817073 [0,1,0,0,1,0|0,1,1]=4 824 B11R1.57 CC(=Cc1sccc1C=O)C 271570a_100102525489_100009816921 [0,1,0,0,1,0|0,1,1]=4 825 B11R1.57 CC(=Cc1sccc1CN)C 271570a_100102525489_100000727803 [0,1,0,0,1,0|0,1,0]=3 826 B11R1.57 CC(=Cc1sccc1CO)C 271570a_100102525489_100009816922 [0,1,0,0,1,0|0,1,0]=3 827 B11R1.57 CCc1ccsc1C=C(C)C 271570a_100102525489_200009875468 [0,1,0,0,1,0|0,1,0]=3 828 B11R1.57 CCc1cscc1C=C(C)C 271570a_100102525489_100011068457 [0,1,0,0,1,0|2,0,0]=4 829 B11R1.57 CCn1ccnc1C=C(C)C 271570a_100102525489_100011617267 [0,1,0,0,1,0|2,0,0]=4 830 B11R1.57 COc1ccoc1CN(C)C 270004a_100102631434_200009856553 [0,1,0,0,1,0|1,0,0]=3 831 B11R1.57 COc1ccsc1CN(C)C 270004a_100102631434_100000689126 [0,1,0,0,1,0|1,1,0]=4 832 B11R1.57 CSc1sccc1C=C(C)C 271570a_100102525489_200010341309 [0,1,0,0,1,0|2,0,0]=4 833 B11R1.89 CC(=C(C)c1ccsc1C)C 271570a_200000049429_100000684487 [0,1,0,0,1,0|2,0,0]=4 834 B11R1.89 CC(=C(C)c1cscc1C)C 271570a_200000049429_100000759966 [0,1,0,0,1,0|2,0,0]=4 835 B11R1.89 CC(=C(C)c1n[nH]cc1C)C 271570a_200000049429_100009871783 [0,1,0,0,1,0|2,0,0]=4 836 B11R1.89 CC(=C(C)c1nc[nH]c1C)C 271570a_200000049429_100009816806 [0,1,0,0,1,0|2,0,0]=4 837 B11R1.89 CC(=C(C)c1nccn1C)C 271570a_200000049429_100000707724 [0,1,0,0,1,0|2,0,0]=4 838 B11R1.89 CC(=C(C)c1ncsc1C)C 271570a_200000049429_100000732656 [0,1,0,0,1,0|2,0,0]=4 839 B11R1.89 CC(=C(C)c1sccc1Br)C 271570a_200000049429_100012361411 [0,1,0,0,1,0|1,1,0]=4 840 B11R1.89 CC(=C(C)c1sccc1C)C 271570a_200000049429_100000742657 [0,1,0,0,1,0|0,1,0]=3 841 B11R1.89 CC(=C(C)c1scnc1C)C 271570a_200000049429_100009817116 [0,1,0,0,1,0|1,1,0]=4 842 B11R1.313 CC(=Cc1csc(c1C)C)C 271570a_100102525489_100009820295 [0,1,0,0,1,0|2,0,0]=4 843 B11R1.313 CC(=Cc1n[nH]c(c1C)C)C 271570a_100102525489_100015309786 [0,1,0,0,1,0|2,0,0]=4 844 B11R1.313 CC(=Cc1ncc(n1C)C)C 271570a_100102525489_100009816807 [0,1,0,0,1,0|2,0,0]=4 845 B11R1.645 CC(=Cc1cc(sc1C)C)C 271570a_100102525489_100000688054 [0,1,0,0,1,0|2,0,0]=4 846 B11R1.645 CC(=Cc1nc(cn1C)C)C 271570a_100102525489_100009816808 [0,1,0,0,1,0|2,0,0]=4 847 B11R1.645 CC(=Cc1nc(sc1C)C)C 271570a_100102525489_100010270876 [0,1,0,0,1,0|2,0,0]=4 848 B11R1.645 CC(=Cc1nc(sc1C)N)C 271570a_100102525489_100009817509 [0,1,0,0,1,0|2,0,0]=4 849 B11R1.645 CC(=Cc1nn(cc1C)C)C 271570a_100102525489_100012644376 [0,1,0,0,1,0|2,0,0]=4 850 B11R1.645 CC(=Cc1sc(cc1C)C)C 271570a_100102525489_100000689295 [0,1,0,0,1,0|0,1,0]=3 851 B11R1.645 CC(=Cc1sc(nc1C)C)C 271570a_100102525489_100009814099 [0,1,0,0,1,0|1,1,0]=4 852 B11R1.645 CC(=O)Cc1oc(=O)oc1C 1458a_100000070787_100000068490 [0,1,0,0,1,0|2,0,0]=4 853 B11R1.645 Cc1cc(sc1CN(C)C)Br 270004a_100102631434_100010221198 [0,1,0,0,1,0|1,1,0]=4 854 B11R1.645 Cc1oc(=O)oc1CN(C)C 269982a_100102631434_100000068490 [0,1,0,0,1,0|2,0,0]=4 855 B13R1.202 C=C(C)C(=O)Cc1ccccc1C 1458a_100000185857_100000211839 [0,1,0,0,0,1|1,0,1]=4 856 B13R1.202 C=C(C)C(=O)Cc1cccnc1C 1458a_100000185857_100000732876 [0,1,0,0,0,1|1,0,1]=4 857 B13R1.202 C=C(C)C(=O)Cc1ccncc1C 1458a_100000185857_100020672808 [0,1,0,0,0,1|1,0,1]=4 858 B13R1.202 C=C(C)C(=O)Cc1cnccc1C 1458a_100000185857_100000690890 [0,1,0,0,0,1|1,0,1]=4 859 B13R1.202 C=C(C)C(=O)Cc1ncccc1C 1458a_100000185857_100000696600 [0,1,0,0,0,1|1,0,1]=4 860 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000211839 [0,1,0,0,0,1|1,0,1]=4 861 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000212180_100000210206 [0,1,0,0,0,1|1,0,1]=4 862 B13R1.202 Cc1ccccc1CC(=O)N(C)C 11a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 863 B13R1.202 Cc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 864 B13R1.202 Cc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 865 B13R1.202 Cc1ccccc1CC(=O)N(C)C 527a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 866 B13R1.202 Cc1cccnc1CC(=O)C(C)C 1458a_100000210198_100000696600 [0,1,0,0,0,1|1,0,1]=4 867 B13R1.202 Cc1cccnc1CC(=O)C(C)C 1458a_200000722269_100000210206 [0,1,0,0,0,1|1,0,1]=4 868 B13R1.202 Cc1cccnc1CC(=O)N(C)C 11a_100102631434_200000722269 [0,1,0,0,0,1|2,0,0]=4 869 B13R1.202 Cc1cccnc1CC(=O)N(C)C 1626a_100102631434_200000722269 [0,1,0,0,0,1|2,0,0]=4 870 B13R1.202 Cc1cccnc1CC(=O)N(C)C 240690a_100102631434_200000722269 [0,1,0,0,0,1|2,0,0]=4 871 B13R1.202 Cc1ccncc1CC(=O)C(C)C 1458a_100000210198_100000690890 [0,1,0,0,0,1|1,0,1]=4 872 B13R1.202 Cc1cnccc1CC(=O)C(C)C 1458a_100000210198_100020672808 [0,1,0,0,0,1|1,0,1]=4 873 B13R1.202 Cc1ncccc1CC(=O)C(C)C 1458a_100000210198_100000732876 [0,1,0,0,0,1|1,0,1]=4 874 B13R1.103 CC(=CCNc1sccc1C#N)C 27a_100000718196_100009817073 [0,1,0,0,0,1|0,1,1]=4 875 B13R1.103 CC(=CCSc1ccsc1CO)C 62a_100000702026_100000761012 [0,1,0,0,0,1|2,0,0]=4 876 B13R1.103 CC(=CCSc1ccsc1CO)C 62a_100000761012_100000702026 [0,1,0,0,0,1|2,0,0]=4 877 B13R1.103 CC(=CCSc1cscc1CO)C 62a_100000724555_100000761012 [0,1,0,0,0,1|2,0,0]=4 878 B13R1.103 CC(=CCSc1cscc1CO)C 62a_100000761012_100000724555 [0,1,0,0,0,1|2,0,0]=4 879 B13R1.103 CC(=CCSc1ncsc1CO)C 62a_100000761012_100012000948 [0,1,0,0,0,1|2,0,0]=4 880 B13R1.103 CC(=CCSc1ncsc1CO)C 62a_100012000948_100000761012 [0,1,0,0,0,1|2,0,0]=4 881 B13R1.103 CC(=CCSc1sccc1C#N)C 62a_100000761012_100009817073 [0,1,0,0,0,1|0,1,1]=4 882 B13R1.103 CC(=CCSc1sccc1C=O)C 62a_100000761012_100009816921 [0,1,0,0,0,1|0,1,1]=4 883 B13R1.103 CC(=CCSc1sccc1C=O)C 62a_100009816921_100000761012 [0,1,0,0,0,1|0,1,1]=4 884 B13R1.103 CC(=CCSc1sccc1CN)C 62a_100000727803_100000761012 [0,1,0,0,0,1|0,1,0]=3 885 B13R1.103 CC(=CCSc1sccc1CN)C 62a_100000761012_100000727803 [0,1,0,0,0,1|0,1,0]=3 886 B13R1.103 CC(=CCSc1sccc1CO)C 62a_100000761012_100009816922 [0,1,0,0,0,1|0,1,0]=3 887 B13R1.103 CC(=CCSc1sccc1CO)C 62a_100009816922_100000761012 [0,1,0,0,0,1|0,1,0]=3 888 B13R1.103 CCc1ccsc1SCC=C(C)C 62a_100000761012_200009875468 [0,1,0,0,0,1|0,1,0]=3 889 B13R1.103 CCc1ccsc1SCC=C(C)C 62a_200009875468_100000761012 [0,1,0,0,0,1|0,1,0]=3 890 B13R1.103 CCc1cscc1SCC=C(C)C 62a_100000761012_100011068457 [0,1,0,0,0,1|2,0,0]=4 891 B13R1.103 CCc1cscc1SCC=C(C)C 62a_100011068457_100000761012 [0,1,0,0,0,1|2,0,0]=4 892 B13R1.103 CCn1ccnc1SCC=C(C)C 62a_100000761012_100011617267 [0,1,0,0,0,1|2,0,0]=4 893 B13R1.103 CCn1ccnc1SCC=C(C)C 62a_100011617267_100000761012 [0,1,0,0,0,1|2,0,0]=4 894 B13R1.103 COc1ccoc1CNCC(C)C 207a_100000210953_200009856553 [0,1,0,0,0,1|0,0,2]=4 895 B13R1.103 COc1ccoc1CNCC(C)C 270004a_100000210953_200009856553 [0,1,0,0,0,1|0,0,2]=4 896 B13R1.103 CSc1sccc1SCC=C(C)C 62a_100000761012_200010341309 [0,1,0,0,0,1|2,0,0]=4 897 B13R1.103 CSc1sccc1SCC=C(C)C 62a_200010341309_100000761012 [0,1,0,0,0,1|2,0,0]=4 898 B13R1.169 C=C(C)C(=O)NCc1sccc1C 11a_100000238519_100000185857 [0,1,0,0,0,1|0,1,1]=4 899 B13R1.169 C=C(C)C(=O)NCc1sccc1C 1626a_100000238519_100000185857 [0,1,0,0,0,1|0,1,1]=4 900 B13R1.169 CC(=O)C(=O)CSc1sccc1C 62a_100010247149_100011261029 [0,1,0,0,0,1|1,1,0]=4 901 B13R1.169 CC(=O)C(=O)CSc1sccc1C 62a_100011261029_100010247149 [0,1,0,0,0,1|1,1,0]=4 902 B13R1.169 CC(=O)C(C)OCc1occc1C 7a_100011273948_100000179758 [0,1,0,0,0,1|1,0,1]=4 903 B13R1.169 Cc1ccoc1CNC(C)C(C)C 207a_100000211541_100000763527 [0,1,0,0,0,1|0,0,2]=4 904 B13R1.169 Cc1ccoc1CNC(C)C(C)C 270004a_100000211541_100000763527 [0,1,0,0,0,1|0,0,2]=4 905 B13R1.169 Cc1ccsc1CCC(=O)N(C)C 271570a_200010232142_100000742657 [0,1,0,0,0,1|1,1,0]=4 906 B13R1.169 Cc1ccsc1CNC(=O)C(C)C 11a_100000238519_100000210198 [0,1,0,0,0,1|0,1,1]=4 907 B13R1.169 Cc1ccsc1CNC(=O)C(C)C 1626a_100000238519_100000210198 [0,1,0,0,0,1|0,1,1]=4 908 B13R1.169 Cc1ccsc1CNC(=O)C(C)C 240690a_100000238519_100000210198 [0,1,0,0,0,1|0,1,1]=4 909 B13R1.169 Cc1ccsc1CNC(=O)C(C)C 527a_100000238519_100000210198 [0,1,0,0,0,1|0,1,1]=4 910 B13R1.169 Cc1ccsc1CNC(=O)N(C)C 2708a_100000238519_100102631434 [0,1,0,0,0,1|1,1,0]=4 911 B13R1.169 Cc1ccsc1SCC(=O)C(C)C 62a_100000753385_100010247149 [0,1,0,0,0,1|0,1,1]=4 912 B13R1.169 Cc1ccsc1SCC(=O)C(C)C 62a_100010247149_100000753385 [0,1,0,0,0,1|0,1,1]=4 913 B13R1.169 Cc1ccsc1SCC(=O)N(C)C 62a_100000692301_100010247149 [0,1,0,0,0,1|1,1,0]=4 914 B13R1.169 Cc1ccsc1SCC(=O)N(C)C 62a_100010247149_100000692301 [0,1,0,0,0,1|1,1,0]=4 915 B13R1.195 Cc1ccoc1CNCC(C)(C)C 207a_100000743828_100000763527 [0,1,0,0,0,1|0,0,2]=4 916 B13R1.195 Cc1ccoc1CNCC(C)(C)C 270004a_100000743828_100000763527 [0,1,0,0,0,1|0,0,2]=4 917 B13R1.195 Cc1ccoc1CNCC(C)(C)F 207a_100020643315_100000763527 [0,1,0,0,0,1|0,0,2]=4 918 B13R1.195 Cc1ccoc1CNCC(C)(C)F 270004a_100020643315_100000763527 [0,1,0,0,0,1|0,0,2]=4 919 B13R1.195 Cc1ccoc1CNCC(C)(C)O 207a_100000751335_100000763527 [0,1,0,0,0,1|0,0,2]=4 920 B13R1.195 Cc1ccoc1CNCC(C)(C)O 270004a_100000751335_100000763527 [0,1,0,0,0,1|0,0,2]=4 921 B13R1.195 Cc1ccoc1COCC(C)(C)C 34a_100011273948_100011219605 [0,1,0,0,0,1|0,0,2]=4 922 B13R1.195 Cc1ccoc1COCC(C)(C)F 34a_100011273948_100011997219 [0,1,0,0,0,1|0,0,2]=4 923 B13R1.195 Cc1ccoc1COCC(C)(C)O 34a_100011273948_100000764493 [0,1,0,0,0,1|0,0,2]=4 924 B13R1.195 Cc1ccoc1COCC(C)(C)O 7a_100011273948_100000764493 [0,1,0,0,0,1|0,0,2]=4 925 B13R1.195 Cc1ccoc1COC[Si](C)(C)C 7a_100011273948_100000233785 [0,1,0,0,0,1|0,1,1]=4 926 B13R1.195 Cc1ccsc1C/C=C/[Si](C)(C)C 271570a_100160482004_100000742657 [0,1,0,0,0,1|0,2,0]=4 927 B13R1.282 C=C(C)CN(C)Cc1occc1C 2230a_100000734364_100000748629 [0,1,0,0,0,1|0,0,2]=4 928 B13R1.282 C=C(C)CN(C)Cc1occc1C 269982a_100000734364_100000748629 [0,1,0,0,0,1|0,0,2]=4 929 B13R1.282 C=C(C)CN(C)Cc1occc1C 270004a_100000225649_100000763527 [0,1,0,0,0,1|0,0,2]=4 930 B13R1.282 CC(=CC(=O)Cc1nc[nH]c1C)C 1458a_100000211388_100000751220 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.282 CC(=CC(=O)Cc1ncoc1C)C 1458a_100000211388_200000693990 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.282 Cc1ccoc1CN(C)CC(C)C 2230a_100000734364_100000210760 [0,1,0,0,0,1|0,0,2]=4 933 B13R1.282 Cc1ccoc1CN(C)CC(C)C 269982a_100000734364_100000210624 [0,1,0,0,0,1|0,0,2]=4 934 B13R1.282 Cc1ccoc1CN(C)CC(C)C 270004a_100000734364_100000210432 [0,1,0,0,0,1|0,0,2]=4 935 B13R1.282 Cc1ccoc1CN(C)CC(C)C 270004a_100000747067_100000763527 [0,1,0,0,0,1|0,0,2]=4 936 B13R1.599 CCC(=O)COCc1occc1C 7a_100011273948_100000747405 [0,1,0,0,0,1|1,0,1]=4 937 B13R1.599 CCC(C)CNCc1occc1C 207a_100020588543_100000763527 [0,1,0,0,0,1|0,0,2]=4 938 B13R1.599 CCC(C)CNCc1occc1C 270004a_100020588543_100000763527 [0,1,0,0,0,1|0,0,2]=4 939 B13R1.599 CCC(C)COCc1occc1C 34a_100011273948_100000748023 [0,1,0,0,0,1|0,0,2]=4 940 B13R1.599 CCC(C)COCc1occc1C 7a_100011273948_100000748023 [0,1,0,0,0,1|0,0,2]=4 941 B13R1.599 CC[C@H](C)COCc1occc1C 34a_100011273948_100009816398 [0,1,0,0,0,1|0,0,2]=4 942 B13R1.599 CC[C@H](C)COCc1occc1C 7a_100011273948_100009816398 [0,1,0,0,0,1|0,0,2]=4 943 B13R1.599 CNC(=O)CNCc1occc1C 207a_100000693194_100000763527 [0,1,0,0,0,1|1,0,1]=4 944 B13R1.599 CNC(=O)CNCc1occc1C 270004a_100000693194_100000763527 [0,1,0,0,0,1|1,0,1]=4 945 B13R1.599 CNC(=O)COCc1occc1C 34a_100011273948_100000183359 [0,1,0,0,0,1|1,0,1]=4 946 B13R1.599 CNC(=O)COCc1occc1C 7a_100011273948_100000183359 [0,1,0,0,0,1|1,0,1]=4 947 B13R1.599 COC(=O)COCc1occc1C 34a_100011273948_100000747449 [0,1,0,0,0,1|1,0,1]=4 948 B13R1.599 COC(=O)COCc1occc1C 7a_100011273948_100000747449 [0,1,0,0,0,1|1,0,1]=4 949 B13R1.599 CO[C@H](C)CNCc1occc1C 207a_100020591295_100000763527 [0,1,0,0,0,1|0,0,2]=4 950 B13R1.599 CO[C@H](C)CNCc1occc1C 270004a_100020591295_100000763527 [0,1,0,0,0,1|0,0,2]=4 951 B13R1.599 Cc1ccoc1CNCC(C)CO 207a_100000744482_100000763527 [0,1,0,0,0,1|0,0,2]=4 952 B13R1.599 Cc1ccoc1COC[C@@H](C)CO 34a_100011273948_100000059175 [0,1,0,0,0,1|0,0,2]=4 953 B13R1.599 Cc1ccoc1COC[C@@H](C)CO 7a_100011273948_100000059175 [0,1,0,0,0,1|0,0,2]=4 954 B13R1.3485 CC(=CCSc1cc(sc1C)C)C 62a_100000688054_100000761012 [0,1,0,0,0,1|2,0,0]=4 955 B13R1.3485 CC(=CCSc1cc(sc1C)C)C 62a_100000761012_100000688054 [0,1,0,0,0,1|2,0,0]=4 956 B13R1.3485 CC(=CCSc1nc([nH]c1C)C)C 62a_100000761012_200009820778 [0,1,0,0,0,1|2,0,0]=4 957 B13R1.3485 CC(=CCSc1nc([nH]c1C)C)C 62a_200009820778_100000761012 [0,1,0,0,0,1|2,0,0]=4 958 B13R1.3485 CC(=CCSc1nc(cn1C)C)C 62a_100000761012_100009816808 [0,1,0,0,0,1|2,0,0]=4 959 B13R1.3485 CC(=CCSc1nc(cn1C)C)C 62a_100009816808_100000761012 [0,1,0,0,0,1|2,0,0]=4 960 B13R1.3485 CC(=CCSc1nc(sc1C)C)C 62a_100000761012_100010270876 [0,1,0,0,0,1|2,0,0]=4 961 B13R1.3485 CC(=CCSc1nc(sc1C)C)C 62a_100010270876_100000761012 [0,1,0,0,0,1|2,0,0]=4 962 B13R1.3485 CC(=CCSc1nc(sc1C)N)C 62a_100000761012_100009817509 [0,1,0,0,0,1|2,0,0]=4 963 B13R1.3485 CC(=CCSc1nc(sc1C)N)C 62a_100009817509_100000761012 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.3485 CC(=CCSc1nn(cc1C)C)C 62a_100000761012_100011072604 [0,1,0,0,0,1|2,0,0]=4 965 B13R1.3485 CC(=CCSc1nn(cc1C)C)C 62a_100011072604_100000761012 [0,1,0,0,0,1|2,0,0]=4 966 B13R1.3485 CC(=CCSc1sc(cc1C)C)C 62a_100000689295_100000761012 [0,1,0,0,0,1|0,1,0]=3 967 B13R1.3485 CC(=CCSc1sc(cc1C)C)C 62a_100000761012_100000689295 [0,1,0,0,0,1|0,1,0]=3 968 B13R1.3485 CC(=CCSc1sc(nc1C)C)C 62a_100000761012_100009814099 [0,1,0,0,0,1|1,1,0]=4 969 B13R1.3485 CC(=CCSc1sc(nc1C)C)C 62a_100009814099_100000761012 [0,1,0,0,0,1|1,1,0]=4 970 B13R1.3485 CC(=CCSc1sc(nc1C)N)C 62a_100000761012_100159269596 [0,1,0,0,0,1|1,1,0]=4 971 B13R1.3485 CC(=CCSc1sc(nc1C)N)C 62a_100159269596_100000761012 [0,1,0,0,0,1|1,1,0]=4 972 B13R1.7544 CC(=CCSc1csc(c1C)C)C 62a_100000761012_100009820295 [0,1,0,0,0,1|2,0,0]=4 973 B13R1.7544 CC(=CCSc1csc(c1C)C)C 62a_100009820295_100000761012 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.7544 CC(=CCSc1n[nH]c(c1C)C)C 62a_100000761012_100015309786 [0,1,0,0,0,1|2,0,0]=4 975 B13R1.7544 CC(=CCSc1n[nH]c(c1C)C)C 62a_100015309786_100000761012 [0,1,0,0,0,1|2,0,0]=4 976 B13R1.7544 CC(=CCSc1ncc(n1C)C)C 62a_100000761012_100009816807 [0,1,0,0,0,1|2,0,0]=4 977 B13R1.7544 CC(=CCSc1ncc(n1C)C)C 62a_100009816807_100000761012 [0,1,0,0,0,1|2,0,0]=4 978 B13R1.148 C=C(C)C(=O)Cc1cc(ccn1)C 1458a_100000185857_100000718516 [0,1,0,0,0,1|1,0,1]=4 979 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)C 1458a_100000185857_100000211840 [0,1,0,0,0,1|1,0,1]=4 980 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)C 1458a_100000185857_100000757606 [0,1,0,0,0,1|1,0,1]=4 981 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100000210198_100000211840 [0,1,0,0,0,1|1,0,1]=4 982 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100011206899_100000210206 [0,1,0,0,0,1|1,0,1]=4 983 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 11a_100102631434_100011206899 [0,1,0,0,0,1|2,0,0]=4 984 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 1626a_100102631434_100011206899 [0,1,0,0,0,1|2,0,0]=4 985 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 240690a_100102631434_100011206899 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 527a_100102631434_100011206899 [0,1,0,0,0,1|2,0,0]=4 987 B13R1.148 Cc1cccc(n1)CC(=O)C(C)C 1458a_100000210198_100000757606 [0,1,0,0,0,1|1,0,1]=4 988 B13R1.148 Cc1cccc(n1)CC(=O)C(C)C 1458a_100012001110_100000210206 [0,1,0,0,0,1|1,0,1]=4 989 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 11a_100102631434_100012001110 [0,1,0,0,0,1|2,0,0]=4 990 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 1626a_100102631434_100012001110 [0,1,0,0,0,1|2,0,0]=4 991 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 240690a_100102631434_100012001110 [0,1,0,0,0,1|2,0,0]=4 992 B13R1.148 Cc1cccc(n1)CC(=O)N(C)C 527a_100102631434_100012001110 [0,1,0,0,0,1|2,0,0]=4 993 B13R1.148 Cc1ccnc(c1)CC(=O)C(C)C 1458a_100000210198_100000718516 [0,1,0,0,0,1|1,0,1]=4 994 B13R1.100 COc1ccoc1CNC(C)(C)C 207a_100000715429_200009856553 [0,2,0,0,0,0|1,0,1]=4 995 B13R1.613 CCC(C)NCc1occc1OC 207a_100000209981_200009856553 [0,2,0,0,0,0|1,0,1]=4 996 B13R1.613 CCC(C)NCc1occc1OC 270004a_100000209981_200009856553 [0,2,0,0,0,0|1,0,1]=4 997 B13R1.613 COc1ccoc1CN[C@H](C)CF 207a_100102880703_200009856553 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.613 COc1ccoc1CN[C@H](C)CF 270004a_100102880703_200009856553 [0,2,0,0,0,0|1,0,1]=4 999 B13R1.613 COc1ccoc1CN[C@H](C)CO 207a_100000737577_200009856553 [0,2,0,0,0,0|1,0,1]=4 1000 B13R1.613 COc1ccoc1CN[C@H](C)CO 270004a_100000737577_200009856553 [0,2,0,0,0,0|1,0,1]=4 1001 B13R1.2801 COc1ccoc1CN(C)C(C)C 270004a_200000211004_200009856553 [0,2,0,0,0,0|1,0,1]=4 1002 B13R1.256 C#CC(C)(C)NCc1occc1C 270004a_100000054563_100000763527 [0,2,0,0,0,0|1,0,1]=4 1003 B13R1.256 C#CC(C)(C)OCc1occc1C 34a_100011273948_100000038118 [0,2,0,0,0,0|1,0,1]=4 1004 B13R1.256 CCC(C)(C)NCc1occc1C 207a_100000211385_100000763527 [0,2,0,0,0,0|1,0,1]=4 1005 B13R1.256 CCC(C)(C)NCc1occc1C 270004a_100000211385_100000763527 [0,2,0,0,0,0|1,0,1]=4 1006 B13R1.256 CCC(C)(C)OCc1occc1C 7a_100011273948_100000210677 [0,2,0,0,0,0|1,0,1]=4 1007 B13R1.256 Cc1ccoc1CNC(C)(C)CO 207a_100000210608_100000763527 [0,2,0,0,0,0|1,0,1]=4 1008 B13R1.256 Cc1ccoc1CNC(C)(C)CO 270004a_100000210608_100000763527 [0,2,0,0,0,0|1,0,1]=4 1009 B13R1.256 Cc1ccoc1COC(C)(C)C#N 34a_100011273948_100011162410 [0,2,0,0,0,0|1,0,1]=4 1010 B13R1.256 Cc1ccoc1COC(C)(C)C#N 7a_100011273948_100011162410 [0,2,0,0,0,0|1,0,1]=4 1011 B13R1.771 Cc1ccoc1CN(C)C(C)(C)C 269982a_100000734364_100000210625 [0,2,0,0,0,0|1,0,1]=4 1012 B13R1.771 Cc1ccoc1CN(C)C(C)(C)C 270004a_100011215553_100000763527 [0,2,0,0,0,0|1,0,1]=4 1013 B13R1.421 CCN(Cc1occc1C)C(C)C 270004a_100000223864_100000763527 [0,2,0,0,0,0|1,0,1]=4 1014 B13R1.704 C/C=C(\C)/C(=O)Cc1nc[nH]c1C 1458a_100020587367_100000751220 [0,2,0,0,0,0|2,0,0]=4 1015 B13R1.704 C/C=C(\C)/C(=O)Cc1ncoc1C 1458a_100020587367_200000693990 [0,2,0,0,0,0|2,0,0]=4 1016 B13R1.704 CCC(=O)N(C)Cc1occc1C 11a_100000734364_100000210414 [0,2,0,0,0,0|2,0,0]=4 1017 B13R1.704 CCC(=O)N(C)Cc1occc1C 1626a_100000734364_100000210414 [0,2,0,0,0,0|2,0,0]=4 1018 B13R1.704 CCC(=O)N(C)Cc1occc1C 240690a_100000734364_100000210414 [0,2,0,0,0,0|2,0,0]=4 1019 B13R1.704 CCC(=O)N(C)Cc1occc1C 527a_100000734364_100000210414 [0,2,0,0,0,0|2,0,0]=4 1020 B13R1.704 CCC(C)N(C)Cc1occc1C 2230a_100000734364_100000758301 [0,2,0,0,0,0|1,0,1]=4 1021 B13R1.704 CCC(C)N(C)Cc1occc1C 269982a_100000734364_100000758301 [0,2,0,0,0,0|1,0,1]=4 1022 B13R1.704 CCC(C)N(C)Cc1occc1C 270004a_100000741768_100000763527 [0,2,0,0,0,0|1,0,1]=4 1023 B13R1.704 CNC(=O)N(C)Cc1occc1C 2708a_100102657272_100000734364 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.704 COC(C)N(C)Cc1occc1C 269982a_100000734364_100009879195 [0,2,0,0,0,0|1,0,1]=4 1025 B13R1.704 Cc1ccoc1CN(C)C(=O)CO 240690a_100000734364_100000210174 [0,2,0,0,0,0|2,0,0]=4 1026 B13R1.704 Cc1ccoc1CN(C)C(=O)CO 527a_100000734364_100000210174 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.704 Cc1ccoc1CN(C)C(C)CO 2230a_100000734364_100012180447 [0,2,0,0,0,0|1,0,1]=4 1028 B13R1.704 Cc1ccoc1CN(C)C(C)CO 270004a_100000693034_100000763527 [0,2,0,0,0,0|1,0,1]=4 1029 B13R1.704 Cc1ccoc1CN(C)[C@H](C)CO 269982a_100000734364_100016084084 [0,2,0,0,0,0|1,0,1]=4 1030 B13R1.3481 C=C(C)C(=O)Cc1oc(=O)oc1C 1458a_100000185857_100000068490 [0,2,0,0,0,0|1,0,1]=4 1031 B13R1.3481 Cc1oc(=O)oc1CC(=O)C(C)C 1458a_100000210198_100000068490 [0,2,0,0,0,0|1,0,1]=4 1032 B13R1.316 CCC(CC)NCc1occc1C 207a_100000199018_100000763527 [0,2,0,0,0,0|1,0,1]=4 1033 B13R1.316 CCC(CC)NCc1occc1C 270004a_100000199018_100000763527 [0,2,0,0,0,0|1,0,1]=4 1034 B13R1.316 CCC(CC)OCc1occc1C 7a_100011273948_100000210505 [0,2,0,0,0,0|1,0,1]=4 1035 B13R1.316 CC[C@@H](CO)NCc1occc1C 207a_100000709445_100000763527 [0,2,0,0,0,0|1,0,1]=4 1036 B13R1.316 CC[C@@H](CO)NCc1occc1C 270004a_100000709445_100000763527 [0,2,0,0,0,0|1,0,1]=4 1037 B13R1.316 Cc1ccoc1CNC(CO)CO 207a_100000759517_100000763527 [0,2,0,0,0,0|1,0,1]=4 1038 B13R1.444 CCCC(C)NCc1occc1C 207a_100000741246_100000763527 [0,2,0,0,0,0|1,0,1]=4 1039 B13R1.444 CCCC(C)NCc1occc1C 270004a_100000741246_100000763527 [0,2,0,0,0,0|1,0,1]=4 1040 B13R1.444 CCCC(C)OCc1occc1C 34a_100011273948_100000766640 [0,2,0,0,0,0|1,0,1]=4 1041 B13R1.444 CCCC(C)OCc1occc1C 7a_100011273948_100000766640 [0,2,0,0,0,0|1,0,1]=4 1042 B13R1.444 COCC(C)OCc1occc1C 34a_100011273948_100000765312 [0,2,0,0,0,0|1,0,1]=4 1043 B13R1.444 COCC(C)OCc1occc1C 7a_100011273948_100000765312 [0,2,0,0,0,0|1,0,1]=4 1044 B13R1.444 COC[C@@H](C)NCc1occc1C 207a_100000764878_100000763527 [0,2,0,0,0,0|1,0,1]=4 1045 B13R1.444 COC[C@@H](C)NCc1occc1C 270004a_100000764878_100000763527 [0,2,0,0,0,0|1,0,1]=4 1046 B13R1.444 Cc1ccoc1CN[C@@H](C)CC#N 207a_100016994482_100000763527 [0,2,0,0,0,0|1,0,1]=4 1047 B13R1.444 Cc1ccoc1CN[C@H](C)CCO 207a_100000706166_100000763527 [0,2,0,0,0,0|1,0,1]=4 1048 B13R1.444 Cc1ccoc1CN[C@H](C)CCO 270004a_100000706166_100000763527 [0,2,0,0,0,0|1,0,1]=4 1049 B13R1.444 Cc1ccoc1COC(C)CC#N 7a_100011273948_100009813641 [0,2,0,0,0,0|1,0,1]=4 1050 B13R1.444 Cc1ccoc1COC(C)CCO 34a_100011273948_100009893172 [0,2,0,0,0,0|1,0,1]=4 1051 B13R1.444 Cc1ccoc1COC(C)CCO 7a_100011273948_100009893172 [0,2,0,0,0,0|1,0,1]=4 1052 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,0,1,1,0,0|1,0,1]=4 1053 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,1,1,0,0|1,0,1]=4 1054 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,0,1,1,0,0|0,0,2]=4 1055 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,0,1,1,0,0|1,0,1]=4 1056 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,1,1,0,0|1,0,1]=4 1057 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,1,1,0,0|1,0,1]=4 1058 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,1,1,0,0|1,0,1]=4 1059 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [0,0,1,1,0,0|1,0,1]=4 1060 B11R1.172 CC(=CCSc1ccoc1)C 62a_100000761012_100011215275 [0,0,1,1,0,0|1,0,1]=4 1061 B11R1.172 CC(=CCSc1ccoc1)C 62a_100011215275_100000761012 [0,0,1,1,0,0|1,0,1]=4 1062 B11R1.172 CC(=CCSc1ccon1)C 62a_100000761012_100009818083 [0,0,1,1,0,0|2,0,0]=4 1063 B11R1.172 CC(=CCSc1ccon1)C 62a_100009818083_100000761012 [0,0,1,1,0,0|2,0,0]=4 1064 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,1,1,0,0|1,0,1]=4 1065 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,0,1,1,0,0|1,0,1]=4 1066 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,0,1,1,0,0|0,0,2]=4 1067 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,0,1,1,0,0|1,0,1]=4 1068 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,0,1,1,0,0|1,0,1]=4 1069 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,0,1,1,0,0|1,0,1]=4 1070 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [1,0,0,1,0,0|0,0,2]=4 1071 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [1,0,0,1,0,0|1,0,1]=4 1072 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [1,0,0,1,0,0|1,0,1]=4 1073 B13R2.361 Cc1ccoc1CN2CC(C2)C 270004a_100000702820_100000763527 [0,0,0,1,0,1|0,0,2]=4 1074 B13R2.3140 Cc1ccoc1CNCC2CC2 207a_100000735609_100000763527 [0,0,0,1,0,1|0,0,2]=4 1075 B13R2.3140 Cc1ccoc1CNCC2CC2 270004a_100000735609_100000763527 [0,0,0,1,0,1|0,0,2]=4 1076 B13R2.3140 Cc1ccoc1COCC2CC2 34a_100011273948_100000742324 [0,0,0,1,0,1|0,0,2]=4 1077 B13R2.3140 Cc1ccoc1COCC2CC2 7a_100011273948_100000742324 [0,0,0,1,0,1|0,0,2]=4 1078 B13R2.362 Cc1ccoc1CNC2(CC2)C 207a_100000757604_100000763527 [0,1,0,1,0,0|1,0,1]=4 1079 B13R2.3139 Cc1ccoc1CN(C)C2CC2 269982a_100000734364_100000211595 [0,1,0,1,0,0|1,0,1]=4 1080 B13R2.3139 Cc1ccoc1CN(C)C2CC2 270004a_100000226674_100000763527 [0,1,0,1,0,0|1,0,1]=4 1081 B13R2.3152 Cc1ccoc1CNC2COC2 207a_100016991112_100000763527 [0,1,0,1,0,0|1,0,1]=4 1082 B13R2.3152 Cc1ccoc1CNC2COC2 270004a_100016991112_100000763527 [0,1,0,1,0,0|1,0,1]=4 1083 B13R2.3152 Cc1ccoc1CNC2CSC2 207a_100016994217_100000763527 [0,1,0,1,0,0|1,0,1]=4 1084 B13R2.3152 Cc1ccoc1CNC2CSC2 270004a_100016994217_100000763527 [0,1,0,1,0,0|1,0,1]=4 1085 B13R2.3152 Cc1ccoc1COC2CCC2 34a_100011273948_100000749161 [0,1,0,1,0,0|1,0,1]=4 1086 B13R2.3152 Cc1ccoc1COC2COC2 34a_100011273948_100009818527 [0,1,0,1,0,0|1,0,1]=4 1087 B13R2.3152 Cc1ccoc1COC2COC2 7a_100011273948_100009818527 [0,1,0,1,0,0|1,0,1]=4 1088 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [1,0,0,0,1,0|2,0,0]=4 1089 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [1,0,0,0,1,0|2,0,0]=4 1090 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,0,0,0,1,0|0,0,0]=2 1091 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,0,0,0,1,0|0,1,0]=3 1092 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [1,0,0,0,1,0|2,0,0]=4 1093 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [1,0,0,0,1,0|2,0,0]=4 1094 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [1,0,0,0,1,0|2,0,0]=4 1095 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [1,0,0,0,1,0|1,0,0]=3 1096 B9R1.13 CC(=Cc1cncs1)C 271570a_100102525489_100011934649 [1,0,0,0,1,0|1,1,0]=4 1097 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [1,0,0,0,1,0|2,0,0]=4 1098 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [1,0,0,0,1,0|2,0,0]=4 1099 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [1,0,0,0,1,0|1,0,0]=3 1100 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [1,0,0,0,1,0|1,1,0]=4 1101 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,1,0|2,0,0]=4 1102 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,1,0|1,0,0]=3 1103 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,1,0|1,1,0]=4 1104 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,0,0,0,1,0|2,0,0]=4 1105 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,0,0,0,1,0|1,0,1]=4 1106 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,0,0,0,1,0|1,0,1]=4 1107 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,0,0,0,1,0|1,0,0]=3 1108 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,0,0,0,1,0|1,0,0]=3 1109 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,0,0,0,1,0|1,0,0]=3 1110 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [1,0,0,0,1,0|1,1,0]=4 1111 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [1,0,0,0,1,0|1,1,0]=4 1112 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [1,0,0,0,1,0|1,1,0]=4 1113 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [1,0,0,0,1,0|2,0,0]=4 1114 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [1,0,0,0,1,0|2,0,0]=4 1115 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [1,0,0,0,1,0|2,0,0]=4 1116 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [1,0,0,0,1,0|2,0,0]=4 1117 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,0,0,0,1,0|1,0,0]=3 1118 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,0,0,0,1,0|1,0,0]=3 1119 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [1,0,0,0,1,0|1,1,0]=4 1120 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [1,0,0,0,1,0|1,1,0]=4 1121 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,1,0|2,0,0]=4 1122 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,1,0|1,0,0]=3 1123 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,1,0|1,1,0]=4 1124 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,0,0,0,2,0|0,1,1]=4 1125 B11R0.93 C=CC(C)CC(=O)CC=C(C)C 1458a_100011934298_100000761012 [0,0,1,0,0,1|0,0,2]=4 1126 B13R1.158 CC(=CCNc1ccccc1Br)C 34a_100000210017_100000761012 [0,0,0,0,0,2|2,0,0]=4 1127 B13R1.158 CC(=CCNc1ccccc1C)C 34a_100015192222_100000761012 [0,0,0,0,0,2|1,0,0]=3 1128 B13R1.158 CC(=CCNc1ccccc1Cl)C 34a_100000185783_100000761012 [0,0,0,0,0,2|2,0,0]=4 1129 B13R1.158 CC(=CCNc1ccccc1F)C 34a_100000210422_100000761012 [0,0,0,0,0,2|2,0,0]=4 1130 B13R1.158 CC(=CCNc1ccccc1I)C 34a_100000210053_100000761012 [0,0,0,0,0,2|2,0,0]=4 1131 B13R1.158 CC(=CCNc1ccccc1O)C 34a_100000185747_100000761012 [0,0,0,0,0,2|2,0,0]=4 1132 B13R1.158 CC(=CCNc1ccncc1Br)C 27a_100000718196_100000726257 [0,0,0,0,0,2|2,0,0]=4 1133 B13R1.158 CC(=CCNc1ccncc1C)C 27a_100000718196_100000765111 [0,0,0,0,0,2|1,0,0]=3 1134 B13R1.158 CC(=CCNc1ccncc1F)C 27a_100000718196_100000035921 [0,0,0,0,0,2|2,0,0]=4 1135 B13R1.158 CC(=CCNc1ncccc1Br)C 27a_100000718196_100000696092 [0,0,0,0,0,2|2,0,0]=4 1136 B13R1.158 CC(=CCNc1nccnc1C)C 27a_100000718196_100011999405 [0,0,0,0,0,2|1,0,0]=3 1137 B13R1.158 CC(=CCNc1nccnc1F)C 27a_100000718196_200010125657 [0,0,0,0,0,2|2,0,0]=4 1138 B13R1.158 CC(=CCNc1ncncc1C)C 27a_100000718196_100011998708 [0,0,0,0,0,2|1,0,0]=3 1139 B13R1.158 CC(=CCNc1ncncc1F)C 27a_100000718196_100000069762 [0,0,0,0,0,2|2,0,0]=4 1140 B13R1.158 CC(=CCNc1ncncc1N)C 27a_100000718196_100000709731 [0,0,0,0,0,2|2,0,0]=4 1141 B13R1.158 CC(=CCNc1nnccc1C)C 27a_100000718196_100000089043 [0,0,0,0,0,2|1,0,0]=3 1142 B13R1.158 CC(=CCOc1ccccc1Br)C 34a_100000181306_100000761012 [0,0,0,0,0,2|2,0,0]=4 1143 B13R1.158 CC(=CCOc1ccccc1Br)C 7a_100000181306_100000761012 [0,0,0,0,0,2|2,0,0]=4 1144 B13R1.158 CC(=CCOc1ccccc1C)C 34a_100000210338_100000761012 [0,0,0,0,0,2|1,0,0]=3 1145 B13R1.158 CC(=CCOc1ccccc1C)C 7a_100000210338_100000761012 [0,0,0,0,0,2|1,0,0]=3 1146 B13R1.158 CC(=CCOc1ccccc1Cl)C 34a_100000210172_100000761012 [0,0,0,0,0,2|2,0,0]=4 1147 B13R1.158 CC(=CCOc1ccccc1Cl)C 7a_100000210172_100000761012 [0,0,0,0,0,2|2,0,0]=4 1148 B13R1.158 CC(=CCOc1ccccc1F)C 34a_100000210171_100000761012 [0,0,0,0,0,2|2,0,0]=4 1149 B13R1.158 CC(=CCOc1ccccc1F)C 7a_100000210171_100000761012 [0,0,0,0,0,2|2,0,0]=4 1150 B13R1.158 CC(=CCOc1ccccc1I)C 34a_100000739446_100000761012 [0,0,0,0,0,2|2,0,0]=4 1151 B13R1.158 CC(=CCOc1ccccc1I)C 7a_100000739446_100000761012 [0,0,0,0,0,2|2,0,0]=4 1152 B13R1.158 CC(=CCOc1ccccc1N)C 34a_100000185747_100000761012 [0,0,0,0,0,2|2,0,0]=4 1153 B13R1.158 CC(=CCOc1ccccc1N)C 7a_100000185747_100000761012 [0,0,0,0,0,2|2,0,0]=4 1154 B13R1.158 CC(=CCOc1cccnc1Br)C 34a_100000744436_100000761012 [0,0,0,0,0,2|2,0,0]=4 1155 B13R1.158 CC(=CCOc1cccnc1Br)C 7a_100000744436_100000761012 [0,0,0,0,0,2|2,0,0]=4 1156 B13R1.158 CC(=CCOc1cccnc1C)C 34a_100000745507_100000761012 [0,0,0,0,0,2|1,0,0]=3 1157 B13R1.158 CC(=CCOc1cccnc1C)C 7a_100000745507_100000761012 [0,0,0,0,0,2|1,0,0]=3 1158 B13R1.158 CC(=CCOc1cccnc1Cl)C 34a_100000757616_100000761012 [0,0,0,0,0,2|2,0,0]=4 1159 B13R1.158 CC(=CCOc1cccnc1Cl)C 7a_100000757616_100000761012 [0,0,0,0,0,2|2,0,0]=4 1160 B13R1.158 CC(=CCOc1cccnc1F)C 34a_100000061740_100000761012 [0,0,0,0,0,2|2,0,0]=4 1161 B13R1.158 CC(=CCOc1cccnc1F)C 7a_100000061740_100000761012 [0,0,0,0,0,2|2,0,0]=4 1162 B13R1.158 CC(=CCOc1cccnc1I)C 34a_100000034122_100000761012 [0,0,0,0,0,2|2,0,0]=4 1163 B13R1.158 CC(=CCOc1cccnc1I)C 7a_100000034122_100000761012 [0,0,0,0,0,2|2,0,0]=4 1164 B13R1.158 CC(=CCOc1cccnc1N)C 34a_100000211975_100000761012 [0,0,0,0,0,2|2,0,0]=4 1165 B13R1.158 CC(=CCOc1cccnc1N)C 7a_100000211975_100000761012 [0,0,0,0,0,2|2,0,0]=4 1166 B13R1.158 CC(=CCOc1cccoc1=O)C 34a_100000077404_100000761012 [0,0,0,0,0,2|2,0,0]=4 1167 B13R1.158 CC(=CCOc1cccoc1=O)C 7a_100000077404_100000761012 [0,0,0,0,0,2|2,0,0]=4 1168 B13R1.158 CC(=CCOc1ccncc1Br)C 34a_100011996408_100000761012 [0,0,0,0,0,2|2,0,0]=4 1169 B13R1.158 CC(=CCOc1ccncc1C)C 34a_100000694293_100000761012 [0,0,0,0,0,2|1,0,0]=3 1170 B13R1.158 CC(=CCOc1ccncc1Cl)C 34a_100011997054_100000761012 [0,0,0,0,0,2|2,0,0]=4 1171 B13R1.158 CC(=CCOc1ccncc1F)C 34a_200000081243_100000761012 [0,0,0,0,0,2|2,0,0]=4 1172 B13R1.158 CC(=CCOc1cnccc1C)C 34a_100011997053_100000761012 [0,0,0,0,0,2|1,0,0]=3 1173 B13R1.158 CC(=CCOc1cnccc1C)C 7a_100011997053_100000761012 [0,0,0,0,0,2|1,0,0]=3 1174 B13R1.158 CC(=CCOc1cnccc1Cl)C 34a_100011996695_100000761012 [0,0,0,0,0,2|2,0,0]=4 1175 B13R1.158 CC(=CCOc1cnccc1I)C 34a_100000050107_100000761012 [0,0,0,0,0,2|2,0,0]=4 1176 B13R1.158 CC(=CCOc1cnccc1N)C 34a_100000753702_100000761012 [0,0,0,0,0,2|2,0,0]=4 1177 B13R1.158 CC(=CCOc1coccc1=O)C 34a_100000060831_100000761012 [0,0,0,0,0,2|1,0,0]=3 1178 B13R1.158 CC(=CCOc1ncccc1Cl)C 34a_100011290957_100000761012 [0,0,0,0,0,2|2,0,0]=4 1179 B13R1.158 CC(=CCOc1ncccc1F)C 34a_100011219419_100000761012 [0,0,0,0,0,2|2,0,0]=4 1180 B13R1.158 CC(=CCOc1ncccc1N)C 34a_100000746358_100000761012 [0,0,0,0,0,2|2,0,0]=4 1181 B13R1.158 CC(=CCOc1nccnc1C)C 34a_100000766352_100000761012 [0,0,0,0,0,2|1,0,0]=3 1182 B13R1.158 CC(=CCSc1c[nH]ccc1=O)C 62a_100000761012_100009998708 [0,0,0,0,0,2|2,0,0]=4 1183 B13R1.158 CC(=CCSc1c[nH]ccc1=O)C 62a_100009998708_100000761012 [0,0,0,0,0,2|2,0,0]=4 1184 B13R1.158 CC(=CCSc1c[nH]ccc1=S)C 62a_100000761012_200012280681 [0,0,0,0,0,2|2,0,0]=4 1185 B13R1.158 CC(=CCSc1c[nH]ccc1=S)C 62a_200012280681_100000761012 [0,0,0,0,0,2|2,0,0]=4 1186 B13R1.158 CC(=CCSc1cccc[n+]1C)C 62a_100000761012_100000212160 [0,0,0,0,0,2|2,0,0]=4 1187 B13R1.158 CC(=CCSc1ccccc1Br)C 62a_100000695589_100000761012 [0,0,0,0,0,2|2,0,0]=4 1188 B13R1.158 CC(=CCSc1ccccc1Br)C 62a_100000761012_100000695589 [0,0,0,0,0,2|2,0,0]=4 1189 B13R1.158 CC(=CCSc1ccccc1C)C 62a_100000210755_100000761012 [0,0,0,0,0,2|1,0,0]=3 1190 B13R1.158 CC(=CCSc1ccccc1C)C 62a_100000761012_100000210755 [0,0,0,0,0,2|1,0,0]=3 1191 B13R1.158 CC(=CCSc1ccccc1Cl)C 62a_100000761012_100000764095 [0,0,0,0,0,2|2,0,0]=4 1192 B13R1.158 CC(=CCSc1ccccc1Cl)C 62a_100000764095_100000761012 [0,0,0,0,0,2|2,0,0]=4 1193 B13R1.158 CC(=CCSc1ccccc1F)C 62a_100000761012_100011215700 [0,0,0,0,0,2|2,0,0]=4 1194 B13R1.158 CC(=CCSc1ccccc1F)C 62a_100011215700_100000761012 [0,0,0,0,0,2|2,0,0]=4 1195 B13R1.158 CC(=CCSc1ccccc1N)C 62a_100000210017_100000761012 [0,0,0,0,0,2|2,0,0]=4 1196 B13R1.158 CC(=CCSc1ccccc1N)C 62a_100000761012_100000210017 [0,0,0,0,0,2|2,0,0]=4 1197 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000739446_100000761012 [0,0,0,0,0,2|2,0,0]=4 1198 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000761012_100000739446 [0,0,0,0,0,2|2,0,0]=4 1199 B13R1.158 CC(=CCSc1cccnc1Br)C 62a_100000761012_100010202626 [0,0,0,0,0,2|2,0,0]=4 1200 B13R1.158 CC(=CCSc1cccnc1Br)C 62a_100010202626_100000761012 [0,0,0,0,0,2|2,0,0]=4 1201 B13R1.158 CC(=CCSc1cccnc1C)C 62a_100000751574_100000761012 [0,0,0,0,0,2|1,0,0]=3 1202 B13R1.158 CC(=CCSc1cccnc1C)C 62a_100000761012_100000751574 [0,0,0,0,0,2|1,0,0]=3 1203 B13R1.158 CC(=CCSc1cccnc1Cl)C 62a_100000036424_100000761012 [0,0,0,0,0,2|2,0,0]=4 1204 B13R1.158 CC(=CCSc1cccnc1Cl)C 62a_100000761012_100000036424 [0,0,0,0,0,2|2,0,0]=4 1205 B13R1.158 CC(=CCSc1cccnc1F)C 62a_100000761012_100009816115 [0,0,0,0,0,2|2,0,0]=4 1206 B13R1.158 CC(=CCSc1cccnc1F)C 62a_100009816115_100000761012 [0,0,0,0,0,2|2,0,0]=4 1207 B13R1.158 CC(=CCSc1cccnc1N)C 62a_100000045569_100000761012 [0,0,0,0,0,2|2,0,0]=4 1208 B13R1.158 CC(=CCSc1cccnc1N)C 62a_100000761012_100000045569 [0,0,0,0,0,2|2,0,0]=4 1209 B13R1.158 CC(=CCSc1cccnc1O)C 62a_100000760158_100000761012 [0,0,0,0,0,2|2,0,0]=4 1210 B13R1.158 CC(=CCSc1cccnc1O)C 62a_100000761012_100000760158 [0,0,0,0,0,2|2,0,0]=4 1211 B13R1.158 CC(=CCSc1ccncc1Br)C 62a_100000726257_100000761012 [0,0,0,0,0,2|2,0,0]=4 1212 B13R1.158 CC(=CCSc1ccncc1Br)C 62a_100000761012_100000726257 [0,0,0,0,0,2|2,0,0]=4 1213 B13R1.158 CC(=CCSc1ccncc1C)C 62a_100000761012_100000765111 [0,0,0,0,0,2|1,0,0]=3 1214 B13R1.158 CC(=CCSc1ccncc1C)C 62a_100000765111_100000761012 [0,0,0,0,0,2|1,0,0]=3 1215 B13R1.158 CC(=CCSc1ccncc1Cl)C 62a_100000708259_100000761012 [0,0,0,0,0,2|2,0,0]=4 1216 B13R1.158 CC(=CCSc1ccncc1Cl)C 62a_100000761012_100000708259 [0,0,0,0,0,2|2,0,0]=4 1217 B13R1.158 CC(=CCSc1ccncc1F)C 62a_100000047030_100000761012 [0,0,0,0,0,2|2,0,0]=4 1218 B13R1.158 CC(=CCSc1ccncc1F)C 62a_100000761012_100000047030 [0,0,0,0,0,2|2,0,0]=4 1219 B13R1.158 CC(=CCSc1ccncc1N)C 62a_100000756074_100000761012 [0,0,0,0,0,2|2,0,0]=4 1220 B13R1.158 CC(=CCSc1ccncc1N)C 62a_100000761012_100000756074 [0,0,0,0,0,2|2,0,0]=4 1221 B13R1.158 CC(=CCSc1ccncc1O)C 62a_100000761012_100009817591 [0,0,0,0,0,2|2,0,0]=4 1222 B13R1.158 CC(=CCSc1ccncc1O)C 62a_100009817591_100000761012 [0,0,0,0,0,2|2,0,0]=4 1223 B13R1.158 CC(=CCSc1cnccc1Br)C 62a_100000761012_100010138639 [0,0,0,0,0,2|2,0,0]=4 1224 B13R1.158 CC(=CCSc1cnccc1Br)C 62a_100010138639_100000761012 [0,0,0,0,0,2|2,0,0]=4 1225 B13R1.158 CC(=CCSc1cnccc1C)C 62a_100000761012_100000761580 [0,0,0,0,0,2|1,0,0]=3 1226 B13R1.158 CC(=CCSc1cnccc1C)C 62a_100000761580_100000761012 [0,0,0,0,0,2|1,0,0]=3 1227 B13R1.158 CC(=CCSc1cnccc1Cl)C 62a_100000761012_100009995489 [0,0,0,0,0,2|2,0,0]=4 1228 B13R1.158 CC(=CCSc1cnccc1Cl)C 62a_100009995489_100000761012 [0,0,0,0,0,2|2,0,0]=4 1229 B13R1.158 CC(=CCSc1cnccc1F)C 62a_100000761012_100009820683 [0,0,0,0,0,2|2,0,0]=4 1230 B13R1.158 CC(=CCSc1cnccc1F)C 62a_100009820683_100000761012 [0,0,0,0,0,2|2,0,0]=4 1231 B13R1.158 CC(=CCSc1cnccc1N)C 62a_100000047001_100000761012 [0,0,0,0,0,2|2,0,0]=4 1232 B13R1.158 CC(=CCSc1cnccc1N)C 62a_100000761012_100000047001 [0,0,0,0,0,2|2,0,0]=4 1233 B13R1.158 CC(=CCSc1cncnc1C)C 62a_100000761012_100009819671 [0,0,0,0,0,2|2,0,0]=4 1234 B13R1.158 CC(=CCSc1cncnc1C)C 62a_100009819671_100000761012 [0,0,0,0,0,2|2,0,0]=4 1235 B13R1.158 CC(=CCSc1ncc[nH]c1=O)C 62a_100000761012_100000763361 [0,0,0,0,0,2|2,0,0]=4 1236 B13R1.158 CC(=CCSc1ncccc1Br)C 62a_100000696092_100000761012 [0,0,0,0,0,2|2,0,0]=4 1237 B13R1.158 CC(=CCSc1ncccc1Br)C 62a_100000761012_100000696092 [0,0,0,0,0,2|2,0,0]=4 1238 B13R1.158 CC(=CCSc1ncccc1C)C 62a_100000751373_100000761012 [0,0,0,0,0,2|1,0,0]=3 1239 B13R1.158 CC(=CCSc1ncccc1C)C 62a_100000761012_100000751373 [0,0,0,0,0,2|1,0,0]=3 1240 B13R1.158 CC(=CCSc1ncccc1Cl)C 62a_100000761012_100011356963 [0,0,0,0,0,2|2,0,0]=4 1241 B13R1.158 CC(=CCSc1ncccc1Cl)C 62a_100011356963_100000761012 [0,0,0,0,0,2|2,0,0]=4 1242 B13R1.158 CC(=CCSc1ncccc1F)C 62a_100000685392_100000761012 [0,0,0,0,0,2|2,0,0]=4 1243 B13R1.158 CC(=CCSc1ncccc1F)C 62a_100000761012_100000685392 [0,0,0,0,0,2|2,0,0]=4 1244 B13R1.158 CC(=CCSc1ncccc1N)C 62a_100000688686_100000761012 [0,0,0,0,0,2|2,0,0]=4 1245 B13R1.158 CC(=CCSc1ncccc1N)C 62a_100000761012_100000688686 [0,0,0,0,0,2|2,0,0]=4 1246 B13R1.158 CC(=CCSc1ncccc1O)C 62a_100000034122_100000761012 [0,0,0,0,0,2|2,0,0]=4 1247 B13R1.158 CC(=CCSc1ncccc1O)C 62a_100000761012_100000034122 [0,0,0,0,0,2|2,0,0]=4 1248 B13R1.158 CC(=CCSc1nccnc1C)C 62a_100000761012_100011999405 [0,0,0,0,0,2|1,0,0]=3 1249 B13R1.158 CC(=CCSc1nccnc1C)C 62a_100011999405_100000761012 [0,0,0,0,0,2|1,0,0]=3 1250 B13R1.158 CC(=CCSc1nccnc1Cl)C 62a_100000761012_100010886584 [0,0,0,0,0,2|2,0,0]=4 1251 B13R1.158 CC(=CCSc1nccnc1Cl)C 62a_100010886584_100000761012 [0,0,0,0,0,2|2,0,0]=4 1252 B13R1.158 CC(=CCSc1nccnc1F)C 62a_100000761012_200010125657 [0,0,0,0,0,2|2,0,0]=4 1253 B13R1.158 CC(=CCSc1nccnc1F)C 62a_200010125657_100000761012 [0,0,0,0,0,2|2,0,0]=4 1254 B13R1.158 CC(=CCSc1nccnc1N)C 62a_100000747729_100000761012 [0,0,0,0,0,2|2,0,0]=4 1255 B13R1.158 CC(=CCSc1nccnc1N)C 62a_100000761012_100000747729 [0,0,0,0,0,2|2,0,0]=4 1256 B13R1.158 CC(=CCSc1ncncc1C)C 62a_100000761012_100011998708 [0,0,0,0,0,2|1,0,0]=3 1257 B13R1.158 CC(=CCSc1ncncc1C)C 62a_100011998708_100000761012 [0,0,0,0,0,2|1,0,0]=3 1258 B13R1.158 CC(=CCSc1ncncc1F)C 62a_100000069762_100000761012 [0,0,0,0,0,2|2,0,0]=4 1259 B13R1.158 CC(=CCSc1ncncc1F)C 62a_100000761012_100000069762 [0,0,0,0,0,2|2,0,0]=4 1260 B13R1.158 CC(=CCSc1ncncc1N)C 62a_100000709731_100000761012 [0,0,0,0,0,2|2,0,0]=4 1261 B13R1.158 CC(=CCSc1ncncc1N)C 62a_100000761012_100000709731 [0,0,0,0,0,2|2,0,0]=4 1262 B13R1.158 CC(=CCSc1nnccc1C)C 62a_100000761012_100000089043 [0,0,0,0,0,2|1,0,0]=3 1263 B13R1.149 CC(=CCNc1cc(ccn1)F)C 27a_100000718196_100000764206 [0,0,0,0,0,2|2,0,0]=4 1264 B13R1.149 CC(=CCNc1cc(cnn1)C)C 27a_100000718196_100000070100 [0,0,0,0,0,2|2,0,0]=4 1265 B13R1.149 CC(=CCNc1cc(ncn1)C)C 27a_100000718196_100000744208 [0,0,0,0,0,2|2,0,0]=4 1266 B13R1.149 CC(=CCNc1cccc(c1)Br)C 34a_100000210019_100000761012 [0,0,0,0,0,2|2,0,0]=4 1267 B13R1.149 CC(=CCNc1cccc(c1)C)C 2230a_100000188690_100000761012 [0,0,0,0,0,2|1,0,0]=3 1268 B13R1.149 CC(=CCNc1cccc(c1)C)C 34a_100000188690_100000761012 [0,0,0,0,0,2|1,0,0]=3 1269 B13R1.149 CC(=CCNc1cccc(c1)Cl)C 34a_100000185859_100000761012 [0,0,0,0,0,2|2,0,0]=4 1270 B13R1.149 CC(=CCNc1cccc(c1)F)C 34a_100000210047_100000761012 [0,0,0,0,0,2|2,0,0]=4 1271 B13R1.149 CC(=CCNc1cccc(c1)I)C 34a_100000211102_100000761012 [0,0,0,0,0,2|2,0,0]=4 1272 B13R1.149 CC(=CCNc1cccc(c1)O)C 34a_100000210217_100000761012 [0,0,0,0,0,2|2,0,0]=4 1273 B13R1.149 CC(=CCNc1cccc(n1)F)C 27a_100000718196_100009815982 [0,0,0,0,0,2|2,0,0]=4 1274 B13R1.149 CC(=CCNc1ccnc(c1)C)C 27a_100000718196_100000758586 [0,0,0,0,0,2|2,0,0]=4 1275 B13R1.149 CC(=CCNc1ccnc(n1)C)C 27a_100000718196_100000749937 [0,0,0,0,0,2|2,0,0]=4 1276 B13R1.149 CC(=CCNc1cncc(n1)C)C 27a_100000718196_100000754123 [0,0,0,0,0,2|2,0,0]=4 1277 B13R1.149 CC(=CCNc1nccc(n1)C)C 27a_100000718196_100000750684 [0,0,0,0,0,2|1,0,0]=3 1278 B13R1.149 CC(=CCNc1nccc(n1)N)C 27a_100000718196_100000757536 [0,0,0,0,0,2|2,0,0]=4 1279 B13R1.149 CC(=CCNc1nccc(n1)O)C 27a_100000718196_100011649813 [0,0,0,0,0,2|2,0,0]=4 1280 B13R1.149 CC(=CCOc1cc(cnn1)C)C 34a_100000766097_100000761012 [0,0,0,0,0,2|2,0,0]=4 1281 B13R1.149 CC(=CCOc1cccc(=O)[nH]1)C 34a_100000033347_100000761012 [0,0,0,0,0,2|2,0,0]=4 1282 B13R1.149 CC(=CCOc1cccc(c1)Br)C 34a_100000210342_100000761012 [0,0,0,0,0,2|2,0,0]=4 1283 B13R1.149 CC(=CCOc1cccc(c1)Br)C 7a_100000210342_100000761012 [0,0,0,0,0,2|2,0,0]=4 1284 B13R1.149 CC(=CCOc1cccc(c1)C)C 34a_100000210337_100000761012 [0,0,0,0,0,2|1,0,0]=3 1285 B13R1.149 CC(=CCOc1cccc(c1)C)C 7a_100000210337_100000761012 [0,0,0,0,0,2|1,0,0]=3 1286 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 34a_100000210295_100000761012 [0,0,0,0,0,2|2,0,0]=4 1287 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 7a_100000210295_100000761012 [0,0,0,0,0,2|2,0,0]=4 1288 B13R1.149 CC(=CCOc1cccc(c1)F)C 34a_100000210426_100000761012 [0,0,0,0,0,2|2,0,0]=4 1289 B13R1.149 CC(=CCOc1cccc(c1)F)C 7a_100000210426_100000761012 [0,0,0,0,0,2|2,0,0]=4 1290 B13R1.149 CC(=CCOc1cccc(c1)I)C 34a_100000211634_100000761012 [0,0,0,0,0,2|2,0,0]=4 1291 B13R1.149 CC(=CCOc1cccc(c1)I)C 7a_100000211634_100000761012 [0,0,0,0,0,2|2,0,0]=4 1292 B13R1.149 CC(=CCOc1cccc(c1)N)C 34a_100000210217_100000761012 [0,0,0,0,0,2|2,0,0]=4 1293 B13R1.149 CC(=CCOc1cccc(n1)F)C 34a_100011432558_100000761012 [0,0,0,0,0,2|2,0,0]=4 1294 B13R1.149 CC(=CCOc1ccnc(c1)C)C 34a_100000688365_100000761012 [0,0,0,0,0,2|2,0,0]=4 1295 B13R1.149 CC(=CCOc1cncc(c1)C)C 34a_100011830280_100000761012 [0,0,0,0,0,2|2,0,0]=4 1296 B13R1.149 CC(=CCOc1cncc(c1)C)C 7a_100011830280_100000761012 [0,0,0,0,0,2|2,0,0]=4 1297 B13R1.149 CC(=CCSc1cc(=O)cc[nH]1)C 62a_100009817434_100000761012 [0,0,0,0,0,2|2,0,0]=4 1298 B13R1.149 CC(=CCSc1cc(ccn1)C)C 62a_100000750283_100000761012 [0,0,0,0,0,2|1,0,0]=3 1299 B13R1.149 CC(=CCSc1cc(ccn1)C)C 62a_100000761012_100000750283 [0,0,0,0,0,2|1,0,0]=3 1300 B13R1.149 CC(=CCSc1cc(ccn1)Cl)C 62a_100000761012_100010167805 [0,0,0,0,0,2|2,0,0]=4 1301 B13R1.149 CC(=CCSc1cc(ccn1)Cl)C 62a_100010167805_100000761012 [0,0,0,0,0,2|2,0,0]=4 1302 B13R1.149 CC(=CCSc1cc(ccn1)F)C 62a_100000761012_100000764206 [0,0,0,0,0,2|2,0,0]=4 1303 B13R1.149 CC(=CCSc1cc(ccn1)F)C 62a_100000764206_100000761012 [0,0,0,0,0,2|2,0,0]=4 1304 B13R1.149 CC(=CCSc1cc(ccn1)N)C 62a_100000761012_100009814236 [0,0,0,0,0,2|2,0,0]=4 1305 B13R1.149 CC(=CCSc1cc(ccn1)N)C 62a_100009814236_100000761012 [0,0,0,0,0,2|2,0,0]=4 1306 B13R1.149 CC(=CCSc1cc(ccn1)O)C 62a_100000761012_100000762945 [0,0,0,0,0,2|2,0,0]=4 1307 B13R1.149 CC(=CCSc1cc(cnn1)C)C 62a_100000070100_100000761012 [0,0,0,0,0,2|2,0,0]=4 1308 B13R1.149 CC(=CCSc1cc(cnn1)C)C 62a_100000761012_100000070100 [0,0,0,0,0,2|2,0,0]=4 1309 B13R1.149 CC(=CCSc1cc(ncn1)C)C 62a_100000744208_100000761012 [0,0,0,0,0,2|2,0,0]=4 1310 B13R1.149 CC(=CCSc1cc(ncn1)C)C 62a_100000761012_100000744208 [0,0,0,0,0,2|2,0,0]=4 1311 B13R1.149 CC(=CCSc1ccc[n+](c1)C)C 62a_100000761012_100009996589 [0,0,0,0,0,2|2,0,0]=4 1312 B13R1.149 CC(=CCSc1ccc[n+](c1)C)C 62a_100009996589_100000761012 [0,0,0,0,0,2|2,0,0]=4 1313 B13R1.149 CC(=CCSc1cccc(=O)[nH]1)C 62a_100000761012_100000752884 [0,0,0,0,0,2|2,0,0]=4 1314 B13R1.149 CC(=CCSc1cccc(c1)Br)C 62a_100000691529_100000761012 [0,0,0,0,0,2|2,0,0]=4 1315 B13R1.149 CC(=CCSc1cccc(c1)Br)C 62a_100000761012_100000691529 [0,0,0,0,0,2|2,0,0]=4 1316 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100000761012_100011215228 [0,0,0,0,0,2|1,0,0]=3 1317 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100011215228_100000761012 [0,0,0,0,0,2|1,0,0]=3 1318 B13R1.149 CC(=CCSc1cccc(c1)Cl)C 62a_100000699651_100000761012 [0,0,0,0,0,2|2,0,0]=4 1319 B13R1.149 CC(=CCSc1cccc(c1)Cl)C 62a_100000761012_100000699651 [0,0,0,0,0,2|2,0,0]=4 1320 B13R1.149 CC(=CCSc1cccc(c1)F)C 62a_100000685547_100000761012 [0,0,0,0,0,2|2,0,0]=4 1321 B13R1.149 CC(=CCSc1cccc(c1)F)C 62a_100000761012_100000685547 [0,0,0,0,0,2|2,0,0]=4 1322 B13R1.149 CC(=CCSc1cccc(c1)N)C 62a_100000210019_100000761012 [0,0,0,0,0,2|2,0,0]=4 1323 B13R1.149 CC(=CCSc1cccc(c1)N)C 62a_100000761012_100000210019 [0,0,0,0,0,2|2,0,0]=4 1324 B13R1.149 CC(=CCSc1cccc(c1)O)C 62a_100000761012_100000211634 [0,0,0,0,0,2|2,0,0]=4 1325 B13R1.149 CC(=CCSc1cccc(c1)[S])C 62a_100000761012_114929384022 [0,0,0,0,0,2|2,0,0]=4 1326 B13R1.149 CC(=CCSc1cccc(c1)[S])C 62a_114929384022_100000761012 [0,0,0,0,0,2|2,0,0]=4 1327 B13R1.149 CC(=CCSc1cccc(n1)Br)C 62a_100000684672_100000761012 [0,0,0,0,0,2|2,0,0]=4 1328 B13R1.149 CC(=CCSc1cccc(n1)Br)C 62a_100000761012_100000684672 [0,0,0,0,0,2|2,0,0]=4 1329 B13R1.149 CC(=CCSc1cccc(n1)C)C 62a_100000742759_100000761012 [0,0,0,0,0,2|1,0,0]=3 1330 B13R1.149 CC(=CCSc1cccc(n1)C)C 62a_100000761012_100000742759 [0,0,0,0,0,2|1,0,0]=3 1331 B13R1.149 CC(=CCSc1cccc(n1)Cl)C 62a_100000051397_100000761012 [0,0,0,0,0,2|2,0,0]=4 1332 B13R1.149 CC(=CCSc1cccc(n1)Cl)C 62a_100000761012_100000051397 [0,0,0,0,0,2|2,0,0]=4 1333 B13R1.149 CC(=CCSc1cccc(n1)F)C 62a_100000761012_100009815982 [0,0,0,0,0,2|2,0,0]=4 1334 B13R1.149 CC(=CCSc1cccc(n1)F)C 62a_100009815982_100000761012 [0,0,0,0,0,2|2,0,0]=4 1335 B13R1.149 CC(=CCSc1cccc(n1)N)C 62a_100000740741_100000761012 [0,0,0,0,0,2|2,0,0]=4 1336 B13R1.149 CC(=CCSc1cccc(n1)N)C 62a_100000761012_100000740741 [0,0,0,0,0,2|2,0,0]=4 1337 B13R1.149 CC(=CCSc1ccnc(c1)C)C 62a_100000758586_100000761012 [0,0,0,0,0,2|2,0,0]=4 1338 B13R1.149 CC(=CCSc1ccnc(c1)C)C 62a_100000761012_100000758586 [0,0,0,0,0,2|2,0,0]=4 1339 B13R1.149 CC(=CCSc1ccnc(n1)C)C 62a_100000749937_100000761012 [0,0,0,0,0,2|2,0,0]=4 1340 B13R1.149 CC(=CCSc1ccnc(n1)C)C 62a_100000761012_100000749937 [0,0,0,0,0,2|2,0,0]=4 1341 B13R1.149 CC(=CCSc1cncc(c1)C)C 62a_100000760492_100000761012 [0,0,0,0,0,2|2,0,0]=4 1342 B13R1.149 CC(=CCSc1cncc(c1)C)C 62a_100000761012_100000760492 [0,0,0,0,0,2|2,0,0]=4 1343 B13R1.149 CC(=CCSc1cncc(n1)C)C 62a_100000754123_100000761012 [0,0,0,0,0,2|2,0,0]=4 1344 B13R1.149 CC(=CCSc1cncc(n1)C)C 62a_100000761012_100000754123 [0,0,0,0,0,2|2,0,0]=4 1345 B13R1.149 CC(=CCSc1nccc(n1)C)C 62a_100000761012_100011243806 [0,0,0,0,0,2|1,0,0]=3 1346 B13R1.149 CC(=CCSc1nccc(n1)C)C 62a_100011243806_100000761012 [0,0,0,0,0,2|1,0,0]=3 1347 B13R1.149 CC(=CCSc1nccc(n1)N)C 62a_100000757536_100000761012 [0,0,0,0,0,2|2,0,0]=4 1348 B13R1.149 CC(=CCSc1nccc(n1)N)C 62a_100000761012_100000757536 [0,0,0,0,0,2|2,0,0]=4 1349 B13R1.149 CC(=CCSc1nccc(n1)O)C 62a_100000761012_100011649813 [0,0,0,0,0,2|2,0,0]=4 1350 B13R1.167 C=C(C)CCOCc1occc1C 34a_100011273948_100000730704 [0,0,0,0,0,2|0,0,2]=4 1351 B13R1.167 C=C(C)CCOCc1occc1C 7a_100011273948_100000730704 [0,0,0,0,0,2|0,0,2]=4 1352 B13R1.167 CC(=CCCSc1ccsc1C)C 62a_100000684487_100011217483 [0,0,0,0,0,2|2,0,0]=4 1353 B13R1.167 CC(=CCCSc1ccsc1C)C 62a_100011217483_100000684487 [0,0,0,0,0,2|2,0,0]=4 1354 B13R1.167 CC(=CCCSc1cscc1C)C 62a_100000759966_100011217483 [0,0,0,0,0,2|2,0,0]=4 1355 B13R1.167 CC(=CCCSc1cscc1C)C 62a_100011217483_100000759966 [0,0,0,0,0,2|2,0,0]=4 1356 B13R1.167 CC(=CCCSc1n[nH]cc1C)C 62a_100009871783_100011217483 [0,0,0,0,0,2|2,0,0]=4 1357 B13R1.167 CC(=CCCSc1n[nH]cc1C)C 62a_100011217483_100009871783 [0,0,0,0,0,2|2,0,0]=4 1358 B13R1.167 CC(=CCCSc1nc[nH]c1C)C 62a_100010186451_100011217483 [0,0,0,0,0,2|2,0,0]=4 1359 B13R1.167 CC(=CCCSc1nc[nH]c1C)C 62a_100011217483_100010186451 [0,0,0,0,0,2|2,0,0]=4 1360 B13R1.167 CC(=CCCSc1nccn1C)C 62a_100000707724_100011217483 [0,0,0,0,0,2|2,0,0]=4 1361 B13R1.167 CC(=CCCSc1nccn1C)C 62a_100011217483_100000707724 [0,0,0,0,0,2|2,0,0]=4 1362 B13R1.167 CC(=CCCSc1ncsc1C)C 62a_100000732656_100011217483 [0,0,0,0,0,2|2,0,0]=4 1363 B13R1.167 CC(=CCCSc1ncsc1C)C 62a_100011217483_100000732656 [0,0,0,0,0,2|2,0,0]=4 1364 B13R1.167 CC(=CCCSc1sccc1Br)C 62a_100011217483_100012361411 [0,0,0,0,0,2|1,1,0]=4 1365 B13R1.167 CC(=CCCSc1sccc1Br)C 62a_100012361411_100011217483 [0,0,0,0,0,2|1,1,0]=4 1366 B13R1.167 CC(=CCCSc1sccc1C)C 62a_100010247149_100011217483 [0,0,0,0,0,2|0,1,0]=3 1367 B13R1.167 CC(=CCCSc1sccc1C)C 62a_100011217483_100010247149 [0,0,0,0,0,2|0,1,0]=3 1368 B13R1.167 CC(=CCCSc1scnc1C)C 62a_100009817116_100011217483 [0,0,0,0,0,2|1,1,0]=4 1369 B13R1.167 CC(=CCCSc1scnc1C)C 62a_100011217483_100009817116 [0,0,0,0,0,2|1,1,0]=4 1370 B13R1.167 CC(=CCNCc1[nH]ncc1C)C 270004a_100000718196_100000708485 [0,0,0,0,0,2|2,0,0]=4 1371 B13R1.167 CC(=CCNCc1cccn1C)C 270004a_100000718196_100000211633 [0,0,0,0,0,2|2,0,0]=4 1372 B13R1.167 CC(=CCNCc1cccn1C)C 34a_100011219357_100000761012 [0,0,0,0,0,2|2,0,0]=4 1373 B13R1.167 CC(=CCNCc1nccn1C)C 2230a_100015186572_100000761012 [0,0,0,0,0,2|2,0,0]=4 1374 B13R1.167 CC(=CCNCc1nccn1C)C 270004a_100000718196_100000748660 [0,0,0,0,0,2|2,0,0]=4 1375 B13R1.167 CC(=CCNCc1nccn1C)C 34a_100000718196_100000700302 [0,0,0,0,0,2|2,0,0]=4 1376 B13R1.167 CC(=CCNCc1ncoc1C)C 34a_100000718196_200000693990 [0,0,0,0,0,2|2,0,0]=4 1377 B13R1.167 CC(=CCNCc1occc1Br)C 270004a_100000718196_100000756499 [0,0,0,0,0,2|1,0,0]=3 1378 B13R1.167 CC(=CCNCc1occc1C)C 270004a_100000718196_100000763527 [0,0,0,0,0,2|0,0,0]=2 1379 B13R1.167 CC(=CCNCc1sccc1Br)C 270004a_100000718196_100000766043 [0,0,0,0,0,2|1,1,0]=4 1380 B13R1.167 CC(=CCNCc1sccc1C)C 2230a_100000238519_100000761012 [0,0,0,0,0,2|0,1,0]=3 1381 B13R1.167 CC(=CCNCc1sccc1C)C 270004a_100000718196_100000210881 [0,0,0,0,0,2|0,1,0]=3 1382 B13R1.167 CC(=CCNCc1sccc1C)C 34a_100000238519_100000761012 [0,0,0,0,0,2|0,1,0]=3 1383 B13R1.167 CC(=CCNCc1sccc1Cl)C 2230a_100011934584_100000761012 [0,0,0,0,0,2|1,1,0]=4 1384 B13R1.167 CC(=CCNCc1sccc1Cl)C 270004a_100000718196_100000722334 [0,0,0,0,0,2|1,1,0]=4 1385 B13R1.167 CC(=CCNCc1sccc1Cl)C 34a_100011934584_100000761012 [0,0,0,0,0,2|1,1,0]=4 1386 B13R1.167 CC(=CCNCc1scnc1C)C 2230a_100000752186_100000761012 [0,0,0,0,0,2|1,1,0]=4 1387 B13R1.167 CC(=CCOCc1ccoc1C)C 34a_100011219433_100000761012 [0,0,0,0,0,2|2,0,0]=4 1388 B13R1.167 CC(=CCOCc1ccoc1C)C 7a_100011219433_100000761012 [0,0,0,0,0,2|2,0,0]=4 1389 B13R1.167 CC(=CCOCc1nccn1C)C 34a_100000753907_100000700302 [0,0,0,0,0,2|2,0,0]=4 1390 B13R1.167 CC(=CCOCc1nccn1C)C 7a_100000691215_100000761012 [0,0,0,0,0,2|2,0,0]=4 1391 B13R1.167 CC(=CCOCc1ncoc1C)C 34a_100000753907_200000693990 [0,0,0,0,0,2|2,0,0]=4 1392 B13R1.167 CC(=CCOCc1ncoc1C)C 34a_100012017639_100000761012 [0,0,0,0,0,2|2,0,0]=4 1393 B13R1.167 CC(=CCOCc1occc1C)C 34a_100011273948_100000761012 [0,0,0,0,0,2|0,0,0]=2 1394 B13R1.167 CC(=CCOCc1occc1C)C 7a_100011273948_100000761012 [0,0,0,0,0,2|0,0,0]=2 1395 B13R1.167 CC(=CCOCc1ocnc1C)C 34a_100000717716_100000761012 [0,0,0,0,0,2|1,0,0]=3 1396 B13R1.167 CC(=CCOCc1ocnc1C)C 7a_100000717716_100000761012 [0,0,0,0,0,2|1,0,0]=3 1397 B13R1.167 CC(=CCOCc1oncc1C)C 34a_200011065769_100000761012 [0,0,0,0,0,2|1,0,0]=3 1398 B13R1.167 CC(=CCOCc1sccc1Br)C 34a_100000702026_100000761012 [0,0,0,0,0,2|1,1,0]=4 1399 B13R1.167 CC(=CCOCc1sccc1C)C 34a_100000238368_100000761012 [0,0,0,0,0,2|0,1,0]=3 1400 B13R1.167 CC(=CCOCc1sccc1C)C 7a_100000238368_100000761012 [0,0,0,0,0,2|0,1,0]=3 1401 B13R1.167 CC(=CCOCc1sccc1Cl)C 34a_100000722387_100000761012 [0,0,0,0,0,2|1,1,0]=4 1402 B13R1.167 CC(=CCOCc1sccc1Cl)C 7a_100000722387_100000761012 [0,0,0,0,0,2|1,1,0]=4 1403 B13R1.167 CC(=CCOCc1scnc1C)C 34a_100000750112_100000761012 [0,0,0,0,0,2|1,1,0]=4 1404 B13R1.167 CC(=CCOCc1scnc1C)C 7a_100000750112_100000761012 [0,0,0,0,0,2|1,1,0]=4 1405 B13R1.167 CC(=CCSCc1nc[nH]c1C)C 62a_100000751220_100000761012 [0,0,0,0,0,2|2,0,0]=4 1406 B13R1.167 CC(=CCSCc1nc[nH]c1C)C 62a_100000761012_100000751220 [0,0,0,0,0,2|2,0,0]=4 1407 B13R1.167 CC(=CCSCc1nccn1C)C 62a_100000700302_100000761012 [0,0,0,0,0,2|2,0,0]=4 1408 B13R1.167 CC(=CCSCc1nccn1C)C 62a_100000761012_100000700302 [0,0,0,0,0,2|2,0,0]=4 1409 B13R1.167 CC(=CCSCc1ncoc1C)C 62a_100000761012_200000693990 [0,0,0,0,0,2|2,0,0]=4 1410 B13R1.167 CC(=CCSCc1ncoc1C)C 62a_200000693990_100000761012 [0,0,0,0,0,2|2,0,0]=4 1411 B13R1.167 CC(=O)CCOCc1occc1C 7a_100011273948_100000053229 [0,0,0,0,0,2|1,0,1]=4 1412 B13R1.167 CC(=O)OCOCc1occc1C 34a_100011273948_100009813279 [0,0,0,0,0,2|1,0,1]=4 1413 B13R1.167 Cc1ccoc1CNCCC(C)C 207a_100000210545_100000763527 [0,0,0,0,0,2|0,0,2]=4 1414 B13R1.167 Cc1ccoc1CNCCC(C)C 270004a_100000210545_100000763527 [0,0,0,0,0,2|0,0,2]=4 1415 B13R1.167 Cc1ccoc1CNCCN(C)C 207a_100000210585_100000763527 [0,0,0,0,0,2|1,0,1]=4 1416 B13R1.167 Cc1ccoc1CNCCN(C)C 270004a_100000210585_100000763527 [0,0,0,0,0,2|1,0,1]=4 1417 B13R1.167 Cc1ccoc1COCCC(C)C 34a_100011273948_100000210312 [0,0,0,0,0,2|0,0,2]=4 1418 B13R1.167 Cc1ccoc1COCCC(C)C 7a_100011273948_100000210626 [0,0,0,0,0,2|0,0,2]=4 1419 B13R1.167 Cc1ccoc1COCCN(C)C 7a_100011273948_100000755713 [0,0,0,0,0,2|1,0,1]=4 1420 B13R1.167 Cc1ccoc1COCOC(C)C 34a_100011273948_100000709892 [0,0,0,0,0,2|0,0,2]=4