0 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.75 CC(=Cc1nccnc1C#N)C 271570a_100102525489_100000040484 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.75 CC(=Cc1nccnc1CN)C 271570a_100102525489_100000729963 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.75 CC(=Cc1nccnc1CO)C 271570a_100102525489_100000057004 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.75 CC(=Cc1nccnc1NN)C 271570a_100102525489_100000755098 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,0,0,0,0,0|3,1,0]=4 8 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,0,0,0,0,0|3,1,0]=4 9 B12R1.75 CC(C)Nc1ncccc1C#N 27a_100138425928_100000211984 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.75 CC(C)Nc1nccnc1C#N 27a_100138425928_100000040484 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,0,0,0,0,0|3,1,0]=4 16 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,0,0,0,0,0|3,1,0]=4 17 B12R1.75 CC(C)Oc1cccnc1C#N 34a_100000722750_100000210206 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.75 CC(C)Oc1cccnc1C#N 7a_100000722750_100000210206 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.75 CC(C)Oc1cccnc1CBr 34a_200020655725_100000210206 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.75 CC(C)Oc1cccnc1CBr 7a_200020655725_100000210206 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.75 CC(C)Oc1cccnc1CO 34a_100000731849_100000210206 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,0,0,0,0,0|2,1,0]=3 23 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,0,0,0,0,0|2,1,0]=3 24 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 2230a_100000688217_200025704644 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 34a_100000688217_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.75 CC(C)Sc1cccnc1C#N 62a_100000210206_100000685805 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100000210206_100011934733 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100011934733_100000210206 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.75 CC(C)Sc1cccnc1CN 62a_100000210206_100020591323 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.75 CC(C)Sc1cccnc1CN 62a_100020591323_100000210206 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.75 CC(C)Sc1cccnc1CO 62a_100000210206_100011996772 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.75 CC(C)Sc1cccnc1CO 62a_100011996772_100000210206 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.75 CC(C)Sc1cccnc1NN 62a_100000210206_100011464834 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.75 CC(C)Sc1cccnc1NN 62a_100011464834_100000210206 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.75 CC(C)Sc1ncccc1C#N 62a_100000210206_100000211984 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100000210206_100009816751 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100009816751_100000210206 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.75 CC(C)Sc1ncccc1CN 62a_100000210206_100015189234 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.75 CC(C)Sc1ncccc1CN 62a_100015189234_100000210206 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000210206_100000748726 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000748726_100000210206 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.75 CC(C)Sc1nccnc1C#N 62a_100000210206_100000040484 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000051000_100000210206 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000210206_100000051000 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.75 CC(C)Sc1nccnc1NN 62a_100000210206_100000755098 [0,0,0,0,0,0|3,0,0]=3 50 B12R1.75 CCc1ccccc1CN(C)C 270004a_100102631434_100011219594 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.75 CCc1cncnc1NC(C)C 27a_100138425928_200000100055 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.75 CCc1cncnc1SC(C)C 62a_100000210206_200000100055 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.75 CCc1cncnc1SC(C)C 62a_200000100055_100000210206 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [0,0,0,0,0,0|1,0,2]=3 65 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,0,0,0,0,0|2,0,0]=2 66 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,0,0,0,0,0|2,0,0]=2 67 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,0,0,0,0,0|2,0,0]=2 68 B12R1.75 CCc1ncncc1NC(C)C 27a_100138425928_100009816992 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.75 CCc1ncncc1SC(C)C 62a_100000210206_100009816992 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.75 CCc1ncncc1SC(C)C 62a_100009816992_100000210206 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_100000174758_200025704644 [0,0,0,0,0,0|3,1,0]=4 72 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_200025704644_100000174758 [0,0,0,0,0,0|3,1,0]=4 73 B12R1.75 CN(C)Cc1cccnc1C#N 2230a_100102631434_100011768898 [0,0,0,0,0,0|4,0,0]=4 74 B12R1.75 CN(C)Cc1cccnc1C#N 269982a_100102631434_100011768898 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.75 CN(C)Cc1ncccc1C#N 2230a_100102631434_100000099805 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.75 CN(C)Cc1ncccc1C#N 269982a_100102631434_100000099805 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.75 CNc1ccccc1SC(C)C 2230a_100000688217_200000210301 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.75 CNc1ccccc1SC(C)C 34a_100000688217_200000210301 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.75 CNc1ccccc1SC(C)C 62a_100000210206_100020606079 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.75 CNc1ccccc1SC(C)C 62a_100020606079_100000210206 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.75 CNc1cccnc1C=C(C)C 271570a_100102525489_200011806188 [0,0,0,0,0,0|2,0,2]=4 85 B12R1.75 CNc1cccnc1SC(C)C 62a_100000210206_200011806188 [0,0,0,0,0,0|3,0,0]=3 86 B12R1.75 CNc1ncccc1C=C(C)C 271570a_100102525489_100000700899 [0,0,0,0,0,0|2,0,2]=4 87 B12R1.75 CNc1ncccc1SC(C)C 62a_100000210206_100000700899 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.75 CNc1ncccc1SC(C)C 62a_100000700899_100000210206 [0,0,0,0,0,0|3,0,0]=3 89 B12R1.75 CNc1nccnc1C=C(C)C 271570a_100102525489_100011529439 [0,0,0,0,0,0|1,0,2]=3 90 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,0,0,0,0,0|2,0,0]=2 91 B12R1.75 CNc1ncncc1SC(C)C 62a_100000210206_200012180720 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.75 CNc1ncncc1SC(C)C 62a_200012180720_100000210206 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,0,0,0,0,0|2,0,2]=4 94 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,0,0,0,0,0|3,0,1]=4 95 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,0,0,0,0,0|3,0,1]=4 96 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,0,0,0,0,0|3,0,1]=4 97 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,0,0,0,0,0|3,0,0]=3 98 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,0,0,0,0,0|3,0,0]=3 99 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,0,0,0,0,0|3,0,0]=3 100 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,0,0,0,0,0|3,0,0]=3 105 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,0,0,0,0,0|3,0,0]=3 106 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,0,0,0,0,0|3,0,0]=3 109 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,0,0,0,0,0|3,0,0]=3 110 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,0,0,0,0,0|1,0,2]=3 111 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,0,0,0,0,0|2,0,0]=2 112 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,0,0,0,0,0|3,0,1]=4 113 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,0,0,0,0,0|2,0,0]=2 115 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,0,0,0,0,0|2,0,0]=2 116 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,0,0,0,0,0|2,0,0]=2 117 B12R1.75 COc1ccncc1CN(C)C 270004a_100102631434_200011997045 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.75 COc1ccncc1OC(C)C 34a_100000101186_100000210206 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.75 COc1ccncc1SC(C)C 62a_100000210206_100011997281 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.75 COc1ccncc1SC(C)C 62a_100011997281_100000210206 [0,0,0,0,0,0|4,0,0]=4 121 B12R1.75 COc1cnccc1CN(C)C 2230a_100102631434_100020635607 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.75 COc1cnccc1CN(C)C 270004a_100102631434_100011361505 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.75 COc1cnccc1SC(C)C 62a_100000210206_100016988167 [0,0,0,0,0,0|4,0,0]=4 124 B12R1.75 COc1cnccc1SC(C)C 62a_100016988167_100000210206 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.75 COc1cncnc1C=C(C)C 271570a_100102525489_100012001275 [0,0,0,0,0,0|2,0,2]=4 126 B12R1.75 COc1cncnc1NC(C)C 27a_100138425928_100012001275 [0,0,0,0,0,0|3,0,0]=3 127 B12R1.75 COc1cncnc1SC(C)C 62a_100000210206_100012001275 [0,0,0,0,0,0|3,0,0]=3 128 B12R1.75 COc1cncnc1SC(C)C 62a_100012001275_100000210206 [0,0,0,0,0,0|3,0,0]=3 129 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,0,0,0,0,0|1,0,2]=3 130 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,0,0,0,0,0|2,0,1]=3 131 B12R1.75 COc1ncccc1CN(C)C 2230a_100102631434_100020631285 [0,0,0,0,0,0|2,0,0]=2 132 B12R1.75 COc1ncccc1CN(C)C 270004a_100102631434_100011290804 [0,0,0,0,0,0|2,0,0]=2 133 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,0,0,0,0,0|2,0,0]=2 134 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,0,0,0,0,0|2,0,0]=2 135 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,0,0,0,0,0|2,0,0]=2 136 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,0,0,0,0,0|2,0,0]=2 137 B12R1.75 COc1nccnc1C=C(C)C 271570a_100102525489_100000749998 [0,0,0,0,0,0|0,0,2]=2 138 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,0,0,0,0,0|1,0,0]=1 139 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,0,0,0,0,0|1,0,0]=1 140 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,0,0,0,0,0|1,0,0]=1 141 B12R1.75 COc1ncncc1C=C(C)C 271570a_100102525489_100000719902 [0,0,0,0,0,0|2,0,2]=4 142 B12R1.75 COc1ncncc1SC(C)C 62a_100000210206_100000719902 [0,0,0,0,0,0|3,0,0]=3 143 B12R1.75 COc1ncncc1SC(C)C 62a_100000719902_100000210206 [0,0,0,0,0,0|3,0,0]=3 144 B12R1.75 CSc1ccccc1CN(C)C 2230a_100102631434_100000699184 [0,0,0,0,0,0|3,1,0]=4 145 B12R1.75 CSc1ccccc1CN(C)C 269982a_100102631434_100000699184 [0,0,0,0,0,0|3,1,0]=4 146 B12R1.75 CSc1ccccc1CN(C)C 270004a_100102631434_100011217347 [0,0,0,0,0,0|3,1,0]=4 147 B12R1.75 CSc1ccccc1CN(C)C 62a_100000174758_200000210301 [0,0,0,0,0,0|3,1,0]=4 148 B12R1.75 CSc1ccccc1CN(C)C 62a_200000210301_100000174758 [0,0,0,0,0,0|3,1,0]=4 149 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,0,0,0,0,0|3,1,0]=4 150 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,0,0,0,0,0|3,1,0]=4 151 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,0,0,0,0,0|3,1,0]=4 152 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,0,0,0,0,0|3,1,0]=4 153 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,0,0,0,0,0|3,1,0]=4 154 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,0,0,0,0,0|3,1,0]=4 155 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,0,0,0,0,0|3,1,0]=4 156 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,0,0,0,0,0|3,1,0]=4 157 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,0,0,0,0,0|2,1,0]=3 158 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,0,0,0,0,0|2,1,0]=3 159 B12R1.75 CSc1ncccc1C=C(C)C 271570a_100102525489_100011465278 [0,0,0,0,0,0|1,1,2]=4 160 B12R1.75 CSc1ncccc1SC(C)C 62a_100000210206_100011465278 [0,0,0,0,0,0|2,1,0]=3 161 B12R1.75 CSc1ncccc1SC(C)C 62a_100011465278_100000210206 [0,0,0,0,0,0|2,1,0]=3 162 B11R1.41 C=C=Cc1nccnc1OC 271570a_100015277604_100000749998 [1,0,0,0,0,0|0,0,3]=4 163 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [1,0,0,0,0,0|2,0,1]=4 164 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [1,0,0,0,0,0|1,0,2]=4 165 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [1,0,0,0,0,0|1,0,2]=4 166 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [1,0,0,0,0,0|1,0,2]=4 167 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [1,0,0,0,0,0|1,0,2]=4 168 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [1,0,0,0,0,0|0,0,2]=3 169 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,0,0,0,0,0|2,0,0]=3 177 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,0,0,0,0,0|2,0,0]=3 179 B11R1.41 CCCc1ncncc1NC 27a_100102657272_100009816987 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.41 CCCc1ncncc1SC 62a_100009816987_200000210301 [1,0,0,0,0,0|2,1,0]=4 181 B11R1.41 CCCc1ncncc1SC 62a_200000210301_100009816987 [1,0,0,0,0,0|2,1,0]=4 182 B11R1.41 CCCc1ncncc1S[13CH3] 62a_100009816987_200025704644 [1,0,0,0,0,0|2,1,0]=4 183 B11R1.41 CCCc1ncncc1S[13CH3] 62a_200025704644_100009816987 [1,0,0,0,0,0|2,1,0]=4 184 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [1,0,0,0,0,0|1,0,0]=2 192 B11R1.41 CCNc1ncncc1OC 27a_100015525214_100012001275 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [1,0,0,0,0,0|2,1,0]=4 201 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [1,0,0,0,0,0|2,1,0]=4 202 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [1,0,0,0,0,0|2,1,0]=4 203 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [1,0,0,0,0,0|2,1,0]=4 204 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [1,0,0,0,0,0|2,1,0]=4 208 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [1,0,0,0,0,0|2,1,0]=4 209 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [1,0,0,0,0,0|2,1,0]=4 210 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [1,0,0,0,0,0|2,1,0]=4 211 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [1,0,0,0,0,0|2,0,0]=3 212 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [1,0,0,0,0,0|1,1,0]=3 213 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [1,0,0,0,0,0|1,1,0]=3 214 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [1,0,0,0,0,0|1,1,0]=3 215 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [1,0,0,0,0,0|1,1,0]=3 216 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [1,0,0,0,0,0|2,0,0]=3 223 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [1,0,0,0,0,0|2,0,0]=3 224 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [1,0,0,0,0,0|2,1,0]=4 225 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [1,0,0,0,0,0|2,1,0]=4 226 B11R1.41 CCSc1cncnc1OC 62a_100000210202_100000719902 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.41 CCSc1cncnc1OC 62a_100000719902_100000210202 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [1,0,0,0,0,0|2,0,0]=3 231 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [1,0,0,0,0,0|2,0,0]=3 235 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [1,0,0,0,0,0|2,0,0]=3 236 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [1,0,0,0,0,0|3,0,0]=4 238 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [1,0,0,0,0,0|3,0,0]=4 239 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [1,0,0,0,0,0|2,0,0]=3 241 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [1,0,0,0,0,0|1,0,0]=2 243 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [1,0,0,0,0,0|1,0,0]=2 244 B11R1.41 CCSc1ncncc1OC 62a_100000210202_100012001275 [1,0,0,0,0,0|3,0,0]=4 245 B11R1.41 CCSc1ncncc1OC 62a_100012001275_100000210202 [1,0,0,0,0,0|3,0,0]=4 246 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [1,0,0,0,0,0|3,0,0]=4 251 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [1,0,0,0,0,0|2,0,0]=3 257 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [1,0,0,0,0,0|2,0,0]=3 259 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [1,0,0,0,0,0|2,0,0]=3 260 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [1,0,0,0,0,0|2,0,0]=3 261 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [1,0,0,0,0,0|2,1,0]=4 262 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [1,0,0,0,0,0|2,1,0]=4 263 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [1,0,0,0,0,0|2,1,0]=4 264 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [1,0,0,0,0,0|2,1,0]=4 265 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [1,0,0,0,0,0|2,0,0]=3 266 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [1,0,0,0,0,0|2,0,0]=3 267 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [1,0,0,0,0,0|2,0,0]=3 275 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [1,0,0,0,0,0|2,0,0]=3 276 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [1,0,0,0,0,0|2,0,0]=3 277 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.41 COc1cccnc1SCF 62a_100000767102_100015361967 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.41 COc1cccnc1SCF 62a_100015361967_100000690851 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [1,0,0,0,0,0|2,0,0]=3 294 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [1,0,0,0,0,0|2,0,0]=3 295 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [1,0,0,0,0,0|2,0,0]=3 296 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [1,0,0,0,0,0|2,0,0]=3 297 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [1,0,0,0,0,0|3,0,0]=4 298 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [1,0,0,0,0,0|3,0,0]=4 299 B11R1.41 COc1ncccc1SCF 62a_100000047025_100015361967 [1,0,0,0,0,0|3,0,0]=4 300 B11R1.41 COc1ncccc1SCF 62a_100015361967_100000047025 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [1,0,0,0,0,0|2,0,0]=3 302 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [1,0,0,0,0,0|2,0,0]=3 303 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [1,0,0,0,0,0|1,0,2]=4 309 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [1,0,0,0,0,0|1,0,2]=4 310 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [1,0,0,0,0,0|1,0,2]=4 311 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [1,0,0,0,0,0|0,0,2]=3 312 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [1,0,0,0,0,0|1,0,2]=4 313 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [1,0,0,0,0,0|1,0,2]=4 314 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,0,0,0,0,0|2,0,1]=4 318 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [1,0,0,0,0,0|2,0,0]=3 322 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [1,0,0,0,0,0|3,0,0]=4 331 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [1,0,0,0,0,0|3,0,0]=4 332 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [1,0,0,0,0,0|3,0,0]=4 333 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [1,0,0,0,0,0|3,0,0]=4 336 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [1,0,0,0,0,0|2,0,0]=3 337 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [1,0,0,0,0,0|3,0,0]=4 338 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [1,0,0,0,0,0|3,0,0]=4 339 B11R1.86 CC(C)Sc1cccnc1Br 62a_100000210206_100010202626 [1,0,0,0,0,0|3,0,0]=4 340 B11R1.86 CC(C)Sc1cccnc1Br 62a_100010202626_100000210206 [1,0,0,0,0,0|3,0,0]=4 341 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [1,0,0,0,0,0|3,0,0]=4 342 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [1,0,0,0,0,0|3,0,0]=4 343 B11R1.86 CC(C)Sc1cccnc1F 62a_100000210206_100009816115 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.86 CC(C)Sc1cccnc1F 62a_100009816115_100000210206 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.86 CC(C)Sc1cccnc1N 62a_100000045569_100000210206 [1,0,0,0,0,0|3,0,0]=4 346 B11R1.86 CC(C)Sc1cccnc1N 62a_100000210206_100000045569 [1,0,0,0,0,0|3,0,0]=4 347 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [1,0,0,0,0,0|2,0,0]=3 349 B11R1.86 CC(C)Sc1cncnc1O 62a_100000210206_100000751107 [1,0,0,0,0,0|3,0,0]=4 350 B11R1.86 CC(C)Sc1cncnc1O 62a_100000751107_100000210206 [1,0,0,0,0,0|3,0,0]=4 351 B11R1.86 CC(C)Sc1ncc[nH]c1=O 62a_100000210206_100000763361 [1,0,0,0,0,0|1,0,2]=4 352 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [1,0,0,0,0,0|3,0,0]=4 353 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [1,0,0,0,0,0|3,0,0]=4 354 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [1,0,0,0,0,0|3,0,0]=4 355 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [1,0,0,0,0,0|3,0,0]=4 356 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [1,0,0,0,0,0|3,0,0]=4 357 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [1,0,0,0,0,0|3,0,0]=4 360 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [1,0,0,0,0,0|2,0,0]=3 361 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [1,0,0,0,0,0|2,0,0]=3 362 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [1,0,0,0,0,0|2,0,0]=3 363 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [1,0,0,0,0,0|2,0,0]=3 364 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [1,0,0,0,0,0|2,0,0]=3 365 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [1,0,0,0,0,0|2,0,0]=3 366 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [1,0,0,0,0,0|2,0,0]=3 367 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [1,0,0,0,0,0|2,0,0]=3 368 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,0,0,0,0,0|3,0,0]=4 369 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,0,0,0,0,0|3,0,0]=4 371 B11R1.86 CN(C)Cc1cccnc1Br 2230a_100102631434_100010140945 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.86 CN(C)Cc1cccnc1Br 269982a_100102631434_100010140945 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_100102631434_100000045678 [1,0,0,0,0,0|3,0,0]=4 374 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_103496529121_200000210301 [1,0,0,0,0,0|3,0,0]=4 375 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_100102631434_100000045678 [1,0,0,0,0,0|3,0,0]=4 376 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_103496529121_200000210301 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.86 CN(C)Cc1cccnc1F 2230a_100102631434_100000099810 [1,0,0,0,0,0|3,0,0]=4 378 B11R1.86 CN(C)Cc1cccnc1F 269982a_100102631434_100000099810 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [1,0,0,0,0,0|2,0,0]=3 380 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [1,0,0,0,0,0|3,0,0]=4 383 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [1,0,0,0,0,0|3,0,0]=4 384 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [1,0,0,0,0,0|3,0,0]=4 386 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [1,0,0,0,0,0|3,0,0]=4 387 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [1,0,0,0,0,0|3,0,0]=4 388 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,0,0,0,0,0|3,0,0]=4 389 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,0,0,0,0,0|3,0,0]=4 390 B11R1.86 CN([13CH3])Cc1cccnc1Cl 2230a_103496529121_200025704644 [1,0,0,0,0,0|3,0,0]=4 391 B11R1.86 CN([13CH3])Cc1cccnc1Cl 269982a_103496529121_200025704644 [1,0,0,0,0,0|3,0,0]=4 392 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,0,0,0,0,0|3,0,0]=4 394 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,0,0,0,0,0|3,0,0]=4 399 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [1,0,0,0,0,0|2,0,0]=3 406 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [1,0,0,0,0,0|2,0,0]=3 407 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [1,0,0,0,0,0|2,0,0]=3 408 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [1,0,0,0,0,0|2,0,0]=3 409 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [1,0,0,0,0,0|2,0,0]=3 410 B11R1.86 Cc1ccnnc1NC(C)C 27a_100138425928_100000089043 [1,0,0,0,0,0|3,0,0]=4 411 B11R1.86 Cc1ccnnc1SC(C)C 62a_100000210206_100000089043 [1,0,0,0,0,0|3,0,0]=4 412 B11R1.86 Cc1cncnc1NC(C)C 27a_100138425928_100011998708 [1,0,0,0,0,0|3,0,0]=4 413 B11R1.86 Cc1cncnc1SC(C)C 62a_100000210206_100011998708 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.86 Cc1cncnc1SC(C)C 62a_100011998708_100000210206 [1,0,0,0,0,0|3,0,0]=4 415 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [1,0,0,0,0,0|2,0,0]=3 416 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [1,0,0,0,0,0|2,0,0]=3 417 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [1,0,0,0,0,0|2,0,0]=3 418 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [1,0,0,0,0,0|2,0,0]=3 419 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [1,0,0,0,0,0|2,0,0]=3 420 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [1,0,0,0,0,0|2,0,0]=3 421 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [1,0,0,0,0,0|2,0,0]=3 423 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [1,0,0,0,0,0|2,0,0]=3 424 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [1,0,0,0,0,0|2,0,0]=3 425 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [1,0,0,0,0,0|2,0,0]=3 426 B11R1.86 Cc1nccnc1CN(C)C 270004a_100102631434_100000050726 [1,0,0,0,0,0|1,0,0]=2 427 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [1,0,0,0,0,0|1,0,0]=2 428 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [1,0,0,0,0,0|1,0,0]=2 429 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [1,0,0,0,0,0|1,0,0]=2 430 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [1,0,0,0,0,0|1,0,0]=2 431 B11R1.86 Cc1ncncc1SC(C)C 62a_100000210206_100009819671 [1,0,0,0,0,0|3,0,0]=4 432 B11R1.86 Cc1ncncc1SC(C)C 62a_100009819671_100000210206 [1,0,0,0,0,0|3,0,0]=4 433 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200010177600_200025704644 [0,1,0,0,0,0|2,1,0]=4 434 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177600 [0,1,0,0,0,0|2,1,0]=4 435 B13R1.51 CCc1nc(ccc1OC(C)C)C 34a_100000718140_100000210206 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.51 CCc1nc(ccc1OC(C)C)C 7a_100000718140_100000210206 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.51 COc1cc(ccc1CN(C)C)Br 2230a_100102631434_100012359436 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.51 COc1cc(ccc1CN(C)C)Br 269982a_100102631434_100012359436 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.51 COc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000697075 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.51 COc1cc(ccc1CN(C)C)C 270004a_100102631434_100000689369 [0,1,0,0,0,0|3,0,0]=4 441 B13R1.51 COc1cc(ccc1CN(C)C)Cl 270004a_100102631434_100000235374 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.51 COc1cc(ccc1CN(C)C)F 2230a_100102631434_200010171551 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.51 COc1cc(ccc1CN(C)C)F 269982a_100102631434_200010171551 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.51 COc1cc(ccc1CN(C)C)F 270004a_100102631434_100000042785 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.51 COc1cc(ccc1NC(C)C)Br 34a_100011279103_100000210206 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.51 COc1cc(ccc1NC(C)C)C 2230a_100000746441_100000210206 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.51 COc1cc(ccc1NC(C)C)C 34a_100000746441_100000210206 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.51 COc1cc(ccc1NC(C)C)Cl 34a_100000707585_100000210206 [0,1,0,0,0,0|3,0,0]=4 449 B13R1.51 COc1cc(ccc1NC(C)C)F 34a_100000737216_100000210206 [0,1,0,0,0,0|3,0,0]=4 450 B13R1.51 COc1cc(ccc1NC(C)C)I 34a_100015196925_100000210206 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.51 COc1cc(ccc1NC(C)C)O 34a_100015326901_100000210206 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.51 COc1cc(ccc1OC(C)C)Br 34a_100000694246_100000210206 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.51 COc1cc(ccc1OC(C)C)Br 7a_100000694246_100000210206 [0,1,0,0,0,0|3,0,0]=4 454 B13R1.51 COc1cc(ccc1OC(C)C)C 34a_100000186466_100000210206 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.51 COc1cc(ccc1OC(C)C)Cl 34a_100000033002_100000210206 [0,1,0,0,0,0|3,0,0]=4 456 B13R1.51 COc1cc(ccc1OC(C)C)F 34a_100000036057_100000210206 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.51 COc1cc(ccc1OC(C)C)F 7a_100000036057_100000210206 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.51 COc1cc(ccc1OC(C)C)I 34a_100000049635_100000210206 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.51 COc1cc(ccc1OC(C)C)N 34a_100000726020_100000210206 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.51 COc1cc(ccc1OC(C)C)O 271570a_203496583355_100012354883 [0,1,0,0,0,0|3,0,0]=4 461 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100000210206_100010245111 [0,1,0,0,0,0|3,0,0]=4 462 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100010245111_100000210206 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100000210206_100010200004 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100010200004_100000210206 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000050115_100000210206 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000210206_100000050115 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000210206_100000757151 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000757151_100000210206 [0,1,0,0,0,0|3,0,0]=4 469 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000210206_100000765947 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000765947_100000210206 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.51 COc1cc(ccc1SC(C)C)O 62a_100000210206_100011827694 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.51 COc1cc(cnc1C=C(C)C)C 271570a_100102525489_200000118316 [0,1,0,0,0,0|1,0,2]=4 473 B13R1.51 COc1cc(cnc1C=C(C)C)F 271570a_100102525489_100009867738 [0,1,0,0,0,0|1,0,2]=4 474 B13R1.51 COc1cc(cnc1C=C(C)C)N 271570a_100102525489_100000097218 [0,1,0,0,0,0|1,0,2]=4 475 B13R1.51 COc1cc(cnc1CN(C)C)Br 270004a_100102631434_100010246152 [0,1,0,0,0,0|2,0,0]=3 476 B13R1.51 COc1cc(cnc1OC(C)C)Cl 34a_200009845368_100000210206 [0,1,0,0,0,0|2,0,0]=3 477 B13R1.51 COc1cc(cnc1SC(C)C)C 62a_100000210206_200000118316 [0,1,0,0,0,0|2,0,0]=3 478 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100000210206_100009867738 [0,1,0,0,0,0|2,0,0]=3 479 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100010136273_100000210206 [0,1,0,0,0,0|2,0,0]=3 480 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_100000210206_100000097218 [0,1,0,0,0,0|2,0,0]=3 481 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_200010291755_100000210206 [0,1,0,0,0,0|2,0,0]=3 482 B13R1.51 COc1nc(ccc1C=C(C)C)C 271570a_100102525489_100010138632 [0,1,0,0,0,0|1,0,2]=4 483 B13R1.51 COc1nc(ccc1C=C(C)C)N 271570a_100102525489_100010187630 [0,1,0,0,0,0|1,0,2]=4 484 B13R1.51 COc1nc(ccc1CC(=O)C)Br 1458a_100000070787_100016029037 [0,1,0,0,0,0|2,0,1]=4 485 B13R1.51 COc1nc(ccc1CN(C)C)Br 2230a_100102631434_100016029037 [0,1,0,0,0,0|2,0,0]=3 486 B13R1.51 COc1nc(ccc1CN(C)C)Br 269982a_100102631434_100016029037 [0,1,0,0,0,0|2,0,0]=3 487 B13R1.51 COc1nc(ccc1OC(C)C)Br 34a_100010893133_100000210206 [0,1,0,0,0,0|2,0,0]=3 488 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100000210206_100010138632 [0,1,0,0,0,0|2,0,0]=3 489 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100010138632_100000210206 [0,1,0,0,0,0|2,0,0]=3 490 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100000210206_100010187630 [0,1,0,0,0,0|2,0,0]=3 491 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100010187630_100000210206 [0,1,0,0,0,0|2,0,0]=3 492 B13R1.51 COc1nc(cnc1C=C(C)C)Br 271570a_100102525489_100010214903 [0,1,0,0,0,0|0,0,2]=3 493 B13R1.51 COc1nc(cnc1C=C(C)C)N 271570a_100102525489_100010128448 [0,1,0,0,0,0|0,0,2]=3 494 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100000210206_100010214903 [0,1,0,0,0,0|1,0,0]=2 495 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100010214903_100000210206 [0,1,0,0,0,0|1,0,0]=2 496 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100000210206_100010128448 [0,1,0,0,0,0|1,0,0]=2 497 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100010128448_100000210206 [0,1,0,0,0,0|1,0,0]=2 498 B13R1.51 COc1nc(ncc1SC(C)C)Cl 62a_100000210206_200010294032 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.51 COc1nc(ncc1SC(C)C)Cl 62a_200010294032_100000210206 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.51 COc1nc(ncc1SC(C)C)N 62a_100000210206_100010240410 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.51 COc1nc(ncc1SC(C)C)N 62a_100010240410_100000210206 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.51 CSc1cc(cnc1NC(C)C)C 27a_100138425928_100010884634 [0,1,0,0,0,0|2,1,0]=4 503 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200000210301_200010177600 [0,1,0,0,0,0|2,1,0]=4 504 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200010177600_200000210301 [0,1,0,0,0,0|2,1,0]=4 505 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200000210301_200012348018 [0,1,0,0,0,0|2,1,0]=4 506 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200012348018_200000210301 [0,1,0,0,0,0|2,1,0]=4 507 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100000210206_100010884634 [0,1,0,0,0,0|2,1,0]=4 508 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100010884634_100000210206 [0,1,0,0,0,0|2,1,0]=4 509 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200012348018_200025704644 [0,1,0,0,0,0|2,1,0]=4 510 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200025704644_200012348018 [0,1,0,0,0,0|2,1,0]=4 511 B13R1.89 CC(C)N(C)c1nccnc1C#N 27a_200000211004_100000040484 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.89 CCc1nccnc1C(=C(C)C)C 271570a_200000049429_100011995844 [0,1,0,0,0,0|1,0,2]=4 513 B13R1.89 CCc1nccnc1N(C)C(C)C 27a_200000211004_100011995844 [0,1,0,0,0,0|2,0,0]=3 514 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 34a_200011376111_200025704644 [0,1,0,0,0,0|2,0,1]=4 515 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 7a_200011376111_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B13R1.89 CNc1nccnc1C(=C(C)C)C 271570a_200000049429_100011529439 [0,1,0,0,0,0|1,0,2]=4 517 B13R1.89 COc1ccccc1C(=O)C(C)C 1458a_100000185835_100000210206 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.89 COc1ccccc1C(C)N(C)C 2230a_100015187102_200000210301 [0,1,0,0,0,0|3,0,0]=4 519 B13R1.89 COc1ccccc1C(C)N(C)C 269982a_100015187102_200000210301 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.89 COc1ccccc1C(C)N(C)[13CH3] 2230a_100015187102_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.89 COc1ccccc1C(C)N(C)[13CH3] 269982a_100015187102_200025704644 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.89 COc1ccccc1N(C)C(C)C 2230a_100000219746_100000210206 [0,1,0,0,0,0|3,0,0]=4 523 B13R1.89 COc1ccccc1N(C)C(C)C 269982a_100000219746_100000210206 [0,1,0,0,0,0|3,0,0]=4 524 B13R1.89 COc1ccccc1N(C)C(C)C 34a_100000219746_100000210206 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.89 COc1cccnc1C(=C(C)C)C 271570a_200000049429_100000690851 [0,1,0,0,0,0|1,0,2]=4 526 B13R1.89 COc1cccnc1C(=O)N(C)C 34a_200011376111_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.89 COc1cccnc1C(=O)N(C)C 7a_200011376111_200000210301 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.89 COc1cncnc1N(C)C(C)C 27a_200000211004_100012001275 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.89 COc1ncccc1C(=C(C)C)C 271570a_200000049429_100000047025 [0,1,0,0,0,0|1,0,2]=4 530 B13R1.89 COc1nccnc1C(=C(C)C)C 271570a_200000049429_100000749998 [0,1,0,0,0,0|0,0,2]=3 531 B13R1.89 COc1nccnc1N(C)C(C)C 27a_200000211004_100009858322 [0,1,0,0,0,0|1,0,0]=2 532 B13R1.91 C#CC(C)Nc1nccnc1CC 27a_100000707721_100011995844 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.91 C#CC(C)Nc1nccnc1OC 27a_100000707721_100009858322 [0,1,0,0,0,0|1,0,1]=3 534 B13R1.91 C#CC(C)Oc1cccnc1OC 34a_100000698397_200000035995 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.91 C#CC(C)Oc1ncccc1OC 34a_100025773188_200000035995 [0,1,0,0,0,0|2,0,1]=4 536 B13R1.91 C#CC(C)Sc1cccnc1OC 62a_200000035995_100000047025 [0,1,0,0,0,0|2,0,1]=4 537 B13R1.91 C#CC(C)Sc1ncccc1OC 62a_200000035995_100000690851 [0,1,0,0,0,0|2,0,1]=4 538 B13R1.91 C#CC(C)Sc1nccnc1CC 62a_200000035995_100011995844 [0,1,0,0,0,0|2,0,1]=4 539 B13R1.91 C#CC(C)Sc1nccnc1NC 62a_200000035995_100011529439 [0,1,0,0,0,0|2,0,1]=4 540 B13R1.91 C#CC(C)Sc1nccnc1OC 62a_200000035995_100000749998 [0,1,0,0,0,0|1,0,1]=3 541 B13R1.91 C=CC(C)Sc1cccnc1OC 62a_100011215867_100000047025 [0,1,0,0,0,0|2,0,1]=4 542 B13R1.91 C=CC(C)Sc1ncccc1OC 62a_100011215867_100000690851 [0,1,0,0,0,0|2,0,1]=4 543 B13R1.91 C=CC(C)Sc1nccnc1CC 62a_100011215867_100011995844 [0,1,0,0,0,0|2,0,1]=4 544 B13R1.91 C=CC(C)Sc1nccnc1NC 62a_100011215867_100011529439 [0,1,0,0,0,0|2,0,1]=4 545 B13R1.91 C=CC(C)Sc1nccnc1OC 62a_100011215867_100000749998 [0,1,0,0,0,0|1,0,1]=3 546 B13R1.91 CC(CO)Sc1nccnc1C#N 62a_100012180447_100000040484 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.91 CC(CO)Sc1nccnc1C=O 62a_100012180447_100000051000 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.91 CC(CO)Sc1nccnc1CN 62a_100012180447_100000729963 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.91 CC(CO)Sc1nccnc1CO 62a_100012180447_100000057004 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.91 CC(CO)Sc1nccnc1NN 62a_100012180447_100000755098 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.91 CCC(=O)Cc1cccnc1OC 1458a_100000210414_100020631285 [0,1,0,0,0,0|2,0,1]=4 552 B13R1.91 CCC(C)Nc1ccccc1OC 34a_100000210025_100011215416 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.91 CCC(C)Oc1ccccc1OC 34a_100000210385_100011215416 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.91 CCC(C)Oc1cccnc1OC 34a_100000698397_100011215416 [0,1,0,0,0,0|2,0,0]=3 555 B13R1.91 CCC(C)Oc1cccnc1OC 7a_100000698397_100000758301 [0,1,0,0,0,0|2,0,0]=3 556 B13R1.91 CCC(C)Oc1ncccc1OC 34a_100025773188_100011215416 [0,1,0,0,0,0|2,0,0]=3 557 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000210334_100000758301 [0,1,0,0,0,0|3,0,0]=4 558 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000758301_100000210334 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.91 CCC(C)Sc1cccnc1NC 62a_100000700899_100000758301 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.91 CCC(C)Sc1cccnc1NC 62a_100000758301_100000700899 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000047025_100000758301 [0,1,0,0,0,0|2,0,0]=3 562 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000758301_100000047025 [0,1,0,0,0,0|2,0,0]=3 563 B13R1.91 CCC(C)Sc1cccnc1SC 62a_100000758301_100011465278 [0,1,0,0,0,0|2,1,0]=4 564 B13R1.91 CCC(C)Sc1cccnc1SC 62a_100011465278_100000758301 [0,1,0,0,0,0|2,1,0]=4 565 B13R1.91 CCC(C)Sc1cncnc1OC 62a_100000719902_100000758301 [0,1,0,0,0,0|3,0,0]=4 566 B13R1.91 CCC(C)Sc1cncnc1OC 62a_100000758301_100000719902 [0,1,0,0,0,0|3,0,0]=4 567 B13R1.91 CCC(C)Sc1ncccc1NC 62a_100000758301_200011806188 [0,1,0,0,0,0|3,0,0]=4 568 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000758301_100000690851 [0,1,0,0,0,0|2,0,0]=3 569 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000767102_100000758301 [0,1,0,0,0,0|2,0,0]=3 570 B13R1.91 CCC(C)Sc1nccnc1C#N 62a_100000758301_100000040484 [0,1,0,0,0,0|3,0,0]=4 571 B13R1.91 CCC(C)Sc1nccnc1C=O 62a_100000051000_100000758301 [0,1,0,0,0,0|3,0,0]=4 572 B13R1.91 CCC(C)Sc1nccnc1C=O 62a_100000758301_100000051000 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000729963_100000758301 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000758301_100000729963 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000057004_100000758301 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000758301_100000057004 [0,1,0,0,0,0|3,0,0]=4 577 B13R1.91 CCC(C)Sc1nccnc1NC 62a_100000758301_100011529439 [0,1,0,0,0,0|2,0,0]=3 578 B13R1.91 CCC(C)Sc1nccnc1NN 62a_100000758301_100000755098 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100000758301_100000749998 [0,1,0,0,0,0|1,0,0]=2 580 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100009858322_100000758301 [0,1,0,0,0,0|1,0,0]=2 581 B13R1.91 CCC(C)Sc1ncncc1OC 62a_100000758301_100012001275 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.91 CCC(C)Sc1ncncc1OC 62a_100012001275_100000758301 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000184376_100000210202 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000225621_100000210004 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000184376_100000204670 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000225621_100000210004 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.91 CCN(C)Cc1cccnc1OC 2230a_100000225621_100020631285 [0,1,0,0,0,0|2,0,0]=3 588 B13R1.91 CCc1ncccc1SC(C)CC 62a_100000758301_100009877225 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.91 CCc1ncccc1SC(C)CC 62a_100009877225_100000758301 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.91 CCc1ncccc1SC(C)CO 62a_100012180447_100009877225 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009877225_100009879195 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009879195_100009877225 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100009877225_100016084084 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100016084084_100009877225 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.91 CCc1nccnc1N[C@H](C)CF 27a_100102880703_100011995844 [0,1,0,0,0,0|2,0,0]=3 596 B13R1.91 CCc1nccnc1N[C@H](C)CO 27a_100000737577_100011995844 [0,1,0,0,0,0|2,0,0]=3 597 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100000703298_100011995844 [0,1,0,0,0,0|2,0,1]=4 598 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100011995844_100000703298 [0,1,0,0,0,0|2,0,1]=4 599 B13R1.91 CCc1nccnc1SC(C)CC 62a_100000758301_100011995844 [0,1,0,0,0,0|2,0,0]=3 600 B13R1.91 CCc1nccnc1SC(C)CC 62a_100011995844_100000758301 [0,1,0,0,0,0|2,0,0]=3 601 B13R1.91 CCc1nccnc1SC(C)CO 62a_100012180447_100011995844 [0,1,0,0,0,0|2,0,0]=3 602 B13R1.91 CCc1nccnc1SC(C)OC 62a_100009879195_100011995844 [0,1,0,0,0,0|2,0,0]=3 603 B13R1.91 CCc1nccnc1SC(C)OC 62a_100011995844_100009879195 [0,1,0,0,0,0|2,0,0]=3 604 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100011995844_100016084084 [0,1,0,0,0,0|2,0,0]=3 605 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100016084084_100011995844 [0,1,0,0,0,0|2,0,0]=3 606 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,1,0,0,0,0|2,0,0]=3 607 B13R1.91 CNc1cccnc1SC(C)CO 62a_100012180447_200011806188 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.91 CNc1cccnc1SC(C)OC 62a_100009879195_200011806188 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.91 CNc1cccnc1S[C@H](C)CO 62a_100016084084_200011806188 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.91 CNc1ncccc1SC(C)CO 62a_100012180447_100000700899 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.91 CNc1ncccc1SC(C)OC 62a_100000700899_100009879195 [0,1,0,0,0,0|3,0,0]=4 612 B13R1.91 CNc1ncccc1SC(C)OC 62a_100009879195_100000700899 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.91 CNc1ncccc1S[C@H](C)CO 62a_100000700899_100016084084 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.91 CNc1ncccc1S[C@H](C)CO 62a_100016084084_100000700899 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.91 CNc1nccnc1SC(C)C#N 62a_100000703298_100011529439 [0,1,0,0,0,0|2,0,1]=4 616 B13R1.91 CNc1nccnc1SC(C)CO 62a_100012180447_100011529439 [0,1,0,0,0,0|2,0,0]=3 617 B13R1.91 CNc1nccnc1SC(C)OC 62a_100009879195_100011529439 [0,1,0,0,0,0|2,0,0]=3 618 B13R1.91 CNc1nccnc1S[C@H](C)CO 62a_100016084084_100011529439 [0,1,0,0,0,0|2,0,0]=3 619 B13R1.91 COC(C)Sc1cccnc1SC 62a_100009879195_100011465278 [0,1,0,0,0,0|2,1,0]=4 620 B13R1.91 COC(C)Sc1cccnc1SC 62a_100011465278_100009879195 [0,1,0,0,0,0|2,1,0]=4 621 B13R1.91 COC(C)Sc1nccnc1C#N 62a_100009879195_100000040484 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.91 COC(C)Sc1nccnc1C=O 62a_100000051000_100009879195 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.91 COC(C)Sc1nccnc1C=O 62a_100009879195_100000051000 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.91 COC(C)Sc1nccnc1CN 62a_100000729963_100009879195 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.91 COC(C)Sc1nccnc1CN 62a_100009879195_100000729963 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.91 COC(C)Sc1nccnc1CO 62a_100000057004_100009879195 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.91 COC(C)Sc1nccnc1CO 62a_100009879195_100000057004 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.91 COC(C)Sc1nccnc1NN 62a_100009879195_100000755098 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,1,0,0,0,0|2,0,0]=3 630 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,1,0,0,0,0|2,0,0]=3 631 B13R1.91 COc1ccccc1CN(C)CF 269982a_100000184376_100015361967 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.91 COc1ccccc1NC(C)CO 34a_100000210025_100012180447 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.91 COc1ccccc1OC(C)CO 34a_100000210385_100012180447 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.91 COc1ccccc1SC(C)CO 62a_100012180447_100000210334 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.91 COc1ccccc1SC(C)OC 62a_100000210334_100009879195 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.91 COc1ccccc1SC(C)OC 62a_100009879195_100000210334 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100000210334_100016084084 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100016084084_100000210334 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.91 COc1cccnc1OC(C)CO 34a_100025773188_100012180447 [0,1,0,0,0,0|2,0,0]=3 640 B13R1.91 COc1cccnc1SC(C)C#N 62a_100000703298_100000690851 [0,1,0,0,0,0|2,0,1]=4 641 B13R1.91 COc1cccnc1SC(C)C#N 62a_100000767102_100000703298 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.91 COc1cccnc1SC(C)CO 62a_100012180447_100000690851 [0,1,0,0,0,0|2,0,0]=3 643 B13R1.91 COc1cccnc1SC(C)OC 62a_100000767102_100009879195 [0,1,0,0,0,0|2,0,0]=3 644 B13R1.91 COc1cccnc1SC(C)OC 62a_100009879195_100000690851 [0,1,0,0,0,0|2,0,0]=3 645 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100000767102_100016084084 [0,1,0,0,0,0|2,0,0]=3 646 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100016084084_100000690851 [0,1,0,0,0,0|2,0,0]=3 647 B13R1.91 COc1cncnc1N[C@H](C)CF 27a_100102880703_100012001275 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.91 COc1cncnc1N[C@H](C)CO 27a_100000737577_100012001275 [0,1,0,0,0,0|3,0,0]=4 649 B13R1.91 COc1cncnc1SC(C)CO 62a_100012180447_100012001275 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.91 COc1cncnc1SC(C)OC 62a_100009879195_100012001275 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.91 COc1cncnc1SC(C)OC 62a_100012001275_100009879195 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.91 COc1cncnc1S[C@H](C)CO 62a_100012001275_100016084084 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.91 COc1cncnc1S[C@H](C)CO 62a_100016084084_100012001275 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.91 COc1ncccc1CC(=O)CO 1458a_100000210174_100020631285 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.91 COc1ncccc1OC(C)C#N 7a_100000698397_100000703298 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.91 COc1ncccc1OC(C)CO 34a_100000698397_100012180447 [0,1,0,0,0,0|2,0,0]=3 657 B13R1.91 COc1ncccc1OC(C)CO 7a_100000698397_100012180447 [0,1,0,0,0,0|2,0,0]=3 658 B13R1.91 COc1ncccc1SC(C)C#N 62a_100000047025_100000703298 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.91 COc1ncccc1SC(C)C#N 62a_100000703298_100000047025 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.91 COc1ncccc1SC(C)CO 62a_100012180447_100000047025 [0,1,0,0,0,0|2,0,0]=3 661 B13R1.91 COc1ncccc1SC(C)OC 62a_100000047025_100009879195 [0,1,0,0,0,0|2,0,0]=3 662 B13R1.91 COc1ncccc1SC(C)OC 62a_100009879195_100000047025 [0,1,0,0,0,0|2,0,0]=3 663 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100000047025_100016084084 [0,1,0,0,0,0|2,0,0]=3 664 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100016084084_100000047025 [0,1,0,0,0,0|2,0,0]=3 665 B13R1.91 COc1nccnc1N[C@H](C)CF 27a_100102880703_100009858322 [0,1,0,0,0,0|1,0,0]=2 666 B13R1.91 COc1nccnc1N[C@H](C)CO 27a_100000737577_100009858322 [0,1,0,0,0,0|1,0,0]=2 667 B13R1.91 COc1nccnc1SC(C)C#N 62a_100000703298_100000749998 [0,1,0,0,0,0|1,0,1]=3 668 B13R1.91 COc1nccnc1SC(C)C#N 62a_100009858322_100000703298 [0,1,0,0,0,0|1,0,1]=3 669 B13R1.91 COc1nccnc1SC(C)CO 62a_100012180447_100000749998 [0,1,0,0,0,0|1,0,0]=2 670 B13R1.91 COc1nccnc1SC(C)OC 62a_100009858322_100009879195 [0,1,0,0,0,0|1,0,0]=2 671 B13R1.91 COc1nccnc1SC(C)OC 62a_100009879195_100000749998 [0,1,0,0,0,0|1,0,0]=2 672 B13R1.91 COc1nccnc1SC(F)C#N 62a_100009858322_200000117898 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.91 COc1nccnc1SC(F)C#N 62a_200000117898_100000749998 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100009858322_100016084084 [0,1,0,0,0,0|1,0,0]=2 675 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100016084084_100000749998 [0,1,0,0,0,0|1,0,0]=2 676 B13R1.91 COc1ncncc1SC(C)CO 62a_100012180447_100000719902 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.91 COc1ncncc1SC(C)OC 62a_100000719902_100009879195 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.91 COc1ncncc1SC(C)OC 62a_100009879195_100000719902 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.91 COc1ncncc1S[C@H](C)CO 62a_100000719902_100016084084 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.91 COc1ncncc1S[C@H](C)CO 62a_100016084084_100000719902 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.91 CSc1ncccc1SC(C)CO 62a_100012180447_100011465278 [0,1,0,0,0,0|2,1,0]=4 682 B13R1.91 CSc1ncccc1S[C@H](C)CO 62a_100011465278_100016084084 [0,1,0,0,0,0|2,1,0]=4 683 B13R1.91 CSc1ncccc1S[C@H](C)CO 62a_100016084084_100011465278 [0,1,0,0,0,0|2,1,0]=4 684 B13R1.91 C[C@H](CF)Nc1nccnc1C#N 27a_100102880703_100000040484 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.91 C[C@H](CO)Nc1nccnc1C#N 27a_100000737577_100000040484 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.91 C[C@H](CO)Sc1nccnc1C#N 62a_100016084084_100000040484 [0,1,0,0,0,0|3,0,0]=4 687 B13R1.91 C[C@H](CO)Sc1nccnc1C=O 62a_100000051000_100016084084 [0,1,0,0,0,0|3,0,0]=4 688 B13R1.91 C[C@H](CO)Sc1nccnc1C=O 62a_100016084084_100000051000 [0,1,0,0,0,0|3,0,0]=4 689 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100000729963_100016084084 [0,1,0,0,0,0|3,0,0]=4 690 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100016084084_100000729963 [0,1,0,0,0,0|3,0,0]=4 691 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100000057004_100016084084 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100016084084_100000057004 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.91 C[C@H](CO)Sc1nccnc1NN 62a_100016084084_100000755098 [0,1,0,0,0,0|3,0,0]=4 694 B13R1.115 COc1c(cccc1CN(C)C)Br 2230a_100102631434_100011470457 [0,1,0,0,0,0|3,0,0]=4 695 B13R1.115 COc1c(cccc1CN(C)C)Br 269982a_100102631434_100011470457 [0,1,0,0,0,0|3,0,0]=4 696 B13R1.115 COc1c(cccc1CN(C)C)Br 270004a_100102631434_100000692592 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.115 COc1c(cccc1CN(C)C)C 2230a_100102631434_100012349798 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.115 COc1c(cccc1CN(C)C)C 269982a_100102631434_100012349798 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.115 COc1c(cccc1CN(C)C)C 270004a_100102631434_100011361485 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.115 COc1c(cccc1CN(C)C)Cl 270004a_100102631434_100011466644 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.115 COc1c(cccc1CN(C)C)F 270004a_100102631434_100011830294 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.115 COc1c(cccc1NC(C)C)Br 34a_100011935253_100000210206 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.115 COc1c(cccc1NC(C)C)C 34a_100012017360_100000210206 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.115 COc1c(cccc1NC(C)C)Cl 2230a_100000743799_100000210206 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.115 COc1c(cccc1NC(C)C)Cl 34a_100000743799_100000210206 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.115 COc1c(cccc1NC(C)C)F 34a_100011215007_100000210206 [0,1,0,0,0,0|3,0,0]=4 707 B13R1.115 COc1c(cccc1OC(C)C)Br 34a_100010234590_100000210206 [0,1,0,0,0,0|3,0,0]=4 708 B13R1.115 COc1c(cccc1OC(C)C)Cl 34a_200009886253_100000210206 [0,1,0,0,0,0|3,0,0]=4 709 B13R1.115 COc1c(cccc1OC(C)C)Cl 7a_200009886253_100000210206 [0,1,0,0,0,0|3,0,0]=4 710 B13R1.115 COc1c(cccc1SC(C)C)Br 62a_100000210206_100010146560 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.115 COc1c(cccc1SC(C)C)Br 62a_100010146560_100000210206 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.115 COc1c(cccc1SC(C)C)C 62a_100000210206_100010141385 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.115 COc1c(cccc1SC(C)C)C 62a_100010141385_100000210206 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.115 COc1c(cccc1SC(C)C)Cl 62a_100000210206_100010147678 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.115 COc1c(cccc1SC(C)C)Cl 62a_100010147678_100000210206 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.115 COc1c(cccc1SC(C)C)F 62a_100000210206_100009816759 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.115 COc1c(cccc1SC(C)C)F 62a_100009816759_100000210206 [0,1,0,0,0,0|3,0,0]=4 718 B13R1.115 COc1c(cccc1SC(C)C)N 62a_100011935253_100000210206 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.115 COc1c(cccc1SC(C)C)O 62a_100000210206_100010234590 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.115 COc1c(ccnc1C=C(C)C)N 271570a_100102525489_100000104429 [0,1,0,0,0,0|1,0,2]=4 721 B13R1.115 COc1c(ccnc1C=C(C)C)O 271570a_100102525489_100000104430 [0,1,0,0,0,0|1,0,2]=4 722 B13R1.115 COc1c(ccnc1CC(=O)C)Cl 1458a_100000070787_100015371371 [0,1,0,0,0,0|2,0,1]=4 723 B13R1.115 COc1c(ccnc1CN(C)C)Cl 2230a_100102631434_100015371371 [0,1,0,0,0,0|2,0,0]=3 724 B13R1.115 COc1c(ccnc1SC(C)C)N 62a_100000104429_100000210206 [0,1,0,0,0,0|2,0,0]=3 725 B13R1.115 COc1c(ccnc1SC(C)C)N 62a_100000210206_100000104429 [0,1,0,0,0,0|2,0,0]=3 726 B13R1.115 COc1c(ccnc1SC(C)C)O 62a_100000210206_100000104430 [0,1,0,0,0,0|2,0,0]=3 727 B13R1.115 COc1c(ncnc1NC(C)C)N 27a_100138425928_100011998528 [0,1,0,0,0,0|3,0,0]=4 728 B13R1.115 COc1c(ncnc1SC(C)C)N 62a_100000210206_100011998528 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.115 COc1c(ncnc1SC(C)C)N 62a_100011998528_100000210206 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 34a_100000708705_200025704644 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 7a_100000708705_200025704644 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.380 CC(C)Oc1ccccc1OCF 34a_100011218612_100015361967 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.380 CC(C)Oc1ccccc1OCF 7a_100011218612_100015361967 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.380 CC(C)Oc1ncccc1CN[13CH3] 2230a_100000740383_200025704644 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.380 CC(C)Oc1ncccc1SCF 62a_100015361967_200011465186 [0,1,0,0,0,0|2,1,0]=4 736 B13R1.380 CC(C)Oc1ncccc1SCF 62a_200011465186_100015361967 [0,1,0,0,0,0|2,1,0]=4 737 B13R1.380 CC=Cc1cccnc1OC(C)C 271570a_100016259895_200011465186 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.380 CCOc1ccccc1CN(C)C 2230a_100000742257_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.380 CCOc1ccccc1CN(C)C 269982a_100000742257_200000210301 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.380 CCOc1ccccc1CN(C)C 270004a_100102631434_100000169843 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 2230a_100000742257_200025704644 [0,1,0,0,0,0|3,0,0]=4 742 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 269982a_100000742257_200025704644 [0,1,0,0,0,0|3,0,0]=4 743 B13R1.380 CCOc1ccccc1NC(C)C 34a_100000211218_100000210206 [0,1,0,0,0,0|3,0,0]=4 744 B13R1.380 CCOc1ccccc1OC(C)C 34a_100000211404_100000210206 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.380 CCOc1ccccc1OC(C)C 34a_100011218612_100000210202 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.380 CCOc1ccccc1OC(C)C 7a_100000211404_100000210206 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.380 CCOc1ccccc1OC(C)C 7a_100011218612_100000210202 [0,1,0,0,0,0|3,0,0]=4 748 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000210206_100000230754 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000230754_100000210206 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.380 CCOc1cccnc1C=C(C)C 271570a_100102525489_100011597540 [0,1,0,0,0,0|1,0,2]=4 751 B13R1.380 CCOc1cccnc1CN(C)C 270004a_100102631434_100009876934 [0,1,0,0,0,0|2,0,0]=3 752 B13R1.380 CCOc1cccnc1SC(C)C 62a_100000210206_100011597540 [0,1,0,0,0,0|2,0,0]=3 753 B13R1.380 CCOc1cccnc1SC(C)C 62a_100011597540_100000210206 [0,1,0,0,0,0|2,0,0]=3 754 B13R1.380 CCOc1ncccc1C=C(C)C 271570a_100102525489_100011465154 [0,1,0,0,0,0|1,0,2]=4 755 B13R1.380 CCOc1ncccc1CN(C)C 270004a_100102631434_100011290805 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.380 CCOc1ncccc1OC(C)C 34a_100011998697_100000210206 [0,1,0,0,0,0|2,0,0]=3 757 B13R1.380 CCOc1ncccc1SC(C)C 62a_100000210206_100011465154 [0,1,0,0,0,0|2,0,0]=3 758 B13R1.380 CCOc1ncccc1SC(C)C 62a_100011465154_100000210206 [0,1,0,0,0,0|2,0,0]=3 759 B13R1.380 CCOc1nccnc1C=C(C)C 271570a_100102525489_200010128176 [0,1,0,0,0,0|0,0,2]=3 760 B13R1.380 CCOc1nccnc1NC(C)C 27a_100138425928_200010128176 [0,1,0,0,0,0|1,0,0]=2 761 B13R1.380 CCOc1nccnc1SC(C)C 62a_100000210206_200010128176 [0,1,0,0,0,0|1,0,0]=2 762 B13R1.380 CCOc1nccnc1SC(C)C 62a_200010128176_100000210206 [0,1,0,0,0,0|1,0,0]=2 763 B13R1.380 CCSc1cccnc1OC(C)C 62a_100000210202_200011465186 [0,1,0,0,0,0|2,1,0]=4 764 B13R1.380 CCSc1cccnc1OC(C)C 62a_200011465186_100000210202 [0,1,0,0,0,0|2,1,0]=4 765 B13R1.380 CNCc1cccnc1OC(C)C 207a_100102657272_100011290806 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.380 CNCc1cccnc1OC(C)C 2230a_100000740383_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B13R1.380 CNCc1cccnc1OC(C)C 270004a_106832991635_100011290806 [0,1,0,0,0,0|3,0,0]=4 768 B13R1.380 CNCc1cccnc1SC(C)C 62a_100000210206_103496529121 [0,1,0,0,0,0|3,0,0]=4 769 B13R1.380 CNCc1cccnc1SC(C)C 62a_103496529121_100000210206 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.380 COCc1ccccc1OC(C)C 34a_100000708705_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.380 COCc1ccccc1OC(C)C 34a_100011488565_100000210206 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.380 COCc1ccccc1OC(C)C 7a_100000708705_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.380 COCc1ccccc1OC(C)C 7a_100011488565_100000210206 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.380 COCc1ccccc1SC(C)C 62a_100000210206_100011493684 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.380 COCc1ccccc1SC(C)C 62a_100011493684_100000210206 [0,1,0,0,0,0|3,0,0]=4 776 B13R1.589 C=C(C)c1cccnc1OC(C)C 271570a_100000694244_200011465186 [0,1,0,0,0,0|3,0,0]=4 777 B13R1.589 CC(=Cc1nccnc1N(C)C)C 271570a_100102525489_100000703087 [0,1,0,0,0,0|1,0,2]=4 778 B13R1.589 CC(=O)c1cccnc1NC(C)C 27a_100138425928_100009816689 [0,1,0,0,0,0|3,0,0]=4 779 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000210206_100000753718 [0,1,0,0,0,0|3,0,0]=4 780 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000753718_100000210206 [0,1,0,0,0,0|3,0,0]=4 781 B13R1.589 CC(=O)c1ncccc1OC(C)C 34a_100000087166_100000210206 [0,1,0,0,0,0|3,0,0]=4 782 B13R1.589 CC(=O)c1ncccc1OC(C)C 7a_100000087166_100000210206 [0,1,0,0,0,0|3,0,0]=4 783 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100000210206_100012348690 [0,1,0,0,0,0|3,0,0]=4 784 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100012348690_100000210206 [0,1,0,0,0,0|3,0,0]=4 785 B13R1.589 CC(=O)c1nccnc1C=C(C)C 271570a_100102525489_100000099859 [0,1,0,0,0,0|1,0,2]=4 786 B13R1.589 CC(=O)c1nccnc1NC(C)C 27a_100138425928_100000099859 [0,1,0,0,0,0|2,0,0]=3 787 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000099859_100000210206 [0,1,0,0,0,0|2,0,0]=3 788 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000210206_100000099859 [0,1,0,0,0,0|2,0,0]=3 789 B13R1.589 CC(C)Nc1nccnc1C(=O)N 27a_100138425928_100000094861 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.589 CC(C)Nc1nccnc1N(C)C 27a_100138425928_100000703087 [0,1,0,0,0,0|2,0,0]=3 791 B13R1.589 CC(C)Oc1cccnc1C(C)C 34a_100012183336_100000210206 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.589 CC(C)Oc1cccnc1C(C)C 7a_100012183336_100000210206 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.589 CC(C)Oc1nccnc1C(=O)N 34a_100011830332_100000210206 [0,1,0,0,0,0|3,0,0]=4 794 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100000210206_100159271932 [0,1,0,0,0,0|3,0,0]=4 795 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100159271932_100000210206 [0,1,0,0,0,0|3,0,0]=4 796 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100000210206_100011465059 [0,1,0,0,0,0|3,0,0]=4 797 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100011465059_100000210206 [0,1,0,0,0,0|3,0,0]=4 798 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100000210206_100013325542 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100013325542_100000210206 [0,1,0,0,0,0|3,0,0]=4 800 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_100000210206_200010382935 [0,1,0,0,0,0|3,0,0]=4 801 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_200010382935_100000210206 [0,1,0,0,0,0|3,0,0]=4 802 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100000210206_100009865335 [0,1,0,0,0,0|3,0,0]=4 803 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100009865335_100000210206 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000094861_100000210206 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000210206_100000094861 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.589 CC(C)Sc1nccnc1N(C)C 62a_100000210206_100000703087 [0,1,0,0,0,0|2,0,0]=3 807 B13R1.589 CC(C)c1cccnc1CN(C)C 2230a_100102631434_200134614246 [0,1,0,0,0,0|3,0,0]=4 808 B13R1.589 CC(C)c1cccnc1CN(C)C 269982a_100102631434_200134614246 [0,1,0,0,0,0|3,0,0]=4 809 B13R1.589 CN(C)Cc1cccnc1N(C)C 270004a_100102631434_100000731630 [0,1,0,0,0,0|3,0,0]=4 810 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_100011465193_200025704644 [0,1,0,0,0,0|2,1,0]=4 811 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_200025704644_100011465193 [0,1,0,0,0,0|2,1,0]=4 812 B13R1.622 CC(C)(C)Sc1nccnc1C#N 62a_100000211941_100000040484 [0,1,0,0,0,0|3,0,0]=4 813 B13R1.622 CC(C)(C)Sc1nccnc1C=O 62a_100000051000_100000211941 [0,1,0,0,0,0|3,0,0]=4 814 B13R1.622 CC(C)(C)Sc1nccnc1C=O 62a_100000211941_100000051000 [0,1,0,0,0,0|3,0,0]=4 815 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000211941_100000729963 [0,1,0,0,0,0|3,0,0]=4 816 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000729963_100000211941 [0,1,0,0,0,0|3,0,0]=4 817 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000057004_100000211941 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000211941_100000057004 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.622 CC(C)(C)Sc1nccnc1NN 62a_100000211941_100000755098 [0,1,0,0,0,0|3,0,0]=4 820 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_100161000475_200025704644 [0,1,0,0,0,0|2,1,0]=4 821 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_200025704644_100161000475 [0,1,0,0,0,0|2,1,0]=4 822 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100000211941_100009877225 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100009877225_100000211941 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100000211941_100011995844 [0,1,0,0,0,0|2,0,0]=3 825 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100011995844_100000211941 [0,1,0,0,0,0|2,0,0]=3 826 B13R1.622 CNc1cccnc1SC(C)(C)C 62a_100000211941_200011806188 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000211941_100000700899 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000700899_100000211941 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.622 CNc1nccnc1SC(C)(C)C 62a_100000211941_100011529439 [0,1,0,0,0,0|2,0,0]=3 830 B13R1.622 COc1ccccc1NC(C)(C)C 34a_100000210025_100000210625 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.622 COc1ccccc1OC(C)(C)C 34a_100000210385_100000210625 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000210334_100000211941 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000211941_100000210334 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.622 COc1cccnc1OC(C)(C)C 34a_100025773188_100000210625 [0,1,0,0,0,0|2,0,0]=3 835 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000211941_100000690851 [0,1,0,0,0,0|2,0,0]=3 836 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000767102_100000211941 [0,1,0,0,0,0|2,0,0]=3 837 B13R1.622 COc1cncnc1SC(C)(C)C 62a_100000211941_100012001275 [0,1,0,0,0,0|3,0,0]=4 838 B13R1.622 COc1cncnc1SC(C)(C)C 62a_100012001275_100000211941 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.622 COc1ncccc1OC(C)(C)C 34a_100000698397_100000210625 [0,1,0,0,0,0|2,0,0]=3 840 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000047025_100000211941 [0,1,0,0,0,0|2,0,0]=3 841 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000211941_100000047025 [0,1,0,0,0,0|2,0,0]=3 842 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100000211941_100000749998 [0,1,0,0,0,0|1,0,0]=2 843 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100009858322_100000211941 [0,1,0,0,0,0|1,0,0]=2 844 B13R1.622 COc1nccnc1SC(F)(F)F 62a_100009858322_200103152311 [0,1,0,0,0,0|3,0,0]=4 845 B13R1.622 COc1nccnc1SC(F)(F)F 62a_200000243211_100000749998 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.622 COc1ncncc1SC(C)(C)C 62a_100000211941_100000719902 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.622 COc1ncncc1SC(C)(C)C 62a_100000719902_100000211941 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_100161000475_200000210301 [0,1,0,0,0,0|2,1,0]=4 849 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_200000210301_100161000475 [0,1,0,0,0,0|2,1,0]=4 850 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_100011465193_200000210301 [0,1,0,0,0,0|2,1,0]=4 851 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_200000210301_100011465193 [0,1,0,0,0,0|2,1,0]=4 852 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100000211941_100011465278 [0,1,0,0,0,0|2,1,0]=4 853 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100011465278_100000211941 [0,1,0,0,0,0|2,1,0]=4 854 B13R1.2135 COc1cccc(c1CN(C)C)Br 270004a_100102631434_100009814803 [0,1,0,0,0,0|3,0,0]=4 855 B13R1.2135 COc1cccc(c1CN(C)C)C 270004a_100102631434_100000050978 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.2135 COc1cccc(c1CN(C)C)Cl 2230a_100102631434_100012349678 [0,1,0,0,0,0|3,0,0]=4 857 B13R1.2135 COc1cccc(c1CN(C)C)Cl 269982a_100102631434_100012349678 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.2135 COc1cccc(c1CN(C)C)Cl 270004a_100102631434_100000757644 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.2135 COc1cccc(c1CN(C)C)F 2230a_100102631434_100011216731 [0,1,0,0,0,0|3,0,0]=4 860 B13R1.2135 COc1cccc(c1CN(C)C)F 269982a_100102631434_100011216731 [0,1,0,0,0,0|3,0,0]=4 861 B13R1.2135 COc1cccc(c1CN(C)C)F 270004a_100102631434_100011216730 [0,1,0,0,0,0|3,0,0]=4 862 B13R1.2135 COc1cccc(c1NC(C)C)Br 34a_100000708083_100000210206 [0,1,0,0,0,0|3,0,0]=4 863 B13R1.2135 COc1cccc(c1NC(C)C)C 2230a_100000758225_100000210206 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.2135 COc1cccc(c1NC(C)C)C 34a_100000758225_100000210206 [0,1,0,0,0,0|3,0,0]=4 865 B13R1.2135 COc1cccc(c1NC(C)C)Cl 34a_100011309317_100000210206 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.2135 COc1cccc(c1NC(C)C)F 34a_100000686744_100000210206 [0,1,0,0,0,0|3,0,0]=4 867 B13R1.2135 COc1cccc(c1NC(C)C)O 34a_100012022766_100000210206 [0,1,0,0,0,0|3,0,0]=4 868 B13R1.2135 COc1cccc(c1OC(C)C)Br 34a_100000686866_100000210206 [0,1,0,0,0,0|3,0,0]=4 869 B13R1.2135 COc1cccc(c1OC(C)C)C 34a_100011219253_100000210206 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.2135 COc1cccc(c1OC(C)C)C 7a_100011219253_100000210206 [0,1,0,0,0,0|3,0,0]=4 871 B13R1.2135 COc1cccc(c1OC(C)C)Cl 34a_100009851661_100000210206 [0,1,0,0,0,0|3,0,0]=4 872 B13R1.2135 COc1cccc(c1OC(C)C)Cl 7a_100009851661_100000210206 [0,1,0,0,0,0|3,0,0]=4 873 B13R1.2135 COc1cccc(c1OC(C)C)F 34a_100000036725_100000210206 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.2135 COc1cccc(c1OC(C)C)F 7a_100000036725_100000210206 [0,1,0,0,0,0|3,0,0]=4 875 B13R1.2135 COc1cccc(c1OC(C)C)N 34a_100000123586_100000210206 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.2135 COc1cccc(c1SC(C)C)Br 62a_100000210206_100010131421 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.2135 COc1cccc(c1SC(C)C)Br 62a_100010131421_100000210206 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.2135 COc1cccc(c1SC(C)C)C 62a_100000210206_100010191535 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.2135 COc1cccc(c1SC(C)C)C 62a_100010191535_100000210206 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.2135 COc1cccc(c1SC(C)C)F 62a_100000210206_100000703912 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.2135 COc1cccc(c1SC(C)C)F 62a_100000703912_100000210206 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.2135 COc1cccc(c1SC(C)C)N 62a_100000210206_100000703447 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.2135 COc1cccc(c1SC(C)C)N 62a_100000703447_100000210206 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.2135 COc1cccc(c1SC(C)C)O 62a_100000210206_100010202623 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.2135 COc1nccc(c1C=C(C)C)C 271570a_100102525489_100012353928 [0,1,0,0,0,0|1,0,2]=4 886 B13R1.2135 COc1nccc(c1C=C(C)C)N 271570a_100102525489_100010243811 [0,1,0,0,0,0|1,0,2]=4 887 B13R1.2135 COc1nccc(c1CN(C)C)Cl 270004a_100102631434_100009849443 [0,1,0,0,0,0|2,0,0]=3 888 B13R1.2135 COc1nccc(c1SC(C)C)C 62a_100000210206_100012353928 [0,1,0,0,0,0|2,0,0]=3 889 B13R1.2135 COc1nccc(c1SC(C)C)C 62a_100012353928_100000210206 [0,1,0,0,0,0|2,0,0]=3 890 B13R1.2135 COc1nccc(c1SC(C)C)N 62a_100000210206_100010243811 [0,1,0,0,0,0|2,0,0]=3 891 B13R1.2135 COc1nccc(c1SC(C)C)N 62a_100010243811_100000210206 [0,1,0,0,0,0|2,0,0]=3 892 B13R1.2135 COc1ncnc(c1SC(C)C)C 62a_100000210206_100010110394 [0,1,0,0,0,0|3,0,0]=4 893 B13R1.2135 COc1ncnc(c1SC(C)C)C 62a_100010110394_100000210206 [0,1,0,0,0,0|3,0,0]=4 894 B13R1.3089 CC(C)Nc1nc(cnc1C#N)N 27a_100138425928_100000099870 [0,1,0,0,0,0|3,0,0]=4 895 B13R1.3089 CC(C)Sc1nc(cnc1C#N)N 62a_100000210206_100000099870 [0,1,0,0,0,0|3,0,0]=4 896 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100000210206_100013085292 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100013085292_100000210206 [0,1,0,0,0,0|3,0,0]=4 898 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100000690607_200000210301 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100102631434_100000204665 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100000690607_200000210301 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100102631434_100000204665 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.3089 COc1ccc(cc1CN(C)C)Br 270004a_100102631434_100000170026 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.3089 COc1ccc(cc1CN(C)C)C 2230a_100102631434_100000199068 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.3089 COc1ccc(cc1CN(C)C)C 269982a_100102631434_100000199068 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.3089 COc1ccc(cc1CN(C)C)C 270004a_100102631434_100000203738 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100000737271_200000210301 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100102631434_100000209806 [0,1,0,0,0,0|3,0,0]=4 908 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100000737271_200000210301 [0,1,0,0,0,0|3,0,0]=4 909 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100102631434_100000209806 [0,1,0,0,0,0|3,0,0]=4 910 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 270004a_100102631434_100000188328 [0,1,0,0,0,0|3,0,0]=4 911 B13R1.3089 COc1ccc(cc1CN(C)C)F 2230a_100102631434_100011830354 [0,1,0,0,0,0|3,0,0]=4 912 B13R1.3089 COc1ccc(cc1CN(C)C)F 269982a_100102631434_100011830354 [0,1,0,0,0,0|3,0,0]=4 913 B13R1.3089 COc1ccc(cc1CN(C)C)F 270004a_100102631434_100000722865 [0,1,0,0,0,0|3,0,0]=4 914 B13R1.3089 COc1ccc(cc1CN(C)C)I 270004a_100102631434_100011266407 [0,1,0,0,0,0|3,0,0]=4 915 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 2230a_100000690607_200025704644 [0,1,0,0,0,0|3,0,0]=4 916 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 269982a_100000690607_200025704644 [0,1,0,0,0,0|3,0,0]=4 917 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 2230a_100000737271_200025704644 [0,1,0,0,0,0|3,0,0]=4 918 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 269982a_100000737271_200025704644 [0,1,0,0,0,0|3,0,0]=4 919 B13R1.3089 COc1ccc(cc1NC(C)C)Br 34a_100000743470_100000210206 [0,1,0,0,0,0|3,0,0]=4 920 B13R1.3089 COc1ccc(cc1NC(C)C)C 2230a_100000210980_100000210206 [0,1,0,0,0,0|3,0,0]=4 921 B13R1.3089 COc1ccc(cc1NC(C)C)C 34a_100000210980_100000210206 [0,1,0,0,0,0|3,0,0]=4 922 B13R1.3089 COc1ccc(cc1NC(C)C)Cl 34a_100000182114_100000210206 [0,1,0,0,0,0|3,0,0]=4 923 B13R1.3089 COc1ccc(cc1NC(C)C)F 34a_100000757179_100000210206 [0,1,0,0,0,0|3,0,0]=4 924 B13R1.3089 COc1ccc(cc1OC(C)C)Br 34a_100009816560_100000210206 [0,1,0,0,0,0|3,0,0]=4 925 B13R1.3089 COc1ccc(cc1OC(C)C)Br 7a_100009816560_100000210206 [0,1,0,0,0,0|3,0,0]=4 926 B13R1.3089 COc1ccc(cc1OC(C)C)C 34a_100011216497_100000210206 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.3089 COc1ccc(cc1OC(C)C)C 7a_100011216497_100000210206 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 34a_100000101779_100000210206 [0,1,0,0,0,0|3,0,0]=4 929 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 7a_100000101779_100000210206 [0,1,0,0,0,0|3,0,0]=4 930 B13R1.3089 COc1ccc(cc1OC(C)C)F 34a_100000034962_100000210206 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.3089 COc1ccc(cc1OC(C)C)F 7a_100000034962_100000210206 [0,1,0,0,0,0|3,0,0]=4 932 B13R1.3089 COc1ccc(cc1OC(C)C)N 34a_100000211920_100000210206 [0,1,0,0,0,0|3,0,0]=4 933 B13R1.3089 COc1ccc(cc1OC(C)C)O 271570a_203496583355_200010232110 [0,1,0,0,0,0|3,0,0]=4 934 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100000210206_100012351588 [0,1,0,0,0,0|3,0,0]=4 935 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100012351588_100000210206 [0,1,0,0,0,0|3,0,0]=4 936 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000186399_100000210206 [0,1,0,0,0,0|3,0,0]=4 937 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000210206_100000186399 [0,1,0,0,0,0|3,0,0]=4 938 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011215930 [0,1,0,0,0,0|3,0,0]=4 939 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100011215930_100000210206 [0,1,0,0,0,0|3,0,0]=4 940 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000171694_100000210206 [0,1,0,0,0,0|3,0,0]=4 941 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000210206_100000171694 [0,1,0,0,0,0|3,0,0]=4 942 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100000210206_100011356947 [0,1,0,0,0,0|3,0,0]=4 943 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100011356947_100000210206 [0,1,0,0,0,0|3,0,0]=4 944 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100000210206_100010234764 [0,1,0,0,0,0|3,0,0]=4 945 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100010234764_100000210206 [0,1,0,0,0,0|3,0,0]=4 946 B13R1.3089 COc1ccc(nc1C=C(C)C)C 271570a_100102525489_100009820875 [0,1,0,0,0,0|1,0,2]=4 947 B13R1.3089 COc1ccc(nc1C=C(C)C)N 271570a_100102525489_100010172607 [0,1,0,0,0,0|1,0,2]=4 948 B13R1.3089 COc1ccc(nc1CN(C)C)Br 270004a_100102631434_200010137984 [0,1,0,0,0,0|2,0,0]=3 949 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100000210206_100009820875 [0,1,0,0,0,0|2,0,0]=3 950 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100009820875_100000210206 [0,1,0,0,0,0|2,0,0]=3 951 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100000210206_100010172607 [0,1,0,0,0,0|2,0,0]=3 952 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100010172607_100000210206 [0,1,0,0,0,0|2,0,0]=3 953 B13R1.3089 COc1ncc(cc1C=C(C)C)Br 271570a_100102525489_100009814608 [0,1,0,0,0,0|1,0,2]=4 954 B13R1.3089 COc1ncc(cc1C=C(C)C)C 271570a_100102525489_100012353929 [0,1,0,0,0,0|1,0,2]=4 955 B13R1.3089 COc1ncc(cc1C=C(C)C)F 271570a_100102525489_100009828472 [0,1,0,0,0,0|1,0,2]=4 956 B13R1.3089 COc1ncc(cc1C=C(C)C)N 271570a_100102525489_100012351452 [0,1,0,0,0,0|1,0,2]=4 957 B13R1.3089 COc1ncc(cc1CC(=O)C)Br 1458a_100000070787_100010065838 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.3089 COc1ncc(cc1CN(C)C)Br 2230a_100102631434_100010065838 [0,1,0,0,0,0|2,0,0]=3 959 B13R1.3089 COc1ncc(cc1CN(C)C)Br 269982a_100102631434_100010065838 [0,1,0,0,0,0|2,0,0]=3 960 B13R1.3089 COc1ncc(cc1CN(C)C)Br 270004a_100102631434_100009814609 [0,1,0,0,0,0|2,0,0]=3 961 B13R1.3089 COc1ncc(cc1CN(C)C)C 270004a_100102631434_100000118322 [0,1,0,0,0,0|2,0,0]=3 962 B13R1.3089 COc1ncc(cc1CN(C)C)F 270004a_100102631434_100000081817 [0,1,0,0,0,0|2,0,0]=3 963 B13R1.3089 COc1ncc(cc1OC(C)C)Br 34a_100010135713_100000210206 [0,1,0,0,0,0|2,0,0]=3 964 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100000210206_100009814608 [0,1,0,0,0,0|2,0,0]=3 965 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100009814608_100000210206 [0,1,0,0,0,0|2,0,0]=3 966 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100000210206_100012353929 [0,1,0,0,0,0|2,0,0]=3 967 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100012353929_100000210206 [0,1,0,0,0,0|2,0,0]=3 968 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100000210206_100009828472 [0,1,0,0,0,0|2,0,0]=3 969 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100009828472_100000210206 [0,1,0,0,0,0|2,0,0]=3 970 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100000210206_100012351452 [0,1,0,0,0,0|2,0,0]=3 971 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100012351452_100000210206 [0,1,0,0,0,0|2,0,0]=3 972 B13R1.3089 COc1nnc(cc1SC(C)C)Cl 62a_100000210206_100000725446 [0,1,0,0,0,0|3,0,0]=4 973 B13R1.3089 COc1nnc(cc1SC(C)C)Cl 62a_100000725446_100000210206 [0,1,0,0,0,0|3,0,0]=4 974 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,0,0,1,0,0|3,0,0]=4 975 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,0,0,1,0,0|3,0,0]=4 976 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,0,0,1,0,0|3,0,0]=4 977 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,0,0,1,0,0|3,0,0]=4 978 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,0,0,1,0,0|3,0,0]=4 979 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,0,0,1,0,0|3,0,0]=4 980 B13R2.581 COc1cccc2c1CN(C2)C 2230a_100016991506_200000210301 [0,0,0,1,0,0|3,0,0]=4 981 B13R2.581 COc1cccc2c1CN(C2)C 269982a_100016991506_200000210301 [0,0,0,1,0,0|3,0,0]=4 982 B13R2.581 COc1cccc2c1CN(C2)C 34a_100016991506_200000210301 [0,0,0,1,0,0|3,0,0]=4 983 B13R2.581 COc1cccc2c1CN(C2)[13CH3] 2230a_100016991506_200025704644 [0,0,0,1,0,0|3,0,0]=4 984 B13R2.581 COc1cccc2c1CN(C2)[13CH3] 269982a_100016991506_200025704644 [0,0,0,1,0,0|3,0,0]=4 985 B13R2.581 COc1cccc2c1CN(C2)[13CH3] 34a_100016991506_200025704644 [0,0,0,1,0,0|3,0,0]=4 986 B13R2.621 CCc1ncccc1SC2CC2 62a_100009877225_100000211595 [0,0,0,1,0,0|3,0,0]=4 987 B13R2.621 CCc1nccnc1NC2CC2 27a_100000212008_100011995844 [0,0,0,1,0,0|2,0,0]=3 988 B13R2.621 CCc1nccnc1SC2CC2 62a_100011995844_100000211595 [0,0,0,1,0,0|2,0,0]=3 989 B13R2.621 CNc1ncccc1SC2CC2 62a_100000700899_100000211595 [0,0,0,1,0,0|3,0,0]=4 990 B13R2.621 COc1ccccc1NC2CC2 34a_100000210025_100000211595 [0,0,0,1,0,0|3,0,0]=4 991 B13R2.621 COc1ccccc1OC2CC2 34a_100000210385_100000211595 [0,0,0,1,0,0|3,0,0]=4 992 B13R2.621 COc1ccccc1SC2CC2 62a_100000210334_100000211595 [0,0,0,1,0,0|3,0,0]=4 993 B13R2.621 COc1cccnc1OC2CC2 34a_100025773188_100000211595 [0,0,0,1,0,0|2,0,0]=3 994 B13R2.621 COc1cccnc1SC2CC2 62a_100000767102_100000211595 [0,0,0,1,0,0|2,0,0]=3 995 B13R2.621 COc1cncnc1NC2CC2 27a_100000212008_100012001275 [0,0,0,1,0,0|3,0,0]=4 996 B13R2.621 COc1cncnc1SC2CC2 62a_100012001275_100000211595 [0,0,0,1,0,0|3,0,0]=4 997 B13R2.621 COc1ncccc1OC2CC2 34a_100000698397_100000211595 [0,0,0,1,0,0|2,0,0]=3 998 B13R2.621 COc1ncccc1SC2CC2 62a_100000047025_100000211595 [0,0,0,1,0,0|2,0,0]=3 999 B13R2.621 COc1nccnc1NC2CC2 27a_100000212008_100009858322 [0,0,0,1,0,0|1,0,0]=2 1000 B13R2.621 COc1nccnc1SC2CC2 62a_100009858322_100000211595 [0,0,0,1,0,0|1,0,0]=2 1001 B13R2.621 COc1ncncc1SC2CC2 62a_100000719902_100000211595 [0,0,0,1,0,0|3,0,0]=4 1002 B13R2.621 CSc1ncccc1SC2CC2 62a_100011465278_100000211595 [0,0,0,1,0,0|2,1,0]=4 1003 B13R2.621 N#Cc1nccnc1NC2CC2 27a_100000212008_100000040484 [0,0,0,1,0,0|3,0,0]=4 1004 B13R2.621 NCc1nccnc1SC2CC2 62a_100000729963_100000211595 [0,0,0,1,0,0|3,0,0]=4 1005 B13R2.621 O=Cc1nccnc1SC2CC2 62a_100000051000_100000211595 [0,0,0,1,0,0|3,0,0]=4 1006 B13R2.621 OCc1nccnc1SC2CC2 62a_100000057004_100000211595 [0,0,0,1,0,0|3,0,0]=4 1007 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,0,0,0,1,0|1,0,2]=4 1008 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,0,0,0,1,0|1,0,2]=4 1009 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,0,0,0,1,0|1,0,2]=4 1010 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,0,0,0,1,0|1,0,2]=4 1011 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,0,0,0,1,0|0,0,2]=3 1012 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [0,0,0,0,1,0|2,0,1]=4 1013 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [0,0,0,0,1,0|2,0,1]=4 1014 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,0,0,0,1,0|2,0,1]=4 1015 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,0,0,0,1,0|2,0,1]=4 1016 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,0,0,0,1,0|1,1,1]=4 1017 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,0,0,0,1,0|1,1,1]=4 1018 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,0,0,0,1,0|3,0,0]=4 1019 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,0,0,0,1,0|3,0,0]=4 1020 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,0,0,0,1,0|3,0,0]=4 1021 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,0,0,0,1,0|2,0,0]=3 1022 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,0,0,0,1,0|2,0,0]=3 1023 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,0,0,0,1,0|2,1,0]=4 1024 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,0,0,0,1,0|2,1,0]=4 1025 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,0,0,0,1,0|1,1,0]=3 1026 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,0,0,0,1,0|1,1,0]=3 1027 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,0,0,0,1,0|1,0,0]=2 1028 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,0,0,0,1,0|1,0,0]=2 1029 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_100009816988_200025704644 [0,0,0,0,1,0|2,1,0]=4 1030 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_200025704644_100009816988 [0,0,0,0,1,0|2,1,0]=4 1031 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,0,0,0,1,0|2,1,0]=4 1032 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,0,0,0,1,0|2,1,0]=4 1033 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,0,0,0,1,0|3,0,0]=4 1034 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,0,0,0,1,0|3,0,0]=4 1035 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,0,0,0,1,0|2,1,0]=4 1036 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,0,0,0,1,0|2,1,0]=4 1037 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,0,0,0,1,0|2,0,0]=3 1038 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,0,0,0,1,0|2,1,0]=4 1039 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,0,0,0,1,0|2,1,0]=4 1040 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [0,0,0,0,1,0|3,0,0]=4 1041 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,0,0,0,1,0|1,1,0]=3 1042 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,0,0,0,1,0|3,0,0]=4 1043 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,0,0,0,1,0|3,0,0]=4 1044 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,0,0,0,1,0|3,0,0]=4 1045 B11R1.53 CNc1cncnc1C(C)C 27a_100102657272_100009816988 [0,0,0,0,1,0|3,0,0]=4 1046 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,0,0,0,1,0|2,0,1]=4 1047 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,0,0,0,1,0|2,0,0]=3 1048 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,0,0,0,1,0|2,0,0]=3 1049 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,0,0,0,1,0|2,0,0]=3 1050 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,0,0,0,1,0|3,0,0]=4 1051 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,0,0,0,1,0|3,0,0]=4 1052 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,0,0,0,1,0|3,0,0]=4 1053 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,0,0,0,1,0|3,0,0]=4 1054 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,0,0,0,1,0|3,0,0]=4 1055 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,0,0,0,1,0|3,0,0]=4 1056 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,0,0,0,1,0|3,0,0]=4 1057 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,0,0,0,1,0|3,0,0]=4 1058 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,0,0,0,1,0|3,0,0]=4 1059 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,0,0,0,1,0|2,0,1]=4 1060 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,0,0,0,1,0|2,0,1]=4 1061 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,0,0,0,1,0|1,0,0]=2 1062 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,0,0,0,1,0|1,0,0]=2 1063 B11R1.53 COc1cncnc1N(C)C 27a_100102631434_100012001275 [0,0,0,0,1,0|3,0,0]=4 1064 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,0,0,0,1,0|2,0,1]=4 1065 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,0,0,0,1,0|1,0,0]=2 1066 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,0,0,0,1,0|2,1,0]=4 1067 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,0,0,0,1,0|2,1,0]=4 1068 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,0,0,0,1,0|2,1,0]=4 1069 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,0,0,0,1,0|2,1,0]=4 1070 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,0,0,0,1,0|2,1,0]=4 1071 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,0,0,0,1,0|2,1,0]=4 1072 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,0,0,0,1,0|2,1,0]=4 1073 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,0,0,0,1,0|2,1,0]=4 1074 B11R1.53 CSc1cncnc1C(C)C 62a_100009816988_200000210301 [0,0,0,0,1,0|2,1,0]=4 1075 B11R1.53 CSc1cncnc1C(C)C 62a_200000210301_100009816988 [0,0,0,0,1,0|2,1,0]=4 1076 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,0,0,0,1,0|1,1,0]=3 1077 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,0,0,0,1,0|1,1,0]=3 1078 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,0,0,0,1,0|2,1,0]=4 1079 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,0,0,0,1,0|2,1,0]=4 1080 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,0,0,0,1,0|1,1,1]=4 1081 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,0,0,0,1,0|1,1,1]=4 1082 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,0,0,0,1,0|1,1,0]=3 1083 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,0,0,0,1,0|3,0,0]=4 1084 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,0,0,0,1,0|2,1,0]=4 1085 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,0,0,0,1,0|2,1,0]=4 1086 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,0,0,0,1,0|2,0,1]=4 1087 B11R1.57 CCc1ccsc1SC(C)C 62a_100000210206_200009875468 [0,0,0,0,1,0|3,0,0]=4 1088 B11R1.57 CCc1ccsc1SC(C)C 62a_200009875468_100000210206 [0,0,0,0,1,0|3,0,0]=4 1089 B11R1.57 CCn1ccnc1CN(C)C 2230a_100011628387_200000210301 [0,0,0,0,1,0|3,0,0]=4 1090 B11R1.57 CCn1ccnc1CN(C)C 269982a_100011628387_200000210301 [0,0,0,0,1,0|3,0,0]=4 1091 B11R1.57 CCn1ccnc1CN(C)C 270004a_100102631434_100000748659 [0,0,0,0,1,0|3,0,0]=4 1092 B11R1.57 CCn1ccnc1CN(C)[13CH3] 2230a_100011628387_200025704644 [0,0,0,0,1,0|3,0,0]=4 1093 B11R1.57 CCn1ccnc1CN(C)[13CH3] 269982a_100011628387_200025704644 [0,0,0,0,1,0|3,0,0]=4 1094 B11R1.57 CCn1ccnc1SC(C)C 62a_100000210206_100011617267 [0,0,0,0,1,0|3,0,0]=4 1095 B11R1.57 CCn1ccnc1SC(C)C 62a_100011617267_100000210206 [0,0,0,0,1,0|3,0,0]=4 1096 B11R1.57 CCn1nccc1CN(C)C 2230a_100102631434_100025719316 [0,0,0,0,1,0|3,0,0]=4 1097 B11R1.57 CCn1nccc1CN(C)C 269982a_100102631434_100025719316 [0,0,0,0,1,0|3,0,0]=4 1098 B11R1.57 CCn1nccc1CN(C)C 270004a_100102631434_100000763647 [0,0,0,0,1,0|3,0,0]=4 1099 B11R1.57 CCn1nccc1OC(C)C 34a_100012181048_100000210206 [0,0,0,0,1,0|3,0,0]=4 1100 B11R1.57 CCn1nccc1SC(C)C 62a_100000210206_100000728327 [0,0,0,0,1,0|3,0,0]=4 1101 B11R1.57 CCn1nccc1SC(C)C 62a_100000728327_100000210206 [0,0,0,0,1,0|3,0,0]=4 1102 B11R1.57 CCn1ncnc1CN(C)C 270004a_100102631434_100011935331 [0,0,0,0,1,0|3,0,0]=4 1103 B11R1.57 CCn1ncnc1NC(C)C 27a_100138425928_100009879425 [0,0,0,0,1,0|3,0,0]=4 1104 B11R1.57 CCn1ncnc1SC(C)C 62a_100000210206_100009879425 [0,0,0,0,1,0|3,0,0]=4 1105 B11R1.57 CCn1ncnc1SC(C)C 62a_100009879425_100000210206 [0,0,0,0,1,0|3,0,0]=4 1106 B11R1.57 COc1[nH]ncc1SC(C)C 62a_100010349828_100000210206 [0,0,0,0,1,0|2,0,1]=4 1107 B11R1.57 COc1ccoc1CN(C)C 270004a_100102631434_200009856553 [0,0,0,0,1,0|2,0,0]=3 1108 B11R1.57 COc1ccsc1CN(C)C 270004a_100102631434_100000689126 [0,0,0,0,1,0|2,0,0]=3 1109 B11R1.57 COc1n[nH]cc1C=C(C)C 271570a_100102525489_100010982843 [0,0,0,0,1,0|1,0,2]=4 1110 B11R1.57 COc1n[nH]cc1SC(C)C 62a_100000210206_100010982843 [0,0,0,0,1,0|2,0,0]=3 1111 B11R1.57 CSc1sccc1SC(C)C 62a_100000210206_200010341309 [0,0,0,0,1,0|2,1,0]=4 1112 B11R1.57 CSc1sccc1SC(C)C 62a_200010341309_100000210206 [0,0,0,0,1,0|2,1,0]=4 1113 B13R1.90 C=C(C)CNc1nccnc1CC 27a_100000765925_100011995844 [0,0,0,0,0,1|1,0,2]=4 1114 B13R1.90 C=C(C)CNc1nccnc1OC 27a_100000765925_100009858322 [0,0,0,0,0,1|0,0,2]=3 1115 B13R1.90 C=C(C)COc1cccnc1OC 34a_100000698397_100000748629 [0,0,0,0,0,1|1,0,2]=4 1116 B13R1.90 C=C(C)COc1cccnc1OC 7a_100000698397_100000748629 [0,0,0,0,0,1|1,0,2]=4 1117 B13R1.90 C=C(C)COc1ncccc1OC 34a_100025773188_100000748629 [0,0,0,0,0,1|1,0,2]=4 1118 B13R1.90 C=C(C)CSc1cccnc1OC 62a_100000047025_100000211660 [0,0,0,0,0,1|1,0,2]=4 1119 B13R1.90 C=C(C)CSc1cccnc1OC 62a_100000748629_100000047025 [0,0,0,0,0,1|1,0,2]=4 1120 B13R1.90 C=C(C)CSc1ncccc1OC 62a_100000748629_100000690851 [0,0,0,0,0,1|1,0,2]=4 1121 B13R1.90 C=C(C)CSc1ncccc1OC 62a_100000767102_100000211660 [0,0,0,0,0,1|1,0,2]=4 1122 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100000748629_100011995844 [0,0,0,0,0,1|1,0,2]=4 1123 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100011995844_100000211660 [0,0,0,0,0,1|1,0,2]=4 1124 B13R1.90 C=C(C)CSc1nccnc1NC 62a_100000748629_100011529439 [0,0,0,0,0,1|1,0,2]=4 1125 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100000748629_100000749998 [0,0,0,0,0,1|0,0,2]=3 1126 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100009858322_100000211660 [0,0,0,0,0,1|0,0,2]=3 1127 B13R1.90 C=C(F)CSc1nccnc1OC 62a_100000042424_100000749998 [0,0,0,0,0,1|1,0,2]=4 1128 B13R1.90 C=C(F)CSc1nccnc1OC 62a_100009858322_100000042424 [0,0,0,0,0,1|1,0,2]=4 1129 B13R1.90 CC(C)C=Cc1nccnc1C#N 271570a_100016257149_100000040484 [0,0,0,0,0,1|2,0,1]=4 1130 B13R1.90 CC(C)C=Cc1nccnc1CN 271570a_100016257149_100000729963 [0,0,0,0,0,1|2,0,1]=4 1131 B13R1.90 CC(C)C=Cc1nccnc1CO 271570a_100016257149_100000057004 [0,0,0,0,0,1|2,0,1]=4 1132 B13R1.90 CC(C)C=Cc1nccnc1NN 271570a_100016257149_100000755098 [0,0,0,0,0,1|2,0,1]=4 1133 B13R1.90 CC(C)CCc1ncncc1S[13CH3] 62a_200009816994_200025704644 [0,0,0,0,0,1|2,1,0]=4 1134 B13R1.90 CC(C)CCc1ncncc1S[13CH3] 62a_200025704644_200009816994 [0,0,0,0,0,1|2,1,0]=4 1135 B13R1.90 CC(C)CNc1ncccc1C#N 27a_100000210953_100000211984 [0,0,0,0,0,1|3,0,0]=4 1136 B13R1.90 CC(C)CNc1nccnc1C#N 27a_100000210953_100000040484 [0,0,0,0,0,1|2,0,0]=3 1137 B13R1.90 CC(C)COc1ccccc1N[13CH3] 34a_100000742603_200025704644 [0,0,0,0,0,1|3,0,0]=4 1138 B13R1.90 CC(C)COc1cccnc1C#N 34a_100000722750_100000210624 [0,0,0,0,0,1|3,0,0]=4 1139 B13R1.90 CC(C)COc1cccnc1C#N 7a_100000722750_100000210760 [0,0,0,0,0,1|3,0,0]=4 1140 B13R1.90 CC(C)COc1cccnc1CBr 34a_200020655725_100000210624 [0,0,0,0,0,1|3,0,0]=4 1141 B13R1.90 CC(C)COc1cccnc1CBr 7a_200020655725_100000210760 [0,0,0,0,0,1|3,0,0]=4 1142 B13R1.90 CC(C)COc1cccnc1CO 34a_100000731849_100000210624 [0,0,0,0,0,1|3,0,0]=4 1143 B13R1.90 CC(C)CSc1cccnc1C#N 62a_100000210624_100000685805 [0,0,0,0,0,1|3,0,0]=4 1144 B13R1.90 CC(C)CSc1cccnc1C=O 62a_100000210624_100011934733 [0,0,0,0,0,1|3,0,0]=4 1145 B13R1.90 CC(C)CSc1cccnc1C=O 62a_100011934733_100000210760 [0,0,0,0,0,1|3,0,0]=4 1146 B13R1.90 CC(C)CSc1cccnc1CN 62a_100000210624_100020591323 [0,0,0,0,0,1|3,0,0]=4 1147 B13R1.90 CC(C)CSc1cccnc1CN 62a_100020591323_100000210760 [0,0,0,0,0,1|3,0,0]=4 1148 B13R1.90 CC(C)CSc1cccnc1CO 62a_100000210624_100011996772 [0,0,0,0,0,1|3,0,0]=4 1149 B13R1.90 CC(C)CSc1cccnc1CO 62a_100011996772_100000210760 [0,0,0,0,0,1|3,0,0]=4 1150 B13R1.90 CC(C)CSc1cccnc1NN 62a_100000210624_100011464834 [0,0,0,0,0,1|3,0,0]=4 1151 B13R1.90 CC(C)CSc1cccnc1NN 62a_100011464834_100000210760 [0,0,0,0,0,1|3,0,0]=4 1152 B13R1.90 CC(C)CSc1ncccc1C#N 62a_100000210624_100000211984 [0,0,0,0,0,1|3,0,0]=4 1153 B13R1.90 CC(C)CSc1ncccc1C=O 62a_100000210624_100009816751 [0,0,0,0,0,1|3,0,0]=4 1154 B13R1.90 CC(C)CSc1ncccc1C=O 62a_100009816751_100000210760 [0,0,0,0,0,1|3,0,0]=4 1155 B13R1.90 CC(C)CSc1ncccc1CN 62a_100000210624_100015189234 [0,0,0,0,0,1|3,0,0]=4 1156 B13R1.90 CC(C)CSc1ncccc1CN 62a_100015189234_100000210760 [0,0,0,0,0,1|3,0,0]=4 1157 B13R1.90 CC(C)CSc1ncccc1CO 62a_100000210624_100000748726 [0,0,0,0,0,1|3,0,0]=4 1158 B13R1.90 CC(C)CSc1ncccc1CO 62a_100000748726_100000210760 [0,0,0,0,0,1|3,0,0]=4 1159 B13R1.90 CC(C)CSc1nccnc1C#N 62a_100000210624_100000040484 [0,0,0,0,0,1|2,0,0]=3 1160 B13R1.90 CC(C)CSc1nccnc1C=O 62a_100000051000_100000210760 [0,0,0,0,0,1|2,0,0]=3 1161 B13R1.90 CC(C)CSc1nccnc1C=O 62a_100000210624_100000051000 [0,0,0,0,0,1|2,0,0]=3 1162 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000210624_100000729963 [0,0,0,0,0,1|2,0,0]=3 1163 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000729963_100000210760 [0,0,0,0,0,1|2,0,0]=3 1164 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000057004_100000210760 [0,0,0,0,0,1|2,0,0]=3 1165 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000210624_100000057004 [0,0,0,0,0,1|2,0,0]=3 1166 B13R1.90 CC(C)CSc1nccnc1NN 62a_100000210624_100000755098 [0,0,0,0,0,1|2,0,0]=3 1167 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_100000195800_200025704644 [0,0,0,0,0,1|2,1,0]=4 1168 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_200025704644_100000195800 [0,0,0,0,0,1|2,1,0]=4 1169 B13R1.90 CC(C)NCc1cccnc1C#N 2230a_100138425928_100011768898 [0,0,0,0,0,1|3,0,0]=4 1170 B13R1.90 CC(C)NCc1cccnc1C#N 34a_100138425928_100011768898 [0,0,0,0,0,1|3,0,0]=4 1171 B13R1.90 CC(C)NCc1ncccc1C#N 2230a_100138425928_100000099805 [0,0,0,0,0,1|3,0,0]=4 1172 B13R1.90 CC(C)OCc1cccnc1C#N 34a_100000212225_100011768898 [0,0,0,0,0,1|3,0,0]=4 1173 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200000173093_200025704644 [0,0,0,0,0,1|2,1,0]=4 1174 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200025704644_200000173093 [0,0,0,0,0,1|2,1,0]=4 1175 B13R1.90 CC(C)SCc1cccnc1C#N 62a_100000210206_100011768898 [0,0,0,0,0,1|3,0,0]=4 1176 B13R1.90 CC(C)SCc1ncccc1C#N 62a_100000210206_100000099805 [0,0,0,0,0,1|3,0,0]=4 1177 B13R1.90 CC(O)CNc1nccnc1C#N 27a_100000210904_100000040484 [0,0,0,0,0,1|3,0,0]=4 1178 B13R1.90 CC(O)CSc1nccnc1C#N 62a_100011218427_100000040484 [0,0,0,0,0,1|3,0,0]=4 1179 B13R1.90 CC(O)CSc1nccnc1C=O 62a_100000051000_100011218427 [0,0,0,0,0,1|3,0,0]=4 1180 B13R1.90 CC(O)CSc1nccnc1C=O 62a_100011218427_100000051000 [0,0,0,0,0,1|3,0,0]=4 1181 B13R1.90 CC(O)CSc1nccnc1CN 62a_100000729963_100011218427 [0,0,0,0,0,1|3,0,0]=4 1182 B13R1.90 CC(O)CSc1nccnc1CN 62a_100011218427_100000729963 [0,0,0,0,0,1|3,0,0]=4 1183 B13R1.90 CC(O)CSc1nccnc1CO 62a_100000057004_100011218427 [0,0,0,0,0,1|3,0,0]=4 1184 B13R1.90 CC(O)CSc1nccnc1CO 62a_100011218427_100000057004 [0,0,0,0,0,1|3,0,0]=4 1185 B13R1.90 CC(O)CSc1nccnc1NN 62a_100011218427_100000755098 [0,0,0,0,0,1|3,0,0]=4 1186 B13R1.90 CCc1ccccc1CNC(C)C 207a_100138425928_100011219594 [0,0,0,0,0,1|3,0,0]=4 1187 B13R1.90 CCc1ccccc1COC(C)C 34a_100011663872_100000210206 [0,0,0,0,0,1|3,0,0]=4 1188 B13R1.90 CCc1ccccc1COC(C)C 7a_100011663872_100000210206 [0,0,0,0,0,1|3,0,0]=4 1189 B13R1.90 CCc1ccccc1NCC(C)C 2230a_100000212081_100000210760 [0,0,0,0,0,1|3,0,0]=4 1190 B13R1.90 CCc1ccccc1NCC(C)C 34a_100000212081_100000210624 [0,0,0,0,0,1|3,0,0]=4 1191 B13R1.90 CCc1ccccc1NCC(C)C 7a_100000212081_100000210760 [0,0,0,0,0,1|3,0,0]=4 1192 B13R1.90 CCc1ccccc1OCC(C)C 34a_100000210936_100000210624 [0,0,0,0,0,1|3,0,0]=4 1193 B13R1.90 CCc1ccccc1OCC(C)C 7a_100000210936_100000210760 [0,0,0,0,0,1|3,0,0]=4 1194 B13R1.90 CCc1ccccc1SCC(C)C 62a_100000210624_100011215823 [0,0,0,0,0,1|3,0,0]=4 1195 B13R1.90 CCc1ccccc1SCC(C)C 62a_100011215823_100000210760 [0,0,0,0,0,1|3,0,0]=4 1196 B13R1.90 CCc1cncnc1NCC(C)C 27a_100000210953_200000100055 [0,0,0,0,0,1|3,0,0]=4 1197 B13R1.90 CCc1cncnc1SCC(C)C 62a_100000210624_200000100055 [0,0,0,0,0,1|3,0,0]=4 1198 B13R1.90 CCc1cncnc1SCC(C)C 62a_200000100055_100000210760 [0,0,0,0,0,1|3,0,0]=4 1199 B13R1.90 CCc1ncccc1C=CC(C)C 271570a_100016257149_100009877225 [0,0,0,0,0,1|2,0,1]=4 1200 B13R1.90 CCc1ncccc1SCC(C)C 62a_100000210624_100009877225 [0,0,0,0,0,1|2,0,0]=3 1201 B13R1.90 CCc1ncccc1SCC(C)C 62a_100009877225_100000210760 [0,0,0,0,0,1|2,0,0]=3 1202 B13R1.90 CCc1ncccc1SCC(C)O 62a_100009877225_100011218427 [0,0,0,0,0,1|3,0,0]=4 1203 B13R1.90 CCc1ncccc1SCC(C)O 62a_100011218427_100009877225 [0,0,0,0,0,1|3,0,0]=4 1204 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009817552_100009877225 [0,0,0,0,0,1|3,0,0]=4 1205 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009877225_100009817552 [0,0,0,0,0,1|3,0,0]=4 1206 B13R1.90 CCc1nccnc1C=CC(C)C 271570a_100016257149_100011995844 [0,0,0,0,0,1|1,0,1]=3 1207 B13R1.90 CCc1nccnc1C=CC(C)O 271570a_200011019289_100011995844 [0,0,0,0,0,1|2,0,1]=4 1208 B13R1.90 CCc1nccnc1NCC(C)C 27a_100000210953_100011995844 [0,0,0,0,0,1|1,0,0]=2 1209 B13R1.90 CCc1nccnc1NCC(C)O 27a_100000210904_100011995844 [0,0,0,0,0,1|2,0,0]=3 1210 B13R1.90 CCc1nccnc1NCC(F)F 27a_100000765723_100011995844 [0,0,0,0,0,1|3,0,0]=4 1211 B13R1.90 CCc1nccnc1SCC(C)C 62a_100000210624_100011995844 [0,0,0,0,0,1|1,0,0]=2 1212 B13R1.90 CCc1nccnc1SCC(C)C 62a_100011995844_100000210760 [0,0,0,0,0,1|1,0,0]=2 1213 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011218427_100011995844 [0,0,0,0,0,1|2,0,0]=3 1214 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011995844_100011218427 [0,0,0,0,0,1|2,0,0]=3 1215 B13R1.90 CCc1nccnc1SCC(F)F 62a_100011934356_100011995844 [0,0,0,0,0,1|3,0,0]=4 1216 B13R1.90 CCc1nccnc1SCC(F)F 62a_100011995844_100011934356 [0,0,0,0,0,1|3,0,0]=4 1217 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100009817552_100011995844 [0,0,0,0,0,1|2,0,0]=3 1218 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100011995844_100009817552 [0,0,0,0,0,1|2,0,0]=3 1219 B13R1.90 CCc1ncncc1NCC(C)C 27a_100000210953_100009816992 [0,0,0,0,0,1|3,0,0]=4 1220 B13R1.90 CCc1ncncc1SCC(C)C 62a_100000210624_100009816992 [0,0,0,0,0,1|3,0,0]=4 1221 B13R1.90 CCc1ncncc1SCC(C)C 62a_100009816992_100000210760 [0,0,0,0,0,1|3,0,0]=4 1222 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000033821_100000210624 [0,0,0,0,0,1|3,0,0]=4 1223 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000742603_200000210301 [0,0,0,0,0,1|3,0,0]=4 1224 B13R1.90 CNc1ccccc1SCC(C)C 62a_100000210624_100020606079 [0,0,0,0,0,1|3,0,0]=4 1225 B13R1.90 CNc1ccccc1SCC(C)C 62a_100020606079_100000210760 [0,0,0,0,0,1|3,0,0]=4 1226 B13R1.90 CNc1cccnc1C=CC(C)C 271570a_100016257149_200011806188 [0,0,0,0,0,1|2,0,1]=4 1227 B13R1.90 CNc1cccnc1SCC(C)C 62a_100000210624_200011806188 [0,0,0,0,0,1|2,0,0]=3 1228 B13R1.90 CNc1cccnc1SCC(C)O 62a_100011218427_200011806188 [0,0,0,0,0,1|3,0,0]=4 1229 B13R1.90 CNc1cccnc1SC[C@@H](C)O 62a_100009817552_200011806188 [0,0,0,0,0,1|3,0,0]=4 1230 B13R1.90 CNc1cncnc1CCC(C)C 27a_100102657272_200009816994 [0,0,0,0,0,1|3,0,0]=4 1231 B13R1.90 CNc1ncccc1C=CC(C)C 271570a_100016257149_100000700899 [0,0,0,0,0,1|2,0,1]=4 1232 B13R1.90 CNc1ncccc1SCC(C)C 62a_100000210624_100000700899 [0,0,0,0,0,1|2,0,0]=3 1233 B13R1.90 CNc1ncccc1SCC(C)C 62a_100000700899_100000210760 [0,0,0,0,0,1|2,0,0]=3 1234 B13R1.90 CNc1ncccc1SCC(C)O 62a_100000700899_100011218427 [0,0,0,0,0,1|3,0,0]=4 1235 B13R1.90 CNc1ncccc1SCC(C)O 62a_100011218427_100000700899 [0,0,0,0,0,1|3,0,0]=4 1236 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100000700899_100009817552 [0,0,0,0,0,1|3,0,0]=4 1237 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100009817552_100000700899 [0,0,0,0,0,1|3,0,0]=4 1238 B13R1.90 CNc1nccnc1C=CC(C)C 271570a_100016257149_100011529439 [0,0,0,0,0,1|1,0,1]=3 1239 B13R1.90 CNc1nccnc1C=CC(C)O 271570a_200011019289_100011529439 [0,0,0,0,0,1|2,0,1]=4 1240 B13R1.90 CNc1nccnc1SCC(C)C 62a_100000210624_100011529439 [0,0,0,0,0,1|1,0,0]=2 1241 B13R1.90 CNc1nccnc1SCC(C)O 62a_100011218427_100011529439 [0,0,0,0,0,1|2,0,0]=3 1242 B13R1.90 CNc1nccnc1SCC(F)F 62a_100011934356_100011529439 [0,0,0,0,0,1|3,0,0]=4 1243 B13R1.90 CNc1nccnc1SC[C@@H](C)O 62a_100009817552_100011529439 [0,0,0,0,0,1|2,0,0]=3 1244 B13R1.90 CNc1ncncc1SCC(C)C 62a_100000210624_200012180720 [0,0,0,0,0,1|3,0,0]=4 1245 B13R1.90 CNc1ncncc1SCC(C)C 62a_200012180720_100000210760 [0,0,0,0,0,1|3,0,0]=4 1246 B13R1.90 COc1ccccc1C=CC(C)C 271570a_100016257149_100000174000 [0,0,0,0,0,1|2,0,1]=4 1247 B13R1.90 COc1ccccc1CCN(C)C 2230a_100000231131_200000210301 [0,0,0,0,0,1|3,0,0]=4 1248 B13R1.90 COc1ccccc1CCN(C)C 2230a_100102631434_100011713687 [0,0,0,0,0,1|3,0,0]=4 1249 B13R1.90 COc1ccccc1CCN(C)C 269982a_100000231131_200000210301 [0,0,0,0,0,1|3,0,0]=4 1250 B13R1.90 COc1ccccc1CCN(C)C 269982a_100102631434_100011713687 [0,0,0,0,0,1|3,0,0]=4 1251 B13R1.90 COc1ccccc1CCN(C)C 270004a_100102631434_100011713418 [0,0,0,0,0,1|3,0,0]=4 1252 B13R1.90 COc1ccccc1CCN(C)[13CH3] 2230a_100000231131_200025704644 [0,0,0,0,0,1|3,0,0]=4 1253 B13R1.90 COc1ccccc1CCN(C)[13CH3] 269982a_100000231131_200025704644 [0,0,0,0,0,1|3,0,0]=4 1254 B13R1.90 COc1ccccc1CNC(C)C 207a_100138425928_100000169842 [0,0,0,0,0,1|2,0,0]=3 1255 B13R1.90 COc1ccccc1CNC(C)C 2230a_100138425928_100000210004 [0,0,0,0,0,1|2,0,0]=3 1256 B13R1.90 COc1ccccc1CNC(C)C 34a_100000188900_100000210206 [0,0,0,0,0,1|2,0,0]=3 1257 B13R1.90 COc1ccccc1CNC(C)C 34a_100138425928_100000210004 [0,0,0,0,0,1|2,0,0]=3 1258 B13R1.90 COc1ccccc1COC(C)C 34a_100000211301_100000210206 [0,0,0,0,0,1|2,0,0]=3 1259 B13R1.90 COc1ccccc1COC(C)C 34a_100000212225_100000210004 [0,0,0,0,0,1|2,0,0]=3 1260 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210004_100000210206 [0,0,0,0,0,1|2,0,0]=3 1261 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210206_100000210004 [0,0,0,0,0,1|2,0,0]=3 1262 B13R1.90 COc1ccccc1NCC(C)C 34a_100000210025_100000210624 [0,0,0,0,0,1|2,0,0]=3 1263 B13R1.90 COc1ccccc1NCC(C)O 34a_100000210025_100011218427 [0,0,0,0,0,1|3,0,0]=4 1264 B13R1.90 COc1ccccc1NC[C@@H](C)O 34a_100000210025_100009817552 [0,0,0,0,0,1|3,0,0]=4 1265 B13R1.90 COc1ccccc1OCC(C)C 34a_100000210385_100000210624 [0,0,0,0,0,1|2,0,0]=3 1266 B13R1.90 COc1ccccc1OCC(C)O 34a_100000210385_100011218427 [0,0,0,0,0,1|3,0,0]=4 1267 B13R1.90 COc1ccccc1OC[C@@H](C)O 34a_100000210385_100009817552 [0,0,0,0,0,1|3,0,0]=4 1268 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210334_100000210760 [0,0,0,0,0,1|2,0,0]=3 1269 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210624_100000210334 [0,0,0,0,0,1|2,0,0]=3 1270 B13R1.90 COc1ccccc1SCC(C)O 62a_100000210334_100011218427 [0,0,0,0,0,1|3,0,0]=4 1271 B13R1.90 COc1ccccc1SCC(C)O 62a_100011218427_100000210334 [0,0,0,0,0,1|3,0,0]=4 1272 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100000210334_100009817552 [0,0,0,0,0,1|3,0,0]=4 1273 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210334 [0,0,0,0,0,1|3,0,0]=4 1274 B13R1.90 COc1cccnc1C=CC(C)C 271570a_100016257149_100000690851 [0,0,0,0,0,1|1,0,1]=3 1275 B13R1.90 COc1cccnc1C=CC(C)O 271570a_200011019289_100000690851 [0,0,0,0,0,1|2,0,1]=4 1276 B13R1.90 COc1cccnc1CNC(C)C 207a_100138425928_100011912573 [0,0,0,0,0,1|1,0,0]=2 1277 B13R1.90 COc1cccnc1COC(C)C 34a_100011998681_100000210206 [0,0,0,0,0,1|1,0,0]=2 1278 B13R1.90 COc1cccnc1OCC(C)C 34a_100025773188_100000210624 [0,0,0,0,0,1|1,0,0]=2 1279 B13R1.90 COc1cccnc1OCC(C)O 34a_100025773188_100011218427 [0,0,0,0,0,1|2,0,0]=3 1280 B13R1.90 COc1cccnc1OCC(F)F 34a_100025773188_100011934356 [0,0,0,0,0,1|3,0,0]=4 1281 B13R1.90 COc1cccnc1OC[C@@H](C)O 34a_100025773188_100009817552 [0,0,0,0,0,1|2,0,0]=3 1282 B13R1.90 COc1cccnc1SCC(C)C 62a_100000210624_100000690851 [0,0,0,0,0,1|1,0,0]=2 1283 B13R1.90 COc1cccnc1SCC(C)C 62a_100000767102_100000210760 [0,0,0,0,0,1|1,0,0]=2 1284 B13R1.90 COc1cccnc1SCC(C)O 62a_100000767102_100011218427 [0,0,0,0,0,1|2,0,0]=3 1285 B13R1.90 COc1cccnc1SCC(C)O 62a_100011218427_100000690851 [0,0,0,0,0,1|2,0,0]=3 1286 B13R1.90 COc1cccnc1SCC(F)F 62a_100000767102_100011934356 [0,0,0,0,0,1|3,0,0]=4 1287 B13R1.90 COc1cccnc1SCC(F)F 62a_100011934356_100000690851 [0,0,0,0,0,1|3,0,0]=4 1288 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100000767102_100009817552 [0,0,0,0,0,1|2,0,0]=3 1289 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100009817552_100000690851 [0,0,0,0,0,1|2,0,0]=3 1290 B13R1.90 COc1ccncc1CNC(C)C 207a_100138425928_200011997045 [0,0,0,0,0,1|3,0,0]=4 1291 B13R1.90 COc1ccncc1OCC(C)C 34a_100000101186_100000210624 [0,0,0,0,0,1|3,0,0]=4 1292 B13R1.90 COc1ccncc1SCC(C)C 62a_100000210624_100011997281 [0,0,0,0,0,1|3,0,0]=4 1293 B13R1.90 COc1ccncc1SCC(C)C 62a_100011997281_100000210760 [0,0,0,0,0,1|3,0,0]=4 1294 B13R1.90 COc1cnccc1CNC(C)C 207a_100138425928_100011361505 [0,0,0,0,0,1|3,0,0]=4 1295 B13R1.90 COc1cnccc1CNC(C)C 2230a_100138425928_100020635607 [0,0,0,0,0,1|3,0,0]=4 1296 B13R1.90 COc1cnccc1CSC(C)C 62a_100000210206_100020635607 [0,0,0,0,0,1|3,0,0]=4 1297 B13R1.90 COc1cnccc1CSC(C)C 62a_100020635607_100000210206 [0,0,0,0,0,1|3,0,0]=4 1298 B13R1.90 COc1cnccc1SCC(C)C 62a_100000210624_100016988167 [0,0,0,0,0,1|3,0,0]=4 1299 B13R1.90 COc1cnccc1SCC(C)C 62a_100016988167_100000210760 [0,0,0,0,0,1|3,0,0]=4 1300 B13R1.90 COc1cncnc1C=CC(C)C 271570a_100016257149_100012001275 [0,0,0,0,0,1|2,0,1]=4 1301 B13R1.90 COc1cncnc1NCC(C)C 27a_100000210953_100012001275 [0,0,0,0,0,1|2,0,0]=3 1302 B13R1.90 COc1cncnc1NCC(C)O 27a_100000210904_100012001275 [0,0,0,0,0,1|3,0,0]=4 1303 B13R1.90 COc1cncnc1SCC(C)C 62a_100000210624_100012001275 [0,0,0,0,0,1|2,0,0]=3 1304 B13R1.90 COc1cncnc1SCC(C)C 62a_100012001275_100000210760 [0,0,0,0,0,1|2,0,0]=3 1305 B13R1.90 COc1cncnc1SCC(C)O 62a_100011218427_100012001275 [0,0,0,0,0,1|3,0,0]=4 1306 B13R1.90 COc1cncnc1SCC(C)O 62a_100012001275_100011218427 [0,0,0,0,0,1|3,0,0]=4 1307 B13R1.90 COc1cncnc1SC[C@@H](C)O 62a_100009817552_100012001275 [0,0,0,0,0,1|3,0,0]=4 1308 B13R1.90 COc1cncnc1SC[C@@H](C)O 62a_100012001275_100009817552 [0,0,0,0,0,1|3,0,0]=4 1309 B13R1.90 COc1ncccc1C=CC(C)C 271570a_100016257149_100000047025 [0,0,0,0,0,1|1,0,1]=3 1310 B13R1.90 COc1ncccc1C=CC(C)O 271570a_200011019289_100000047025 [0,0,0,0,0,1|2,0,1]=4 1311 B13R1.90 COc1ncccc1CNC(=O)C 11a_100102524934_100015343762 [0,0,0,0,0,1|2,0,1]=4 1312 B13R1.90 COc1ncccc1CNC(=O)C 1626a_100102524934_100015343762 [0,0,0,0,0,1|2,0,1]=4 1313 B13R1.90 COc1ncccc1CNC(=O)C 240690a_100102524934_100015343762 [0,0,0,0,0,1|2,0,1]=4 1314 B13R1.90 COc1ncccc1CNC(=O)C 527a_100102524934_100103153847 [0,0,0,0,0,1|2,0,1]=4 1315 B13R1.90 COc1ncccc1CNC(C)C 207a_100138425928_100011290804 [0,0,0,0,0,1|1,0,0]=2 1316 B13R1.90 COc1ncccc1CNC(C)C 2230a_100138425928_100020631285 [0,0,0,0,0,1|1,0,0]=2 1317 B13R1.90 COc1ncccc1CNC(C)C 34a_100138425928_100020631285 [0,0,0,0,0,1|1,0,0]=2 1318 B13R1.90 COc1ncccc1COC(C)C 34a_100000212225_100020631285 [0,0,0,0,0,1|1,0,0]=2 1319 B13R1.90 COc1ncccc1COC(C)C 34a_100000717863_100000210206 [0,0,0,0,0,1|1,0,0]=2 1320 B13R1.90 COc1ncccc1CSC(C)C 62a_100000210206_100020631285 [0,0,0,0,0,1|1,0,0]=2 1321 B13R1.90 COc1ncccc1CSC(C)C 62a_100020631285_100000210206 [0,0,0,0,0,1|1,0,0]=2 1322 B13R1.90 COc1ncccc1OCC(C)C 34a_100000698397_100000210624 [0,0,0,0,0,1|1,0,0]=2 1323 B13R1.90 COc1ncccc1OCC(C)C 7a_100000698397_100000210760 [0,0,0,0,0,1|1,0,0]=2 1324 B13R1.90 COc1ncccc1OCC(C)O 34a_100000698397_100011218427 [0,0,0,0,0,1|2,0,0]=3 1325 B13R1.90 COc1ncccc1OCC(C)O 7a_100000698397_100011218427 [0,0,0,0,0,1|2,0,0]=3 1326 B13R1.90 COc1ncccc1OCC(F)F 34a_100000698397_100011934356 [0,0,0,0,0,1|3,0,0]=4 1327 B13R1.90 COc1ncccc1OCC(F)F 7a_100000698397_100011934356 [0,0,0,0,0,1|3,0,0]=4 1328 B13R1.90 COc1ncccc1OC[C@@H](C)O 34a_100000698397_100009817552 [0,0,0,0,0,1|2,0,0]=3 1329 B13R1.90 COc1ncccc1OC[C@@H](C)O 7a_100000698397_100009817552 [0,0,0,0,0,1|2,0,0]=3 1330 B13R1.90 COc1ncccc1SCC(C)C 62a_100000047025_100000210760 [0,0,0,0,0,1|1,0,0]=2 1331 B13R1.90 COc1ncccc1SCC(C)C 62a_100000210624_100000047025 [0,0,0,0,0,1|1,0,0]=2 1332 B13R1.90 COc1ncccc1SCC(C)O 62a_100000047025_100011218427 [0,0,0,0,0,1|2,0,0]=3 1333 B13R1.90 COc1ncccc1SCC(C)O 62a_100011218427_100000047025 [0,0,0,0,0,1|2,0,0]=3 1334 B13R1.90 COc1ncccc1SCC(F)F 62a_100000047025_100011934356 [0,0,0,0,0,1|3,0,0]=4 1335 B13R1.90 COc1ncccc1SCC(F)F 62a_100011934356_100000047025 [0,0,0,0,0,1|3,0,0]=4 1336 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100000047025_100009817552 [0,0,0,0,0,1|2,0,0]=3 1337 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100009817552_100000047025 [0,0,0,0,0,1|2,0,0]=3 1338 B13R1.90 COc1nccnc1C=CC(C)C 271570a_100016257149_100000749998 [0,0,0,0,0,1|0,0,1]=2 1339 B13R1.90 COc1nccnc1C=CC(C)O 271570a_200011019289_100000749998 [0,0,0,0,0,1|1,0,1]=3 1340 B13R1.90 COc1nccnc1NCC(C)C 27a_100000210953_100009858322 [0,0,0,0,0,1|0,0,0]=1 1341 B13R1.90 COc1nccnc1NCC(C)O 27a_100000210904_100009858322 [0,0,0,0,0,1|1,0,0]=2 1342 B13R1.90 COc1nccnc1NCC(F)F 27a_100000765723_100009858322 [0,0,0,0,0,1|2,0,0]=3 1343 B13R1.90 COc1nccnc1NNC(=O)C 22a_100000702116_100000070787 [0,0,0,0,0,1|2,0,1]=4 1344 B13R1.90 COc1nccnc1SCC(=O)N 62a_100000747473_100000749998 [0,0,0,0,0,1|2,0,1]=4 1345 B13R1.90 COc1nccnc1SCC(=O)N 62a_100009858322_100000747473 [0,0,0,0,0,1|2,0,1]=4 1346 B13R1.90 COc1nccnc1SCC(=O)[O-] 62a_100009858322_100020667443 [0,0,0,0,0,1|2,0,1]=4 1347 B13R1.90 COc1nccnc1SCC(=O)[O-] 62a_100020667443_100000749998 [0,0,0,0,0,1|2,0,1]=4 1348 B13R1.90 COc1nccnc1SCC(C)C 62a_100000210624_100000749998 [0,0,0,0,0,1|0,0,0]=1 1349 B13R1.90 COc1nccnc1SCC(C)C 62a_100009858322_100000210760 [0,0,0,0,0,1|0,0,0]=1 1350 B13R1.90 COc1nccnc1SCC(C)O 62a_100009858322_100011218427 [0,0,0,0,0,1|1,0,0]=2 1351 B13R1.90 COc1nccnc1SCC(C)O 62a_100011218427_100000749998 [0,0,0,0,0,1|1,0,0]=2 1352 B13R1.90 COc1nccnc1SCC(F)F 62a_100009858322_100011934356 [0,0,0,0,0,1|2,0,0]=3 1353 B13R1.90 COc1nccnc1SCC(F)F 62a_100011934356_100000749998 [0,0,0,0,0,1|2,0,0]=3 1354 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009817552_100000749998 [0,0,0,0,0,1|1,0,0]=2 1355 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009858322_100009817552 [0,0,0,0,0,1|1,0,0]=2 1356 B13R1.90 COc1nccnc1SC[N+](=O)[O-] 62a_100009858322_100000761209 [0,0,0,0,0,1|3,0,0]=4 1357 B13R1.90 COc1ncncc1C=CC(C)C 271570a_100016257149_100000719902 [0,0,0,0,0,1|2,0,1]=4 1358 B13R1.90 COc1ncncc1SCC(C)C 62a_100000210624_100000719902 [0,0,0,0,0,1|2,0,0]=3 1359 B13R1.90 COc1ncncc1SCC(C)C 62a_100000719902_100000210760 [0,0,0,0,0,1|2,0,0]=3 1360 B13R1.90 COc1ncncc1SCC(C)O 62a_100000719902_100011218427 [0,0,0,0,0,1|3,0,0]=4 1361 B13R1.90 COc1ncncc1SCC(C)O 62a_100011218427_100000719902 [0,0,0,0,0,1|3,0,0]=4 1362 B13R1.90 COc1ncncc1SC[C@@H](C)O 62a_100000719902_100009817552 [0,0,0,0,0,1|3,0,0]=4 1363 B13R1.90 COc1ncncc1SC[C@@H](C)O 62a_100009817552_100000719902 [0,0,0,0,0,1|3,0,0]=4 1364 B13R1.90 CSc1ccccc1CNC(C)C 207a_100138425928_100011217347 [0,0,0,0,0,1|2,1,0]=4 1365 B13R1.90 CSc1ccccc1CNC(C)C 2230a_100138425928_100000699184 [0,0,0,0,0,1|2,1,0]=4 1366 B13R1.90 CSc1ccccc1CNC(C)C 34a_100138425928_100000699184 [0,0,0,0,0,1|2,1,0]=4 1367 B13R1.90 CSc1ccccc1CNC(C)C 34a_102495365025_100000210206 [0,0,0,0,0,1|2,1,0]=4 1368 B13R1.90 CSc1ccccc1CNC(C)C 62a_100000195800_200000210301 [0,0,0,0,0,1|2,1,0]=4 1369 B13R1.90 CSc1ccccc1CNC(C)C 62a_200000210301_100000195800 [0,0,0,0,0,1|2,1,0]=4 1370 B13R1.90 CSc1ccccc1COC(C)C 34a_100000212225_100000699184 [0,0,0,0,0,1|2,1,0]=4 1371 B13R1.90 CSc1ccccc1COC(C)C 34a_100000699167_100000210206 [0,0,0,0,0,1|2,1,0]=4 1372 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000210206_100000699184 [0,0,0,0,0,1|2,1,0]=4 1373 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000699184_100000210206 [0,0,0,0,0,1|2,1,0]=4 1374 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000173093_200000210301 [0,0,0,0,0,1|2,1,0]=4 1375 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000210301_200000173093 [0,0,0,0,0,1|2,1,0]=4 1376 B13R1.90 CSc1ccccc1NCC(C)C 34a_100000211160_100000210624 [0,0,0,0,0,1|2,1,0]=4 1377 B13R1.90 CSc1ccccc1OCC(C)C 34a_100011216402_100000210624 [0,0,0,0,0,1|2,1,0]=4 1378 B13R1.90 CSc1ccccc1SCC(C)C 62a_100000210624_100011217816 [0,0,0,0,0,1|2,1,0]=4 1379 B13R1.90 CSc1ccccc1SCC(C)C 62a_100011217816_100000210760 [0,0,0,0,0,1|2,1,0]=4 1380 B13R1.90 CSc1cncnc1CCC(C)C 62a_200000210301_200009816994 [0,0,0,0,0,1|2,1,0]=4 1381 B13R1.90 CSc1cncnc1CCC(C)C 62a_200009816994_200000210301 [0,0,0,0,0,1|2,1,0]=4 1382 B13R1.90 CSc1ncccc1C=CC(C)C 271570a_100016257149_100011465278 [0,0,0,0,0,1|1,1,1]=4 1383 B13R1.90 CSc1ncccc1SCC(C)C 62a_100000210624_100011465278 [0,0,0,0,0,1|1,1,0]=3 1384 B13R1.90 CSc1ncccc1SCC(C)C 62a_100011465278_100000210760 [0,0,0,0,0,1|1,1,0]=3 1385 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011218427_100011465278 [0,0,0,0,0,1|2,1,0]=4 1386 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011465278_100011218427 [0,0,0,0,0,1|2,1,0]=4 1387 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100009817552_100011465278 [0,0,0,0,0,1|2,1,0]=4 1388 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100011465278_100009817552 [0,0,0,0,0,1|2,1,0]=4 1389 B13R1.90 C[C@@H](O)CSc1nccnc1C#N 62a_100009817552_100000040484 [0,0,0,0,0,1|3,0,0]=4 1390 B13R1.90 C[C@@H](O)CSc1nccnc1C=O 62a_100000051000_100009817552 [0,0,0,0,0,1|3,0,0]=4 1391 B13R1.90 C[C@@H](O)CSc1nccnc1C=O 62a_100009817552_100000051000 [0,0,0,0,0,1|3,0,0]=4 1392 B13R1.90 C[C@@H](O)CSc1nccnc1CN 62a_100000729963_100009817552 [0,0,0,0,0,1|3,0,0]=4 1393 B13R1.90 C[C@@H](O)CSc1nccnc1CN 62a_100009817552_100000729963 [0,0,0,0,0,1|3,0,0]=4 1394 B13R1.90 C[C@@H](O)CSc1nccnc1CO 62a_100000057004_100009817552 [0,0,0,0,0,1|3,0,0]=4 1395 B13R1.90 C[C@@H](O)CSc1nccnc1CO 62a_100009817552_100000057004 [0,0,0,0,0,1|3,0,0]=4 1396 B13R1.90 C[C@@H](O)CSc1nccnc1NN 62a_100009817552_100000755098 [0,0,0,0,0,1|3,0,0]=4 1397 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [2,0,0,0,0,0|0,0,2]=4 1398 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [2,0,0,0,0,0|2,0,0]=4 1399 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [2,0,0,0,0,0|1,0,0]=3 1400 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [2,0,0,0,0,0|2,0,0]=4 1401 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [2,0,0,0,0,0|2,0,0]=4 1402 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [2,0,0,0,0,0|2,0,0]=4 1403 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [2,0,0,0,0,0|2,0,0]=4 1404 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [2,0,0,0,0,0|2,0,0]=4 1405 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [2,0,0,0,0,0|1,0,0]=3 1406 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [2,0,0,0,0,0|1,0,0]=3 1407 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [2,0,0,0,0,0|2,0,0]=4 1408 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [2,0,0,0,0,0|2,0,0]=4 1409 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [2,0,0,0,0,0|2,0,0]=4 1410 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [2,0,0,0,0,0|2,0,0]=4 1411 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [2,0,0,0,0,0|2,0,0]=4 1412 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [2,0,0,0,0,0|2,0,0]=4 1413 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [2,0,0,0,0,0|2,0,0]=4 1414 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [2,0,0,0,0,0|2,0,0]=4 1415 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [2,0,0,0,0,0|1,0,0]=3 1416 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [2,0,0,0,0,0|1,0,0]=3 1417 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [2,0,0,0,0,0|2,0,0]=4 1418 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [2,0,0,0,0,0|2,0,0]=4 1419 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [2,0,0,0,0,0|2,0,0]=4 1420 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [2,0,0,0,0,0|2,0,0]=4 1421 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [2,0,0,0,0,0|2,0,0]=4 1422 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [2,0,0,0,0,0|2,0,0]=4 1423 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [2,0,0,0,0,0|2,0,0]=4 1424 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [2,0,0,0,0,0|2,0,0]=4 1425 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [2,0,0,0,0,0|2,0,0]=4 1426 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [2,0,0,0,0,0|2,0,0]=4 1427 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [2,0,0,0,0,0|2,0,0]=4 1428 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [2,0,0,0,0,0|2,0,0]=4 1429 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [2,0,0,0,0,0|2,0,0]=4 1430 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [2,0,0,0,0,0|2,0,0]=4 1431 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [2,0,0,0,0,0|2,0,0]=4 1432 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [2,0,0,0,0,0|2,0,0]=4 1433 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [2,0,0,0,0,0|2,0,0]=4 1434 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [2,0,0,0,0,0|2,0,0]=4 1435 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [2,0,0,0,0,0|2,0,0]=4 1436 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [2,0,0,0,0,0|2,0,0]=4 1437 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [2,0,0,0,0,0|2,0,0]=4 1438 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [2,0,0,0,0,0|2,0,0]=4 1439 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [2,0,0,0,0,0|1,0,0]=3 1440 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [2,0,0,0,0,0|1,0,0]=3 1441 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [2,0,0,0,0,0|1,0,0]=3 1442 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [2,0,0,0,0,0|2,0,0]=4 1443 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [2,0,0,0,0,0|2,0,0]=4 1444 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [2,0,0,0,0,0|2,0,0]=4 1445 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [2,0,0,0,0,0|2,0,0]=4 1446 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [2,0,0,0,0,0|2,0,0]=4 1447 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [2,0,0,0,0,0|2,0,0]=4 1448 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [2,0,0,0,0,0|2,0,0]=4 1449 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [2,0,0,0,0,0|2,0,0]=4 1450 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [2,0,0,0,0,0|2,0,0]=4 1451 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [2,0,0,0,0,0|2,0,0]=4 1452 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [2,0,0,0,0,0|2,0,0]=4 1453 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [2,0,0,0,0,0|2,0,0]=4 1454 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [2,0,0,0,0,0|2,0,0]=4 1455 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [2,0,0,0,0,0|2,0,0]=4 1456 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [2,0,0,0,0,0|2,0,0]=4 1457 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [2,0,0,0,0,0|2,0,0]=4 1458 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [2,0,0,0,0,0|2,0,0]=4 1459 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [2,0,0,0,0,0|2,0,0]=4 1460 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [2,0,0,0,0,0|2,0,0]=4 1461 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [2,0,0,0,0,0|2,0,0]=4 1462 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [2,0,0,0,0,0|2,0,0]=4 1463 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [2,0,0,0,0,0|2,0,0]=4 1464 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [2,0,0,0,0,0|1,0,0]=3 1465 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [2,0,0,0,0,0|1,0,0]=3 1466 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [2,0,0,0,0,0|2,0,0]=4 1467 B10R1.4 Cc1nccnc1SCF 62a_100011999405_100015361967 [2,0,0,0,0,0|2,0,0]=4 1468 B10R1.4 Cc1nccnc1SCF 62a_100015361967_100011999405 [2,0,0,0,0,0|2,0,0]=4 1469 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [2,0,0,0,0,0|2,0,0]=4 1470 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [2,0,0,0,0,0|2,0,0]=4 1471 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [2,0,0,0,0,0|2,0,0]=4 1472 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [2,0,0,0,0,0|2,0,0]=4 1473 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [2,0,0,0,0,0|1,0,1]=4 1474 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [2,0,0,0,0,0|0,0,2]=4 1475 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [2,0,0,0,0,0|2,0,0]=4 1476 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [2,0,0,0,0,0|2,0,0]=4 1477 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [2,0,0,0,0,0|2,0,0]=4 1478 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [2,0,0,0,0,0|2,0,0]=4 1479 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [2,0,0,0,0,0|1,1,0]=4 1480 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [2,0,0,0,0,0|1,1,0]=4 1481 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [2,0,0,0,0,0|1,1,0]=4 1482 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [2,0,0,0,0,0|1,1,0]=4 1483 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [2,0,0,0,0,0|1,0,0]=3 1484 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [2,0,0,0,0,0|0,1,0]=3 1485 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [2,0,0,0,0,0|0,1,0]=3 1486 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [2,0,0,0,0,0|0,1,0]=3 1487 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [2,0,0,0,0,0|0,1,0]=3 1488 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [2,0,0,0,0,0|1,0,0]=3 1489 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [2,0,0,0,0,0|1,1,0]=4 1490 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [2,0,0,0,0,0|1,1,0]=4 1491 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [2,0,0,0,0,0|2,0,0]=4 1492 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [2,0,0,0,0,0|2,0,0]=4 1493 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [2,0,0,0,0,0|2,0,0]=4 1494 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [2,0,0,0,0,0|2,0,0]=4 1495 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [2,0,0,0,0,0|2,0,0]=4 1496 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [2,0,0,0,0,0|2,0,0]=4 1497 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [2,0,0,0,0,0|2,0,0]=4 1498 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [2,0,0,0,0,0|2,0,0]=4 1499 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [2,0,0,0,0,0|2,0,0]=4 1500 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [2,0,0,0,0,0|2,0,0]=4 1501 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [2,0,0,0,0,0|2,0,0]=4 1502 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [2,0,0,0,0,0|2,0,0]=4 1503 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [2,0,0,0,0,0|2,0,0]=4 1504 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [2,0,0,0,0,0|2,0,0]=4 1505 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [2,0,0,0,0,0|2,0,0]=4 1506 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [2,0,0,0,0,0|2,0,0]=4 1507 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [2,0,0,0,0,0|2,0,0]=4 1508 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [2,0,0,0,0,0|1,0,0]=3 1509 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [2,0,0,0,0,0|1,0,0]=3 1510 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [2,0,0,0,0,0|1,0,0]=3 1511 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [2,0,0,0,0,0|1,0,0]=3 1512 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [2,0,0,0,0,0|1,1,0]=4 1513 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [2,0,0,0,0,0|1,1,0]=4 1514 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [2,0,0,0,0,0|1,1,0]=4 1515 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [2,0,0,0,0,0|1,1,0]=4 1516 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [2,0,0,0,0,0|2,0,0]=4 1517 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [2,0,0,0,0,0|2,0,0]=4 1518 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [2,0,0,0,0,0|2,0,0]=4 1519 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [2,0,0,0,0,0|1,1,0]=4 1520 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [2,0,0,0,0,0|1,1,0]=4 1521 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [2,0,0,0,0,0|1,1,0]=4 1522 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [2,0,0,0,0,0|1,1,0]=4 1523 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [2,0,0,0,0,0|0,0,2]=4 1524 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [2,0,0,0,0,0|1,0,1]=4 1525 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [2,0,0,0,0,0|1,0,0]=3 1526 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 1527 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 1528 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [2,0,0,0,0,0|2,0,0]=4 1529 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [2,0,0,0,0,0|2,0,0]=4 1530 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [2,0,0,0,0,0|2,0,0]=4 1531 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [2,0,0,0,0,0|2,0,0]=4 1532 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [2,0,0,0,0,0|1,0,0]=3 1533 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [2,0,0,0,0,0|1,0,0]=3 1534 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 1535 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 1536 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 1537 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 1538 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [2,0,0,0,0,0|2,0,0]=4 1539 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1540 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [2,0,0,0,0,0|2,0,0]=4 1541 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1542 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [2,0,0,0,0,0|2,0,0]=4 1543 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [2,0,0,0,0,0|2,0,0]=4 1544 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [2,0,0,0,0,0|1,0,0]=3 1545 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [2,0,0,0,0,0|1,0,0]=3 1546 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [2,0,0,0,0,0|1,0,0]=3 1547 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [2,0,0,0,0,0|1,0,0]=3 1548 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [2,0,0,0,0,0|1,0,0]=3 1549 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 1550 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 1551 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1552 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1553 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [2,0,0,0,0,0|1,0,0]=3 1554 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [2,0,0,0,0,0|1,0,0]=3 1555 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [1,1,0,0,0,0|2,0,0]=4 1556 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [1,1,0,0,0,0|2,0,0]=4 1557 B12R1.77 CCc1nccnc1C(C)NC 269862a_106832991636_100000033879 [1,1,0,0,0,0|2,0,0]=4 1558 B12R1.77 CNC(C)c1cccnc1OC 269862a_106832991636_100012184464 [1,1,0,0,0,0|2,0,0]=4 1559 B12R1.77 CNC(C)c1ncccc1OC 269862a_106832991636_100012185210 [1,1,0,0,0,0|2,0,0]=4 1560 B12R1.112 CC=Cc1ncc(nc1OC)Br 271570a_100016259895_100010214903 [1,1,0,0,0,0|0,0,2]=4 1561 B12R1.112 CC=Cc1ncc(nc1OC)N 271570a_100016259895_100010128448 [1,1,0,0,0,0|0,0,2]=4 1562 B12R1.112 CCOc1ccc(nc1OC)Br 34a_100010893133_100000210202 [1,1,0,0,0,0|2,0,0]=4 1563 B12R1.112 CCOc1ncc(cc1OC)Cl 34a_200009845368_100000210202 [1,1,0,0,0,0|2,0,0]=4 1564 B12R1.112 CCOc1ncc(cc1OC)O 271570a_203496583355_200010116856 [1,1,0,0,0,0|2,0,0]=4 1565 B12R1.112 CCSc1ccc(nc1OC)C 62a_100000210202_100010138632 [1,1,0,0,0,0|2,0,0]=4 1566 B12R1.112 CCSc1ccc(nc1OC)C 62a_100010138632_100000210202 [1,1,0,0,0,0|2,0,0]=4 1567 B12R1.112 CCSc1ccc(nc1OC)N 62a_100000210202_100010187630 [1,1,0,0,0,0|2,0,0]=4 1568 B12R1.112 CCSc1ccc(nc1OC)N 62a_100010187630_100000210202 [1,1,0,0,0,0|2,0,0]=4 1569 B12R1.112 CCSc1ncc(cc1OC)C 62a_100000210202_200000118316 [1,1,0,0,0,0|2,0,0]=4 1570 B12R1.112 CCSc1ncc(cc1OC)F 62a_100000210202_100009867738 [1,1,0,0,0,0|2,0,0]=4 1571 B12R1.112 CCSc1ncc(cc1OC)F 62a_100010136273_100000210202 [1,1,0,0,0,0|2,0,0]=4 1572 B12R1.112 CCSc1ncc(cc1OC)N 62a_100000210202_100000097218 [1,1,0,0,0,0|2,0,0]=4 1573 B12R1.112 CCSc1ncc(cc1OC)N 62a_200010291755_100000210202 [1,1,0,0,0,0|2,0,0]=4 1574 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100000210202_100010214903 [1,1,0,0,0,0|1,0,0]=3 1575 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100010214903_100000210202 [1,1,0,0,0,0|1,0,0]=3 1576 B12R1.112 CCSc1ncc(nc1OC)N 62a_100000210202_100010128448 [1,1,0,0,0,0|1,0,0]=3 1577 B12R1.112 CCSc1ncc(nc1OC)N 62a_100010128448_100000210202 [1,1,0,0,0,0|1,0,0]=3 1578 B12R1.112 CNCc1ccc(nc1OC)Br 2230a_106832991635_100016029037 [1,1,0,0,0,0|2,0,0]=4 1579 B12R1.112 CNCc1ccc(nc1OC)Br 34a_100102657272_100016029037 [1,1,0,0,0,0|2,0,0]=4 1580 B12R1.112 CNCc1ccc(nc1OC)Br 7a_106832991635_100016029037 [1,1,0,0,0,0|2,0,0]=4 1581 B12R1.112 CNCc1ccc(nc1OC)Cl 2230a_100015687481_200000210301 [1,1,0,0,0,0|2,0,0]=4 1582 B12R1.112 CNCc1ccc(nc1OC)Cl 34a_100015687481_200000210301 [1,1,0,0,0,0|2,0,0]=4 1583 B12R1.112 CNCc1ncc(cc1OC)Br 207a_100102657272_100010246152 [1,1,0,0,0,0|2,0,0]=4 1584 B12R1.112 CNCc1ncc(cc1OC)Br 270004a_106832991635_100010246152 [1,1,0,0,0,0|2,0,0]=4 1585 B12R1.112 COCc1ccc(nc1OC)Br 34a_100010988397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1586 B12R1.112 COCc1ccc(nc1OC)Br 34a_100138415774_100016029037 [1,1,0,0,0,0|2,0,0]=4 1587 B12R1.112 COCc1ccc(nc1OC)Cl 34a_200009869906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1588 B12R1.112 COCc1ncc(cc1OC)Br 34a_200010246159_200000210301 [1,1,0,0,0,0|2,0,0]=4 1589 B12R1.112 COCc1ncc(cc1OC)Br 7a_200010246159_200000210301 [1,1,0,0,0,0|2,0,0]=4 1590 B12R1.112 COc1cc(cnc1CO[13CH3])Br 34a_200010246159_200025704644 [1,1,0,0,0,0|2,0,0]=4 1591 B12R1.112 COc1cc(cnc1CO[13CH3])Br 7a_200010246159_200025704644 [1,1,0,0,0,0|2,0,0]=4 1592 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 2230a_100015687481_200025704644 [1,1,0,0,0,0|2,0,0]=4 1593 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 34a_100015687481_200025704644 [1,1,0,0,0,0|2,0,0]=4 1594 B12R1.112 COc1nc(ccc1CO[13CH3])Br 34a_100010988397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1595 B12R1.112 COc1nc(ccc1CO[13CH3])Cl 34a_200009869906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1596 B12R1.112 COc1nc(ccc1CSC)Br 62a_100016029037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1597 B12R1.112 COc1nc(ccc1CSC)Br 62a_200000210301_100016029037 [1,1,0,0,0,0|2,0,0]=4 1598 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_100016029037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1599 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_200025704644_100016029037 [1,1,0,0,0,0|2,0,0]=4 1600 B12R1.112 COc1nc(cnc1SCF)Br 62a_100010214903_100015361967 [1,1,0,0,0,0|2,0,0]=4 1601 B12R1.112 COc1nc(cnc1SCF)Br 62a_100015361967_100010214903 [1,1,0,0,0,0|2,0,0]=4 1602 B12R1.112 COc1nc(cnc1SCF)N 62a_100010128448_100015361967 [1,1,0,0,0,0|2,0,0]=4 1603 B12R1.112 COc1nc(cnc1SCF)N 62a_100015361967_100010128448 [1,1,0,0,0,0|2,0,0]=4 1604 B12R1.121 C#CCNc1nccnc1OC 27a_100000212058_100009858322 [1,1,0,0,0,0|0,0,2]=4 1605 B12R1.121 C#CCSc1nccnc1OC 62a_100000038162_100000749998 [1,1,0,0,0,0|0,0,2]=4 1606 B12R1.121 C=CCNc1nccnc1OC 27a_100020586998_100009858322 [1,1,0,0,0,0|0,0,2]=4 1607 B12R1.121 C=CCSc1nccnc1OC 62a_100000210623_100000749998 [1,1,0,0,0,0|0,0,2]=4 1608 B12R1.121 C=CCSc1nccnc1OC 62a_100009858322_100000210623 [1,1,0,0,0,0|0,0,2]=4 1609 B12R1.121 CC=NNc1nccnc1OC 4a_100000702116_200000210099 [1,1,0,0,0,0|1,0,1]=4 1610 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [1,1,0,0,0,0|2,0,0]=4 1611 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [1,1,0,0,0,0|2,0,0]=4 1612 B12R1.121 CCCCc1cccnc1NC 271570a_100020621405_100000700899 [1,1,0,0,0,0|2,0,0]=4 1613 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [1,1,0,0,0,0|1,0,0]=3 1614 B12R1.121 CCCCc1cccnc1SC 271570a_100020621405_100011465278 [1,1,0,0,0,0|1,1,0]=4 1615 B12R1.121 CCCCc1cncnc1OC 271570a_100020621405_100000719902 [1,1,0,0,0,0|2,0,0]=4 1616 B12R1.121 CCCCc1ncccc1NC 271570a_100020621405_200011806188 [1,1,0,0,0,0|2,0,0]=4 1617 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [1,1,0,0,0,0|1,0,0]=3 1618 B12R1.121 CCCCc1nccnc1C#N 271570a_100020621405_100000040484 [1,1,0,0,0,0|2,0,0]=4 1619 B12R1.121 CCCCc1nccnc1CC 271570a_100020621405_100011995844 [1,1,0,0,0,0|1,0,0]=3 1620 B12R1.121 CCCCc1nccnc1CN 271570a_100020621405_100000729963 [1,1,0,0,0,0|2,0,0]=4 1621 B12R1.121 CCCCc1nccnc1CO 271570a_100020621405_100000057004 [1,1,0,0,0,0|2,0,0]=4 1622 B12R1.121 CCCCc1nccnc1NC 271570a_100020621405_100011529439 [1,1,0,0,0,0|1,0,0]=3 1623 B12R1.121 CCCCc1nccnc1NN 271570a_100020621405_100000755098 [1,1,0,0,0,0|2,0,0]=4 1624 B12R1.121 CCCCc1nccnc1OC 271570a_100020621405_100000749998 [1,1,0,0,0,0|0,0,0]=2 1625 B12R1.121 CCCCc1ncncc1OC 271570a_100020621405_100012001275 [1,1,0,0,0,0|2,0,0]=4 1626 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [1,1,0,0,0,0|2,0,0]=4 1627 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [1,1,0,0,0,0|2,0,0]=4 1628 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [1,1,0,0,0,0|2,0,0]=4 1629 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [1,1,0,0,0,0|2,0,0]=4 1630 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [1,1,0,0,0,0|2,0,0]=4 1631 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [1,1,0,0,0,0|2,0,0]=4 1632 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [1,1,0,0,0,0|1,0,0]=3 1633 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [1,1,0,0,0,0|1,0,0]=3 1634 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [1,1,0,0,0,0|1,0,0]=3 1635 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [1,1,0,0,0,0|1,1,0]=4 1636 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [1,1,0,0,0,0|1,1,0]=4 1637 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [1,1,0,0,0,0|1,1,0]=4 1638 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [1,1,0,0,0,0|1,1,0]=4 1639 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [1,1,0,0,0,0|2,0,0]=4 1640 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [1,1,0,0,0,0|2,0,0]=4 1641 B12R1.121 CCCSc1cccnc1CC 62a_100000210303_100009877225 [1,1,0,0,0,0|2,0,0]=4 1642 B12R1.121 CCCSc1cccnc1CC 62a_100009877225_100000210303 [1,1,0,0,0,0|2,0,0]=4 1643 B12R1.121 CCCSc1cccnc1NC 62a_100000210303_100000700899 [1,1,0,0,0,0|2,0,0]=4 1644 B12R1.121 CCCSc1cccnc1NC 62a_100000700899_100000210303 [1,1,0,0,0,0|2,0,0]=4 1645 B12R1.121 CCCSc1cccnc1OC 62a_100000047025_100000210303 [1,1,0,0,0,0|1,0,0]=3 1646 B12R1.121 CCCSc1cccnc1OC 62a_100000210303_100000047025 [1,1,0,0,0,0|1,0,0]=3 1647 B12R1.121 CCCSc1cccnc1SC 62a_100000210303_100011465278 [1,1,0,0,0,0|1,1,0]=4 1648 B12R1.121 CCCSc1cccnc1SC 62a_100011465278_100000210303 [1,1,0,0,0,0|1,1,0]=4 1649 B12R1.121 CCCSc1cncnc1OC 62a_100000210303_100000719902 [1,1,0,0,0,0|2,0,0]=4 1650 B12R1.121 CCCSc1cncnc1OC 62a_100000719902_100000210303 [1,1,0,0,0,0|2,0,0]=4 1651 B12R1.121 CCCSc1ncccc1NC 62a_100000210303_200011806188 [1,1,0,0,0,0|2,0,0]=4 1652 B12R1.121 CCCSc1ncccc1OC 62a_100000210303_100000690851 [1,1,0,0,0,0|1,0,0]=3 1653 B12R1.121 CCCSc1ncccc1OC 62a_100000767102_100000210303 [1,1,0,0,0,0|1,0,0]=3 1654 B12R1.121 CCCSc1nccnc1C#N 62a_100000210303_100000040484 [1,1,0,0,0,0|2,0,0]=4 1655 B12R1.121 CCCSc1nccnc1C=O 62a_100000051000_100000210303 [1,1,0,0,0,0|2,0,0]=4 1656 B12R1.121 CCCSc1nccnc1C=O 62a_100000210303_100000051000 [1,1,0,0,0,0|2,0,0]=4 1657 B12R1.121 CCCSc1nccnc1CC 62a_100000210303_100011995844 [1,1,0,0,0,0|1,0,0]=3 1658 B12R1.121 CCCSc1nccnc1CC 62a_100011995844_100000210303 [1,1,0,0,0,0|1,0,0]=3 1659 B12R1.121 CCCSc1nccnc1CN 62a_100000210303_100000729963 [1,1,0,0,0,0|2,0,0]=4 1660 B12R1.121 CCCSc1nccnc1CN 62a_100000729963_100000210303 [1,1,0,0,0,0|2,0,0]=4 1661 B12R1.121 CCCSc1nccnc1CO 62a_100000057004_100000210303 [1,1,0,0,0,0|2,0,0]=4 1662 B12R1.121 CCCSc1nccnc1CO 62a_100000210303_100000057004 [1,1,0,0,0,0|2,0,0]=4 1663 B12R1.121 CCCSc1nccnc1NC 62a_100000210303_100011529439 [1,1,0,0,0,0|1,0,0]=3 1664 B12R1.121 CCCSc1nccnc1NN 62a_100000210303_100000755098 [1,1,0,0,0,0|2,0,0]=4 1665 B12R1.121 CCCSc1nccnc1OC 62a_100000210303_100000749998 [1,1,0,0,0,0|0,0,0]=2 1666 B12R1.121 CCCSc1nccnc1OC 62a_100009858322_100000210303 [1,1,0,0,0,0|0,0,0]=2 1667 B12R1.121 CCCSc1ncncc1OC 62a_100000210303_100012001275 [1,1,0,0,0,0|2,0,0]=4 1668 B12R1.121 CCCSc1ncncc1OC 62a_100012001275_100000210303 [1,1,0,0,0,0|2,0,0]=4 1669 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [1,1,0,0,0,0|2,0,0]=4 1670 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [1,1,0,0,0,0|2,0,0]=4 1671 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [1,1,0,0,0,0|2,0,0]=4 1672 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [1,1,0,0,0,0|2,0,0]=4 1673 B12R1.121 CCNCc1cccnc1OC 207a_100015525214_100011290804 [1,1,0,0,0,0|1,0,0]=3 1674 B12R1.121 CCNCc1cccnc1OC 2230a_100015525214_100020631285 [1,1,0,0,0,0|1,0,0]=3 1675 B12R1.121 CCNCc1cccnc1OC 270004a_100015525214_100011290804 [1,1,0,0,0,0|1,0,0]=3 1676 B12R1.121 CCNCc1ncccc1OC 207a_100015525214_100011912573 [1,1,0,0,0,0|1,0,0]=3 1677 B12R1.121 CCNCc1ncccc1OC 270004a_100015525214_100011912573 [1,1,0,0,0,0|1,0,0]=3 1678 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [1,1,0,0,0,0|2,0,0]=4 1679 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [1,1,0,0,0,0|2,0,0]=4 1680 B12R1.121 CCOCc1cccnc1OC 34a_100000717863_100000210202 [1,1,0,0,0,0|1,0,0]=3 1681 B12R1.121 CCOCc1cccnc1OC 34a_100121572206_100020631285 [1,1,0,0,0,0|1,0,0]=3 1682 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [1,1,0,0,0,0|1,0,0]=3 1683 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [1,1,0,0,0,0|2,0,0]=4 1684 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [1,1,0,0,0,0|2,0,0]=4 1685 B12R1.121 CCSCc1cccnc1OC 62a_100000210202_100020631285 [1,1,0,0,0,0|1,0,0]=3 1686 B12R1.121 CCSCc1cccnc1OC 62a_100020631285_100000210202 [1,1,0,0,0,0|1,0,0]=3 1687 B12R1.121 CCc1nccnc1NCCO 27a_100000210304_100011995844 [1,1,0,0,0,0|2,0,0]=4 1688 B12R1.121 CCc1nccnc1SCCF 62a_100011217306_100011995844 [1,1,0,0,0,0|2,0,0]=4 1689 B12R1.121 CCc1nccnc1SCCF 62a_100011995844_100011217306 [1,1,0,0,0,0|2,0,0]=4 1690 B12R1.121 CCc1nccnc1SCCO 62a_100000211926_100011995844 [1,1,0,0,0,0|2,0,0]=4 1691 B12R1.121 CCc1nccnc1SCCO 62a_100011995844_100000211926 [1,1,0,0,0,0|2,0,0]=4 1692 B12R1.121 CCc1nccnc1SCOC 62a_100000766300_100011995844 [1,1,0,0,0,0|2,0,0]=4 1693 B12R1.121 CCc1nccnc1SCOC 62a_100011995844_100000766300 [1,1,0,0,0,0|2,0,0]=4 1694 B12R1.121 CCc1nccnc1SCSC 62a_100011218213_100011995844 [1,1,0,0,0,0|2,0,0]=4 1695 B12R1.121 CCc1nccnc1SCSC 62a_100011995844_100011218213 [1,1,0,0,0,0|2,0,0]=4 1696 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [1,1,0,0,0,0|2,0,0]=4 1697 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [1,1,0,0,0,0|2,0,0]=4 1698 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [1,1,0,0,0,0|2,0,0]=4 1699 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [1,1,0,0,0,0|2,0,0]=4 1700 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [1,1,0,0,0,0|2,0,0]=4 1701 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [1,1,0,0,0,0|2,0,0]=4 1702 B12R1.121 CNc1nccnc1SCCF 62a_100011217306_100011529439 [1,1,0,0,0,0|2,0,0]=4 1703 B12R1.121 CNc1nccnc1SCCO 62a_100000211926_100011529439 [1,1,0,0,0,0|2,0,0]=4 1704 B12R1.121 CNc1nccnc1SCOC 62a_100000766300_100011529439 [1,1,0,0,0,0|2,0,0]=4 1705 B12R1.121 CNc1nccnc1SCSC 62a_100011218213_100011529439 [1,1,0,0,0,0|2,0,0]=4 1706 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [1,1,0,0,0,0|2,0,0]=4 1707 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [1,1,0,0,0,0|2,0,0]=4 1708 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [1,1,0,0,0,0|2,0,0]=4 1709 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [1,1,0,0,0,0|2,0,0]=4 1710 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [1,1,0,0,0,0|2,0,0]=4 1711 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [1,1,0,0,0,0|2,0,0]=4 1712 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [1,1,0,0,0,0|2,0,0]=4 1713 B12R1.121 COCSc1cccnc1OC 62a_100000047025_100000766300 [1,1,0,0,0,0|2,0,0]=4 1714 B12R1.121 COCSc1cccnc1OC 62a_100000766300_100000047025 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.121 COCSc1ncccc1OC 62a_100000766300_100000690851 [1,1,0,0,0,0|2,0,0]=4 1716 B12R1.121 COCSc1ncccc1OC 62a_100000767102_100000766300 [1,1,0,0,0,0|2,0,0]=4 1717 B12R1.121 COCSc1nccnc1OC 62a_100000766300_100000749998 [1,1,0,0,0,0|1,0,0]=3 1718 B12R1.121 COCSc1nccnc1OC 62a_100009858322_100000766300 [1,1,0,0,0,0|1,0,0]=3 1719 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [1,1,0,0,0,0|2,0,0]=4 1720 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [1,1,0,0,0,0|2,0,0]=4 1721 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [1,1,0,0,0,0|2,0,0]=4 1722 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [1,1,0,0,0,0|2,0,0]=4 1723 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1724 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [1,1,0,0,0,0|2,0,0]=4 1725 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1726 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [1,1,0,0,0,0|2,0,0]=4 1727 B12R1.121 COc1cccnc1COCF 34a_100011998681_100015361967 [1,1,0,0,0,0|2,0,0]=4 1728 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [1,1,0,0,0,0|2,0,0]=4 1729 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [1,1,0,0,0,0|2,0,0]=4 1730 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [1,1,0,0,0,0|2,0,0]=4 1731 B12R1.121 COc1cccnc1SCCF 62a_100000767102_100011217306 [1,1,0,0,0,0|2,0,0]=4 1732 B12R1.121 COc1cccnc1SCCF 62a_100011217306_100000690851 [1,1,0,0,0,0|2,0,0]=4 1733 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [1,1,0,0,0,0|2,0,0]=4 1734 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [1,1,0,0,0,0|2,0,0]=4 1735 B12R1.121 COc1cccnc1SCSC 62a_100000767102_100011218213 [1,1,0,0,0,0|2,0,0]=4 1736 B12R1.121 COc1cccnc1SCSC 62a_100011218213_100000690851 [1,1,0,0,0,0|2,0,0]=4 1737 B12R1.121 COc1ncccc1COCF 34a_100000717863_100015361967 [1,1,0,0,0,0|2,0,0]=4 1738 B12R1.121 COc1ncccc1CSCF 62a_100015361967_100020631285 [1,1,0,0,0,0|2,0,0]=4 1739 B12R1.121 COc1ncccc1CSCF 62a_100020631285_100015361967 [1,1,0,0,0,0|2,0,0]=4 1740 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [1,1,0,0,0,0|2,0,0]=4 1741 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [1,1,0,0,0,0|2,0,0]=4 1742 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [1,1,0,0,0,0|2,0,0]=4 1743 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [1,1,0,0,0,0|2,0,0]=4 1744 B12R1.121 COc1ncccc1OCSC 34a_100000698397_100011218213 [1,1,0,0,0,0|2,0,0]=4 1745 B12R1.121 COc1ncccc1SCCF 62a_100000047025_100011217306 [1,1,0,0,0,0|2,0,0]=4 1746 B12R1.121 COc1ncccc1SCCF 62a_100011217306_100000047025 [1,1,0,0,0,0|2,0,0]=4 1747 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [1,1,0,0,0,0|2,0,0]=4 1748 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [1,1,0,0,0,0|2,0,0]=4 1749 B12R1.121 COc1ncccc1SCSC 62a_100000047025_100011218213 [1,1,0,0,0,0|2,0,0]=4 1750 B12R1.121 COc1ncccc1SCSC 62a_100011218213_100000047025 [1,1,0,0,0,0|2,0,0]=4 1751 B12R1.121 COc1nccnc1NCCO 27a_100000210304_100009858322 [1,1,0,0,0,0|1,0,0]=3 1752 B12R1.121 COc1nccnc1SCC#N 62a_100009858322_100011215382 [1,1,0,0,0,0|1,0,1]=4 1753 B12R1.121 COc1nccnc1SCC#N 62a_100011215382_100000749998 [1,1,0,0,0,0|1,0,1]=4 1754 B12R1.121 COc1nccnc1SCC=O 62a_100009858322_200015260668 [1,1,0,0,0,0|1,0,1]=4 1755 B12R1.121 COc1nccnc1SCC=O 62a_200015260668_100000749998 [1,1,0,0,0,0|1,0,1]=4 1756 B12R1.121 COc1nccnc1SCCF 62a_100009858322_100011217306 [1,1,0,0,0,0|1,0,0]=3 1757 B12R1.121 COc1nccnc1SCCF 62a_100011217306_100000749998 [1,1,0,0,0,0|1,0,0]=3 1758 B12R1.121 COc1nccnc1SCCO 62a_100000211926_100000749998 [1,1,0,0,0,0|1,0,0]=3 1759 B12R1.121 COc1nccnc1SCCO 62a_100009858322_100000211926 [1,1,0,0,0,0|1,0,0]=3 1760 B12R1.121 COc1nccnc1SCSC 62a_100009858322_100011218213 [1,1,0,0,0,0|1,0,0]=3 1761 B12R1.121 COc1nccnc1SCSC 62a_100011218213_100000749998 [1,1,0,0,0,0|1,0,0]=3 1762 B12R1.121 CSc1nccnc1NCCO 62a_200000210301_200011219046 [1,1,0,0,0,0|1,1,0]=4 1763 B12R1.121 CSc1nccnc1NCCO 62a_200011219046_200000210301 [1,1,0,0,0,0|1,1,0]=4 1764 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200011219046_200025704644 [1,1,0,0,0,0|1,1,0]=4 1765 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200025704644_200011219046 [1,1,0,0,0,0|1,1,0]=4 1766 B12R1.169 CC=Cc1nccnc1OCC 271570a_100016259895_200010128176 [1,1,0,0,0,0|0,0,2]=4 1767 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [1,1,0,0,0,0|2,0,0]=4 1768 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [1,1,0,0,0,0|2,0,0]=4 1769 B12R1.169 CCCc1ccccc1OCF 34a_100011217252_100015361967 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.169 CCCc1ccccc1OCF 7a_100011217252_100015361967 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.169 CCNc1nccnc1OCC 27a_100015525214_200010128176 [1,1,0,0,0,0|1,0,0]=3 1772 B12R1.169 CCOc1cccnc1CNC 207a_100102657272_100009876934 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.169 CCOc1cccnc1CNC 270004a_106832991635_100009876934 [1,1,0,0,0,0|2,0,0]=4 1774 B12R1.169 CCOc1cccnc1OCC 34a_100011998697_100000210202 [1,1,0,0,0,0|2,0,0]=4 1775 B12R1.169 CCOc1cccnc1SCC 62a_100000210202_100011597540 [1,1,0,0,0,0|2,0,0]=4 1776 B12R1.169 CCOc1cccnc1SCC 62a_100011597540_100000210202 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.169 CCOc1ncccc1CNC 207a_100102657272_100011290805 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.169 CCOc1ncccc1CNC 270004a_106832991635_100011290805 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.169 CCOc1ncccc1OCF 34a_100011998697_100015361967 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.169 CCOc1ncccc1SCC 62a_100000210202_100011465154 [1,1,0,0,0,0|2,0,0]=4 1781 B12R1.169 CCOc1ncccc1SCC 62a_100011465154_100000210202 [1,1,0,0,0,0|2,0,0]=4 1782 B12R1.169 CCOc1nccnc1SCC 62a_100000210202_200010128176 [1,1,0,0,0,0|1,0,0]=3 1783 B12R1.169 CCOc1nccnc1SCC 62a_200010128176_100000210202 [1,1,0,0,0,0|1,0,0]=3 1784 B12R1.169 CCOc1nccnc1SCF 62a_100015361967_200010128176 [1,1,0,0,0,0|1,1,0]=4 1785 B12R1.169 CCOc1nccnc1SCF 62a_200010128176_100015361967 [1,1,0,0,0,0|1,1,0]=4 1786 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [1,1,0,0,0,0|2,0,0]=4 1787 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100000210202_100009814608 [1,1,0,0,0,0|2,0,0]=4 1788 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100009814608_100000210202 [1,1,0,0,0,0|2,0,0]=4 1789 B12R1.268 CCSc1cc(cnc1OC)C 62a_100000210202_100012353929 [1,1,0,0,0,0|2,0,0]=4 1790 B12R1.268 CCSc1cc(cnc1OC)C 62a_100012353929_100000210202 [1,1,0,0,0,0|2,0,0]=4 1791 B12R1.268 CCSc1cc(cnc1OC)F 62a_100000210202_100009828472 [1,1,0,0,0,0|2,0,0]=4 1792 B12R1.268 CCSc1cc(cnc1OC)F 62a_100009828472_100000210202 [1,1,0,0,0,0|2,0,0]=4 1793 B12R1.268 CCSc1cc(cnc1OC)N 62a_100000210202_100012351452 [1,1,0,0,0,0|2,0,0]=4 1794 B12R1.268 CCSc1cc(cnc1OC)N 62a_100012351452_100000210202 [1,1,0,0,0,0|2,0,0]=4 1795 B12R1.268 CCSc1nc(ccc1OC)C 62a_100000210202_100009820875 [1,1,0,0,0,0|2,0,0]=4 1796 B12R1.268 CCSc1nc(ccc1OC)C 62a_100009820875_100000210202 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.268 CCSc1nc(ccc1OC)N 62a_100000210202_100010172607 [1,1,0,0,0,0|2,0,0]=4 1798 B12R1.268 CCSc1nc(ccc1OC)N 62a_100010172607_100000210202 [1,1,0,0,0,0|2,0,0]=4 1799 B12R1.268 CNCc1cc(cnc1OC)Br 207a_100102657272_100009814609 [1,1,0,0,0,0|2,0,0]=4 1800 B12R1.268 CNCc1cc(cnc1OC)Br 2230a_106832991635_100010065838 [1,1,0,0,0,0|2,0,0]=4 1801 B12R1.268 CNCc1cc(cnc1OC)Br 270004a_106832991635_100009814609 [1,1,0,0,0,0|2,0,0]=4 1802 B12R1.268 CNCc1cc(cnc1OC)Br 34a_100102657272_100010065838 [1,1,0,0,0,0|2,0,0]=4 1803 B12R1.268 CNCc1cc(cnc1OC)Br 7a_106832991635_100010065838 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.268 CNCc1cc(cnc1OC)C 207a_100102657272_100000118322 [1,1,0,0,0,0|2,0,0]=4 1805 B12R1.268 CNCc1cc(cnc1OC)C 270004a_106832991635_100000118322 [1,1,0,0,0,0|2,0,0]=4 1806 B12R1.268 CNCc1cc(cnc1OC)F 207a_100102657272_100000081817 [1,1,0,0,0,0|2,0,0]=4 1807 B12R1.268 CNCc1cc(cnc1OC)F 270004a_106832991635_100000081817 [1,1,0,0,0,0|2,0,0]=4 1808 B12R1.268 CNCc1nc(ccc1OC)Br 270004a_106832991635_200010137984 [1,1,0,0,0,0|2,0,0]=4 1809 B12R1.268 COCc1cc(cnc1OC)Br 34a_100000695684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1810 B12R1.268 COCc1cc(cnc1OC)Br 34a_100138415774_100010065838 [1,1,0,0,0,0|2,0,0]=4 1811 B12R1.268 COCc1cc(cnc1OC)F 34a_100011997213_200000210301 [1,1,0,0,0,0|2,0,0]=4 1812 B12R1.268 COc1ncc(cc1CO[13CH3])Br 34a_100000695684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1813 B12R1.268 COc1ncc(cc1CO[13CH3])F 34a_100011997213_200025704644 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.268 COc1ncc(cc1CSC)Br 62a_100010065838_200000210301 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.268 COc1ncc(cc1CSC)Br 62a_200000210301_100010065838 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_100010065838_200025704644 [1,1,0,0,0,0|2,0,0]=4 1817 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_200025704644_100010065838 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.283 CCNc1nccnc1N(C)C 27a_100015525214_100000703087 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.283 CCOc1nccnc1N(C)C 27a_100102631434_200010128176 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.283 CCSc1nccnc1N(C)C 62a_100000210202_100000703087 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.542 CCSc1nccc(c1OC)N 62a_100000104429_100000210202 [1,1,0,0,0,0|2,0,0]=4 1826 B12R1.542 CCSc1nccc(c1OC)N 62a_100000210202_100000104429 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.542 CCSc1nccc(c1OC)O 62a_100000210202_100000104430 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.542 CNCc1nccc(c1OC)Cl 2230a_106832991635_100015371371 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.542 CNCc1nccc(c1OC)Cl 34a_100102657272_100015371371 [1,1,0,0,0,0|2,0,0]=4 1830 B12R1.542 CNCc1nccc(c1OC)Cl 7a_106832991635_100015371371 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.542 COCc1nccc(c1OC)Cl 34a_100009869429_200000210301 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.542 COCc1nccc(c1OC)Cl 34a_100138415774_100015371371 [1,1,0,0,0,0|2,0,0]=4 1833 B12R1.542 COc1c(ccnc1CO[13CH3])Cl 34a_100009869429_200025704644 [1,1,0,0,0,0|2,0,0]=4 1834 B12R1.542 COc1c(ccnc1CSC)Cl 62a_100015371371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1835 B12R1.542 COc1c(ccnc1CSC)Cl 62a_200000210301_100015371371 [1,1,0,0,0,0|2,0,0]=4 1836 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_100015371371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1837 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_200025704644_100015371371 [1,1,0,0,0,0|2,0,0]=4 1838 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100000210202_100012353928 [1,1,0,0,0,0|2,0,0]=4 1839 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100012353928_100000210202 [1,1,0,0,0,0|2,0,0]=4 1840 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100000210202_100010243811 [1,1,0,0,0,0|2,0,0]=4 1841 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100010243811_100000210202 [1,1,0,0,0,0|2,0,0]=4 1842 B12R1.1112 CNCc1c(ccnc1OC)Cl 207a_100102657272_100009849443 [1,1,0,0,0,0|2,0,0]=4 1843 B12R1.1112 CNCc1c(ccnc1OC)Cl 270004a_106832991635_100009849443 [1,1,0,0,0,0|2,0,0]=4 1844 B12R1.1112 CNCc1c(ccnc1OC)I 207a_100102657272_100010160771 [1,1,0,0,0,0|2,0,0]=4 1845 B12R1.124 CC(=C(C)c1nccnc1C)C 271570a_200000049429_100011999405 [1,1,0,0,0,0|0,0,2]=4 1846 B12R1.124 CC(C)N(C)c1nccnc1F 27a_200000211004_200010125657 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.124 Cc1nccnc1N(C)C(C)C 27a_200000211004_100011999405 [1,1,0,0,0,0|1,0,0]=3 1848 B12R1.127 CC(=Cc1nc(cnc1C)C)C 271570a_100102525489_100000211308 [1,1,0,0,0,0|0,0,2]=4 1849 B12R1.127 CC(=Cc1nc(cnc1C)N)C 271570a_100102525489_100009877824 [1,1,0,0,0,0|0,0,2]=4 1850 B12R1.127 CC(C)Sc1cc(cnc1O)Br 62a_100000210206_100010197142 [1,1,0,0,0,0|2,0,0]=4 1851 B12R1.127 CC(C)Sc1cc(cnc1O)Br 62a_100010197142_100000210206 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.127 CC(C)Sc1cc(cnc1O)Cl 62a_100000210206_100010188700 [1,1,0,0,0,0|2,0,0]=4 1853 B12R1.127 CC(C)Sc1cc(cnc1O)Cl 62a_100010188700_100000210206 [1,1,0,0,0,0|2,0,0]=4 1854 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100000210206_100010253912 [1,1,0,0,0,0|2,0,0]=4 1855 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100010253912_100000210206 [1,1,0,0,0,0|2,0,0]=4 1856 B12R1.127 CC(C)Sc1nc(ccc1O)Cl 62a_100000210206_100000696390 [1,1,0,0,0,0|2,0,0]=4 1857 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100000210206_100010382442 [1,1,0,0,0,0|2,0,0]=4 1858 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100010382442_100000210206 [1,1,0,0,0,0|2,0,0]=4 1859 B12R1.127 CC(C)Sc1nc(cnc1N)Br 62a_100000210206_100010988662 [1,1,0,0,0,0|2,0,0]=4 1860 B12R1.127 CC(C)Sc1nc(cnc1N)Br 62a_100010988662_100000210206 [1,1,0,0,0,0|2,0,0]=4 1861 B12R1.127 CN(C)Cc1cc(cnc1O)Br 270004a_100102631434_100010064889 [1,1,0,0,0,0|2,0,0]=4 1862 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 2230a_100102631434_100020630696 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 269982a_100102631434_100020630696 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100000210206_100009854376 [1,1,0,0,0,0|2,0,0]=4 1865 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100009854376_100000210206 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000210206_100000702858 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000702858_100000210206 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000126722_100000210206 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000210206_100000126722 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.127 Cc1cnc(c(c1)SC(C)C)C 62a_100000210206_100009817436 [1,1,0,0,0,0|2,0,0]=4 1871 B12R1.127 Cc1cnc(c(c1)SC(C)C)C 62a_100009817436_100000210206 [1,1,0,0,0,0|2,0,0]=4 1872 B12R1.127 Cc1cnc(c(c1)SC(C)C)O 62a_100000210206_100000719714 [1,1,0,0,0,0|2,0,0]=4 1873 B12R1.127 Cc1cnc(c(c1)SC(C)C)O 62a_100000719714_100000210206 [1,1,0,0,0,0|2,0,0]=4 1874 B12R1.127 Cc1cnc(c(n1)NC(C)C)C 27a_100138425928_100000211308 [1,1,0,0,0,0|1,0,0]=3 1875 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000210206_100000211308 [1,1,0,0,0,0|1,0,0]=3 1876 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000211308_100000210206 [1,1,0,0,0,0|1,0,0]=3 1877 B12R1.127 Cc1cnc(c(n1)SC(C)C)N 62a_100000210206_100009819049 [1,1,0,0,0,0|2,0,0]=4 1878 B12R1.127 Cc1cnc(c(n1)SC(C)C)N 62a_100009819049_100000210206 [1,1,0,0,0,0|2,0,0]=4 1879 B12R1.127 Cc1ncc(cc1CN(C)C)Cl 270004a_100102631434_100000100030 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.127 Cc1ncc(cc1OC(C)C)Br 34a_100009864810_100000210206 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.127 Cc1ncc(cc1OC(C)C)Br 7a_100009864810_100000210206 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.127 Cc1ncc(cc1SC(C)C)Br 62a_100000210206_200010090566 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.127 Cc1ncc(cc1SC(C)C)Br 62a_200010090566_100000210206 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.127 Cc1ncc(cc1SC(C)C)F 62a_100000210206_100009860710 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.127 Cc1ncc(cc1SC(C)C)F 62a_100009860710_100000210206 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.127 Cc1ncc(cc1SC(C)C)N 62a_100000210206_100011998591 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.127 Cc1ncc(cc1SC(C)C)N 62a_100011998591_100000210206 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.127 Cc1ncc(cc1SC(C)C)O 62a_100000210206_100009819603 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.127 Cc1ncc(cc1SC(C)C)O 62a_100009819603_100000210206 [1,1,0,0,0,0|2,0,0]=4 1890 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100000210206_100009877824 [1,1,0,0,0,0|1,0,0]=3 1891 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100009877824_100000210206 [1,1,0,0,0,0|1,0,0]=3 1892 B12R1.151 CC(C)(C)Oc1ncccc1O 271570a_203496583355_100011465193 [1,1,0,0,0,0|2,0,0]=4 1893 B12R1.151 CC(C)(C)Sc1cccnc1O 62a_100000211941_100000760158 [1,1,0,0,0,0|2,0,0]=4 1894 B12R1.151 CC(C)(C)Sc1cccnc1O 62a_100000760158_100000211941 [1,1,0,0,0,0|2,0,0]=4 1895 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000034122_100000211941 [1,1,0,0,0,0|2,0,0]=4 1896 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000211941_100000034122 [1,1,0,0,0,0|2,0,0]=4 1897 B12R1.151 CC(C)(C)Sc1nccnc1Cl 62a_100000211941_100010886584 [1,1,0,0,0,0|2,0,0]=4 1898 B12R1.151 CC(C)(C)Sc1nccnc1Cl 62a_100010886584_100000211941 [1,1,0,0,0,0|2,0,0]=4 1899 B12R1.151 CC(C)(C)Sc1nccnc1F 62a_100000211941_200010125657 [1,1,0,0,0,0|2,0,0]=4 1900 B12R1.151 CC(C)(C)Sc1nccnc1F 62a_200010125657_100000211941 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.151 CC(C)(C)Sc1nccnc1N 62a_100000211941_100000747729 [1,1,0,0,0,0|2,0,0]=4 1902 B12R1.151 CC(C)(C)Sc1nccnc1N 62a_100000747729_100000211941 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.151 CC(C)(N)Cc1ccccc1O 271570a_203496583355_100161000475 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000211941_100000751373 [1,1,0,0,0,0|2,0,0]=4 1905 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000751373_100000211941 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.151 Cc1ncccc1OC(C)(C)C 34a_100000745507_100000210625 [1,1,0,0,0,0|2,0,0]=4 1907 B12R1.151 Cc1ncccc1SC(C)(C)C 62a_100000211941_100000751574 [1,1,0,0,0,0|2,0,0]=4 1908 B12R1.151 Cc1ncccc1SC(C)(C)C 62a_100000751574_100000211941 [1,1,0,0,0,0|2,0,0]=4 1909 B12R1.151 Cc1nccnc1OC(C)(C)C 34a_100000766352_100000210625 [1,1,0,0,0,0|1,0,0]=3 1910 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100000211941_100011999405 [1,1,0,0,0,0|1,0,0]=3 1911 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100011999405_100000211941 [1,1,0,0,0,0|1,0,0]=3 1912 B12R1.224 CC(C)Sc1nccc(c1O)F 62a_100000210206_100009867227 [1,1,0,0,0,0|2,0,0]=4 1913 B12R1.224 CC(C)Sc1nccc(c1O)N 62a_100000210206_100009844647 [1,1,0,0,0,0|2,0,0]=4 1914 B12R1.224 Cc1c(ccnc1CN(C)C)Cl 2230a_100102631434_100020614443 [1,1,0,0,0,0|2,0,0]=4 1915 B12R1.224 Cc1c(ccnc1CN(C)C)Cl 269982a_100102631434_100020614443 [1,1,0,0,0,0|2,0,0]=4 1916 B12R1.224 Cc1c(ccnc1NC(C)C)F 27a_100138425928_100009846374 [1,1,0,0,0,0|2,0,0]=4 1917 B12R1.224 Cc1c(ccnc1OC(C)C)Br 34a_100009858498_100000210206 [1,1,0,0,0,0|2,0,0]=4 1918 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100000210206_100009846374 [1,1,0,0,0,0|2,0,0]=4 1919 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100009846374_100000210206 [1,1,0,0,0,0|2,0,0]=4 1920 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000210206_100000690622 [1,1,0,0,0,0|2,0,0]=4 1921 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000690622_100000210206 [1,1,0,0,0,0|2,0,0]=4 1922 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100000210206_100009847204 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100009847204_100000210206 [1,1,0,0,0,0|2,0,0]=4 1924 B12R1.224 Cc1ccnc(c1O)SC(C)C 62a_100000210206_100000696282 [1,1,0,0,0,0|2,0,0]=4 1925 B12R1.233 CC(=Cc1ncc(nc1C)C)C 271570a_100102525489_100000065684 [1,1,0,0,0,0|0,0,2]=4 1926 B12R1.233 CC(=Cc1ncc(nc1C)N)C 271570a_100102525489_100009818570 [1,1,0,0,0,0|0,0,2]=4 1927 B12R1.233 CC(C)Oc1ncc(cc1O)Br 271570a_203496583355_200010177600 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.233 CC(C)Oc1ncc(nc1Cl)Br 34a_100010734560_100000210206 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100000210206_100010210634 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100010210634_100000210206 [1,1,0,0,0,0|2,0,0]=4 1931 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100000210206_100010233512 [1,1,0,0,0,0|2,0,0]=4 1932 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100010233512_100000210206 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100000210206_100000079967 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100009820119_100000210206 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.233 CC(C)Sc1ncc(nc1Br)Br 62a_100000210206_100010235571 [1,1,0,0,0,0|2,0,0]=4 1936 B12R1.233 CC(C)Sc1ncc(nc1Br)Br 62a_100010235571_100000210206 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.233 CC(C)Sc1ncc(nc1Cl)Cl 62a_100000210206_100010173851 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.233 CC(C)Sc1ncc(nc1Cl)N 62a_100000210206_100010116657 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.233 CC(C)Sc1ncc(nc1Cl)N 62a_100010116657_100000210206 [1,1,0,0,0,0|2,0,0]=4 1940 B12R1.233 Cc1cc(cnc1CN(C)C)Br 270004a_100102631434_100010185443 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.233 Cc1cc(cnc1CN(C)C)Cl 270004a_100102631434_200009887756 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.233 Cc1cc(cnc1OC(C)C)Br 34a_100000685391_100000210206 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100000210206_100012353652 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100012353652_100000210206 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100000210206_100009817009 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100009817009_100000210206 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000210206_100000761747 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000761747_100000210206 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100000210206_100012000486 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100012000486_100000210206 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.233 Cc1ccc(c(n1)C)CN(C)C 270004a_100102631434_100011794427 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 34a_100011218912_100000210206 [1,1,0,0,0,0|2,0,0]=4 1953 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 7a_100011218912_100000210206 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100000210206_100009813853 [1,1,0,0,0,0|2,0,0]=4 1955 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100009813853_100000210206 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100000210206_100009817604 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100009817604_100000210206 [1,1,0,0,0,0|2,0,0]=4 1958 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 2230a_100102631434_100016990036 [1,1,0,0,0,0|2,0,0]=4 1959 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 269982a_100102631434_100016990036 [1,1,0,0,0,0|2,0,0]=4 1960 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100000210206_100009864548 [1,1,0,0,0,0|2,0,0]=4 1961 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100009864548_100000210206 [1,1,0,0,0,0|2,0,0]=4 1962 B12R1.233 Cc1cnc(c(c1)O)OC(C)C 271570a_203496583355_200012348018 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.233 Cc1cnc(c(c1)O)SC(C)C 62a_100000210206_100012000487 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000065684_100000210206 [1,1,0,0,0,0|1,0,0]=3 1965 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000210206_100000065684 [1,1,0,0,0,0|1,0,0]=3 1966 B12R1.233 Cc1nc(ccc1OC(C)C)Br 34a_100012002022_100000210206 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.233 Cc1nc(ccc1OC(C)C)Br 7a_100012002022_100000210206 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 34a_100012184626_100000210206 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 7a_100012184626_100000210206 [1,1,0,0,0,0|2,0,0]=4 1970 B12R1.233 Cc1nc(ccc1OC(C)C)F 34a_100009881036_100000210206 [1,1,0,0,0,0|2,0,0]=4 1971 B12R1.233 Cc1nc(ccc1OC(C)C)F 7a_100009881036_100000210206 [1,1,0,0,0,0|2,0,0]=4 1972 B12R1.233 Cc1nc(ccc1OC(C)C)I 34a_100010233687_100000210206 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.233 Cc1nc(ccc1OC(C)C)I 7a_100010233687_100000210206 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000062408_100000210206 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000210206_100000062408 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000210206_100000688911 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000688911_100000210206 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000187202_100000210206 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000210206_100000187202 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000210206_100000691680 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000691680_100000210206 [1,1,0,0,0,0|2,0,0]=4 1982 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100000210206_100009818570 [1,1,0,0,0,0|1,0,0]=3 1983 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100009818570_100000210206 [1,1,0,0,0,0|1,0,0]=3 1984 B12R1.371 C#CC(C)Nc1nccnc1C 27a_100000707721_100011999405 [1,1,0,0,0,0|1,0,1]=4 1985 B12R1.371 C#CC(C)Oc1nccnc1C 34a_100000766352_200000035995 [1,1,0,0,0,0|1,0,1]=4 1986 B12R1.371 C#CC(C)Sc1nccnc1C 62a_200000035995_100011999405 [1,1,0,0,0,0|1,0,1]=4 1987 B12R1.371 C=CC(C)Sc1nccnc1C 62a_100011215867_100011999405 [1,1,0,0,0,0|1,0,1]=4 1988 B12R1.371 CC(CO)Sc1cccnc1O 62a_100012180447_100000760158 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.371 CC(CO)Sc1ncccc1O 62a_100012180447_100000034122 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.371 CC(CO)Sc1nccnc1Cl 62a_100012180447_100010886584 [1,1,0,0,0,0|2,0,0]=4 1991 B12R1.371 CC(CO)Sc1nccnc1F 62a_100012180447_200010125657 [1,1,0,0,0,0|2,0,0]=4 1992 B12R1.371 CC(CO)Sc1nccnc1N 62a_100012180447_100000747729 [1,1,0,0,0,0|2,0,0]=4 1993 B12R1.371 CCC(C)Oc1cccnc1C 34a_100000745507_100011215416 [1,1,0,0,0,0|2,0,0]=4 1994 B12R1.371 CCC(C)Oc1cccnc1C 7a_100000745507_100000758301 [1,1,0,0,0,0|2,0,0]=4 1995 B12R1.371 CCC(C)Oc1nccnc1C 34a_100000766352_100011215416 [1,1,0,0,0,0|1,0,0]=3 1996 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000751574_100000758301 [1,1,0,0,0,0|2,0,0]=4 1997 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000758301_100000751574 [1,1,0,0,0,0|2,0,0]=4 1998 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000758301_100000760158 [1,1,0,0,0,0|2,0,0]=4 1999 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000760158_100000758301 [1,1,0,0,0,0|2,0,0]=4 2000 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000751373_100000758301 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000758301_100000751373 [1,1,0,0,0,0|2,0,0]=4 2002 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000034122_100000758301 [1,1,0,0,0,0|2,0,0]=4 2003 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000758301_100000034122 [1,1,0,0,0,0|2,0,0]=4 2004 B12R1.371 CCC(C)Sc1nccnc1C 62a_100000758301_100011999405 [1,1,0,0,0,0|1,0,0]=3 2005 B12R1.371 CCC(C)Sc1nccnc1C 62a_100011999405_100000758301 [1,1,0,0,0,0|1,0,0]=3 2006 B12R1.371 CCC(C)Sc1nccnc1Cl 62a_100000758301_100010886584 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.371 CCC(C)Sc1nccnc1Cl 62a_100010886584_100000758301 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.371 CCC(C)Sc1nccnc1F 62a_100000758301_200010125657 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.371 CCC(C)Sc1nccnc1F 62a_200010125657_100000758301 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.371 CCC(C)Sc1nccnc1N 62a_100000747729_100000758301 [1,1,0,0,0,0|2,0,0]=4 2011 B12R1.371 CCC(C)Sc1nccnc1N 62a_100000758301_100000747729 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.371 CCN(C)Cc1cccnc1C 2230a_100000225621_100000732876 [1,1,0,0,0,0|2,0,0]=4 2013 B12R1.371 CCN(C)Cc1cccnc1C 2230a_200011875998_100000210202 [1,1,0,0,0,0|2,0,0]=4 2014 B12R1.371 CCN(C)Cc1cccnc1C 269982a_100000225621_100000732876 [1,1,0,0,0,0|2,0,0]=4 2015 B12R1.371 CCN(C)Cc1cccnc1C 269982a_200011875998_100000204670 [1,1,0,0,0,0|2,0,0]=4 2016 B12R1.371 CCN(C)Cc1ncccc1C 2230a_100000225621_100000696600 [1,1,0,0,0,0|2,0,0]=4 2017 B12R1.371 CCN(C)Cc1ncccc1C 269982a_100000225621_100000696600 [1,1,0,0,0,0|2,0,0]=4 2018 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [1,1,0,0,0,0|1,0,0]=3 2020 B12R1.371 COC(C)Sc1cccnc1C 62a_100000751574_100009879195 [1,1,0,0,0,0|2,0,0]=4 2021 B12R1.371 COC(C)Sc1cccnc1C 62a_100009879195_100000751574 [1,1,0,0,0,0|2,0,0]=4 2022 B12R1.371 COC(C)Sc1cccnc1O 62a_100000760158_100009879195 [1,1,0,0,0,0|2,0,0]=4 2023 B12R1.371 COC(C)Sc1cccnc1O 62a_100009879195_100000760158 [1,1,0,0,0,0|2,0,0]=4 2024 B12R1.371 COC(C)Sc1ncccc1C 62a_100000751373_100009879195 [1,1,0,0,0,0|2,0,0]=4 2025 B12R1.371 COC(C)Sc1ncccc1C 62a_100009879195_100000751373 [1,1,0,0,0,0|2,0,0]=4 2026 B12R1.371 COC(C)Sc1ncccc1O 62a_100000034122_100009879195 [1,1,0,0,0,0|2,0,0]=4 2027 B12R1.371 COC(C)Sc1ncccc1O 62a_100009879195_100000034122 [1,1,0,0,0,0|2,0,0]=4 2028 B12R1.371 COC(C)Sc1nccnc1C 62a_100009879195_100011999405 [1,1,0,0,0,0|1,0,0]=3 2029 B12R1.371 COC(C)Sc1nccnc1C 62a_100011999405_100009879195 [1,1,0,0,0,0|1,0,0]=3 2030 B12R1.371 COC(C)Sc1nccnc1Cl 62a_100009879195_100010886584 [1,1,0,0,0,0|2,0,0]=4 2031 B12R1.371 COC(C)Sc1nccnc1Cl 62a_100010886584_100009879195 [1,1,0,0,0,0|2,0,0]=4 2032 B12R1.371 COC(C)Sc1nccnc1F 62a_100009879195_200010125657 [1,1,0,0,0,0|2,0,0]=4 2033 B12R1.371 COC(C)Sc1nccnc1F 62a_200010125657_100009879195 [1,1,0,0,0,0|2,0,0]=4 2034 B12R1.371 COC(C)Sc1nccnc1N 62a_100000747729_100009879195 [1,1,0,0,0,0|2,0,0]=4 2035 B12R1.371 COC(C)Sc1nccnc1N 62a_100009879195_100000747729 [1,1,0,0,0,0|2,0,0]=4 2036 B12R1.371 C[C@H](CF)Nc1nccnc1F 27a_100102880703_200010125657 [1,1,0,0,0,0|2,0,0]=4 2037 B12R1.371 C[C@H](CO)Nc1nccnc1F 27a_100000737577_200010125657 [1,1,0,0,0,0|2,0,0]=4 2038 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100000760158_100016084084 [1,1,0,0,0,0|2,0,0]=4 2039 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100016084084_100000760158 [1,1,0,0,0,0|2,0,0]=4 2040 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100000034122_100016084084 [1,1,0,0,0,0|2,0,0]=4 2041 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100016084084_100000034122 [1,1,0,0,0,0|2,0,0]=4 2042 B12R1.371 C[C@H](CO)Sc1nccnc1Cl 62a_100010886584_100016084084 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.371 C[C@H](CO)Sc1nccnc1Cl 62a_100016084084_100010886584 [1,1,0,0,0,0|2,0,0]=4 2044 B12R1.371 C[C@H](CO)Sc1nccnc1F 62a_100016084084_200010125657 [1,1,0,0,0,0|2,0,0]=4 2045 B12R1.371 C[C@H](CO)Sc1nccnc1F 62a_200010125657_100016084084 [1,1,0,0,0,0|2,0,0]=4 2046 B12R1.371 C[C@H](CO)Sc1nccnc1N 62a_100000747729_100016084084 [1,1,0,0,0,0|2,0,0]=4 2047 B12R1.371 C[C@H](CO)Sc1nccnc1N 62a_100016084084_100000747729 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.371 Cc1cccnc1SC(C)CO 62a_100012180447_100000751373 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100000751373_100016084084 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100016084084_100000751373 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.371 Cc1ncccc1CN(C)CF 269982a_200011875998_100015361967 [1,1,0,0,0,0|2,0,0]=4 2052 B12R1.371 Cc1ncccc1OC(C)CO 34a_100000745507_100012180447 [1,1,0,0,0,0|2,0,0]=4 2053 B12R1.371 Cc1ncccc1OC(C)CO 7a_100000745507_100012180447 [1,1,0,0,0,0|2,0,0]=4 2054 B12R1.371 Cc1ncccc1SC(C)CO 62a_100012180447_100000751574 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100000751574_100016084084 [1,1,0,0,0,0|2,0,0]=4 2056 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100016084084_100000751574 [1,1,0,0,0,0|2,0,0]=4 2057 B12R1.371 Cc1nccnc1N[C@H](C)CF 27a_100102880703_100011999405 [1,1,0,0,0,0|1,0,0]=3 2058 B12R1.371 Cc1nccnc1N[C@H](C)CO 27a_100000737577_100011999405 [1,1,0,0,0,0|1,0,0]=3 2059 B12R1.371 Cc1nccnc1OC(C)CO 34a_100000766352_100012180447 [1,1,0,0,0,0|1,0,0]=3 2060 B12R1.371 Cc1nccnc1SC(C)C#N 62a_100000703298_100011999405 [1,1,0,0,0,0|1,0,1]=4 2061 B12R1.371 Cc1nccnc1SC(C)C#N 62a_100011999405_100000703298 [1,1,0,0,0,0|1,0,1]=4 2062 B12R1.371 Cc1nccnc1SC(C)CO 62a_100012180447_100011999405 [1,1,0,0,0,0|1,0,0]=3 2063 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100011999405_100016084084 [1,1,0,0,0,0|1,0,0]=3 2064 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100016084084_100011999405 [1,1,0,0,0,0|1,0,0]=3 2065 B12R1.1009 CC(C)Sc1c(ccnc1O)O 62a_100000210206_200009817435 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.1009 Cc1ccnc(c1OC(C)C)C 34a_100011934651_100000210206 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.1009 Cc1ccnc(c1OC(C)C)C 7a_100011934651_100000210206 [1,1,0,0,0,0|2,0,0]=4 2068 B12R1.1009 Cc1ccnc(c1SC(C)C)C 62a_100000210206_100012000501 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.1009 Cc1ccnc(c1SC(C)C)C 62a_100012000501_100000210206 [1,1,0,0,0,0|2,0,0]=4 2070 B12R1.1009 Cc1ccnc(c1SC(C)C)O 62a_100000210206_100012000493 [1,1,0,0,0,0|2,0,0]=4 2071 B12R1.1009 Cc1ccnc(c1SC(C)C)O 62a_100012000493_100000210206 [1,1,0,0,0,0|2,0,0]=4 2072 B12R1.1009 Cc1nccc(c1SC(C)C)N 62a_100000210206_100010243816 [1,1,0,0,0,0|2,0,0]=4 2073 B12R1.1009 Cc1nccc(c1SC(C)C)N 62a_100010243816_100000210206 [1,1,0,0,0,0|2,0,0]=4 2074 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [0,1,0,0,1,0|2,0,0]=4 2075 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [0,1,0,0,1,0|2,0,0]=4 2076 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [0,1,0,0,1,0|2,0,0]=4 2077 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [0,1,0,0,1,0|2,0,0]=4 2078 B12R1.57 C=C(C)c1ncc(nc1OC)Br 271570a_100000694244_100010214903 [0,1,0,0,1,0|0,0,2]=4 2079 B12R1.57 C=C(C)c1ncc(nc1OC)N 271570a_100000694244_100010128448 [0,1,0,0,1,0|0,0,2]=4 2080 B12R1.57 C=Cc1nc(cnc1C(C)C)C 271570a_100011290941_100015629263 [0,1,0,0,1,0|1,0,1]=4 2081 B12R1.57 CNc1nc(cnc1C(C)C)C 27a_100102657272_100015629263 [0,1,0,0,1,0|1,0,0]=3 2082 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [0,1,0,0,1,0|2,0,0]=4 2083 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [0,1,0,0,1,0|2,0,0]=4 2084 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_100015629263_200000210301 [0,1,0,0,1,0|0,1,0]=3 2085 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_200000210301_100015629263 [0,1,0,0,1,0|0,1,0]=3 2086 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [0,1,0,0,1,0|2,0,0]=4 2087 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [0,1,0,0,1,0|2,0,0]=4 2088 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_100015629263_200025704644 [0,1,0,0,1,0|0,1,0]=3 2089 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_200025704644_100015629263 [0,1,0,0,1,0|0,1,0]=3 2090 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [0,1,0,0,1,0|2,0,0]=4 2091 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [0,1,0,0,1,0|2,0,0]=4 2092 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_100010080783_200025704644 [0,1,0,0,1,0|1,1,0]=4 2093 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_200025704644_100010080783 [0,1,0,0,1,0|1,1,0]=4 2094 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200010080787_200025704644 [0,1,0,0,1,0|1,1,0]=4 2095 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200025704644_200010080787 [0,1,0,0,1,0|1,1,0]=4 2096 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [0,1,0,0,1,0|2,0,0]=4 2097 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [0,1,0,0,1,0|2,0,0]=4 2098 B12R1.76 COc1nccnc1C(F)(F)F 34a_200009888604_200000210301 [0,1,0,0,1,0|2,0,0]=4 2099 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200000210301_200010080787 [0,1,0,0,1,0|1,1,0]=4 2100 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200010080787_200000210301 [0,1,0,0,1,0|1,1,0]=4 2101 B12R1.76 CSc1ncccc1C(C)(C)O 62a_100010080783_200000210301 [0,1,0,0,1,0|1,1,0]=4 2102 B12R1.76 CSc1ncccc1C(C)(C)O 62a_200000210301_100010080783 [0,1,0,0,1,0|1,1,0]=4 2103 B12R1.76 [13CH3]Oc1nccnc1C(F)(F)F 34a_200009888604_200025704644 [0,1,0,0,1,0|2,0,0]=4 2104 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [0,1,0,0,1,0|2,0,0]=4 2105 B12R1.261 C=C(C)c1nccnc1N(C)C 271570a_100000694244_100000703087 [0,1,0,0,1,0|2,0,0]=4 2106 B12R1.261 CC(=O)c1nccnc1N(C)C 27a_100102631434_100000099859 [0,1,0,0,1,0|2,0,0]=4 2107 B12R1.261 CN(C)c1nccnc1N(C)C 27a_100102631434_100000703087 [0,1,0,0,1,0|2,0,0]=4 2108 B12R1.65 COc1nn(cc1SC(C)C)C 62a_100000210206_100015475556 [0,1,0,0,1,0|2,0,0]=4 2109 B12R1.65 COc1nn(cc1SC(C)C)C 62a_100015475556_100000210206 [0,1,0,0,1,0|2,0,0]=4 2110 B12R1.82 CCC(C)Sc1c[nH]nc1OC 62a_100000758301_100010982843 [0,1,0,0,1,0|2,0,0]=4 2111 B12R1.82 COc1n[nH]cc1SC(C)CO 62a_100012180447_100010982843 [0,1,0,0,1,0|2,0,0]=4 2112 B12R1.82 COc1n[nH]cc1SC(C)OC 62a_100009879195_100010982843 [0,1,0,0,1,0|2,0,0]=4 2113 B12R1.82 COc1n[nH]cc1S[C@H](C)CO 62a_100016084084_100010982843 [0,1,0,0,1,0|2,0,0]=4 2114 B12R1.289 CNCc1ccnn1CC(C)C 207a_100102657272_200010295934 [0,1,0,0,1,0|2,0,0]=4 2115 B12R1.289 CNCc1ccnn1CC(C)C 269862a_106832991636_200010295934 [0,1,0,0,1,0|2,0,0]=4 2116 B12R1.289 CNCc1ccnn1CC(C)C 270004a_106832991635_200010295934 [0,1,0,0,1,0|2,0,0]=4 2117 B12R1.406 COc1n[nH]cc1SC(C)(C)C 62a_100000211941_100010982843 [0,1,0,0,1,0|2,0,0]=4 2118 B14R1.93 CC(C)(C)CNc1nccnc1C#N 27a_100000743828_100000040484 [0,1,0,0,0,1|2,0,0]=4 2119 B14R1.93 CC(C)(C)CSc1nccnc1C#N 62a_100011219605_100000040484 [0,1,0,0,0,1|2,0,0]=4 2120 B14R1.93 CC(C)(C)CSc1nccnc1C=O 62a_100000051000_100011219605 [0,1,0,0,0,1|2,0,0]=4 2121 B14R1.93 CC(C)(C)CSc1nccnc1C=O 62a_100011219605_100000051000 [0,1,0,0,0,1|2,0,0]=4 2122 B14R1.93 CC(C)(C)CSc1nccnc1CN 62a_100000729963_100011219605 [0,1,0,0,0,1|2,0,0]=4 2123 B14R1.93 CC(C)(C)CSc1nccnc1CN 62a_100011219605_100000729963 [0,1,0,0,0,1|2,0,0]=4 2124 B14R1.93 CC(C)(C)CSc1nccnc1CO 62a_100000057004_100011219605 [0,1,0,0,0,1|2,0,0]=4 2125 B14R1.93 CC(C)(C)CSc1nccnc1CO 62a_100011219605_100000057004 [0,1,0,0,0,1|2,0,0]=4 2126 B14R1.93 CC(C)(C)CSc1nccnc1NN 62a_100011219605_100000755098 [0,1,0,0,0,1|2,0,0]=4 2127 B14R1.93 CC(C)(F)CNc1nccnc1C#N 27a_100020643315_100000040484 [0,1,0,0,0,1|2,0,0]=4 2128 B14R1.93 CC(C)(F)CSc1nccnc1C#N 62a_100011997219_100000040484 [0,1,0,0,0,1|2,0,0]=4 2129 B14R1.93 CC(C)(F)CSc1nccnc1C=O 62a_100000051000_100011997219 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.93 CC(C)(F)CSc1nccnc1C=O 62a_100011997219_100000051000 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.93 CC(C)(F)CSc1nccnc1CN 62a_100000729963_100011997219 [0,1,0,0,0,1|2,0,0]=4 2132 B14R1.93 CC(C)(F)CSc1nccnc1CN 62a_100011997219_100000729963 [0,1,0,0,0,1|2,0,0]=4 2133 B14R1.93 CC(C)(F)CSc1nccnc1CO 62a_100000057004_100011997219 [0,1,0,0,0,1|2,0,0]=4 2134 B14R1.93 CC(C)(F)CSc1nccnc1CO 62a_100011997219_100000057004 [0,1,0,0,0,1|2,0,0]=4 2135 B14R1.93 CC(C)(F)CSc1nccnc1NN 62a_100011997219_100000755098 [0,1,0,0,0,1|2,0,0]=4 2136 B14R1.93 CC(C)(O)CCc1ccccc1O[13CH3] 34a_100000043598_200025704644 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.93 CC(C)(O)CCc1ccccc1O[13CH3] 7a_100000043598_200025704644 [0,1,0,0,0,1|2,0,0]=4 2138 B14R1.93 CC(C)(O)CNc1nccnc1C#N 27a_100000751335_100000040484 [0,1,0,0,0,1|2,0,0]=4 2139 B14R1.93 CC(C)(O)CSc1nccnc1C#N 62a_100000764493_100000040484 [0,1,0,0,0,1|2,0,0]=4 2140 B14R1.93 CC(C)(O)CSc1nccnc1C=O 62a_100000051000_100000764493 [0,1,0,0,0,1|2,0,0]=4 2141 B14R1.93 CC(C)(O)CSc1nccnc1C=O 62a_100000764493_100000051000 [0,1,0,0,0,1|2,0,0]=4 2142 B14R1.93 CC(C)(O)CSc1nccnc1CN 62a_100000729963_100000764493 [0,1,0,0,0,1|2,0,0]=4 2143 B14R1.93 CC(C)(O)CSc1nccnc1CN 62a_100000764493_100000729963 [0,1,0,0,0,1|2,0,0]=4 2144 B14R1.93 CC(C)(O)CSc1nccnc1CO 62a_100000057004_100000764493 [0,1,0,0,0,1|2,0,0]=4 2145 B14R1.93 CC(C)(O)CSc1nccnc1CO 62a_100000764493_100000057004 [0,1,0,0,0,1|2,0,0]=4 2146 B14R1.93 CC(C)(O)CSc1nccnc1NN 62a_100000764493_100000755098 [0,1,0,0,0,1|2,0,0]=4 2147 B14R1.93 CCc1ncccc1SCC(C)(C)C 62a_100009877225_100011219605 [0,1,0,0,0,1|2,0,0]=4 2148 B14R1.93 CCc1ncccc1SCC(C)(C)C 62a_100011219605_100009877225 [0,1,0,0,0,1|2,0,0]=4 2149 B14R1.93 CCc1ncccc1SCC(C)(C)F 62a_100009877225_100011997219 [0,1,0,0,0,1|2,0,0]=4 2150 B14R1.93 CCc1ncccc1SCC(C)(C)F 62a_100011997219_100009877225 [0,1,0,0,0,1|2,0,0]=4 2151 B14R1.93 CCc1ncccc1SCC(C)(C)O 62a_100000764493_100009877225 [0,1,0,0,0,1|2,0,0]=4 2152 B14R1.93 CCc1ncccc1SCC(C)(C)O 62a_100009877225_100000764493 [0,1,0,0,0,1|2,0,0]=4 2153 B14R1.93 CCc1nccnc1C=CC(C)(C)C 271570a_100102527731_100011995844 [0,1,0,0,0,1|1,0,1]=4 2154 B14R1.93 CCc1nccnc1C=CC(C)(C)O 271570a_200016258132_100011995844 [0,1,0,0,0,1|1,0,1]=4 2155 B14R1.93 CCc1nccnc1NCC(C)(C)C 27a_100000743828_100011995844 [0,1,0,0,0,1|1,0,0]=3 2156 B14R1.93 CCc1nccnc1NCC(C)(C)F 27a_100020643315_100011995844 [0,1,0,0,0,1|1,0,0]=3 2157 B14R1.93 CCc1nccnc1NCC(C)(C)O 27a_100000751335_100011995844 [0,1,0,0,0,1|1,0,0]=3 2158 B14R1.93 CCc1nccnc1NCC(C)(F)F 27a_100000731000_100011995844 [0,1,0,0,0,1|2,0,0]=4 2159 B14R1.93 CCc1nccnc1NC[Si](C)(C)C 27a_102516607284_100011995844 [0,1,0,0,0,1|1,1,0]=4 2160 B14R1.93 CCc1nccnc1SCC(C)(C)C 62a_100011219605_100011995844 [0,1,0,0,0,1|1,0,0]=3 2161 B14R1.93 CCc1nccnc1SCC(C)(C)C 62a_100011995844_100011219605 [0,1,0,0,0,1|1,0,0]=3 2162 B14R1.93 CCc1nccnc1SCC(C)(C)F 62a_100011995844_100011997219 [0,1,0,0,0,1|1,0,0]=3 2163 B14R1.93 CCc1nccnc1SCC(C)(C)F 62a_100011997219_100011995844 [0,1,0,0,0,1|1,0,0]=3 2164 B14R1.93 CCc1nccnc1SCC(C)(C)O 62a_100000764493_100011995844 [0,1,0,0,0,1|1,0,0]=3 2165 B14R1.93 CCc1nccnc1SCC(C)(C)O 62a_100011995844_100000764493 [0,1,0,0,0,1|1,0,0]=3 2166 B14R1.93 CCc1nccnc1SC[N+](C)(C)C 62a_100011995844_200000036245 [0,1,0,0,0,1|2,0,0]=4 2167 B14R1.93 CCc1nccnc1SC[N+](C)(C)C 62a_200000036245_100011995844 [0,1,0,0,0,1|2,0,0]=4 2168 B14R1.93 CCc1nccnc1SC[Si](C)(C)C 62a_100000037933_100011995844 [0,1,0,0,0,1|1,1,0]=4 2169 B14R1.93 CCc1nccnc1SC[Si](C)(C)C 62a_100011995844_100000037933 [0,1,0,0,0,1|1,1,0]=4 2170 B14R1.93 CNc1cccnc1SCC(C)(C)C 62a_100011219605_200011806188 [0,1,0,0,0,1|2,0,0]=4 2171 B14R1.93 CNc1cccnc1SCC(C)(C)F 62a_100011997219_200011806188 [0,1,0,0,0,1|2,0,0]=4 2172 B14R1.93 CNc1cccnc1SCC(C)(C)O 62a_100000764493_200011806188 [0,1,0,0,0,1|2,0,0]=4 2173 B14R1.93 CNc1ncccc1SCC(C)(C)C 62a_100000700899_100011219605 [0,1,0,0,0,1|2,0,0]=4 2174 B14R1.93 CNc1ncccc1SCC(C)(C)C 62a_100011219605_100000700899 [0,1,0,0,0,1|2,0,0]=4 2175 B14R1.93 CNc1ncccc1SCC(C)(C)F 62a_100000700899_100011997219 [0,1,0,0,0,1|2,0,0]=4 2176 B14R1.93 CNc1ncccc1SCC(C)(C)F 62a_100011997219_100000700899 [0,1,0,0,0,1|2,0,0]=4 2177 B14R1.93 CNc1ncccc1SCC(C)(C)O 62a_100000700899_100000764493 [0,1,0,0,0,1|2,0,0]=4 2178 B14R1.93 CNc1ncccc1SCC(C)(C)O 62a_100000764493_100000700899 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.93 CNc1nccnc1C=CC(C)(C)C 271570a_100102527731_100011529439 [0,1,0,0,0,1|1,0,1]=4 2180 B14R1.93 CNc1nccnc1C=CC(C)(C)O 271570a_200016258132_100011529439 [0,1,0,0,0,1|1,0,1]=4 2181 B14R1.93 CNc1nccnc1SCC(C)(C)C 62a_100011219605_100011529439 [0,1,0,0,0,1|1,0,0]=3 2182 B14R1.93 CNc1nccnc1SCC(C)(C)F 62a_100011997219_100011529439 [0,1,0,0,0,1|1,0,0]=3 2183 B14R1.93 CNc1nccnc1SCC(C)(C)O 62a_100000764493_100011529439 [0,1,0,0,0,1|1,0,0]=3 2184 B14R1.93 CNc1nccnc1SC[N+](C)(C)C 62a_200000036245_100011529439 [0,1,0,0,0,1|2,0,0]=4 2185 B14R1.93 CNc1nccnc1SC[Si](C)(C)C 62a_100000037933_100011529439 [0,1,0,0,0,1|1,1,0]=4 2186 B14R1.93 COc1ccccc1CCC(C)(C)O 34a_100000043598_200000210301 [0,1,0,0,0,1|2,0,0]=4 2187 B14R1.93 COc1ccccc1CCC(C)(C)O 7a_100000043598_200000210301 [0,1,0,0,0,1|2,0,0]=4 2188 B14R1.93 COc1ccccc1CNC(C)(C)C 207a_100000715429_100000169842 [0,1,0,0,0,1|2,0,0]=4 2189 B14R1.93 COc1ccccc1CNC(C)(C)C 2230a_100000715429_100000210004 [0,1,0,0,0,1|2,0,0]=4 2190 B14R1.93 COc1ccccc1CNC(C)(C)C 34a_100000188900_100000210625 [0,1,0,0,0,1|2,0,0]=4 2191 B14R1.93 COc1ccccc1COC(C)(C)C 34a_100000211301_100000210625 [0,1,0,0,0,1|2,0,0]=4 2192 B14R1.93 COc1ccccc1COC(C)(C)C 34a_100015890283_100000210004 [0,1,0,0,0,1|2,0,0]=4 2193 B14R1.93 COc1ccccc1COC(C)(C)C 7a_100015890283_100000210004 [0,1,0,0,0,1|2,0,0]=4 2194 B14R1.93 COc1ccccc1CSC(C)(C)C 62a_100000210004_100000211941 [0,1,0,0,0,1|2,0,0]=4 2195 B14R1.93 COc1ccccc1CSC(C)(C)C 62a_100000211941_100000210004 [0,1,0,0,0,1|2,0,0]=4 2196 B14R1.93 COc1ccccc1NCC(C)(C)C 34a_100000210025_100011219605 [0,1,0,0,0,1|2,0,0]=4 2197 B14R1.93 COc1ccccc1NCC(C)(C)F 34a_100000210025_100011997219 [0,1,0,0,0,1|2,0,0]=4 2198 B14R1.93 COc1ccccc1NCC(C)(C)O 34a_100000210025_100000764493 [0,1,0,0,0,1|2,0,0]=4 2199 B14R1.93 COc1ccccc1OCC(C)(C)C 34a_100000210385_100011219605 [0,1,0,0,0,1|2,0,0]=4 2200 B14R1.93 COc1ccccc1OCC(C)(C)F 34a_100000210385_100011997219 [0,1,0,0,0,1|2,0,0]=4 2201 B14R1.93 COc1ccccc1OCC(C)(C)O 34a_100000210385_100000764493 [0,1,0,0,0,1|2,0,0]=4 2202 B14R1.93 COc1ccccc1SCC(C)(C)C 62a_100000210334_100011219605 [0,1,0,0,0,1|2,0,0]=4 2203 B14R1.93 COc1ccccc1SCC(C)(C)C 62a_100011219605_100000210334 [0,1,0,0,0,1|2,0,0]=4 2204 B14R1.93 COc1ccccc1SCC(C)(C)F 62a_100000210334_100011997219 [0,1,0,0,0,1|2,0,0]=4 2205 B14R1.93 COc1ccccc1SCC(C)(C)F 62a_100011997219_100000210334 [0,1,0,0,0,1|2,0,0]=4 2206 B14R1.93 COc1ccccc1SCC(C)(C)O 62a_100000210334_100000764493 [0,1,0,0,0,1|2,0,0]=4 2207 B14R1.93 COc1ccccc1SCC(C)(C)O 62a_100000764493_100000210334 [0,1,0,0,0,1|2,0,0]=4 2208 B14R1.93 COc1cccnc1C=CC(C)(C)C 271570a_100102527731_100000690851 [0,1,0,0,0,1|1,0,1]=4 2209 B14R1.93 COc1cccnc1C=CC(C)(C)O 271570a_200016258132_100000690851 [0,1,0,0,0,1|1,0,1]=4 2210 B14R1.93 COc1cccnc1CNC(C)(C)C 207a_100000715429_100011912573 [0,1,0,0,0,1|1,0,0]=3 2211 B14R1.93 COc1cccnc1COC(C)(C)C 34a_100011998681_100000210625 [0,1,0,0,0,1|1,0,0]=3 2212 B14R1.93 COc1cccnc1OCC(C)(C)C 34a_100025773188_100011219605 [0,1,0,0,0,1|1,0,0]=3 2213 B14R1.93 COc1cccnc1OCC(C)(C)F 34a_100025773188_100011997219 [0,1,0,0,0,1|1,0,0]=3 2214 B14R1.93 COc1cccnc1OCC(C)(C)O 34a_100025773188_100000764493 [0,1,0,0,0,1|1,0,0]=3 2215 B14R1.93 COc1cccnc1SCC(C)(C)C 62a_100000767102_100011219605 [0,1,0,0,0,1|1,0,0]=3 2216 B14R1.93 COc1cccnc1SCC(C)(C)C 62a_100011219605_100000690851 [0,1,0,0,0,1|1,0,0]=3 2217 B14R1.93 COc1cccnc1SCC(C)(C)F 62a_100000767102_100011997219 [0,1,0,0,0,1|1,0,0]=3 2218 B14R1.93 COc1cccnc1SCC(C)(C)F 62a_100011997219_100000690851 [0,1,0,0,0,1|1,0,0]=3 2219 B14R1.93 COc1cccnc1SCC(C)(C)O 62a_100000764493_100000690851 [0,1,0,0,0,1|1,0,0]=3 2220 B14R1.93 COc1cccnc1SCC(C)(C)O 62a_100000767102_100000764493 [0,1,0,0,0,1|1,0,0]=3 2221 B14R1.93 COc1cccnc1SC[N+](C)(C)C 62a_100000767102_200000036245 [0,1,0,0,0,1|2,0,0]=4 2222 B14R1.93 COc1cccnc1SC[N+](C)(C)C 62a_200000036245_100000690851 [0,1,0,0,0,1|2,0,0]=4 2223 B14R1.93 COc1cccnc1SC[Si](C)(C)C 62a_100000037933_100000690851 [0,1,0,0,0,1|1,1,0]=4 2224 B14R1.93 COc1cccnc1SC[Si](C)(C)C 62a_100000767102_100000037933 [0,1,0,0,0,1|1,1,0]=4 2225 B14R1.93 COc1cncnc1NCC(C)(C)C 27a_100000743828_100012001275 [0,1,0,0,0,1|2,0,0]=4 2226 B14R1.93 COc1cncnc1NCC(C)(C)F 27a_100020643315_100012001275 [0,1,0,0,0,1|2,0,0]=4 2227 B14R1.93 COc1cncnc1NCC(C)(C)O 27a_100000751335_100012001275 [0,1,0,0,0,1|2,0,0]=4 2228 B14R1.93 COc1cncnc1SCC(C)(C)C 62a_100011219605_100012001275 [0,1,0,0,0,1|2,0,0]=4 2229 B14R1.93 COc1cncnc1SCC(C)(C)C 62a_100012001275_100011219605 [0,1,0,0,0,1|2,0,0]=4 2230 B14R1.93 COc1cncnc1SCC(C)(C)F 62a_100011997219_100012001275 [0,1,0,0,0,1|2,0,0]=4 2231 B14R1.93 COc1cncnc1SCC(C)(C)F 62a_100012001275_100011997219 [0,1,0,0,0,1|2,0,0]=4 2232 B14R1.93 COc1cncnc1SCC(C)(C)O 62a_100000764493_100012001275 [0,1,0,0,0,1|2,0,0]=4 2233 B14R1.93 COc1cncnc1SCC(C)(C)O 62a_100012001275_100000764493 [0,1,0,0,0,1|2,0,0]=4 2234 B14R1.93 COc1ncccc1C=CC(C)(C)C 271570a_100102527731_100000047025 [0,1,0,0,0,1|1,0,1]=4 2235 B14R1.93 COc1ncccc1C=CC(C)(C)O 271570a_200016258132_100000047025 [0,1,0,0,0,1|1,0,1]=4 2236 B14R1.93 COc1ncccc1CNC(C)(C)C 207a_100000715429_100011290804 [0,1,0,0,0,1|1,0,0]=3 2237 B14R1.93 COc1ncccc1CNC(C)(C)C 2230a_100000715429_100020631285 [0,1,0,0,0,1|1,0,0]=3 2238 B14R1.93 COc1ncccc1COC(C)(C)C 34a_100000717863_100000210625 [0,1,0,0,0,1|1,0,0]=3 2239 B14R1.93 COc1ncccc1COC(C)(C)C 34a_100015890283_100020631285 [0,1,0,0,0,1|1,0,0]=3 2240 B14R1.93 COc1ncccc1COC(C)(C)C 7a_100015890283_100020631285 [0,1,0,0,0,1|1,0,0]=3 2241 B14R1.93 COc1ncccc1CSC(C)(C)C 62a_100000211941_100020631285 [0,1,0,0,0,1|1,0,0]=3 2242 B14R1.93 COc1ncccc1CSC(C)(C)C 62a_100020631285_100000211941 [0,1,0,0,0,1|1,0,0]=3 2243 B14R1.93 COc1ncccc1OCC(C)(C)C 34a_100000698397_100011219605 [0,1,0,0,0,1|1,0,0]=3 2244 B14R1.93 COc1ncccc1OCC(C)(C)F 34a_100000698397_100011997219 [0,1,0,0,0,1|1,0,0]=3 2245 B14R1.93 COc1ncccc1OCC(C)(C)O 34a_100000698397_100000764493 [0,1,0,0,0,1|1,0,0]=3 2246 B14R1.93 COc1ncccc1OCC(C)(C)O 7a_100000698397_100000764493 [0,1,0,0,0,1|1,0,0]=3 2247 B14R1.93 COc1ncccc1OC[Si](C)(C)C 7a_100000698397_100000233785 [0,1,0,0,0,1|1,1,0]=4 2248 B14R1.93 COc1ncccc1SCC(C)(C)C 62a_100000047025_100011219605 [0,1,0,0,0,1|1,0,0]=3 2249 B14R1.93 COc1ncccc1SCC(C)(C)C 62a_100011219605_100000047025 [0,1,0,0,0,1|1,0,0]=3 2250 B14R1.93 COc1ncccc1SCC(C)(C)F 62a_100000047025_100011997219 [0,1,0,0,0,1|1,0,0]=3 2251 B14R1.93 COc1ncccc1SCC(C)(C)F 62a_100011997219_100000047025 [0,1,0,0,0,1|1,0,0]=3 2252 B14R1.93 COc1ncccc1SCC(C)(C)O 62a_100000047025_100000764493 [0,1,0,0,0,1|1,0,0]=3 2253 B14R1.93 COc1ncccc1SCC(C)(C)O 62a_100000764493_100000047025 [0,1,0,0,0,1|1,0,0]=3 2254 B14R1.93 COc1ncccc1SC[N+](C)(C)C 62a_100000047025_200000036245 [0,1,0,0,0,1|2,0,0]=4 2255 B14R1.93 COc1ncccc1SC[N+](C)(C)C 62a_200000036245_100000047025 [0,1,0,0,0,1|2,0,0]=4 2256 B14R1.93 COc1ncccc1SC[Si](C)(C)C 62a_100000037933_100000047025 [0,1,0,0,0,1|1,1,0]=4 2257 B14R1.93 COc1ncccc1SC[Si](C)(C)C 62a_100000047025_100000037933 [0,1,0,0,0,1|1,1,0]=4 2258 B14R1.93 COc1nccnc1C#C[Si](C)(C)C 271570a_100010171944_100000749998 [0,1,0,0,0,1|0,1,1]=4 2259 B14R1.93 COc1nccnc1C=CC(C)(C)C 271570a_100102527731_100000749998 [0,1,0,0,0,1|0,0,1]=3 2260 B14R1.93 COc1nccnc1C=CC(C)(C)O 271570a_200016258132_100000749998 [0,1,0,0,0,1|0,0,1]=3 2261 B14R1.93 COc1nccnc1NCC(C)(C)C 27a_100000743828_100009858322 [0,1,0,0,0,1|0,0,0]=2 2262 B14R1.93 COc1nccnc1NCC(C)(C)F 27a_100020643315_100009858322 [0,1,0,0,0,1|0,0,0]=2 2263 B14R1.93 COc1nccnc1NCC(C)(C)O 27a_100000751335_100009858322 [0,1,0,0,0,1|0,0,0]=2 2264 B14R1.93 COc1nccnc1NCC(C)(F)F 27a_100000731000_100009858322 [0,1,0,0,0,1|1,0,0]=3 2265 B14R1.93 COc1nccnc1NCC(F)(F)F 27a_100000717047_100009858322 [0,1,0,0,0,1|2,0,0]=4 2266 B14R1.93 COc1nccnc1NC[Si](C)(C)C 27a_102516607284_100009858322 [0,1,0,0,0,1|0,1,0]=3 2267 B14R1.93 COc1nccnc1SCC(C)(C)C 62a_100009858322_100011219605 [0,1,0,0,0,1|0,0,0]=2 2268 B14R1.93 COc1nccnc1SCC(C)(C)C 62a_100011219605_100000749998 [0,1,0,0,0,1|0,0,0]=2 2269 B14R1.93 COc1nccnc1SCC(C)(C)F 62a_100009858322_100011997219 [0,1,0,0,0,1|0,0,0]=2 2270 B14R1.93 COc1nccnc1SCC(C)(C)F 62a_100011997219_100000749998 [0,1,0,0,0,1|0,0,0]=2 2271 B14R1.93 COc1nccnc1SCC(C)(C)O 62a_100000764493_100000749998 [0,1,0,0,0,1|0,0,0]=2 2272 B14R1.93 COc1nccnc1SCC(C)(C)O 62a_100009858322_100000764493 [0,1,0,0,0,1|0,0,0]=2 2273 B14R1.93 COc1nccnc1SCC(F)(F)F 62a_100000763148_100000749998 [0,1,0,0,0,1|2,0,0]=4 2274 B14R1.93 COc1nccnc1SCC(F)(F)F 62a_100009858322_100000763148 [0,1,0,0,0,1|2,0,0]=4 2275 B14R1.93 COc1nccnc1SC[N+](C)(C)C 62a_100009858322_200000036245 [0,1,0,0,0,1|1,0,0]=3 2276 B14R1.93 COc1nccnc1SC[N+](C)(C)C 62a_200000036245_100000749998 [0,1,0,0,0,1|1,0,0]=3 2277 B14R1.93 COc1nccnc1SC[Si](C)(C)C 62a_100000037933_100000749998 [0,1,0,0,0,1|0,1,0]=3 2278 B14R1.93 COc1nccnc1SC[Si](C)(C)C 62a_100009858322_100000037933 [0,1,0,0,0,1|0,1,0]=3 2279 B14R1.93 COc1ncncc1SCC(C)(C)C 62a_100000719902_100011219605 [0,1,0,0,0,1|2,0,0]=4 2280 B14R1.93 COc1ncncc1SCC(C)(C)C 62a_100011219605_100000719902 [0,1,0,0,0,1|2,0,0]=4 2281 B14R1.93 COc1ncncc1SCC(C)(C)F 62a_100000719902_100011997219 [0,1,0,0,0,1|2,0,0]=4 2282 B14R1.93 COc1ncncc1SCC(C)(C)F 62a_100011997219_100000719902 [0,1,0,0,0,1|2,0,0]=4 2283 B14R1.93 COc1ncncc1SCC(C)(C)O 62a_100000719902_100000764493 [0,1,0,0,0,1|2,0,0]=4 2284 B14R1.93 COc1ncncc1SCC(C)(C)O 62a_100000764493_100000719902 [0,1,0,0,0,1|2,0,0]=4 2285 B14R1.93 CSc1ncccc1SCC(C)(C)C 62a_100011219605_100011465278 [0,1,0,0,0,1|1,1,0]=4 2286 B14R1.93 CSc1ncccc1SCC(C)(C)C 62a_100011465278_100011219605 [0,1,0,0,0,1|1,1,0]=4 2287 B14R1.93 CSc1ncccc1SCC(C)(C)F 62a_100011465278_100011997219 [0,1,0,0,0,1|1,1,0]=4 2288 B14R1.93 CSc1ncccc1SCC(C)(C)F 62a_100011997219_100011465278 [0,1,0,0,0,1|1,1,0]=4 2289 B14R1.93 CSc1ncccc1SCC(C)(C)O 62a_100000764493_100011465278 [0,1,0,0,0,1|1,1,0]=4 2290 B14R1.93 CSc1ncccc1SCC(C)(C)O 62a_100011465278_100000764493 [0,1,0,0,0,1|1,1,0]=4 2291 B14R1.118 COc1c(cccc1CNC(C)C)Br 207a_100138425928_100000692592 [0,1,0,0,0,1|2,0,0]=4 2292 B14R1.118 COc1c(cccc1CNC(C)C)Br 2230a_100138425928_100011470457 [0,1,0,0,0,1|2,0,0]=4 2293 B14R1.118 COc1c(cccc1CNC(C)C)Br 34a_100138425928_100011470457 [0,1,0,0,0,1|2,0,0]=4 2294 B14R1.118 COc1c(cccc1CNC(C)C)C 207a_100138425928_100011361485 [0,1,0,0,0,1|2,0,0]=4 2295 B14R1.118 COc1c(cccc1CNC(C)C)C 2230a_100138425928_100012349798 [0,1,0,0,0,1|2,0,0]=4 2296 B14R1.118 COc1c(cccc1CNC(C)C)C 34a_100138425928_100012349798 [0,1,0,0,0,1|2,0,0]=4 2297 B14R1.118 COc1c(cccc1CNC(C)C)Cl 207a_100138425928_100011466644 [0,1,0,0,0,1|2,0,0]=4 2298 B14R1.118 COc1c(cccc1CNC(C)C)F 207a_100138425928_100011830294 [0,1,0,0,0,1|2,0,0]=4 2299 B14R1.118 COc1c(cccc1CNC(C)C)F 34a_100137345168_100000210206 [0,1,0,0,0,1|2,0,0]=4 2300 B14R1.118 COc1c(cccc1COC(C)C)Br 34a_100000212225_100011470457 [0,1,0,0,0,1|2,0,0]=4 2301 B14R1.118 COc1c(cccc1COC(C)C)Br 34a_100000704359_100000210206 [0,1,0,0,0,1|2,0,0]=4 2302 B14R1.118 COc1c(cccc1COC(C)C)Br 7a_100000704359_100000210206 [0,1,0,0,0,1|2,0,0]=4 2303 B14R1.118 COc1c(cccc1COC(C)C)C 34a_100000212225_100012349798 [0,1,0,0,0,1|2,0,0]=4 2304 B14R1.118 COc1c(cccc1COC(C)C)C 34a_100012184769_100000210206 [0,1,0,0,0,1|2,0,0]=4 2305 B14R1.118 COc1c(cccc1COC(C)C)C 7a_100012184769_100000210206 [0,1,0,0,0,1|2,0,0]=4 2306 B14R1.118 COc1c(cccc1COC(C)C)F 34a_100011830279_100000210206 [0,1,0,0,0,1|2,0,0]=4 2307 B14R1.118 COc1c(cccc1COC(C)C)F 7a_100011830279_100000210206 [0,1,0,0,0,1|2,0,0]=4 2308 B14R1.118 COc1c(cccc1CSC(C)C)Br 62a_100000210206_100011470457 [0,1,0,0,0,1|2,0,0]=4 2309 B14R1.118 COc1c(cccc1CSC(C)C)Br 62a_100011470457_100000210206 [0,1,0,0,0,1|2,0,0]=4 2310 B14R1.118 COc1c(cccc1CSC(C)C)C 62a_100000210206_100012349798 [0,1,0,0,0,1|2,0,0]=4 2311 B14R1.118 COc1c(cccc1CSC(C)C)C 62a_100012349798_100000210206 [0,1,0,0,0,1|2,0,0]=4 2312 B14R1.118 COc1c(cccc1NCC(C)C)Br 34a_100011935253_100000210624 [0,1,0,0,0,1|2,0,0]=4 2313 B14R1.118 COc1c(cccc1NCC(C)C)C 34a_100012017360_100000210624 [0,1,0,0,0,1|2,0,0]=4 2314 B14R1.118 COc1c(cccc1NCC(C)C)Cl 2230a_100000743799_100000210760 [0,1,0,0,0,1|2,0,0]=4 2315 B14R1.118 COc1c(cccc1NCC(C)C)Cl 34a_100000743799_100000210624 [0,1,0,0,0,1|2,0,0]=4 2316 B14R1.118 COc1c(cccc1NCC(C)C)F 34a_100011215007_100000210624 [0,1,0,0,0,1|2,0,0]=4 2317 B14R1.118 COc1c(cccc1OCC(C)C)Br 34a_100010234590_100000210624 [0,1,0,0,0,1|2,0,0]=4 2318 B14R1.118 COc1c(cccc1OCC(C)C)Cl 34a_200009886253_100000210624 [0,1,0,0,0,1|2,0,0]=4 2319 B14R1.118 COc1c(cccc1OCC(C)C)Cl 7a_200009886253_100000210760 [0,1,0,0,0,1|2,0,0]=4 2320 B14R1.118 COc1c(cccc1SCC(C)C)Br 62a_100000210624_100010146560 [0,1,0,0,0,1|2,0,0]=4 2321 B14R1.118 COc1c(cccc1SCC(C)C)Br 62a_100010146560_100000210760 [0,1,0,0,0,1|2,0,0]=4 2322 B14R1.118 COc1c(cccc1SCC(C)C)C 62a_100000210624_100010141385 [0,1,0,0,0,1|2,0,0]=4 2323 B14R1.118 COc1c(cccc1SCC(C)C)C 62a_100010141385_100000210760 [0,1,0,0,0,1|2,0,0]=4 2324 B14R1.118 COc1c(cccc1SCC(C)C)Cl 62a_100000210624_100010147678 [0,1,0,0,0,1|2,0,0]=4 2325 B14R1.118 COc1c(cccc1SCC(C)C)Cl 62a_100010147678_100000210760 [0,1,0,0,0,1|2,0,0]=4 2326 B14R1.118 COc1c(cccc1SCC(C)C)F 62a_100000210624_100009816759 [0,1,0,0,0,1|2,0,0]=4 2327 B14R1.118 COc1c(cccc1SCC(C)C)F 62a_100009816759_100000210760 [0,1,0,0,0,1|2,0,0]=4 2328 B14R1.118 COc1c(cccc1SCC(C)C)N 62a_100011935253_100000210760 [0,1,0,0,0,1|2,0,0]=4 2329 B14R1.118 COc1c(cccc1SCC(C)C)O 62a_100000210624_100010234590 [0,1,0,0,0,1|2,0,0]=4 2330 B14R1.118 COc1c(ccnc1C=CC(C)C)N 271570a_100016257149_100000104429 [0,1,0,0,0,1|1,0,1]=4 2331 B14R1.118 COc1c(ccnc1C=CC(C)C)O 271570a_100016257149_100000104430 [0,1,0,0,0,1|1,0,1]=4 2332 B14R1.118 COc1c(ccnc1CNC(C)C)Cl 2230a_100138425928_100015371371 [0,1,0,0,0,1|1,0,0]=3 2333 B14R1.118 COc1c(ccnc1CNC(C)C)Cl 34a_100138425928_100015371371 [0,1,0,0,0,1|1,0,0]=3 2334 B14R1.118 COc1c(ccnc1COC(C)C)Cl 34a_100000212225_100015371371 [0,1,0,0,0,1|1,0,0]=3 2335 B14R1.118 COc1c(ccnc1COC(C)C)Cl 34a_100009869429_100000210206 [0,1,0,0,0,1|1,0,0]=3 2336 B14R1.118 COc1c(ccnc1CSC(C)C)Cl 62a_100000210206_100015371371 [0,1,0,0,0,1|1,0,0]=3 2337 B14R1.118 COc1c(ccnc1CSC(C)C)Cl 62a_100015371371_100000210206 [0,1,0,0,0,1|1,0,0]=3 2338 B14R1.118 COc1c(ccnc1SCC(C)C)N 62a_100000104429_100000210760 [0,1,0,0,0,1|1,0,0]=3 2339 B14R1.118 COc1c(ccnc1SCC(C)C)N 62a_100000210624_100000104429 [0,1,0,0,0,1|1,0,0]=3 2340 B14R1.118 COc1c(ccnc1SCC(C)C)O 62a_100000210624_100000104430 [0,1,0,0,0,1|1,0,0]=3 2341 B14R1.118 COc1c(ccnc1SCC(C)O)N 62a_100000104429_100011218427 [0,1,0,0,0,1|2,0,0]=4 2342 B14R1.118 COc1c(ccnc1SCC(C)O)N 62a_100011218427_100000104429 [0,1,0,0,0,1|2,0,0]=4 2343 B14R1.118 COc1c(ccnc1SCC(C)O)O 62a_100011218427_100000104430 [0,1,0,0,0,1|2,0,0]=4 2344 B14R1.118 COc1c(ccnc1SC[C@@H](C)O)N 62a_100000104429_100009817552 [0,1,0,0,0,1|2,0,0]=4 2345 B14R1.118 COc1c(ccnc1SC[C@@H](C)O)N 62a_100009817552_100000104429 [0,1,0,0,0,1|2,0,0]=4 2346 B14R1.118 COc1c(ccnc1SC[C@@H](C)O)O 62a_100009817552_100000104430 [0,1,0,0,0,1|2,0,0]=4 2347 B14R1.118 COc1c(ncnc1NCC(C)C)N 27a_100000210953_100011998528 [0,1,0,0,0,1|2,0,0]=4 2348 B14R1.118 COc1c(ncnc1SCC(C)C)N 62a_100000210624_100011998528 [0,1,0,0,0,1|2,0,0]=4 2349 B14R1.118 COc1c(ncnc1SCC(C)C)N 62a_100011998528_100000210760 [0,1,0,0,0,1|2,0,0]=4 2350 B14R1.482 C=C(C)CNc1nccnc1OCC 27a_100000765925_200010128176 [0,1,0,0,0,1|0,0,2]=4 2351 B14R1.482 C=C(C)CSc1nccnc1OCC 62a_100000748629_200010128176 [0,1,0,0,0,1|0,0,2]=4 2352 B14R1.482 C=C(C)CSc1nccnc1OCC 62a_200010128176_100000211660 [0,1,0,0,0,1|0,0,2]=4 2353 B14R1.482 CCOc1ccccc1CNC(C)C 207a_100138425928_100000169843 [0,1,0,0,0,1|2,0,0]=4 2354 B14R1.482 CCOc1ccccc1COC(C)C 34a_100000708577_100000210206 [0,1,0,0,0,1|2,0,0]=4 2355 B14R1.482 CCOc1ccccc1COC(C)C 7a_100000708577_100000210206 [0,1,0,0,0,1|2,0,0]=4 2356 B14R1.482 CCOc1ccccc1NCC(C)C 34a_100000211218_100000210624 [0,1,0,0,0,1|2,0,0]=4 2357 B14R1.482 CCOc1ccccc1OCC(C)C 34a_100000211404_100000210624 [0,1,0,0,0,1|2,0,0]=4 2358 B14R1.482 CCOc1ccccc1OCC(C)C 7a_100000211404_100000210760 [0,1,0,0,0,1|2,0,0]=4 2359 B14R1.482 CCOc1ccccc1SCC(C)C 62a_100000210624_100000230754 [0,1,0,0,0,1|2,0,0]=4 2360 B14R1.482 CCOc1ccccc1SCC(C)C 62a_100000230754_100000210760 [0,1,0,0,0,1|2,0,0]=4 2361 B14R1.482 CCOc1cccnc1C=CC(C)C 271570a_100016257149_100011597540 [0,1,0,0,0,1|1,0,1]=4 2362 B14R1.482 CCOc1cccnc1CNC(C)C 207a_100138425928_100009876934 [0,1,0,0,0,1|1,0,0]=3 2363 B14R1.482 CCOc1cccnc1SCC(C)C 62a_100000210624_100011597540 [0,1,0,0,0,1|1,0,0]=3 2364 B14R1.482 CCOc1cccnc1SCC(C)C 62a_100011597540_100000210760 [0,1,0,0,0,1|1,0,0]=3 2365 B14R1.482 CCOc1cccnc1SCC(C)O 62a_100011218427_100011597540 [0,1,0,0,0,1|2,0,0]=4 2366 B14R1.482 CCOc1cccnc1SCC(C)O 62a_100011597540_100011218427 [0,1,0,0,0,1|2,0,0]=4 2367 B14R1.482 CCOc1cccnc1SC[C@@H](C)O 62a_100009817552_100011597540 [0,1,0,0,0,1|2,0,0]=4 2368 B14R1.482 CCOc1cccnc1SC[C@@H](C)O 62a_100011597540_100009817552 [0,1,0,0,0,1|2,0,0]=4 2369 B14R1.482 CCOc1ncccc1C=CC(C)C 271570a_100016257149_100011465154 [0,1,0,0,0,1|1,0,1]=4 2370 B14R1.482 CCOc1ncccc1CNC(C)C 207a_100138425928_100011290805 [0,1,0,0,0,1|1,0,0]=3 2371 B14R1.482 CCOc1ncccc1OCC(C)C 34a_100011998697_100000210624 [0,1,0,0,0,1|1,0,0]=3 2372 B14R1.482 CCOc1ncccc1OCC(C)O 34a_100011998697_100011218427 [0,1,0,0,0,1|2,0,0]=4 2373 B14R1.482 CCOc1ncccc1OC[C@@H](C)O 34a_100011998697_100009817552 [0,1,0,0,0,1|2,0,0]=4 2374 B14R1.482 CCOc1ncccc1SCC(C)C 62a_100000210624_100011465154 [0,1,0,0,0,1|1,0,0]=3 2375 B14R1.482 CCOc1ncccc1SCC(C)C 62a_100011465154_100000210760 [0,1,0,0,0,1|1,0,0]=3 2376 B14R1.482 CCOc1ncccc1SCC(C)O 62a_100011218427_100011465154 [0,1,0,0,0,1|2,0,0]=4 2377 B14R1.482 CCOc1ncccc1SCC(C)O 62a_100011465154_100011218427 [0,1,0,0,0,1|2,0,0]=4 2378 B14R1.482 CCOc1ncccc1SC[C@@H](C)O 62a_100009817552_100011465154 [0,1,0,0,0,1|2,0,0]=4 2379 B14R1.482 CCOc1ncccc1SC[C@@H](C)O 62a_100011465154_100009817552 [0,1,0,0,0,1|2,0,0]=4 2380 B14R1.482 CCOc1nccnc1C=CC(C)C 271570a_100016257149_200010128176 [0,1,0,0,0,1|0,0,1]=3 2381 B14R1.482 CCOc1nccnc1C=CC(C)O 271570a_200011019289_200010128176 [0,1,0,0,0,1|1,0,1]=4 2382 B14R1.482 CCOc1nccnc1NCC(C)C 27a_100000210953_200010128176 [0,1,0,0,0,1|0,0,0]=2 2383 B14R1.482 CCOc1nccnc1NCC(C)O 27a_100000210904_200010128176 [0,1,0,0,0,1|1,0,0]=3 2384 B14R1.482 CCOc1nccnc1NCC(F)F 27a_100000765723_200010128176 [0,1,0,0,0,1|2,0,0]=4 2385 B14R1.482 CCOc1nccnc1SCC(C)C 62a_100000210624_200010128176 [0,1,0,0,0,1|0,0,0]=2 2386 B14R1.482 CCOc1nccnc1SCC(C)C 62a_200010128176_100000210760 [0,1,0,0,0,1|0,0,0]=2 2387 B14R1.482 CCOc1nccnc1SCC(C)O 62a_100011218427_200010128176 [0,1,0,0,0,1|1,0,0]=3 2388 B14R1.482 CCOc1nccnc1SCC(C)O 62a_200010128176_100011218427 [0,1,0,0,0,1|1,0,0]=3 2389 B14R1.482 CCOc1nccnc1SCC(F)F 62a_100011934356_200010128176 [0,1,0,0,0,1|2,0,0]=4 2390 B14R1.482 CCOc1nccnc1SCC(F)F 62a_200010128176_100011934356 [0,1,0,0,0,1|2,0,0]=4 2391 B14R1.482 CCOc1nccnc1SC[C@@H](C)O 62a_100009817552_200010128176 [0,1,0,0,0,1|1,0,0]=3 2392 B14R1.482 CCOc1nccnc1SC[C@@H](C)O 62a_200010128176_100009817552 [0,1,0,0,0,1|1,0,0]=3 2393 B14R1.482 CNCc1cccnc1SCC(C)C 62a_100000210624_103496529121 [0,1,0,0,0,1|2,0,0]=4 2394 B14R1.482 CNCc1cccnc1SCC(C)C 62a_103496529121_100000210760 [0,1,0,0,0,1|2,0,0]=4 2395 B14R1.482 COCc1ccccc1OCC(C)C 34a_100011488565_100000210624 [0,1,0,0,0,1|2,0,0]=4 2396 B14R1.482 COCc1ccccc1OCC(C)C 7a_100011488565_100000210760 [0,1,0,0,0,1|2,0,0]=4 2397 B14R1.482 COCc1ccccc1SCC(C)C 62a_100000210624_100011493684 [0,1,0,0,0,1|2,0,0]=4 2398 B14R1.482 COCc1ccccc1SCC(C)C 62a_100011493684_100000210760 [0,1,0,0,0,1|2,0,0]=4 2399 B14R1.840 C=C(C)CN(C)c1nccnc1OC 27a_100000225649_100009858322 [0,1,0,0,0,1|0,0,2]=4 2400 B14R1.840 CC(C)CN(C)c1nccnc1C#N 27a_100000747067_100000040484 [0,1,0,0,0,1|2,0,0]=4 2401 B14R1.840 CC(C)C[C@H](N)c1nccnc1C#N 271570a_100015190218_100000040484 [0,1,0,0,0,1|2,0,0]=4 2402 B14R1.840 CC(C)C[C@H](N)c1nccnc1CN 271570a_100015190218_100000729963 [0,1,0,0,0,1|2,0,0]=4 2403 B14R1.840 CC(C)C[C@H](N)c1nccnc1CO 271570a_100015190218_100000057004 [0,1,0,0,0,1|2,0,0]=4 2404 B14R1.840 CC(C)C[C@H](N)c1nccnc1NN 271570a_100015190218_100000755098 [0,1,0,0,0,1|2,0,0]=4 2405 B14R1.840 CCc1ncccc1[C@@H](N)CC(C)C 271570a_100015190218_100009877225 [0,1,0,0,0,1|2,0,0]=4 2406 B14R1.840 CCc1nccnc1N(C)CC(C)C 27a_100000747067_100011995844 [0,1,0,0,0,1|1,0,0]=3 2407 B14R1.840 CCc1nccnc1N(C)CC(C)O 27a_100000227577_100011995844 [0,1,0,0,0,1|2,0,0]=4 2408 B14R1.840 CCc1nccnc1[C@@H](N)CC(C)C 271570a_100015190218_100011995844 [0,1,0,0,0,1|1,0,0]=3 2409 B14R1.840 CNc1cccnc1[C@@H](N)CC(C)C 271570a_100015190218_200011806188 [0,1,0,0,0,1|2,0,0]=4 2410 B14R1.840 CNc1ncccc1[C@@H](N)CC(C)C 271570a_100015190218_100000700899 [0,1,0,0,0,1|2,0,0]=4 2411 B14R1.840 CNc1nccnc1[C@@H](N)CC(C)C 271570a_100015190218_100011529439 [0,1,0,0,0,1|1,0,0]=3 2412 B14R1.840 COc1ccccc1C(=O)CC(C)C 1458a_100000185835_100000210624 [0,1,0,0,0,1|2,0,0]=4 2413 B14R1.840 COc1ccccc1C(C)NC(C)C 2230a_100000185323_100000210206 [0,1,0,0,0,1|2,0,0]=4 2414 B14R1.840 COc1ccccc1C(C)OC(C)C 7a_100000742714_100000210206 [0,1,0,0,0,1|2,0,0]=4 2415 B14R1.840 COc1ccccc1N(C)CC(C)C 2230a_100000219746_100000210760 [0,1,0,0,0,1|2,0,0]=4 2416 B14R1.840 COc1ccccc1N(C)CC(C)C 269982a_100000219746_100000210624 [0,1,0,0,0,1|2,0,0]=4 2417 B14R1.840 COc1ccccc1N(C)CC(C)C 34a_100000219746_100000210624 [0,1,0,0,0,1|2,0,0]=4 2418 B14R1.840 COc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000174000 [0,1,0,0,0,1|2,0,0]=4 2419 B14R1.840 COc1cccnc1[C@@H](N)CC(C)C 271570a_100015190218_100000690851 [0,1,0,0,0,1|1,0,0]=3 2420 B14R1.840 COc1cncnc1N(C)CC(C)C 27a_100000747067_100012001275 [0,1,0,0,0,1|2,0,0]=4 2421 B14R1.840 COc1cncnc1[C@@H](N)CC(C)C 271570a_100015190218_100012001275 [0,1,0,0,0,1|2,0,0]=4 2422 B14R1.840 COc1ncccc1[C@@H](N)CC(C)C 271570a_100015190218_100000047025 [0,1,0,0,0,1|1,0,0]=3 2423 B14R1.840 COc1nccnc1N(C)CC(C)C 27a_100000747067_100009858322 [0,1,0,0,0,1|0,0,0]=2 2424 B14R1.840 COc1nccnc1N(C)CC(C)O 27a_100000227577_100009858322 [0,1,0,0,0,1|1,0,0]=3 2425 B14R1.840 COc1nccnc1[C@@H](N)CC(C)C 271570a_100015190218_100000749998 [0,1,0,0,0,1|0,0,0]=2 2426 B14R1.840 COc1ncncc1[C@@H](N)CC(C)C 271570a_100015190218_100000719902 [0,1,0,0,0,1|2,0,0]=4 2427 B14R1.840 CSc1ncccc1[C@@H](N)CC(C)C 271570a_100015190218_100011465278 [0,1,0,0,0,1|1,1,0]=4 2428 B14R1.863 C#CC(C)NCc1cccnc1OC 2230a_100000707721_100020631285 [0,1,0,0,0,1|1,0,1]=4 2429 B14R1.863 C#CC(C)NCc1cccnc1OC 270004a_100000707721_100011290804 [0,1,0,0,0,1|1,0,1]=4 2430 B14R1.863 C#CC(C)NCc1cccnc1OC 34a_100000707721_100020631285 [0,1,0,0,0,1|1,0,1]=4 2431 B14R1.863 C#CC(C)NCc1ncccc1OC 270004a_100000707721_100011912573 [0,1,0,0,0,1|1,0,1]=4 2432 B14R1.863 C#CC(C)OCc1cccnc1OC 34a_100000717863_200000035995 [0,1,0,0,0,1|1,0,1]=4 2433 B14R1.863 C#CC(C)OCc1ncccc1OC 34a_100011998681_200000035995 [0,1,0,0,0,1|1,0,1]=4 2434 B14R1.863 C#CC(C)SCc1cccnc1OC 62a_200000035995_100020631285 [0,1,0,0,0,1|1,0,1]=4 2435 B14R1.863 C#C[C@@H](C)OCc1cccnc1OC 34a_100009815206_100020631285 [0,1,0,0,0,1|1,0,1]=4 2436 B14R1.863 C#C[C@@H](C)OCc1cccnc1OC 7a_100009815206_100020631285 [0,1,0,0,0,1|1,0,1]=4 2437 B14R1.863 C=CC(C)OCc1cccnc1OC 34a_100000695699_100020631285 [0,1,0,0,0,1|1,0,1]=4 2438 B14R1.863 C=CC(C)SCc1cccnc1OC 62a_100011215867_100020631285 [0,1,0,0,0,1|1,0,1]=4 2439 B14R1.863 C=CC(O)CSc1nccnc1OC 62a_100000730141_100000749998 [0,1,0,0,0,1|1,0,1]=4 2440 B14R1.863 C=CC(O)CSc1nccnc1OC 62a_100009858322_100000730141 [0,1,0,0,0,1|1,0,1]=4 2441 B14R1.863 CC(CO)CNc1nccnc1C#N 27a_100000744482_100000040484 [0,1,0,0,0,1|2,0,0]=4 2442 B14R1.863 CCC(=O)CSc1nccnc1OC 62a_100000747405_100000749998 [0,1,0,0,0,1|1,0,1]=4 2443 B14R1.863 CCC(=O)CSc1nccnc1OC 62a_100009858322_100000747405 [0,1,0,0,0,1|1,0,1]=4 2444 B14R1.863 CCC(C)CNc1ccccc1OC 34a_100000210025_100000748023 [0,1,0,0,0,1|2,0,0]=4 2445 B14R1.863 CCC(C)CNc1nccnc1C#N 27a_100020588543_100000040484 [0,1,0,0,0,1|2,0,0]=4 2446 B14R1.863 CCC(C)CNc1nccnc1OC 27a_100020588543_100009858322 [0,1,0,0,0,1|0,0,0]=2 2447 B14R1.863 CCC(C)CNc1ncncc1OC 27a_100020588543_100012001275 [0,1,0,0,0,1|2,0,0]=4 2448 B14R1.863 CCC(C)COc1ccccc1OC 34a_100000210385_100000748023 [0,1,0,0,0,1|2,0,0]=4 2449 B14R1.863 CCC(C)COc1cccnc1OC 34a_100000698397_100000748023 [0,1,0,0,0,1|1,0,0]=3 2450 B14R1.863 CCC(C)COc1cccnc1OC 7a_100000698397_100000748023 [0,1,0,0,0,1|1,0,0]=3 2451 B14R1.863 CCC(C)COc1ncccc1OC 34a_100025773188_100000748023 [0,1,0,0,0,1|1,0,0]=3 2452 B14R1.863 CCC(C)CSc1ccccc1OC 62a_100000210334_100000748023 [0,1,0,0,0,1|2,0,0]=4 2453 B14R1.863 CCC(C)CSc1ccccc1OC 62a_100000748023_100000210334 [0,1,0,0,0,1|2,0,0]=4 2454 B14R1.863 CCC(C)CSc1cccnc1NC 62a_100000700899_100000748023 [0,1,0,0,0,1|2,0,0]=4 2455 B14R1.863 CCC(C)CSc1cccnc1NC 62a_100000748023_100000700899 [0,1,0,0,0,1|2,0,0]=4 2456 B14R1.863 CCC(C)CSc1cccnc1OC 62a_100000047025_100000748023 [0,1,0,0,0,1|1,0,0]=3 2457 B14R1.863 CCC(C)CSc1cccnc1OC 62a_100000748023_100000047025 [0,1,0,0,0,1|1,0,0]=3 2458 B14R1.863 CCC(C)CSc1cccnc1SC 62a_100000748023_100011465278 [0,1,0,0,0,1|1,1,0]=4 2459 B14R1.863 CCC(C)CSc1cccnc1SC 62a_100011465278_100000748023 [0,1,0,0,0,1|1,1,0]=4 2460 B14R1.863 CCC(C)CSc1cncnc1OC 62a_100000719902_100000748023 [0,1,0,0,0,1|2,0,0]=4 2461 B14R1.863 CCC(C)CSc1cncnc1OC 62a_100000748023_100000719902 [0,1,0,0,0,1|2,0,0]=4 2462 B14R1.863 CCC(C)CSc1ncccc1NC 62a_100000748023_200011806188 [0,1,0,0,0,1|2,0,0]=4 2463 B14R1.863 CCC(C)CSc1ncccc1OC 62a_100000748023_100000690851 [0,1,0,0,0,1|1,0,0]=3 2464 B14R1.863 CCC(C)CSc1ncccc1OC 62a_100000767102_100000748023 [0,1,0,0,0,1|1,0,0]=3 2465 B14R1.863 CCC(C)CSc1nccnc1C#N 62a_100000748023_100000040484 [0,1,0,0,0,1|2,0,0]=4 2466 B14R1.863 CCC(C)CSc1nccnc1C=O 62a_100000051000_100000748023 [0,1,0,0,0,1|2,0,0]=4 2467 B14R1.863 CCC(C)CSc1nccnc1C=O 62a_100000748023_100000051000 [0,1,0,0,0,1|2,0,0]=4 2468 B14R1.863 CCC(C)CSc1nccnc1CN 62a_100000729963_100000748023 [0,1,0,0,0,1|2,0,0]=4 2469 B14R1.863 CCC(C)CSc1nccnc1CN 62a_100000748023_100000729963 [0,1,0,0,0,1|2,0,0]=4 2470 B14R1.863 CCC(C)CSc1nccnc1CO 62a_100000057004_100000748023 [0,1,0,0,0,1|2,0,0]=4 2471 B14R1.863 CCC(C)CSc1nccnc1CO 62a_100000748023_100000057004 [0,1,0,0,0,1|2,0,0]=4 2472 B14R1.863 CCC(C)CSc1nccnc1NC 62a_100000748023_100011529439 [0,1,0,0,0,1|1,0,0]=3 2473 B14R1.863 CCC(C)CSc1nccnc1NN 62a_100000748023_100000755098 [0,1,0,0,0,1|2,0,0]=4 2474 B14R1.863 CCC(C)CSc1nccnc1OC 62a_100000748023_100000749998 [0,1,0,0,0,1|0,0,0]=2 2475 B14R1.863 CCC(C)CSc1nccnc1OC 62a_100009858322_100000748023 [0,1,0,0,0,1|0,0,0]=2 2476 B14R1.863 CCC(C)CSc1ncncc1OC 62a_100000748023_100012001275 [0,1,0,0,0,1|2,0,0]=4 2477 B14R1.863 CCC(C)CSc1ncncc1OC 62a_100012001275_100000748023 [0,1,0,0,0,1|2,0,0]=4 2478 B14R1.863 CCC(C)NCc1ccccc1OC 207a_100000209981_100000169842 [0,1,0,0,0,1|2,0,0]=4 2479 B14R1.863 CCC(C)NCc1ccccc1OC 2230a_100000209981_100000210004 [0,1,0,0,0,1|2,0,0]=4 2480 B14R1.863 CCC(C)NCc1ccccc1OC 270004a_100000209981_100000169842 [0,1,0,0,0,1|2,0,0]=4 2481 B14R1.863 CCC(C)NCc1ccccc1OC 34a_100000188900_100011215416 [0,1,0,0,0,1|2,0,0]=4 2482 B14R1.863 CCC(C)NCc1cccnc1OC 207a_100000209981_100011290804 [0,1,0,0,0,1|1,0,0]=3 2483 B14R1.863 CCC(C)NCc1cccnc1OC 2230a_100000209981_100020631285 [0,1,0,0,0,1|1,0,0]=3 2484 B14R1.863 CCC(C)NCc1cccnc1OC 270004a_100000209981_100011290804 [0,1,0,0,0,1|1,0,0]=3 2485 B14R1.863 CCC(C)NCc1ncccc1OC 207a_100000209981_100011912573 [0,1,0,0,0,1|1,0,0]=3 2486 B14R1.863 CCC(C)NCc1ncccc1OC 270004a_100000209981_100011912573 [0,1,0,0,0,1|1,0,0]=3 2487 B14R1.863 CCC(C)OCc1ccccc1OC 34a_100000211301_100011215416 [0,1,0,0,0,1|2,0,0]=4 2488 B14R1.863 CCC(C)OCc1ccccc1OC 7a_100000210228_100000210004 [0,1,0,0,0,1|2,0,0]=4 2489 B14R1.863 CCC(C)OCc1cccnc1OC 34a_100000717863_100011215416 [0,1,0,0,0,1|1,0,0]=3 2490 B14R1.863 CCC(C)OCc1cccnc1OC 7a_100000210228_100020631285 [0,1,0,0,0,1|1,0,0]=3 2491 B14R1.863 CCC(C)OCc1ncccc1OC 34a_100011998681_100011215416 [0,1,0,0,0,1|1,0,0]=3 2492 B14R1.863 CCC(C)SCc1ccccc1OC 62a_100000210004_100000758301 [0,1,0,0,0,1|2,0,0]=4 2493 B14R1.863 CCC(C)SCc1ccccc1OC 62a_100000758301_100000210004 [0,1,0,0,0,1|2,0,0]=4 2494 B14R1.863 CCC(C)SCc1cccnc1OC 62a_100000758301_100020631285 [0,1,0,0,0,1|1,0,0]=3 2495 B14R1.863 CCC(C)SCc1cccnc1OC 62a_100020631285_100000758301 [0,1,0,0,0,1|1,0,0]=3 2496 B14R1.863 CCC(O)CNc1nccnc1OC 27a_100011218483_100009858322 [0,1,0,0,0,1|1,0,0]=3 2497 B14R1.863 CCC(O)COc1cccnc1OC 34a_100000698397_100011218378 [0,1,0,0,0,1|2,0,0]=4 2498 B14R1.863 CCC(O)COc1cccnc1OC 7a_100000698397_100011218378 [0,1,0,0,0,1|2,0,0]=4 2499 B14R1.863 CCC(O)COc1ncccc1OC 34a_100025773188_100011218378 [0,1,0,0,0,1|2,0,0]=4 2500 B14R1.863 CCC(O)CSc1cccnc1OC 62a_100000047025_100011218378 [0,1,0,0,0,1|2,0,0]=4 2501 B14R1.863 CCC(O)CSc1cccnc1OC 62a_100011218378_100000047025 [0,1,0,0,0,1|2,0,0]=4 2502 B14R1.863 CCC(O)CSc1ncccc1OC 62a_100000767102_100011218378 [0,1,0,0,0,1|2,0,0]=4 2503 B14R1.863 CCC(O)CSc1ncccc1OC 62a_100011218378_100000690851 [0,1,0,0,0,1|2,0,0]=4 2504 B14R1.863 CCC(O)CSc1nccnc1NC 62a_100011218378_100011529439 [0,1,0,0,0,1|2,0,0]=4 2505 B14R1.863 CCC(O)CSc1nccnc1OC 62a_100009858322_100011218378 [0,1,0,0,0,1|1,0,0]=3 2506 B14R1.863 CCC(O)CSc1nccnc1OC 62a_100011218378_100000749998 [0,1,0,0,0,1|1,0,0]=3 2507 B14R1.863 CC[C@H](C)CNc1ccccc1OC 34a_100000210025_100009816398 [0,1,0,0,0,1|2,0,0]=4 2508 B14R1.863 CC[C@H](C)COc1ccccc1OC 34a_100000210385_100009816398 [0,1,0,0,0,1|2,0,0]=4 2509 B14R1.863 CC[C@H](C)COc1cccnc1OC 34a_100000698397_100009816398 [0,1,0,0,0,1|1,0,0]=3 2510 B14R1.863 CC[C@H](C)COc1cccnc1OC 7a_100000698397_100009816398 [0,1,0,0,0,1|1,0,0]=3 2511 B14R1.863 CC[C@H](C)COc1ncccc1OC 34a_100025773188_100009816398 [0,1,0,0,0,1|1,0,0]=3 2512 B14R1.863 CC[C@H](C)CSc1ccccc1OC 62a_100000210334_100009816398 [0,1,0,0,0,1|2,0,0]=4 2513 B14R1.863 CC[C@H](C)CSc1ccccc1OC 62a_100009816398_100000210334 [0,1,0,0,0,1|2,0,0]=4 2514 B14R1.863 CC[C@H](C)CSc1cccnc1NC 62a_100000700899_100009816398 [0,1,0,0,0,1|2,0,0]=4 2515 B14R1.863 CC[C@H](C)CSc1cccnc1NC 62a_100009816398_100000700899 [0,1,0,0,0,1|2,0,0]=4 2516 B14R1.863 CC[C@H](C)CSc1cccnc1OC 62a_100000047025_100009816398 [0,1,0,0,0,1|1,0,0]=3 2517 B14R1.863 CC[C@H](C)CSc1cccnc1OC 62a_100009816398_100000047025 [0,1,0,0,0,1|1,0,0]=3 2518 B14R1.863 CC[C@H](C)CSc1cccnc1SC 62a_100009816398_100011465278 [0,1,0,0,0,1|1,1,0]=4 2519 B14R1.863 CC[C@H](C)CSc1cccnc1SC 62a_100011465278_100009816398 [0,1,0,0,0,1|1,1,0]=4 2520 B14R1.863 CC[C@H](C)CSc1cncnc1OC 62a_100000719902_100009816398 [0,1,0,0,0,1|2,0,0]=4 2521 B14R1.863 CC[C@H](C)CSc1cncnc1OC 62a_100009816398_100000719902 [0,1,0,0,0,1|2,0,0]=4 2522 B14R1.863 CC[C@H](C)CSc1ncccc1NC 62a_100009816398_200011806188 [0,1,0,0,0,1|2,0,0]=4 2523 B14R1.863 CC[C@H](C)CSc1ncccc1OC 62a_100000767102_100009816398 [0,1,0,0,0,1|1,0,0]=3 2524 B14R1.863 CC[C@H](C)CSc1ncccc1OC 62a_100009816398_100000690851 [0,1,0,0,0,1|1,0,0]=3 2525 B14R1.863 CC[C@H](C)CSc1nccnc1C#N 62a_100009816398_100000040484 [0,1,0,0,0,1|2,0,0]=4 2526 B14R1.863 CC[C@H](C)CSc1nccnc1C=O 62a_100000051000_100009816398 [0,1,0,0,0,1|2,0,0]=4 2527 B14R1.863 CC[C@H](C)CSc1nccnc1C=O 62a_100009816398_100000051000 [0,1,0,0,0,1|2,0,0]=4 2528 B14R1.863 CC[C@H](C)CSc1nccnc1CN 62a_100000729963_100009816398 [0,1,0,0,0,1|2,0,0]=4 2529 B14R1.863 CC[C@H](C)CSc1nccnc1CN 62a_100009816398_100000729963 [0,1,0,0,0,1|2,0,0]=4 2530 B14R1.863 CC[C@H](C)CSc1nccnc1CO 62a_100000057004_100009816398 [0,1,0,0,0,1|2,0,0]=4 2531 B14R1.863 CC[C@H](C)CSc1nccnc1CO 62a_100009816398_100000057004 [0,1,0,0,0,1|2,0,0]=4 2532 B14R1.863 CC[C@H](C)CSc1nccnc1NC 62a_100009816398_100011529439 [0,1,0,0,0,1|1,0,0]=3 2533 B14R1.863 CC[C@H](C)CSc1nccnc1NN 62a_100009816398_100000755098 [0,1,0,0,0,1|2,0,0]=4 2534 B14R1.863 CC[C@H](C)CSc1nccnc1OC 62a_100009816398_100000749998 [0,1,0,0,0,1|0,0,0]=2 2535 B14R1.863 CC[C@H](C)CSc1nccnc1OC 62a_100009858322_100009816398 [0,1,0,0,0,1|0,0,0]=2 2536 B14R1.863 CC[C@H](C)CSc1ncncc1OC 62a_100009816398_100012001275 [0,1,0,0,0,1|2,0,0]=4 2537 B14R1.863 CC[C@H](C)CSc1ncncc1OC 62a_100012001275_100009816398 [0,1,0,0,0,1|2,0,0]=4 2538 B14R1.863 CCc1ncccc1SCC(C)CC 62a_100000748023_100009877225 [0,1,0,0,0,1|2,0,0]=4 2539 B14R1.863 CCc1ncccc1SCC(C)CC 62a_100009877225_100000748023 [0,1,0,0,0,1|2,0,0]=4 2540 B14R1.863 CCc1ncccc1SC[C@@H](C)CC 62a_100009816398_100009877225 [0,1,0,0,0,1|2,0,0]=4 2541 B14R1.863 CCc1ncccc1SC[C@@H](C)CC 62a_100009877225_100009816398 [0,1,0,0,0,1|2,0,0]=4 2542 B14R1.863 CCc1ncccc1SC[C@@H](C)CO 62a_100000059175_100009877225 [0,1,0,0,0,1|2,0,0]=4 2543 B14R1.863 CCc1ncccc1SC[C@@H](C)CO 62a_100009877225_100000059175 [0,1,0,0,0,1|2,0,0]=4 2544 B14R1.863 CCc1nccnc1NCC(C)CC 27a_100020588543_100011995844 [0,1,0,0,0,1|1,0,0]=3 2545 B14R1.863 CCc1nccnc1NCC(C)CO 27a_100000744482_100011995844 [0,1,0,0,0,1|1,0,0]=3 2546 B14R1.863 CCc1nccnc1NCC(O)CC 27a_100011218483_100011995844 [0,1,0,0,0,1|2,0,0]=4 2547 B14R1.863 CCc1nccnc1NC[C@@H](C)OC 27a_100020591295_100011995844 [0,1,0,0,0,1|1,0,0]=3 2548 B14R1.863 CCc1nccnc1NC[C@@H](F)CO 27a_100015665980_100011995844 [0,1,0,0,0,1|2,0,0]=4 2549 B14R1.863 CCc1nccnc1NC[C@H](O)CO 27a_100020644852_100011995844 [0,1,0,0,0,1|2,0,0]=4 2550 B14R1.863 CCc1nccnc1SCC(C)CC 62a_100000748023_100011995844 [0,1,0,0,0,1|1,0,0]=3 2551 B14R1.863 CCc1nccnc1SCC(C)CC 62a_100011995844_100000748023 [0,1,0,0,0,1|1,0,0]=3 2552 B14R1.863 CCc1nccnc1SCC(O)CC 62a_100011218378_100011995844 [0,1,0,0,0,1|2,0,0]=4 2553 B14R1.863 CCc1nccnc1SCC(O)CC 62a_100011995844_100011218378 [0,1,0,0,0,1|2,0,0]=4 2554 B14R1.863 CCc1nccnc1SCC(O)CO 62a_100011219619_100011995844 [0,1,0,0,0,1|2,0,0]=4 2555 B14R1.863 CCc1nccnc1SCC(O)CO 62a_100011995844_100011219619 [0,1,0,0,0,1|2,0,0]=4 2556 B14R1.863 CCc1nccnc1SC[C@@H](C)CC 62a_100009816398_100011995844 [0,1,0,0,0,1|1,0,0]=3 2557 B14R1.863 CCc1nccnc1SC[C@@H](C)CC 62a_100011995844_100009816398 [0,1,0,0,0,1|1,0,0]=3 2558 B14R1.863 CCc1nccnc1SC[C@@H](C)CO 62a_100000059175_100011995844 [0,1,0,0,0,1|1,0,0]=3 2559 B14R1.863 CCc1nccnc1SC[C@@H](C)CO 62a_100011995844_100000059175 [0,1,0,0,0,1|1,0,0]=3 2560 B14R1.863 CCc1nccnc1SC[C@@H](O)CF 62a_100011995844_100015614560 [0,1,0,0,0,1|2,0,0]=4 2561 B14R1.863 CCc1nccnc1SC[C@@H](O)CF 62a_100015614560_100011995844 [0,1,0,0,0,1|2,0,0]=4 2562 B14R1.863 CCc1nccnc1SC[C@@H](O)CO 62a_100009815848_100011995844 [0,1,0,0,0,1|2,0,0]=4 2563 B14R1.863 CCc1nccnc1SC[C@@H](O)CO 62a_100011995844_100009815848 [0,1,0,0,0,1|2,0,0]=4 2564 B14R1.863 CNC(=O)CNc1nccnc1OC 27a_100000693194_100009858322 [0,1,0,0,0,1|1,0,1]=4 2565 B14R1.863 CNC(=O)CSc1nccnc1OC 62a_100000183359_100000749998 [0,1,0,0,0,1|1,0,1]=4 2566 B14R1.863 CNC(=O)CSc1nccnc1OC 62a_100009858322_100000183359 [0,1,0,0,0,1|1,0,1]=4 2567 B14R1.863 CNC(C)COc1ccccc1OC 2230a_100000743626_200000210301 [0,1,0,0,0,1|2,0,0]=4 2568 B14R1.863 CNc1cccnc1SC[C@@H](C)CO 62a_100000059175_200011806188 [0,1,0,0,0,1|2,0,0]=4 2569 B14R1.863 CNc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000700899 [0,1,0,0,0,1|2,0,0]=4 2570 B14R1.863 CNc1ncccc1SC[C@@H](C)CO 62a_100000700899_100000059175 [0,1,0,0,0,1|2,0,0]=4 2571 B14R1.863 CNc1nccnc1SCC(O)CO 62a_100011219619_100011529439 [0,1,0,0,0,1|2,0,0]=4 2572 B14R1.863 CNc1nccnc1SC[C@@H](C)CO 62a_100000059175_100011529439 [0,1,0,0,0,1|1,0,0]=3 2573 B14R1.863 CNc1nccnc1SC[C@@H](O)CF 62a_100015614560_100011529439 [0,1,0,0,0,1|2,0,0]=4 2574 B14R1.863 CNc1nccnc1SC[C@@H](O)CO 62a_100009815848_100011529439 [0,1,0,0,0,1|2,0,0]=4 2575 B14R1.863 COC(=O)CSc1nccnc1OC 62a_100000747449_100000749998 [0,1,0,0,0,1|1,0,1]=4 2576 B14R1.863 COC(=O)CSc1nccnc1OC 62a_100009858322_100000747449 [0,1,0,0,0,1|1,0,1]=4 2577 B14R1.863 CO[C@H](C)CNc1nccnc1C#N 27a_100020591295_100000040484 [0,1,0,0,0,1|2,0,0]=4 2578 B14R1.863 COc1ccccc1CNC(C)CO 34a_100000188900_100012180447 [0,1,0,0,0,1|2,0,0]=4 2579 B14R1.863 COc1ccccc1CN[C@H](C)CF 207a_100102880703_100000169842 [0,1,0,0,0,1|2,0,0]=4 2580 B14R1.863 COc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000169842 [0,1,0,0,0,1|2,0,0]=4 2581 B14R1.863 COc1ccccc1CN[C@H](C)CO 207a_100000737577_100000169842 [0,1,0,0,0,1|2,0,0]=4 2582 B14R1.863 COc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000210004 [0,1,0,0,0,1|2,0,0]=4 2583 B14R1.863 COc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000169842 [0,1,0,0,0,1|2,0,0]=4 2584 B14R1.863 COc1ccccc1COC(C)CF 34a_100016041109_100000210004 [0,1,0,0,0,1|2,0,0]=4 2585 B14R1.863 COc1ccccc1COC(C)CF 7a_100016041109_100000210004 [0,1,0,0,0,1|2,0,0]=4 2586 B14R1.863 COc1ccccc1COC(C)CN 34a_100000210904_100000210004 [0,1,0,0,0,1|2,0,0]=4 2587 B14R1.863 COc1ccccc1COC(C)CO 34a_100000211301_100012180447 [0,1,0,0,0,1|2,0,0]=4 2588 B14R1.863 COc1ccccc1CSC(C)CO 62a_100012180447_100000210004 [0,1,0,0,0,1|2,0,0]=4 2589 B14R1.863 COc1ccccc1CSC(C)OC 62a_100000210004_100009879195 [0,1,0,0,0,1|2,0,0]=4 2590 B14R1.863 COc1ccccc1CSC(C)OC 62a_100009879195_100000210004 [0,1,0,0,0,1|2,0,0]=4 2591 B14R1.863 COc1ccccc1CS[C@H](C)CO 62a_100000210004_100016084084 [0,1,0,0,0,1|2,0,0]=4 2592 B14R1.863 COc1ccccc1CS[C@H](C)CO 62a_100016084084_100000210004 [0,1,0,0,0,1|2,0,0]=4 2593 B14R1.863 COc1ccccc1NC[C@@H](C)CO 34a_100000210025_100000059175 [0,1,0,0,0,1|2,0,0]=4 2594 B14R1.863 COc1ccccc1OCC(C)N[13CH3] 2230a_100000743626_200025704644 [0,1,0,0,0,1|2,0,0]=4 2595 B14R1.863 COc1ccccc1OCC(C)OC 34a_100000242603_200000210301 [0,1,0,0,0,1|2,0,0]=4 2596 B14R1.863 COc1ccccc1OCC(C)OC 7a_100000242603_200000210301 [0,1,0,0,0,1|2,0,0]=4 2597 B14R1.863 COc1ccccc1OCC(C)O[13CH3] 34a_100000242603_200025704644 [0,1,0,0,0,1|2,0,0]=4 2598 B14R1.863 COc1ccccc1OCC(C)O[13CH3] 7a_100000242603_200025704644 [0,1,0,0,0,1|2,0,0]=4 2599 B14R1.863 COc1ccccc1OC[C@@H](C)CO 34a_100000210385_100000059175 [0,1,0,0,0,1|2,0,0]=4 2600 B14R1.863 COc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210334 [0,1,0,0,0,1|2,0,0]=4 2601 B14R1.863 COc1ccccc1SC[C@@H](C)CO 62a_100000210334_100000059175 [0,1,0,0,0,1|2,0,0]=4 2602 B14R1.863 COc1cccnc1CN[C@H](C)CF 207a_100102880703_100011912573 [0,1,0,0,0,1|1,0,0]=3 2603 B14R1.863 COc1cccnc1CN[C@H](C)CF 270004a_100102880703_100011912573 [0,1,0,0,0,1|1,0,0]=3 2604 B14R1.863 COc1cccnc1CN[C@H](C)CO 207a_100000737577_100011912573 [0,1,0,0,0,1|1,0,0]=3 2605 B14R1.863 COc1cccnc1CN[C@H](C)CO 270004a_100000737577_100011912573 [0,1,0,0,0,1|1,0,0]=3 2606 B14R1.863 COc1cccnc1COC(C)CO 34a_100011998681_100012180447 [0,1,0,0,0,1|1,0,0]=3 2607 B14R1.863 COc1cccnc1OCC(O)CO 34a_100025773188_100011219619 [0,1,0,0,0,1|2,0,0]=4 2608 B14R1.863 COc1cccnc1OC[C@@H](C)CO 34a_100025773188_100000059175 [0,1,0,0,0,1|1,0,0]=3 2609 B14R1.863 COc1cccnc1OC[C@@H](O)CF 34a_100025773188_100015614560 [0,1,0,0,0,1|2,0,0]=4 2610 B14R1.863 COc1cccnc1OC[C@@H](O)CO 34a_100025773188_100009815848 [0,1,0,0,0,1|2,0,0]=4 2611 B14R1.863 COc1cccnc1SCC(O)CO 62a_100000767102_100011219619 [0,1,0,0,0,1|2,0,0]=4 2612 B14R1.863 COc1cccnc1SCC(O)CO 62a_100011219619_100000690851 [0,1,0,0,0,1|2,0,0]=4 2613 B14R1.863 COc1cccnc1SC[C@@H](C)CO 62a_100000059175_100000690851 [0,1,0,0,0,1|1,0,0]=3 2614 B14R1.863 COc1cccnc1SC[C@@H](C)CO 62a_100000767102_100000059175 [0,1,0,0,0,1|1,0,0]=3 2615 B14R1.863 COc1cccnc1SC[C@@H](O)CF 62a_100000767102_100015614560 [0,1,0,0,0,1|2,0,0]=4 2616 B14R1.863 COc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000690851 [0,1,0,0,0,1|2,0,0]=4 2617 B14R1.863 COc1cccnc1SC[C@@H](O)CO 62a_100000767102_100009815848 [0,1,0,0,0,1|2,0,0]=4 2618 B14R1.863 COc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000690851 [0,1,0,0,0,1|2,0,0]=4 2619 B14R1.863 COc1cncnc1NCC(C)CO 27a_100000744482_100012001275 [0,1,0,0,0,1|2,0,0]=4 2620 B14R1.863 COc1cncnc1NC[C@@H](C)OC 27a_100020591295_100012001275 [0,1,0,0,0,1|2,0,0]=4 2621 B14R1.863 COc1cncnc1SC[C@@H](C)CO 62a_100000059175_100012001275 [0,1,0,0,0,1|2,0,0]=4 2622 B14R1.863 COc1cncnc1SC[C@@H](C)CO 62a_100012001275_100000059175 [0,1,0,0,0,1|2,0,0]=4 2623 B14R1.863 COc1ncccc1CNC(C)C#N 2230a_100000737613_100020631285 [0,1,0,0,0,1|1,0,1]=4 2624 B14R1.863 COc1ncccc1CN[C@H](C)CF 207a_100102880703_100011290804 [0,1,0,0,0,1|1,0,0]=3 2625 B14R1.863 COc1ncccc1CN[C@H](C)CF 270004a_100102880703_100011290804 [0,1,0,0,0,1|1,0,0]=3 2626 B14R1.863 COc1ncccc1CN[C@H](C)CO 207a_100000737577_100011290804 [0,1,0,0,0,1|1,0,0]=3 2627 B14R1.863 COc1ncccc1CN[C@H](C)CO 2230a_100000737577_100020631285 [0,1,0,0,0,1|1,0,0]=3 2628 B14R1.863 COc1ncccc1CN[C@H](C)CO 270004a_100000737577_100011290804 [0,1,0,0,0,1|1,0,0]=3 2629 B14R1.863 COc1ncccc1COC(C)C#N 34a_100011218135_100020631285 [0,1,0,0,0,1|1,0,1]=4 2630 B14R1.863 COc1ncccc1COC(C)CF 34a_100016041109_100020631285 [0,1,0,0,0,1|1,0,0]=3 2631 B14R1.863 COc1ncccc1COC(C)CF 7a_100016041109_100020631285 [0,1,0,0,0,1|1,0,0]=3 2632 B14R1.863 COc1ncccc1COC(C)CN 34a_100000210904_100020631285 [0,1,0,0,0,1|1,0,0]=3 2633 B14R1.863 COc1ncccc1COC(C)CO 34a_100000717863_100012180447 [0,1,0,0,0,1|1,0,0]=3 2634 B14R1.863 COc1ncccc1CSC(C)C#N 62a_100000703298_100020631285 [0,1,0,0,0,1|1,0,1]=4 2635 B14R1.863 COc1ncccc1CSC(C)C#N 62a_100020631285_100000703298 [0,1,0,0,0,1|1,0,1]=4 2636 B14R1.863 COc1ncccc1CSC(C)CO 62a_100012180447_100020631285 [0,1,0,0,0,1|1,0,0]=3 2637 B14R1.863 COc1ncccc1CSC(C)OC 62a_100009879195_100020631285 [0,1,0,0,0,1|1,0,0]=3 2638 B14R1.863 COc1ncccc1CSC(C)OC 62a_100020631285_100009879195 [0,1,0,0,0,1|1,0,0]=3 2639 B14R1.863 COc1ncccc1CS[C@H](C)CO 62a_100016084084_100020631285 [0,1,0,0,0,1|1,0,0]=3 2640 B14R1.863 COc1ncccc1CS[C@H](C)CO 62a_100020631285_100016084084 [0,1,0,0,0,1|1,0,0]=3 2641 B14R1.863 COc1ncccc1OCC(O)CO 34a_100000698397_100011219619 [0,1,0,0,0,1|2,0,0]=4 2642 B14R1.863 COc1ncccc1OCC(O)CO 7a_100000698397_100011219619 [0,1,0,0,0,1|2,0,0]=4 2643 B14R1.863 COc1ncccc1OC[C@@H](C)CO 34a_100000698397_100000059175 [0,1,0,0,0,1|1,0,0]=3 2644 B14R1.863 COc1ncccc1OC[C@@H](C)CO 7a_100000698397_100000059175 [0,1,0,0,0,1|1,0,0]=3 2645 B14R1.863 COc1ncccc1OC[C@@H](O)CF 34a_100000698397_100015614560 [0,1,0,0,0,1|2,0,0]=4 2646 B14R1.863 COc1ncccc1OC[C@@H](O)CF 7a_100000698397_100015614560 [0,1,0,0,0,1|2,0,0]=4 2647 B14R1.863 COc1ncccc1OC[C@@H](O)CO 34a_100000698397_100009815848 [0,1,0,0,0,1|2,0,0]=4 2648 B14R1.863 COc1ncccc1OC[C@@H](O)CO 7a_100000698397_100009815848 [0,1,0,0,0,1|2,0,0]=4 2649 B14R1.863 COc1ncccc1SCC(O)CO 62a_100000047025_100011219619 [0,1,0,0,0,1|2,0,0]=4 2650 B14R1.863 COc1ncccc1SCC(O)CO 62a_100011219619_100000047025 [0,1,0,0,0,1|2,0,0]=4 2651 B14R1.863 COc1ncccc1SC[C@@H](C)CO 62a_100000047025_100000059175 [0,1,0,0,0,1|1,0,0]=3 2652 B14R1.863 COc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000047025 [0,1,0,0,0,1|1,0,0]=3 2653 B14R1.863 COc1ncccc1SC[C@@H](O)CF 62a_100000047025_100015614560 [0,1,0,0,0,1|2,0,0]=4 2654 B14R1.863 COc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000047025 [0,1,0,0,0,1|2,0,0]=4 2655 B14R1.863 COc1ncccc1SC[C@@H](O)CO 62a_100000047025_100009815848 [0,1,0,0,0,1|2,0,0]=4 2656 B14R1.863 COc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000047025 [0,1,0,0,0,1|2,0,0]=4 2657 B14R1.863 COc1nccnc1NCC(C)CO 27a_100000744482_100009858322 [0,1,0,0,0,1|0,0,0]=2 2658 B14R1.863 COc1nccnc1NC[C@@H](C)OC 27a_100020591295_100009858322 [0,1,0,0,0,1|0,0,0]=2 2659 B14R1.863 COc1nccnc1NC[C@@H](F)CO 27a_100015665980_100009858322 [0,1,0,0,0,1|1,0,0]=3 2660 B14R1.863 COc1nccnc1NC[C@H](O)CO 27a_100020644852_100009858322 [0,1,0,0,0,1|1,0,0]=3 2661 B14R1.863 COc1nccnc1NN=C(C)CF 4a_100000702116_100000039719 [0,1,0,0,0,1|1,0,1]=4 2662 B14R1.863 COc1nccnc1NN=C(C)CO 4a_100000702116_100000211253 [0,1,0,0,0,1|1,0,1]=4 2663 B14R1.863 COc1nccnc1SCC(O)CO 62a_100009858322_100011219619 [0,1,0,0,0,1|1,0,0]=3 2664 B14R1.863 COc1nccnc1SCC(O)CO 62a_100011219619_100000749998 [0,1,0,0,0,1|1,0,0]=3 2665 B14R1.863 COc1nccnc1SC[C@@H](C)CO 62a_100000059175_100000749998 [0,1,0,0,0,1|0,0,0]=2 2666 B14R1.863 COc1nccnc1SC[C@@H](C)CO 62a_100009858322_100000059175 [0,1,0,0,0,1|0,0,0]=2 2667 B14R1.863 COc1nccnc1SC[C@@H](O)CF 62a_100009858322_100015614560 [0,1,0,0,0,1|1,0,0]=3 2668 B14R1.863 COc1nccnc1SC[C@@H](O)CF 62a_100015614560_100000749998 [0,1,0,0,0,1|1,0,0]=3 2669 B14R1.863 COc1nccnc1SC[C@@H](O)CO 62a_100009815848_100000749998 [0,1,0,0,0,1|1,0,0]=3 2670 B14R1.863 COc1nccnc1SC[C@@H](O)CO 62a_100009858322_100009815848 [0,1,0,0,0,1|1,0,0]=3 2671 B14R1.863 COc1ncncc1SC[C@@H](C)CO 62a_100000059175_100000719902 [0,1,0,0,0,1|2,0,0]=4 2672 B14R1.863 COc1ncncc1SC[C@@H](C)CO 62a_100000719902_100000059175 [0,1,0,0,0,1|2,0,0]=4 2673 B14R1.863 CSc1ncccc1SC[C@@H](C)CO 62a_100000059175_100011465278 [0,1,0,0,0,1|1,1,0]=4 2674 B14R1.863 CSc1ncccc1SC[C@@H](C)CO 62a_100011465278_100000059175 [0,1,0,0,0,1|1,1,0]=4 2675 B14R1.863 C[C@@H](CO)CSc1nccnc1C#N 62a_100000059175_100000040484 [0,1,0,0,0,1|2,0,0]=4 2676 B14R1.863 C[C@@H](CO)CSc1nccnc1C=O 62a_100000051000_100000059175 [0,1,0,0,0,1|2,0,0]=4 2677 B14R1.863 C[C@@H](CO)CSc1nccnc1C=O 62a_100000059175_100000051000 [0,1,0,0,0,1|2,0,0]=4 2678 B14R1.863 C[C@@H](CO)CSc1nccnc1CN 62a_100000059175_100000729963 [0,1,0,0,0,1|2,0,0]=4 2679 B14R1.863 C[C@@H](CO)CSc1nccnc1CN 62a_100000729963_100000059175 [0,1,0,0,0,1|2,0,0]=4 2680 B14R1.863 C[C@@H](CO)CSc1nccnc1CO 62a_100000057004_100000059175 [0,1,0,0,0,1|2,0,0]=4 2681 B14R1.863 C[C@@H](CO)CSc1nccnc1CO 62a_100000059175_100000057004 [0,1,0,0,0,1|2,0,0]=4 2682 B14R1.863 C[C@@H](CO)CSc1nccnc1NN 62a_100000059175_100000755098 [0,1,0,0,0,1|2,0,0]=4 2683 B14R1.1600 C=C(C)CSc1ncc(nc1OC)Br 62a_100000748629_100010214903 [0,1,0,0,0,1|0,0,2]=4 2684 B14R1.1600 C=C(C)CSc1ncc(nc1OC)Br 62a_100010214903_100000211660 [0,1,0,0,0,1|0,0,2]=4 2685 B14R1.1600 C=C(C)CSc1ncc(nc1OC)N 62a_100000748629_100010128448 [0,1,0,0,0,1|0,0,2]=4 2686 B14R1.1600 C=C(C)CSc1ncc(nc1OC)N 62a_100010128448_100000211660 [0,1,0,0,0,1|0,0,2]=4 2687 B14R1.1600 CCc1nc(ccc1OCC(C)C)C 34a_100000718140_100000210624 [0,1,0,0,0,1|2,0,0]=4 2688 B14R1.1600 CCc1nc(ccc1OCC(C)C)C 7a_100000718140_100000210760 [0,1,0,0,0,1|2,0,0]=4 2689 B14R1.1600 CNc1cc(cnc1OCC(C)C)C 27a_100102657272_200012348017 [0,1,0,0,0,1|2,0,0]=4 2690 B14R1.1600 COc1cc(ccc1CNC(C)C)Br 207a_100138425928_100000697075 [0,1,0,0,0,1|2,0,0]=4 2691 B14R1.1600 COc1cc(ccc1CNC(C)C)Br 2230a_100138425928_100012359436 [0,1,0,0,0,1|2,0,0]=4 2692 B14R1.1600 COc1cc(ccc1CNC(C)C)Br 34a_100138425928_100012359436 [0,1,0,0,0,1|2,0,0]=4 2693 B14R1.1600 COc1cc(ccc1CNC(C)C)C 207a_100138425928_100000689369 [0,1,0,0,0,1|2,0,0]=4 2694 B14R1.1600 COc1cc(ccc1CNC(C)C)Cl 207a_100138425928_100000235374 [0,1,0,0,0,1|2,0,0]=4 2695 B14R1.1600 COc1cc(ccc1CNC(C)C)F 207a_100138425928_100000042785 [0,1,0,0,0,1|2,0,0]=4 2696 B14R1.1600 COc1cc(ccc1CNC(C)C)F 2230a_100138425928_200010171551 [0,1,0,0,0,1|2,0,0]=4 2697 B14R1.1600 COc1cc(ccc1CNC(C)C)F 34a_100000062129_100000210206 [0,1,0,0,0,1|2,0,0]=4 2698 B14R1.1600 COc1cc(ccc1CNC(C)C)F 34a_100138425928_200010171551 [0,1,0,0,0,1|2,0,0]=4 2699 B14R1.1600 COc1cc(ccc1CNC(C)C)I 207a_100138425928_100010290300 [0,1,0,0,0,1|2,0,0]=4 2700 B14R1.1600 COc1cc(ccc1COC(C)C)Br 34a_100000212225_100012359436 [0,1,0,0,0,1|2,0,0]=4 2701 B14R1.1600 COc1cc(ccc1COC(C)C)Br 34a_100011277633_100000210206 [0,1,0,0,0,1|2,0,0]=4 2702 B14R1.1600 COc1cc(ccc1COC(C)C)Br 7a_100011277633_100000210206 [0,1,0,0,0,1|2,0,0]=4 2703 B14R1.1600 COc1cc(ccc1COC(C)C)C 34a_200012017176_100000210206 [0,1,0,0,0,1|2,0,0]=4 2704 B14R1.1600 COc1cc(ccc1COC(C)C)C 7a_200012017176_100000210206 [0,1,0,0,0,1|2,0,0]=4 2705 B14R1.1600 COc1cc(ccc1COC(C)C)Cl 34a_200011215853_100000210206 [0,1,0,0,0,1|2,0,0]=4 2706 B14R1.1600 COc1cc(ccc1COC(C)C)Cl 7a_200011215853_100000210206 [0,1,0,0,0,1|2,0,0]=4 2707 B14R1.1600 COc1cc(ccc1COC(C)C)F 34a_100000117171_100000210206 [0,1,0,0,0,1|2,0,0]=4 2708 B14R1.1600 COc1cc(ccc1COC(C)C)F 34a_100000212225_200010171551 [0,1,0,0,0,1|2,0,0]=4 2709 B14R1.1600 COc1cc(ccc1COC(C)C)F 7a_100000117171_100000210206 [0,1,0,0,0,1|2,0,0]=4 2710 B14R1.1600 COc1cc(ccc1COC(C)C)I 34a_100010233823_100000210206 [0,1,0,0,0,1|2,0,0]=4 2711 B14R1.1600 COc1cc(ccc1COC(C)C)I 7a_100010233823_100000210206 [0,1,0,0,0,1|2,0,0]=4 2712 B14R1.1600 COc1cc(ccc1COC(C)C)N 34a_100012183141_100000210206 [0,1,0,0,0,1|2,0,0]=4 2713 B14R1.1600 COc1cc(ccc1CSC(C)C)Br 62a_100000210206_100012359436 [0,1,0,0,0,1|2,0,0]=4 2714 B14R1.1600 COc1cc(ccc1CSC(C)C)Br 62a_100012359436_100000210206 [0,1,0,0,0,1|2,0,0]=4 2715 B14R1.1600 COc1cc(ccc1CSC(C)C)F 62a_100000210206_200010171551 [0,1,0,0,0,1|2,0,0]=4 2716 B14R1.1600 COc1cc(ccc1CSC(C)C)F 62a_200010171551_100000210206 [0,1,0,0,0,1|2,0,0]=4 2717 B14R1.1600 COc1cc(ccc1NCC(C)C)Br 34a_100011279103_100000210624 [0,1,0,0,0,1|2,0,0]=4 2718 B14R1.1600 COc1cc(ccc1NCC(C)C)C 2230a_100000746441_100000210760 [0,1,0,0,0,1|2,0,0]=4 2719 B14R1.1600 COc1cc(ccc1NCC(C)C)C 34a_100000746441_100000210624 [0,1,0,0,0,1|2,0,0]=4 2720 B14R1.1600 COc1cc(ccc1NCC(C)C)Cl 34a_100000707585_100000210624 [0,1,0,0,0,1|2,0,0]=4 2721 B14R1.1600 COc1cc(ccc1NCC(C)C)F 34a_100000737216_100000210624 [0,1,0,0,0,1|2,0,0]=4 2722 B14R1.1600 COc1cc(ccc1NCC(C)C)I 34a_100015196925_100000210624 [0,1,0,0,0,1|2,0,0]=4 2723 B14R1.1600 COc1cc(ccc1NCC(C)C)O 34a_100015326901_100000210624 [0,1,0,0,0,1|2,0,0]=4 2724 B14R1.1600 COc1cc(ccc1OCC(C)C)Br 34a_100000694246_100000210624 [0,1,0,0,0,1|2,0,0]=4 2725 B14R1.1600 COc1cc(ccc1OCC(C)C)Br 7a_100000694246_100000210760 [0,1,0,0,0,1|2,0,0]=4 2726 B14R1.1600 COc1cc(ccc1OCC(C)C)C 34a_100000186466_100000210624 [0,1,0,0,0,1|2,0,0]=4 2727 B14R1.1600 COc1cc(ccc1OCC(C)C)Cl 34a_100000033002_100000210624 [0,1,0,0,0,1|2,0,0]=4 2728 B14R1.1600 COc1cc(ccc1OCC(C)C)F 34a_100000036057_100000210624 [0,1,0,0,0,1|2,0,0]=4 2729 B14R1.1600 COc1cc(ccc1OCC(C)C)F 7a_100000036057_100000210760 [0,1,0,0,0,1|2,0,0]=4 2730 B14R1.1600 COc1cc(ccc1OCC(C)C)I 34a_100000049635_100000210624 [0,1,0,0,0,1|2,0,0]=4 2731 B14R1.1600 COc1cc(ccc1OCC(C)C)N 34a_100000726020_100000210624 [0,1,0,0,0,1|2,0,0]=4 2732 B14R1.1600 COc1cc(ccc1SCC(C)C)Br 62a_100000210624_100010245111 [0,1,0,0,0,1|2,0,0]=4 2733 B14R1.1600 COc1cc(ccc1SCC(C)C)Br 62a_100010245111_100000210760 [0,1,0,0,0,1|2,0,0]=4 2734 B14R1.1600 COc1cc(ccc1SCC(C)C)C 62a_100000210624_100010200004 [0,1,0,0,0,1|2,0,0]=4 2735 B14R1.1600 COc1cc(ccc1SCC(C)C)C 62a_100010200004_100000210760 [0,1,0,0,0,1|2,0,0]=4 2736 B14R1.1600 COc1cc(ccc1SCC(C)C)Cl 62a_100000050115_100000210760 [0,1,0,0,0,1|2,0,0]=4 2737 B14R1.1600 COc1cc(ccc1SCC(C)C)Cl 62a_100000210624_100000050115 [0,1,0,0,0,1|2,0,0]=4 2738 B14R1.1600 COc1cc(ccc1SCC(C)C)F 62a_100000210624_100000757151 [0,1,0,0,0,1|2,0,0]=4 2739 B14R1.1600 COc1cc(ccc1SCC(C)C)F 62a_100000757151_100000210760 [0,1,0,0,0,1|2,0,0]=4 2740 B14R1.1600 COc1cc(ccc1SCC(C)C)N 62a_100000210624_100000765947 [0,1,0,0,0,1|2,0,0]=4 2741 B14R1.1600 COc1cc(ccc1SCC(C)C)N 62a_100000765947_100000210760 [0,1,0,0,0,1|2,0,0]=4 2742 B14R1.1600 COc1cc(ccc1SCC(C)C)O 62a_100000210624_100011827694 [0,1,0,0,0,1|2,0,0]=4 2743 B14R1.1600 COc1cc(cnc1C=CC(C)C)C 271570a_100016257149_200000118316 [0,1,0,0,0,1|1,0,1]=4 2744 B14R1.1600 COc1cc(cnc1C=CC(C)C)F 271570a_100016257149_100009867738 [0,1,0,0,0,1|1,0,1]=4 2745 B14R1.1600 COc1cc(cnc1C=CC(C)C)N 271570a_100016257149_100000097218 [0,1,0,0,0,1|1,0,1]=4 2746 B14R1.1600 COc1cc(cnc1CNC(C)C)Br 207a_100138425928_100010246152 [0,1,0,0,0,1|1,0,0]=3 2747 B14R1.1600 COc1cc(cnc1COC(C)C)Br 34a_200010246159_100000210206 [0,1,0,0,0,1|1,0,0]=3 2748 B14R1.1600 COc1cc(cnc1COC(C)C)Br 7a_200010246159_100000210206 [0,1,0,0,0,1|1,0,0]=3 2749 B14R1.1600 COc1cc(cnc1OCC(C)C)Cl 34a_200009845368_100000210624 [0,1,0,0,0,1|1,0,0]=3 2750 B14R1.1600 COc1cc(cnc1OCC(C)O)Cl 34a_200009845368_100011218427 [0,1,0,0,0,1|2,0,0]=4 2751 B14R1.1600 COc1cc(cnc1OC[C@@H](C)O)Cl 34a_200009845368_100009817552 [0,1,0,0,0,1|2,0,0]=4 2752 B14R1.1600 COc1cc(cnc1SCC(C)C)C 62a_100000210624_200000118316 [0,1,0,0,0,1|1,0,0]=3 2753 B14R1.1600 COc1cc(cnc1SCC(C)C)F 62a_100000210624_100009867738 [0,1,0,0,0,1|1,0,0]=3 2754 B14R1.1600 COc1cc(cnc1SCC(C)C)F 62a_100010136273_100000210760 [0,1,0,0,0,1|1,0,0]=3 2755 B14R1.1600 COc1cc(cnc1SCC(C)C)N 62a_100000210624_100000097218 [0,1,0,0,0,1|1,0,0]=3 2756 B14R1.1600 COc1cc(cnc1SCC(C)C)N 62a_200010291755_100000210760 [0,1,0,0,0,1|1,0,0]=3 2757 B14R1.1600 COc1cc(cnc1SCC(C)O)C 62a_100011218427_200000118316 [0,1,0,0,0,1|2,0,0]=4 2758 B14R1.1600 COc1cc(cnc1SCC(C)O)F 62a_100010136273_100011218427 [0,1,0,0,0,1|2,0,0]=4 2759 B14R1.1600 COc1cc(cnc1SCC(C)O)F 62a_100011218427_100009867738 [0,1,0,0,0,1|2,0,0]=4 2760 B14R1.1600 COc1cc(cnc1SCC(C)O)N 62a_100011218427_100000097218 [0,1,0,0,0,1|2,0,0]=4 2761 B14R1.1600 COc1cc(cnc1SCC(C)O)N 62a_200010291755_100011218427 [0,1,0,0,0,1|2,0,0]=4 2762 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)C 62a_100009817552_200000118316 [0,1,0,0,0,1|2,0,0]=4 2763 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)F 62a_100009817552_100009867738 [0,1,0,0,0,1|2,0,0]=4 2764 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)F 62a_100010136273_100009817552 [0,1,0,0,0,1|2,0,0]=4 2765 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)N 62a_100009817552_100000097218 [0,1,0,0,0,1|2,0,0]=4 2766 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)N 62a_200010291755_100009817552 [0,1,0,0,0,1|2,0,0]=4 2767 B14R1.1600 COc1nc(ccc1C=CC(C)C)C 271570a_100016257149_100010138632 [0,1,0,0,0,1|1,0,1]=4 2768 B14R1.1600 COc1nc(ccc1C=CC(C)C)N 271570a_100016257149_100010187630 [0,1,0,0,0,1|1,0,1]=4 2769 B14R1.1600 COc1nc(ccc1CNC(C)C)Br 2230a_100138425928_100016029037 [0,1,0,0,0,1|1,0,0]=3 2770 B14R1.1600 COc1nc(ccc1CNC(C)C)Br 34a_100138425928_100016029037 [0,1,0,0,0,1|1,0,0]=3 2771 B14R1.1600 COc1nc(ccc1CNC(C)C)Cl 2230a_100015687481_100000210206 [0,1,0,0,0,1|1,0,0]=3 2772 B14R1.1600 COc1nc(ccc1CNC(C)C)Cl 34a_100015687481_100000210206 [0,1,0,0,0,1|1,0,0]=3 2773 B14R1.1600 COc1nc(ccc1COC(C)C)Br 34a_100000212225_100016029037 [0,1,0,0,0,1|1,0,0]=3 2774 B14R1.1600 COc1nc(ccc1COC(C)C)Br 34a_100010988397_100000210206 [0,1,0,0,0,1|1,0,0]=3 2775 B14R1.1600 COc1nc(ccc1COC(C)C)Cl 34a_200009869906_100000210206 [0,1,0,0,0,1|1,0,0]=3 2776 B14R1.1600 COc1nc(ccc1CSC(C)C)Br 62a_100000210206_100016029037 [0,1,0,0,0,1|1,0,0]=3 2777 B14R1.1600 COc1nc(ccc1CSC(C)C)Br 62a_100016029037_100000210206 [0,1,0,0,0,1|1,0,0]=3 2778 B14R1.1600 COc1nc(ccc1OCC(C)C)Br 34a_100010893133_100000210624 [0,1,0,0,0,1|1,0,0]=3 2779 B14R1.1600 COc1nc(ccc1OCC(C)O)Br 34a_100010893133_100011218427 [0,1,0,0,0,1|2,0,0]=4 2780 B14R1.1600 COc1nc(ccc1OC[C@@H](C)O)Br 34a_100010893133_100009817552 [0,1,0,0,0,1|2,0,0]=4 2781 B14R1.1600 COc1nc(ccc1SCC(C)C)C 62a_100000210624_100010138632 [0,1,0,0,0,1|1,0,0]=3 2782 B14R1.1600 COc1nc(ccc1SCC(C)C)C 62a_100010138632_100000210760 [0,1,0,0,0,1|1,0,0]=3 2783 B14R1.1600 COc1nc(ccc1SCC(C)C)N 62a_100000210624_100010187630 [0,1,0,0,0,1|1,0,0]=3 2784 B14R1.1600 COc1nc(ccc1SCC(C)C)N 62a_100010187630_100000210760 [0,1,0,0,0,1|1,0,0]=3 2785 B14R1.1600 COc1nc(ccc1SCC(C)O)C 62a_100010138632_100011218427 [0,1,0,0,0,1|2,0,0]=4 2786 B14R1.1600 COc1nc(ccc1SCC(C)O)C 62a_100011218427_100010138632 [0,1,0,0,0,1|2,0,0]=4 2787 B14R1.1600 COc1nc(ccc1SCC(C)O)N 62a_100010187630_100011218427 [0,1,0,0,0,1|2,0,0]=4 2788 B14R1.1600 COc1nc(ccc1SCC(C)O)N 62a_100011218427_100010187630 [0,1,0,0,0,1|2,0,0]=4 2789 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)C 62a_100009817552_100010138632 [0,1,0,0,0,1|2,0,0]=4 2790 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)C 62a_100010138632_100009817552 [0,1,0,0,0,1|2,0,0]=4 2791 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)N 62a_100009817552_100010187630 [0,1,0,0,0,1|2,0,0]=4 2792 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)N 62a_100010187630_100009817552 [0,1,0,0,0,1|2,0,0]=4 2793 B14R1.1600 COc1nc(cnc1C=CC(C)C)Br 271570a_100016257149_100010214903 [0,1,0,0,0,1|0,0,1]=3 2794 B14R1.1600 COc1nc(cnc1C=CC(C)C)N 271570a_100016257149_100010128448 [0,1,0,0,0,1|0,0,1]=3 2795 B14R1.1600 COc1nc(cnc1C=CC(C)O)Br 271570a_200011019289_100010214903 [0,1,0,0,0,1|1,0,1]=4 2796 B14R1.1600 COc1nc(cnc1C=CC(C)O)N 271570a_200011019289_100010128448 [0,1,0,0,0,1|1,0,1]=4 2797 B14R1.1600 COc1nc(cnc1SCC(C)C)Br 62a_100000210624_100010214903 [0,1,0,0,0,1|0,0,0]=2 2798 B14R1.1600 COc1nc(cnc1SCC(C)C)Br 62a_100010214903_100000210760 [0,1,0,0,0,1|0,0,0]=2 2799 B14R1.1600 COc1nc(cnc1SCC(C)C)N 62a_100000210624_100010128448 [0,1,0,0,0,1|0,0,0]=2 2800 B14R1.1600 COc1nc(cnc1SCC(C)C)N 62a_100010128448_100000210760 [0,1,0,0,0,1|0,0,0]=2 2801 B14R1.1600 COc1nc(cnc1SCC(C)O)Br 62a_100010214903_100011218427 [0,1,0,0,0,1|1,0,0]=3 2802 B14R1.1600 COc1nc(cnc1SCC(C)O)Br 62a_100011218427_100010214903 [0,1,0,0,0,1|1,0,0]=3 2803 B14R1.1600 COc1nc(cnc1SCC(C)O)N 62a_100010128448_100011218427 [0,1,0,0,0,1|1,0,0]=3 2804 B14R1.1600 COc1nc(cnc1SCC(C)O)N 62a_100011218427_100010128448 [0,1,0,0,0,1|1,0,0]=3 2805 B14R1.1600 COc1nc(cnc1SCC(F)F)Br 62a_100010214903_100011934356 [0,1,0,0,0,1|2,0,0]=4 2806 B14R1.1600 COc1nc(cnc1SCC(F)F)Br 62a_100011934356_100010214903 [0,1,0,0,0,1|2,0,0]=4 2807 B14R1.1600 COc1nc(cnc1SCC(F)F)N 62a_100010128448_100011934356 [0,1,0,0,0,1|2,0,0]=4 2808 B14R1.1600 COc1nc(cnc1SCC(F)F)N 62a_100011934356_100010128448 [0,1,0,0,0,1|2,0,0]=4 2809 B14R1.1600 COc1nc(cnc1SC[C@@H](C)O)Br 62a_100009817552_100010214903 [0,1,0,0,0,1|1,0,0]=3 2810 B14R1.1600 COc1nc(cnc1SC[C@@H](C)O)Br 62a_100010214903_100009817552 [0,1,0,0,0,1|1,0,0]=3 2811 B14R1.1600 COc1nc(cnc1SC[C@@H](C)O)N 62a_100009817552_100010128448 [0,1,0,0,0,1|1,0,0]=3 2812 B14R1.1600 COc1nc(cnc1SC[C@@H](C)O)N 62a_100010128448_100009817552 [0,1,0,0,0,1|1,0,0]=3 2813 B14R1.1600 COc1nc(ncc1COC(C)C)Cl 34a_200011024631_100000210206 [0,1,0,0,0,1|2,0,0]=4 2814 B14R1.1600 COc1nc(ncc1SCC(C)C)Cl 62a_100000210624_200010294032 [0,1,0,0,0,1|2,0,0]=4 2815 B14R1.1600 COc1nc(ncc1SCC(C)C)Cl 62a_200010294032_100000210760 [0,1,0,0,0,1|2,0,0]=4 2816 B14R1.1600 COc1nc(ncc1SCC(C)C)N 62a_100000210624_100010240410 [0,1,0,0,0,1|2,0,0]=4 2817 B14R1.1600 COc1nc(ncc1SCC(C)C)N 62a_100010240410_100000210760 [0,1,0,0,0,1|2,0,0]=4 2818 B14R1.1600 CSc1cc(cnc1NCC(C)C)C 27a_100000210953_100010884634 [0,1,0,0,0,1|1,1,0]=4 2819 B14R1.1600 CSc1cc(cnc1OCC(C)C)C 62a_200000210301_200012348017 [0,1,0,0,0,1|1,1,0]=4 2820 B14R1.1600 CSc1cc(cnc1OCC(C)C)C 62a_200012348017_200000210301 [0,1,0,0,0,1|1,1,0]=4 2821 B14R1.1600 CSc1cc(cnc1SCC(C)C)C 62a_100000210624_100010884634 [0,1,0,0,0,1|1,1,0]=4 2822 B14R1.1600 CSc1cc(cnc1SCC(C)C)C 62a_100010884634_100000210760 [0,1,0,0,0,1|1,1,0]=4 2823 B14R1.1600 Cc1cnc(c(c1)S[13CH3])OCC(C)C 62a_200012348017_200025704644 [0,1,0,0,0,1|1,1,0]=4 2824 B14R1.1600 Cc1cnc(c(c1)S[13CH3])OCC(C)C 62a_200025704644_200012348017 [0,1,0,0,0,1|1,1,0]=4 2825 B14R1.1865 CC(C)CNc1nc(cnc1C#N)N 27a_100000210953_100000099870 [0,1,0,0,0,1|2,0,0]=4 2826 B14R1.1865 CC(C)CSc1nc(cnc1C#N)N 62a_100000210624_100000099870 [0,1,0,0,0,1|2,0,0]=4 2827 B14R1.1865 CCc1ncc(cc1SCC(C)C)N 62a_100000210624_100013085292 [0,1,0,0,0,1|2,0,0]=4 2828 B14R1.1865 CCc1ncc(cc1SCC(C)C)N 62a_100013085292_100000210760 [0,1,0,0,0,1|2,0,0]=4 2829 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 207a_100138425928_100000170026 [0,1,0,0,0,1|2,0,0]=4 2830 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 2230a_100138425928_100000204665 [0,1,0,0,0,1|2,0,0]=4 2831 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 34a_100000690498_100000210206 [0,1,0,0,0,1|2,0,0]=4 2832 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 34a_100138425928_100000204665 [0,1,0,0,0,1|2,0,0]=4 2833 B14R1.1865 COc1ccc(cc1CNC(C)C)C 207a_100138425928_100000203738 [0,1,0,0,0,1|2,0,0]=4 2834 B14R1.1865 COc1ccc(cc1CNC(C)C)C 2230a_100138425928_100000199068 [0,1,0,0,0,1|2,0,0]=4 2835 B14R1.1865 COc1ccc(cc1CNC(C)C)C 34a_100138425928_100000199068 [0,1,0,0,0,1|2,0,0]=4 2836 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 207a_100138425928_100000188328 [0,1,0,0,0,1|2,0,0]=4 2837 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 2230a_100000740580_100000210206 [0,1,0,0,0,1|2,0,0]=4 2838 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 2230a_100138425928_100000209806 [0,1,0,0,0,1|2,0,0]=4 2839 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 34a_100000740580_100000210206 [0,1,0,0,0,1|2,0,0]=4 2840 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 34a_100138425928_100000209806 [0,1,0,0,0,1|2,0,0]=4 2841 B14R1.1865 COc1ccc(cc1CNC(C)C)F 207a_100138425928_100000722865 [0,1,0,0,0,1|2,0,0]=4 2842 B14R1.1865 COc1ccc(cc1CNC(C)C)F 2230a_100138425928_100011830354 [0,1,0,0,0,1|2,0,0]=4 2843 B14R1.1865 COc1ccc(cc1CNC(C)C)F 34a_100011199032_100000210206 [0,1,0,0,0,1|2,0,0]=4 2844 B14R1.1865 COc1ccc(cc1CNC(C)C)F 34a_100138425928_100011830354 [0,1,0,0,0,1|2,0,0]=4 2845 B14R1.1865 COc1ccc(cc1CNC(C)C)I 207a_100138425928_100011266407 [0,1,0,0,0,1|2,0,0]=4 2846 B14R1.1865 COc1ccc(cc1CNC(C)C)O 207a_100138425928_100000067581 [0,1,0,0,0,1|2,0,0]=4 2847 B14R1.1865 COc1ccc(cc1COC(C)C)Br 34a_100000204679_100000210206 [0,1,0,0,0,1|2,0,0]=4 2848 B14R1.1865 COc1ccc(cc1COC(C)C)Br 34a_100000212225_100000204665 [0,1,0,0,0,1|2,0,0]=4 2849 B14R1.1865 COc1ccc(cc1COC(C)C)Br 7a_100000204679_100000210206 [0,1,0,0,0,1|2,0,0]=4 2850 B14R1.1865 COc1ccc(cc1COC(C)C)C 34a_100000212225_100000199068 [0,1,0,0,0,1|2,0,0]=4 2851 B14R1.1865 COc1ccc(cc1COC(C)C)C 34a_200000246444_100000210206 [0,1,0,0,0,1|2,0,0]=4 2852 B14R1.1865 COc1ccc(cc1COC(C)C)C 7a_200000246444_100000210206 [0,1,0,0,0,1|2,0,0]=4 2853 B14R1.1865 COc1ccc(cc1COC(C)C)Cl 34a_100000212225_100000209806 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.1865 COc1ccc(cc1COC(C)C)F 34a_100000212225_100011830354 [0,1,0,0,0,1|2,0,0]=4 2855 B14R1.1865 COc1ccc(cc1COC(C)C)F 34a_100011266440_100000210206 [0,1,0,0,0,1|2,0,0]=4 2856 B14R1.1865 COc1ccc(cc1COC(C)C)F 7a_100011266440_100000210206 [0,1,0,0,0,1|2,0,0]=4 2857 B14R1.1865 COc1ccc(cc1COC(C)C)I 34a_200137411115_100000210206 [0,1,0,0,0,1|2,0,0]=4 2858 B14R1.1865 COc1ccc(cc1COC(C)C)I 7a_200137411115_100000210206 [0,1,0,0,0,1|2,0,0]=4 2859 B14R1.1865 COc1ccc(cc1CSC(C)C)Br 62a_100000204665_100000210206 [0,1,0,0,0,1|2,0,0]=4 2860 B14R1.1865 COc1ccc(cc1CSC(C)C)Br 62a_100000210206_100000204665 [0,1,0,0,0,1|2,0,0]=4 2861 B14R1.1865 COc1ccc(cc1CSC(C)C)C 62a_100000199068_100000210206 [0,1,0,0,0,1|2,0,0]=4 2862 B14R1.1865 COc1ccc(cc1CSC(C)C)C 62a_100000210206_100000199068 [0,1,0,0,0,1|2,0,0]=4 2863 B14R1.1865 COc1ccc(cc1CSC(C)C)Cl 62a_100000209806_100000210206 [0,1,0,0,0,1|2,0,0]=4 2864 B14R1.1865 COc1ccc(cc1CSC(C)C)Cl 62a_100000210206_100000209806 [0,1,0,0,0,1|2,0,0]=4 2865 B14R1.1865 COc1ccc(cc1CSC(C)C)F 62a_100000210206_100011830354 [0,1,0,0,0,1|2,0,0]=4 2866 B14R1.1865 COc1ccc(cc1CSC(C)C)F 62a_100011830354_100000210206 [0,1,0,0,0,1|2,0,0]=4 2867 B14R1.1865 COc1ccc(cc1NCC(C)C)Br 34a_100000743470_100000210624 [0,1,0,0,0,1|2,0,0]=4 2868 B14R1.1865 COc1ccc(cc1NCC(C)C)C 2230a_100000210980_100000210760 [0,1,0,0,0,1|2,0,0]=4 2869 B14R1.1865 COc1ccc(cc1NCC(C)C)C 34a_100000210980_100000210624 [0,1,0,0,0,1|2,0,0]=4 2870 B14R1.1865 COc1ccc(cc1NCC(C)C)Cl 34a_100000182114_100000210624 [0,1,0,0,0,1|2,0,0]=4 2871 B14R1.1865 COc1ccc(cc1NCC(C)C)F 34a_100000757179_100000210624 [0,1,0,0,0,1|2,0,0]=4 2872 B14R1.1865 COc1ccc(cc1OCC(C)C)Br 34a_100009816560_100000210624 [0,1,0,0,0,1|2,0,0]=4 2873 B14R1.1865 COc1ccc(cc1OCC(C)C)Br 7a_100009816560_100000210760 [0,1,0,0,0,1|2,0,0]=4 2874 B14R1.1865 COc1ccc(cc1OCC(C)C)C 34a_100011216497_100000210624 [0,1,0,0,0,1|2,0,0]=4 2875 B14R1.1865 COc1ccc(cc1OCC(C)C)C 7a_100011216497_100000210760 [0,1,0,0,0,1|2,0,0]=4 2876 B14R1.1865 COc1ccc(cc1OCC(C)C)Cl 34a_100000101779_100000210624 [0,1,0,0,0,1|2,0,0]=4 2877 B14R1.1865 COc1ccc(cc1OCC(C)C)Cl 7a_100000101779_100000210760 [0,1,0,0,0,1|2,0,0]=4 2878 B14R1.1865 COc1ccc(cc1OCC(C)C)F 34a_100000034962_100000210624 [0,1,0,0,0,1|2,0,0]=4 2879 B14R1.1865 COc1ccc(cc1OCC(C)C)F 7a_100000034962_100000210760 [0,1,0,0,0,1|2,0,0]=4 2880 B14R1.1865 COc1ccc(cc1OCC(C)C)N 34a_100000211920_100000210624 [0,1,0,0,0,1|2,0,0]=4 2881 B14R1.1865 COc1ccc(cc1SCC(C)C)Br 62a_100000210624_100012351588 [0,1,0,0,0,1|2,0,0]=4 2882 B14R1.1865 COc1ccc(cc1SCC(C)C)Br 62a_100012351588_100000210760 [0,1,0,0,0,1|2,0,0]=4 2883 B14R1.1865 COc1ccc(cc1SCC(C)C)C 62a_100000186399_100000210760 [0,1,0,0,0,1|2,0,0]=4 2884 B14R1.1865 COc1ccc(cc1SCC(C)C)C 62a_100000210624_100000186399 [0,1,0,0,0,1|2,0,0]=4 2885 B14R1.1865 COc1ccc(cc1SCC(C)C)Cl 62a_100000210624_100011215930 [0,1,0,0,0,1|2,0,0]=4 2886 B14R1.1865 COc1ccc(cc1SCC(C)C)Cl 62a_100011215930_100000210760 [0,1,0,0,0,1|2,0,0]=4 2887 B14R1.1865 COc1ccc(cc1SCC(C)C)F 62a_100000171694_100000210760 [0,1,0,0,0,1|2,0,0]=4 2888 B14R1.1865 COc1ccc(cc1SCC(C)C)F 62a_100000210624_100000171694 [0,1,0,0,0,1|2,0,0]=4 2889 B14R1.1865 COc1ccc(cc1SCC(C)C)N 62a_100000210624_100011356947 [0,1,0,0,0,1|2,0,0]=4 2890 B14R1.1865 COc1ccc(cc1SCC(C)C)N 62a_100011356947_100000210760 [0,1,0,0,0,1|2,0,0]=4 2891 B14R1.1865 COc1ccc(cc1SCC(C)C)O 62a_100000210624_100010234764 [0,1,0,0,0,1|2,0,0]=4 2892 B14R1.1865 COc1ccc(cc1SCC(C)C)O 62a_100010234764_100000210760 [0,1,0,0,0,1|2,0,0]=4 2893 B14R1.1865 COc1ccc(nc1C=CC(C)C)C 271570a_100016257149_100009820875 [0,1,0,0,0,1|1,0,1]=4 2894 B14R1.1865 COc1ccc(nc1C=CC(C)C)N 271570a_100016257149_100010172607 [0,1,0,0,0,1|1,0,1]=4 2895 B14R1.1865 COc1ccc(nc1SCC(C)C)C 62a_100000210624_100009820875 [0,1,0,0,0,1|1,0,0]=3 2896 B14R1.1865 COc1ccc(nc1SCC(C)C)C 62a_100009820875_100000210760 [0,1,0,0,0,1|1,0,0]=3 2897 B14R1.1865 COc1ccc(nc1SCC(C)C)N 62a_100000210624_100010172607 [0,1,0,0,0,1|1,0,0]=3 2898 B14R1.1865 COc1ccc(nc1SCC(C)C)N 62a_100010172607_100000210760 [0,1,0,0,0,1|1,0,0]=3 2899 B14R1.1865 COc1ccc(nc1SCC(C)O)C 62a_100009820875_100011218427 [0,1,0,0,0,1|2,0,0]=4 2900 B14R1.1865 COc1ccc(nc1SCC(C)O)C 62a_100011218427_100009820875 [0,1,0,0,0,1|2,0,0]=4 2901 B14R1.1865 COc1ccc(nc1SCC(C)O)N 62a_100010172607_100011218427 [0,1,0,0,0,1|2,0,0]=4 2902 B14R1.1865 COc1ccc(nc1SCC(C)O)N 62a_100011218427_100010172607 [0,1,0,0,0,1|2,0,0]=4 2903 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)C 62a_100009817552_100009820875 [0,1,0,0,0,1|2,0,0]=4 2904 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)C 62a_100009820875_100009817552 [0,1,0,0,0,1|2,0,0]=4 2905 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)N 62a_100009817552_100010172607 [0,1,0,0,0,1|2,0,0]=4 2906 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)N 62a_100010172607_100009817552 [0,1,0,0,0,1|2,0,0]=4 2907 B14R1.1865 COc1ncc(cc1C=CC(C)C)Br 271570a_100016257149_100009814608 [0,1,0,0,0,1|1,0,1]=4 2908 B14R1.1865 COc1ncc(cc1C=CC(C)C)C 271570a_100016257149_100012353929 [0,1,0,0,0,1|1,0,1]=4 2909 B14R1.1865 COc1ncc(cc1C=CC(C)C)F 271570a_100016257149_100009828472 [0,1,0,0,0,1|1,0,1]=4 2910 B14R1.1865 COc1ncc(cc1C=CC(C)C)N 271570a_100016257149_100012351452 [0,1,0,0,0,1|1,0,1]=4 2911 B14R1.1865 COc1ncc(cc1CNC(C)C)Br 207a_100138425928_100009814609 [0,1,0,0,0,1|1,0,0]=3 2912 B14R1.1865 COc1ncc(cc1CNC(C)C)Br 2230a_100138425928_100010065838 [0,1,0,0,0,1|1,0,0]=3 2913 B14R1.1865 COc1ncc(cc1CNC(C)C)Br 34a_100138425928_100010065838 [0,1,0,0,0,1|1,0,0]=3 2914 B14R1.1865 COc1ncc(cc1CNC(C)C)C 207a_100138425928_100000118322 [0,1,0,0,0,1|1,0,0]=3 2915 B14R1.1865 COc1ncc(cc1CNC(C)C)F 207a_100138425928_100000081817 [0,1,0,0,0,1|1,0,0]=3 2916 B14R1.1865 COc1ncc(cc1COC(C)C)Br 34a_100000212225_100010065838 [0,1,0,0,0,1|1,0,0]=3 2917 B14R1.1865 COc1ncc(cc1COC(C)C)Br 34a_100000695684_100000210206 [0,1,0,0,0,1|1,0,0]=3 2918 B14R1.1865 COc1ncc(cc1COC(C)C)F 34a_100011997213_100000210206 [0,1,0,0,0,1|1,0,0]=3 2919 B14R1.1865 COc1ncc(cc1CSC(C)C)Br 62a_100000210206_100010065838 [0,1,0,0,0,1|1,0,0]=3 2920 B14R1.1865 COc1ncc(cc1CSC(C)C)Br 62a_100010065838_100000210206 [0,1,0,0,0,1|1,0,0]=3 2921 B14R1.1865 COc1ncc(cc1OCC(C)C)Br 34a_100010135713_100000210624 [0,1,0,0,0,1|1,0,0]=3 2922 B14R1.1865 COc1ncc(cc1OCC(C)O)Br 34a_100010135713_100011218427 [0,1,0,0,0,1|2,0,0]=4 2923 B14R1.1865 COc1ncc(cc1OC[C@@H](C)O)Br 34a_100010135713_100009817552 [0,1,0,0,0,1|2,0,0]=4 2924 B14R1.1865 COc1ncc(cc1SCC(C)C)Br 62a_100000210624_100009814608 [0,1,0,0,0,1|1,0,0]=3 2925 B14R1.1865 COc1ncc(cc1SCC(C)C)Br 62a_100009814608_100000210760 [0,1,0,0,0,1|1,0,0]=3 2926 B14R1.1865 COc1ncc(cc1SCC(C)C)C 62a_100000210624_100012353929 [0,1,0,0,0,1|1,0,0]=3 2927 B14R1.1865 COc1ncc(cc1SCC(C)C)C 62a_100012353929_100000210760 [0,1,0,0,0,1|1,0,0]=3 2928 B14R1.1865 COc1ncc(cc1SCC(C)C)F 62a_100000210624_100009828472 [0,1,0,0,0,1|1,0,0]=3 2929 B14R1.1865 COc1ncc(cc1SCC(C)C)F 62a_100009828472_100000210760 [0,1,0,0,0,1|1,0,0]=3 2930 B14R1.1865 COc1ncc(cc1SCC(C)C)N 62a_100000210624_100012351452 [0,1,0,0,0,1|1,0,0]=3 2931 B14R1.1865 COc1ncc(cc1SCC(C)C)N 62a_100012351452_100000210760 [0,1,0,0,0,1|1,0,0]=3 2932 B14R1.1865 COc1ncc(cc1SCC(C)O)Br 62a_100009814608_100011218427 [0,1,0,0,0,1|2,0,0]=4 2933 B14R1.1865 COc1ncc(cc1SCC(C)O)Br 62a_100011218427_100009814608 [0,1,0,0,0,1|2,0,0]=4 2934 B14R1.1865 COc1ncc(cc1SCC(C)O)C 62a_100011218427_100012353929 [0,1,0,0,0,1|2,0,0]=4 2935 B14R1.1865 COc1ncc(cc1SCC(C)O)C 62a_100012353929_100011218427 [0,1,0,0,0,1|2,0,0]=4 2936 B14R1.1865 COc1ncc(cc1SCC(C)O)F 62a_100009828472_100011218427 [0,1,0,0,0,1|2,0,0]=4 2937 B14R1.1865 COc1ncc(cc1SCC(C)O)F 62a_100011218427_100009828472 [0,1,0,0,0,1|2,0,0]=4 2938 B14R1.1865 COc1ncc(cc1SCC(C)O)N 62a_100011218427_100012351452 [0,1,0,0,0,1|2,0,0]=4 2939 B14R1.1865 COc1ncc(cc1SCC(C)O)N 62a_100012351452_100011218427 [0,1,0,0,0,1|2,0,0]=4 2940 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)Br 62a_100009814608_100009817552 [0,1,0,0,0,1|2,0,0]=4 2941 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)Br 62a_100009817552_100009814608 [0,1,0,0,0,1|2,0,0]=4 2942 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)C 62a_100009817552_100012353929 [0,1,0,0,0,1|2,0,0]=4 2943 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)C 62a_100012353929_100009817552 [0,1,0,0,0,1|2,0,0]=4 2944 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)F 62a_100009817552_100009828472 [0,1,0,0,0,1|2,0,0]=4 2945 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)F 62a_100009828472_100009817552 [0,1,0,0,0,1|2,0,0]=4 2946 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)N 62a_100009817552_100012351452 [0,1,0,0,0,1|2,0,0]=4 2947 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)N 62a_100012351452_100009817552 [0,1,0,0,0,1|2,0,0]=4 2948 B14R1.1865 COc1nnc(cc1SCC(C)C)Cl 62a_100000210624_100000725446 [0,1,0,0,0,1|2,0,0]=4 2949 B14R1.1865 COc1nnc(cc1SCC(C)C)Cl 62a_100000725446_100000210760 [0,1,0,0,0,1|2,0,0]=4 2950 B14R1.2172 COc1cccc(c1CNC(C)C)Br 207a_100138425928_100009814803 [0,1,0,0,0,1|2,0,0]=4 2951 B14R1.2172 COc1cccc(c1CNC(C)C)C 207a_100138425928_100000050978 [0,1,0,0,0,1|2,0,0]=4 2952 B14R1.2172 COc1cccc(c1CNC(C)C)Cl 207a_100138425928_100000757644 [0,1,0,0,0,1|2,0,0]=4 2953 B14R1.2172 COc1cccc(c1CNC(C)C)Cl 2230a_100138425928_100012349678 [0,1,0,0,0,1|2,0,0]=4 2954 B14R1.2172 COc1cccc(c1CNC(C)C)Cl 34a_100138425928_100012349678 [0,1,0,0,0,1|2,0,0]=4 2955 B14R1.2172 COc1cccc(c1CNC(C)C)F 207a_100138425928_100011216730 [0,1,0,0,0,1|2,0,0]=4 2956 B14R1.2172 COc1cccc(c1CNC(C)C)F 2230a_100138425928_100011216731 [0,1,0,0,0,1|2,0,0]=4 2957 B14R1.2172 COc1cccc(c1CNC(C)C)F 34a_100016992011_100000210206 [0,1,0,0,0,1|2,0,0]=4 2958 B14R1.2172 COc1cccc(c1CNC(C)C)F 34a_100138425928_100011216731 [0,1,0,0,0,1|2,0,0]=4 2959 B14R1.2172 COc1cccc(c1COC(C)C)Cl 34a_100000212225_100012349678 [0,1,0,0,0,1|2,0,0]=4 2960 B14R1.2172 COc1cccc(c1COC(C)C)F 34a_100000212225_100011216731 [0,1,0,0,0,1|2,0,0]=4 2961 B14R1.2172 COc1cccc(c1COC(C)C)F 34a_100011216733_100000210206 [0,1,0,0,0,1|2,0,0]=4 2962 B14R1.2172 COc1cccc(c1COC(C)C)F 7a_100011216733_100000210206 [0,1,0,0,0,1|2,0,0]=4 2963 B14R1.2172 COc1cccc(c1CSC(C)C)Cl 62a_100000210206_100012349678 [0,1,0,0,0,1|2,0,0]=4 2964 B14R1.2172 COc1cccc(c1CSC(C)C)Cl 62a_100012349678_100000210206 [0,1,0,0,0,1|2,0,0]=4 2965 B14R1.2172 COc1cccc(c1CSC(C)C)F 62a_100000210206_100011216731 [0,1,0,0,0,1|2,0,0]=4 2966 B14R1.2172 COc1cccc(c1CSC(C)C)F 62a_100011216731_100000210206 [0,1,0,0,0,1|2,0,0]=4 2967 B14R1.2172 COc1cccc(c1NCC(C)C)Br 34a_100000708083_100000210624 [0,1,0,0,0,1|2,0,0]=4 2968 B14R1.2172 COc1cccc(c1NCC(C)C)C 2230a_100000758225_100000210760 [0,1,0,0,0,1|2,0,0]=4 2969 B14R1.2172 COc1cccc(c1NCC(C)C)C 34a_100000758225_100000210624 [0,1,0,0,0,1|2,0,0]=4 2970 B14R1.2172 COc1cccc(c1NCC(C)C)Cl 34a_100011309317_100000210624 [0,1,0,0,0,1|2,0,0]=4 2971 B14R1.2172 COc1cccc(c1NCC(C)C)F 34a_100000686744_100000210624 [0,1,0,0,0,1|2,0,0]=4 2972 B14R1.2172 COc1cccc(c1NCC(C)C)O 34a_100012022766_100000210624 [0,1,0,0,0,1|2,0,0]=4 2973 B14R1.2172 COc1cccc(c1OCC(C)C)Br 34a_100000686866_100000210624 [0,1,0,0,0,1|2,0,0]=4 2974 B14R1.2172 COc1cccc(c1OCC(C)C)C 34a_100011219253_100000210624 [0,1,0,0,0,1|2,0,0]=4 2975 B14R1.2172 COc1cccc(c1OCC(C)C)C 7a_100011219253_100000210760 [0,1,0,0,0,1|2,0,0]=4 2976 B14R1.2172 COc1cccc(c1OCC(C)C)Cl 34a_100009851661_100000210624 [0,1,0,0,0,1|2,0,0]=4 2977 B14R1.2172 COc1cccc(c1OCC(C)C)Cl 7a_100009851661_100000210760 [0,1,0,0,0,1|2,0,0]=4 2978 B14R1.2172 COc1cccc(c1OCC(C)C)F 34a_100000036725_100000210624 [0,1,0,0,0,1|2,0,0]=4 2979 B14R1.2172 COc1cccc(c1OCC(C)C)F 7a_100000036725_100000210760 [0,1,0,0,0,1|2,0,0]=4 2980 B14R1.2172 COc1cccc(c1OCC(C)C)N 34a_100000123586_100000210624 [0,1,0,0,0,1|2,0,0]=4 2981 B14R1.2172 COc1cccc(c1SCC(C)C)Br 62a_100000210624_100010131421 [0,1,0,0,0,1|2,0,0]=4 2982 B14R1.2172 COc1cccc(c1SCC(C)C)Br 62a_100010131421_100000210760 [0,1,0,0,0,1|2,0,0]=4 2983 B14R1.2172 COc1cccc(c1SCC(C)C)C 62a_100000210624_100010191535 [0,1,0,0,0,1|2,0,0]=4 2984 B14R1.2172 COc1cccc(c1SCC(C)C)C 62a_100010191535_100000210760 [0,1,0,0,0,1|2,0,0]=4 2985 B14R1.2172 COc1cccc(c1SCC(C)C)F 62a_100000210624_100000703912 [0,1,0,0,0,1|2,0,0]=4 2986 B14R1.2172 COc1cccc(c1SCC(C)C)F 62a_100000703912_100000210760 [0,1,0,0,0,1|2,0,0]=4 2987 B14R1.2172 COc1cccc(c1SCC(C)C)N 62a_100000210624_100000703447 [0,1,0,0,0,1|2,0,0]=4 2988 B14R1.2172 COc1cccc(c1SCC(C)C)N 62a_100000703447_100000210760 [0,1,0,0,0,1|2,0,0]=4 2989 B14R1.2172 COc1cccc(c1SCC(C)C)O 62a_100000210624_100010202623 [0,1,0,0,0,1|2,0,0]=4 2990 B14R1.2172 COc1nccc(c1C=CC(C)C)C 271570a_100016257149_100012353928 [0,1,0,0,0,1|1,0,1]=4 2991 B14R1.2172 COc1nccc(c1C=CC(C)C)N 271570a_100016257149_100010243811 [0,1,0,0,0,1|1,0,1]=4 2992 B14R1.2172 COc1nccc(c1CNC(C)C)Cl 207a_100138425928_100009849443 [0,1,0,0,0,1|1,0,0]=3 2993 B14R1.2172 COc1nccc(c1CNC(C)C)I 207a_100138425928_100010160771 [0,1,0,0,0,1|1,0,0]=3 2994 B14R1.2172 COc1nccc(c1SCC(C)C)C 62a_100000210624_100012353928 [0,1,0,0,0,1|1,0,0]=3 2995 B14R1.2172 COc1nccc(c1SCC(C)C)C 62a_100012353928_100000210760 [0,1,0,0,0,1|1,0,0]=3 2996 B14R1.2172 COc1nccc(c1SCC(C)C)N 62a_100000210624_100010243811 [0,1,0,0,0,1|1,0,0]=3 2997 B14R1.2172 COc1nccc(c1SCC(C)C)N 62a_100010243811_100000210760 [0,1,0,0,0,1|1,0,0]=3 2998 B14R1.2172 COc1nccc(c1SCC(C)O)C 62a_100011218427_100012353928 [0,1,0,0,0,1|2,0,0]=4 2999 B14R1.2172 COc1nccc(c1SCC(C)O)C 62a_100012353928_100011218427 [0,1,0,0,0,1|2,0,0]=4 3000 B14R1.2172 COc1nccc(c1SCC(C)O)N 62a_100010243811_100011218427 [0,1,0,0,0,1|2,0,0]=4 3001 B14R1.2172 COc1nccc(c1SCC(C)O)N 62a_100011218427_100010243811 [0,1,0,0,0,1|2,0,0]=4 3002 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)C 62a_100009817552_100012353928 [0,1,0,0,0,1|2,0,0]=4 3003 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)C 62a_100012353928_100009817552 [0,1,0,0,0,1|2,0,0]=4 3004 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)N 62a_100009817552_100010243811 [0,1,0,0,0,1|2,0,0]=4 3005 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)N 62a_100010243811_100009817552 [0,1,0,0,0,1|2,0,0]=4 3006 B14R1.2172 COc1ncnc(c1SCC(C)C)C 62a_100000210624_100010110394 [0,1,0,0,0,1|2,0,0]=4 3007 B14R1.2172 COc1ncnc(c1SCC(C)C)C 62a_100010110394_100000210760 [0,1,0,0,0,1|2,0,0]=4 3008 B14R1.3135 CC(C)C(C)Nc1nccnc1C#N 27a_100000211541_100000040484 [0,1,0,0,0,1|2,0,0]=4 3009 B14R1.3135 CCc1nccnc1NC(C)C(C)C 27a_100000211541_100011995844 [0,1,0,0,0,1|1,0,0]=3 3010 B14R1.3135 COc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000210004 [0,1,0,0,0,1|2,0,0]=4 3011 B14R1.3135 COc1ccccc1CC(=O)C(C)C 1458a_100000211604_100000210206 [0,1,0,0,0,1|2,0,0]=4 3012 B14R1.3135 COc1ccccc1CN(C)C(C)C 2230a_100000184376_100000210206 [0,1,0,0,0,1|2,0,0]=4 3013 B14R1.3135 COc1ccccc1CN(C)C(C)C 2230a_100000195791_200000210301 [0,1,0,0,0,1|2,0,0]=4 3014 B14R1.3135 COc1ccccc1CN(C)C(C)C 269982a_100000184376_100000210206 [0,1,0,0,0,1|2,0,0]=4 3015 B14R1.3135 COc1ccccc1CN(C)C(C)C 269982a_100000195791_200000210301 [0,1,0,0,0,1|2,0,0]=4 3016 B14R1.3135 COc1ccccc1CN(C)C(C)C 269982a_200000211004_100000210004 [0,1,0,0,0,1|2,0,0]=4 3017 B14R1.3135 COc1ccccc1CN(C)C(C)C 270004a_200000211004_100000169842 [0,1,0,0,0,1|2,0,0]=4 3018 B14R1.3135 COc1ccccc1CN([13CH3])C(C)C 2230a_100000195791_200025704644 [0,1,0,0,0,1|2,0,0]=4 3019 B14R1.3135 COc1ccccc1CN([13CH3])C(C)C 269982a_100000195791_200025704644 [0,1,0,0,0,1|2,0,0]=4 3020 B14R1.3135 COc1cccnc1CN(C)C(C)C 270004a_200000211004_100011912573 [0,1,0,0,0,1|1,0,0]=3 3021 B14R1.3135 COc1cncnc1NC(C)C(C)C 27a_100000211541_100012001275 [0,1,0,0,0,1|2,0,0]=4 3022 B14R1.3135 COc1ncccc1CC(=O)C(C)C 1458a_100000210198_100020631285 [0,1,0,0,0,1|1,0,0]=3 3023 B14R1.3135 COc1ncccc1CC(=O)C(C)F 1458a_100000062450_100020631285 [0,1,0,0,0,1|2,0,0]=4 3024 B14R1.3135 COc1ncccc1CC(=O)[C@@H](C)O 1458a_100000717761_100020631285 [0,1,0,0,0,1|2,0,0]=4 3025 B14R1.3135 COc1ncccc1CC(=O)[C@H](C)O 1458a_217856618621_100020631285 [0,1,0,0,0,1|2,0,0]=4 3026 B14R1.3135 COc1ncccc1CN(C)C(C)C 270004a_200000211004_100011290804 [0,1,0,0,0,1|1,0,0]=3 3027 B14R1.3135 COc1nccnc1NC(C)C(C)C 27a_100000211541_100009858322 [0,1,0,0,0,1|0,0,0]=2 3028 B14R1.3135 COc1nccnc1SC(C)C(=O)C 62a_100009814033_100000749998 [0,1,0,0,0,1|1,0,1]=4 3029 B14R1.3135 COc1nccnc1SC(C)C(=O)C 62a_100009858322_100009814033 [0,1,0,0,0,1|1,0,1]=4 3030 B14R1.4522 CC(=O)c1cccnc1NCC(C)C 27a_100000210953_100009816689 [0,1,0,0,0,1|2,0,0]=4 3031 B14R1.4522 CC(=O)c1cccnc1SCC(C)C 62a_100000210624_100000753718 [0,1,0,0,0,1|2,0,0]=4 3032 B14R1.4522 CC(=O)c1cccnc1SCC(C)C 62a_100000753718_100000210760 [0,1,0,0,0,1|2,0,0]=4 3033 B14R1.4522 CC(=O)c1ncccc1OCC(C)C 34a_100000087166_100000210624 [0,1,0,0,0,1|2,0,0]=4 3034 B14R1.4522 CC(=O)c1ncccc1OCC(C)C 7a_100000087166_100000210760 [0,1,0,0,0,1|2,0,0]=4 3035 B14R1.4522 CC(=O)c1ncccc1SCC(C)C 62a_100000210624_100012348690 [0,1,0,0,0,1|2,0,0]=4 3036 B14R1.4522 CC(=O)c1ncccc1SCC(C)C 62a_100012348690_100000210760 [0,1,0,0,0,1|2,0,0]=4 3037 B14R1.4522 CC(=O)c1nccnc1C=CC(C)C 271570a_100016257149_100000099859 [0,1,0,0,0,1|1,0,1]=4 3038 B14R1.4522 CC(=O)c1nccnc1NCC(C)C 27a_100000210953_100000099859 [0,1,0,0,0,1|1,0,0]=3 3039 B14R1.4522 CC(=O)c1nccnc1NCC(C)O 27a_100000210904_100000099859 [0,1,0,0,0,1|2,0,0]=4 3040 B14R1.4522 CC(=O)c1nccnc1SCC(C)C 62a_100000099859_100000210760 [0,1,0,0,0,1|1,0,0]=3 3041 B14R1.4522 CC(=O)c1nccnc1SCC(C)C 62a_100000210624_100000099859 [0,1,0,0,0,1|1,0,0]=3 3042 B14R1.4522 CC(=O)c1nccnc1SCC(C)O 62a_100000099859_100011218427 [0,1,0,0,0,1|2,0,0]=4 3043 B14R1.4522 CC(=O)c1nccnc1SCC(C)O 62a_100011218427_100000099859 [0,1,0,0,0,1|2,0,0]=4 3044 B14R1.4522 CC(=O)c1nccnc1SC[C@@H](C)O 62a_100000099859_100009817552 [0,1,0,0,0,1|2,0,0]=4 3045 B14R1.4522 CC(=O)c1nccnc1SC[C@@H](C)O 62a_100009817552_100000099859 [0,1,0,0,0,1|2,0,0]=4 3046 B14R1.4522 CC(C)C=Cc1nccnc1N(C)C 271570a_100016257149_100000703087 [0,1,0,0,0,1|1,0,1]=4 3047 B14R1.4522 CC(C)CNc1nccnc1C(=O)N 27a_100000210953_100000094861 [0,1,0,0,0,1|2,0,0]=4 3048 B14R1.4522 CC(C)CNc1nccnc1N(C)C 27a_100000210953_100000703087 [0,1,0,0,0,1|1,0,0]=3 3049 B14R1.4522 CC(C)COc1cccnc1C(C)C 34a_100012183336_100000210624 [0,1,0,0,0,1|2,0,0]=4 3050 B14R1.4522 CC(C)COc1cccnc1C(C)C 7a_100012183336_100000210760 [0,1,0,0,0,1|2,0,0]=4 3051 B14R1.4522 CC(C)COc1nccnc1C(=O)N 34a_100011830332_100000210624 [0,1,0,0,0,1|2,0,0]=4 3052 B14R1.4522 CC(C)CSc1cccnc1C(C)N 62a_100000210624_100159271932 [0,1,0,0,0,1|2,0,0]=4 3053 B14R1.4522 CC(C)CSc1cccnc1C(C)N 62a_100159271932_100000210760 [0,1,0,0,0,1|2,0,0]=4 3054 B14R1.4522 CC(C)CSc1cccnc1N(C)C 62a_100000210624_100011465059 [0,1,0,0,0,1|2,0,0]=4 3055 B14R1.4522 CC(C)CSc1cccnc1N(C)C 62a_100011465059_100000210760 [0,1,0,0,0,1|2,0,0]=4 3056 B14R1.4522 CC(C)CSc1cccnc1[C@H](C)O 62a_100000210624_100013325542 [0,1,0,0,0,1|2,0,0]=4 3057 B14R1.4522 CC(C)CSc1cccnc1[C@H](C)O 62a_100013325542_100000210760 [0,1,0,0,0,1|2,0,0]=4 3058 B14R1.4522 CC(C)CSc1ncccc1C(C)C 62a_100000210624_200010382935 [0,1,0,0,0,1|2,0,0]=4 3059 B14R1.4522 CC(C)CSc1ncccc1C(C)C 62a_200010382935_100000210760 [0,1,0,0,0,1|2,0,0]=4 3060 B14R1.4522 CC(C)CSc1ncccc1C(C)O 62a_100000210624_100009865335 [0,1,0,0,0,1|2,0,0]=4 3061 B14R1.4522 CC(C)CSc1ncccc1C(C)O 62a_100009865335_100000210760 [0,1,0,0,0,1|2,0,0]=4 3062 B14R1.4522 CC(C)CSc1nccnc1C(=O)N 62a_100000094861_100000210760 [0,1,0,0,0,1|2,0,0]=4 3063 B14R1.4522 CC(C)CSc1nccnc1C(=O)N 62a_100000210624_100000094861 [0,1,0,0,0,1|2,0,0]=4 3064 B14R1.4522 CC(C)CSc1nccnc1N(C)C 62a_100000210624_100000703087 [0,1,0,0,0,1|1,0,0]=3 3065 B14R1.4522 CC(C)NCc1cccnc1N(C)C 207a_100138425928_100000731630 [0,1,0,0,0,1|2,0,0]=4 3066 B14R1.4522 CC(C)NCc1ncccc1C(C)C 2230a_100138425928_200134614246 [0,1,0,0,0,1|2,0,0]=4 3067 B14R1.4522 CC(C)NCc1ncccc1C(C)C 34a_100138425928_200134614246 [0,1,0,0,0,1|2,0,0]=4 3068 B14R1.4522 CC(C)OCc1ncccc1C(C)C 34a_100000212225_200134614246 [0,1,0,0,0,1|2,0,0]=4 3069 B14R1.4522 CC(C)OCc1ncccc1C(C)C 34a_200009878718_100000210206 [0,1,0,0,0,1|2,0,0]=4 3070 B14R1.4522 CC(C)SCc1ncccc1C(C)C 62a_100000210206_200134614246 [0,1,0,0,0,1|2,0,0]=4 3071 B14R1.4522 CC(C)SCc1ncccc1C(C)C 62a_200134614246_100000210206 [0,1,0,0,0,1|2,0,0]=4 3072 B14R1.4522 CC(O)CNc1nccnc1N(C)C 27a_100000210904_100000703087 [0,1,0,0,0,1|2,0,0]=4 3073 B14R1.4522 CC(O)CSc1nccnc1N(C)C 62a_100011218427_100000703087 [0,1,0,0,0,1|2,0,0]=4 3074 B14R1.4522 C[C@@H](O)CSc1nccnc1N(C)C 62a_100009817552_100000703087 [0,1,0,0,0,1|2,0,0]=4 3075 B14R1.101 COc1cc(cnc1NC(C)C)C#N 27a_100138425928_200009864118 [0,2,0,0,0,0|2,0,0]=4 3076 B14R1.101 COc1cc(cnc1SC(C)C)C#N 62a_100000210206_200009864118 [0,2,0,0,0,0|2,0,0]=4 3077 B14R1.101 COc1ccc(c(n1)OC)CN(C)C 270004a_100102631434_100011934679 [0,2,0,0,0,0|2,0,0]=4 3078 B14R1.101 COc1ccc(c(n1)OC)OC(C)C 34a_100000085135_100000210206 [0,2,0,0,0,0|2,0,0]=4 3079 B14R1.101 COc1ccc(c(n1)OC)SC(C)C 62a_100000210206_100009816055 [0,2,0,0,0,0|2,0,0]=4 3080 B14R1.101 COc1ccc(c(n1)OC)SC(C)C 62a_100009816055_100000210206 [0,2,0,0,0,0|2,0,0]=4 3081 B14R1.1592 COc1cc(cnc1C(C)N(C)C)Br 270004a_100102631434_100010137934 [0,2,0,0,0,0|2,0,0]=4 3082 B14R1.1592 COc1nc(cnc1C(=C(C)C)C)Br 271570a_200000049429_100010214903 [0,2,0,0,0,0|0,0,2]=4 3083 B14R1.1592 COc1nc(cnc1C(=C(C)C)C)N 271570a_200000049429_100010128448 [0,2,0,0,0,0|0,0,2]=4 3084 B14R1.1601 COc1cc(cnc1OC(C)(C)C)Cl 34a_200009845368_100000210625 [0,2,0,0,0,0|2,0,0]=4 3085 B14R1.1601 COc1cc(cnc1SC(C)(C)C)C 62a_100000211941_200000118316 [0,2,0,0,0,0|2,0,0]=4 3086 B14R1.1601 COc1cc(cnc1SC(C)(C)C)F 62a_100000211941_100009867738 [0,2,0,0,0,0|2,0,0]=4 3087 B14R1.1601 COc1cc(cnc1SC(C)(C)C)F 62a_100010136273_100000211941 [0,2,0,0,0,0|2,0,0]=4 3088 B14R1.1601 COc1cc(cnc1SC(C)(C)C)N 62a_100000211941_100000097218 [0,2,0,0,0,0|2,0,0]=4 3089 B14R1.1601 COc1cc(cnc1SC(C)(C)C)N 62a_200010291755_100000211941 [0,2,0,0,0,0|2,0,0]=4 3090 B14R1.1601 COc1nc(ccc1OC(C)(C)C)Br 34a_100010893133_100000210625 [0,2,0,0,0,0|2,0,0]=4 3091 B14R1.1601 COc1nc(ccc1SC(C)(C)C)C 62a_100000211941_100010138632 [0,2,0,0,0,0|2,0,0]=4 3092 B14R1.1601 COc1nc(ccc1SC(C)(C)C)C 62a_100010138632_100000211941 [0,2,0,0,0,0|2,0,0]=4 3093 B14R1.1601 COc1nc(ccc1SC(C)(C)C)N 62a_100000211941_100010187630 [0,2,0,0,0,0|2,0,0]=4 3094 B14R1.1601 COc1nc(ccc1SC(C)(C)C)N 62a_100010187630_100000211941 [0,2,0,0,0,0|2,0,0]=4 3095 B14R1.1601 COc1nc(cnc1SC(C)(C)C)Br 62a_100000211941_100010214903 [0,2,0,0,0,0|1,0,0]=3 3096 B14R1.1601 COc1nc(cnc1SC(C)(C)C)Br 62a_100010214903_100000211941 [0,2,0,0,0,0|1,0,0]=3 3097 B14R1.1601 COc1nc(cnc1SC(C)(C)C)N 62a_100000211941_100010128448 [0,2,0,0,0,0|1,0,0]=3 3098 B14R1.1601 COc1nc(cnc1SC(C)(C)C)N 62a_100010128448_100000211941 [0,2,0,0,0,0|1,0,0]=3 3099 B14R1.3417 C#CC(C)Sc1ncc(nc1OC)Br 62a_200000035995_100010214903 [0,2,0,0,0,0|1,0,1]=4 3100 B14R1.3417 C#CC(C)Sc1ncc(nc1OC)N 62a_200000035995_100010128448 [0,2,0,0,0,0|1,0,1]=4 3101 B14R1.3417 C=CC(C)Sc1ncc(nc1OC)Br 62a_100011215867_100010214903 [0,2,0,0,0,0|1,0,1]=4 3102 B14R1.3417 C=CC(C)Sc1ncc(nc1OC)N 62a_100011215867_100010128448 [0,2,0,0,0,0|1,0,1]=4 3103 B14R1.3417 CCC(C)Oc1ccc(nc1OC)Br 34a_100010893133_100011215416 [0,2,0,0,0,0|2,0,0]=4 3104 B14R1.3417 CCC(C)Oc1ncc(cc1OC)Cl 34a_200009845368_100011215416 [0,2,0,0,0,0|2,0,0]=4 3105 B14R1.3417 CCC(C)Sc1ccc(nc1OC)C 62a_100000758301_100010138632 [0,2,0,0,0,0|2,0,0]=4 3106 B14R1.3417 CCC(C)Sc1ccc(nc1OC)C 62a_100010138632_100000758301 [0,2,0,0,0,0|2,0,0]=4 3107 B14R1.3417 CCC(C)Sc1ccc(nc1OC)N 62a_100000758301_100010187630 [0,2,0,0,0,0|2,0,0]=4 3108 B14R1.3417 CCC(C)Sc1ccc(nc1OC)N 62a_100010187630_100000758301 [0,2,0,0,0,0|2,0,0]=4 3109 B14R1.3417 CCC(C)Sc1ncc(cc1OC)C 62a_100000758301_200000118316 [0,2,0,0,0,0|2,0,0]=4 3110 B14R1.3417 CCC(C)Sc1ncc(cc1OC)F 62a_100000758301_100009867738 [0,2,0,0,0,0|2,0,0]=4 3111 B14R1.3417 CCC(C)Sc1ncc(cc1OC)F 62a_100010136273_100000758301 [0,2,0,0,0,0|2,0,0]=4 3112 B14R1.3417 CCC(C)Sc1ncc(cc1OC)N 62a_100000758301_100000097218 [0,2,0,0,0,0|2,0,0]=4 3113 B14R1.3417 CCC(C)Sc1ncc(cc1OC)N 62a_200010291755_100000758301 [0,2,0,0,0,0|2,0,0]=4 3114 B14R1.3417 CCC(C)Sc1ncc(nc1OC)Br 62a_100000758301_100010214903 [0,2,0,0,0,0|1,0,0]=3 3115 B14R1.3417 CCC(C)Sc1ncc(nc1OC)Br 62a_100010214903_100000758301 [0,2,0,0,0,0|1,0,0]=3 3116 B14R1.3417 CCC(C)Sc1ncc(nc1OC)N 62a_100000758301_100010128448 [0,2,0,0,0,0|1,0,0]=3 3117 B14R1.3417 CCC(C)Sc1ncc(nc1OC)N 62a_100010128448_100000758301 [0,2,0,0,0,0|1,0,0]=3 3118 B14R1.3417 CCN(C)Cc1ccc(nc1OC)Br 2230a_100000225621_100016029037 [0,2,0,0,0,0|2,0,0]=4 3119 B14R1.3417 CCN(C)Cc1ccc(nc1OC)Br 269982a_100000225621_100016029037 [0,2,0,0,0,0|2,0,0]=4 3120 B14R1.3417 COc1cc(cnc1OC(C)CO)Cl 34a_200009845368_100012180447 [0,2,0,0,0,0|2,0,0]=4 3121 B14R1.3417 COc1cc(cnc1SC(C)CO)C 62a_100012180447_200000118316 [0,2,0,0,0,0|2,0,0]=4 3122 B14R1.3417 COc1cc(cnc1SC(C)CO)F 62a_100012180447_100009867738 [0,2,0,0,0,0|2,0,0]=4 3123 B14R1.3417 COc1cc(cnc1SC(C)CO)N 62a_100012180447_100000097218 [0,2,0,0,0,0|2,0,0]=4 3124 B14R1.3417 COc1cc(cnc1SC(C)OC)C 62a_100009879195_200000118316 [0,2,0,0,0,0|2,0,0]=4 3125 B14R1.3417 COc1cc(cnc1SC(C)OC)F 62a_100009879195_100009867738 [0,2,0,0,0,0|2,0,0]=4 3126 B14R1.3417 COc1cc(cnc1SC(C)OC)F 62a_100010136273_100009879195 [0,2,0,0,0,0|2,0,0]=4 3127 B14R1.3417 COc1cc(cnc1SC(C)OC)N 62a_100009879195_100000097218 [0,2,0,0,0,0|2,0,0]=4 3128 B14R1.3417 COc1cc(cnc1SC(C)OC)N 62a_200010291755_100009879195 [0,2,0,0,0,0|2,0,0]=4 3129 B14R1.3417 COc1cc(cnc1S[C@H](C)CO)C 62a_100016084084_200000118316 [0,2,0,0,0,0|2,0,0]=4 3130 B14R1.3417 COc1cc(cnc1S[C@H](C)CO)F 62a_100010136273_100016084084 [0,2,0,0,0,0|2,0,0]=4 3131 B14R1.3417 COc1cc(cnc1S[C@H](C)CO)F 62a_100016084084_100009867738 [0,2,0,0,0,0|2,0,0]=4 3132 B14R1.3417 COc1cc(cnc1S[C@H](C)CO)N 62a_100016084084_100000097218 [0,2,0,0,0,0|2,0,0]=4 3133 B14R1.3417 COc1cc(cnc1S[C@H](C)CO)N 62a_200010291755_100016084084 [0,2,0,0,0,0|2,0,0]=4 3134 B14R1.3417 COc1nc(ccc1OC(C)CO)Br 34a_100010893133_100012180447 [0,2,0,0,0,0|2,0,0]=4 3135 B14R1.3417 COc1nc(ccc1SC(C)CO)C 62a_100012180447_100010138632 [0,2,0,0,0,0|2,0,0]=4 3136 B14R1.3417 COc1nc(ccc1SC(C)CO)N 62a_100012180447_100010187630 [0,2,0,0,0,0|2,0,0]=4 3137 B14R1.3417 COc1nc(ccc1SC(C)OC)C 62a_100009879195_100010138632 [0,2,0,0,0,0|2,0,0]=4 3138 B14R1.3417 COc1nc(ccc1SC(C)OC)C 62a_100010138632_100009879195 [0,2,0,0,0,0|2,0,0]=4 3139 B14R1.3417 COc1nc(ccc1SC(C)OC)N 62a_100009879195_100010187630 [0,2,0,0,0,0|2,0,0]=4 3140 B14R1.3417 COc1nc(ccc1SC(C)OC)N 62a_100010187630_100009879195 [0,2,0,0,0,0|2,0,0]=4 3141 B14R1.3417 COc1nc(ccc1S[C@H](C)CO)C 62a_100010138632_100016084084 [0,2,0,0,0,0|2,0,0]=4 3142 B14R1.3417 COc1nc(ccc1S[C@H](C)CO)C 62a_100016084084_100010138632 [0,2,0,0,0,0|2,0,0]=4 3143 B14R1.3417 COc1nc(ccc1S[C@H](C)CO)N 62a_100010187630_100016084084 [0,2,0,0,0,0|2,0,0]=4 3144 B14R1.3417 COc1nc(ccc1S[C@H](C)CO)N 62a_100016084084_100010187630 [0,2,0,0,0,0|2,0,0]=4 3145 B14R1.3417 COc1nc(cnc1SC(C)C#N)Br 62a_100000703298_100010214903 [0,2,0,0,0,0|1,0,1]=4 3146 B14R1.3417 COc1nc(cnc1SC(C)C#N)Br 62a_100010214903_100000703298 [0,2,0,0,0,0|1,0,1]=4 3147 B14R1.3417 COc1nc(cnc1SC(C)C#N)N 62a_100000703298_100010128448 [0,2,0,0,0,0|1,0,1]=4 3148 B14R1.3417 COc1nc(cnc1SC(C)C#N)N 62a_100010128448_100000703298 [0,2,0,0,0,0|1,0,1]=4 3149 B14R1.3417 COc1nc(cnc1SC(C)CO)Br 62a_100012180447_100010214903 [0,2,0,0,0,0|1,0,0]=3 3150 B14R1.3417 COc1nc(cnc1SC(C)CO)N 62a_100012180447_100010128448 [0,2,0,0,0,0|1,0,0]=3 3151 B14R1.3417 COc1nc(cnc1SC(C)OC)Br 62a_100009879195_100010214903 [0,2,0,0,0,0|1,0,0]=3 3152 B14R1.3417 COc1nc(cnc1SC(C)OC)Br 62a_100010214903_100009879195 [0,2,0,0,0,0|1,0,0]=3 3153 B14R1.3417 COc1nc(cnc1SC(C)OC)N 62a_100009879195_100010128448 [0,2,0,0,0,0|1,0,0]=3 3154 B14R1.3417 COc1nc(cnc1SC(C)OC)N 62a_100010128448_100009879195 [0,2,0,0,0,0|1,0,0]=3 3155 B14R1.3417 COc1nc(cnc1S[C@H](C)CO)Br 62a_100010214903_100016084084 [0,2,0,0,0,0|1,0,0]=3 3156 B14R1.3417 COc1nc(cnc1S[C@H](C)CO)Br 62a_100016084084_100010214903 [0,2,0,0,0,0|1,0,0]=3 3157 B14R1.3417 COc1nc(cnc1S[C@H](C)CO)N 62a_100010128448_100016084084 [0,2,0,0,0,0|1,0,0]=3 3158 B14R1.3417 COc1nc(cnc1S[C@H](C)CO)N 62a_100016084084_100010128448 [0,2,0,0,0,0|1,0,0]=3 3159 B14R1.95 CCC(C)N(C)c1nccnc1OC 27a_100000741768_100009858322 [0,2,0,0,0,0|1,0,0]=3 3160 B14R1.95 CCc1nccnc1N(C)C(C)CC 27a_100000741768_100011995844 [0,2,0,0,0,0|2,0,0]=4 3161 B14R1.95 CCc1nccnc1N(C)C(C)CO 27a_100000693034_100011995844 [0,2,0,0,0,0|2,0,0]=4 3162 B14R1.95 COc1nccnc1N(C)C(C)CO 27a_100000693034_100009858322 [0,2,0,0,0,0|1,0,0]=3 3163 B14R1.429 CC(=O)c1nccnc1N(C)C(C)C 27a_200000211004_100000099859 [0,2,0,0,0,0|2,0,0]=4 3164 B14R1.429 CC(C)N(C)c1nccnc1N(C)C 27a_200000211004_100000703087 [0,2,0,0,0,0|2,0,0]=4 3165 B14R1.481 CCOc1nccnc1C(=C(C)C)C 271570a_200000049429_200010128176 [0,2,0,0,0,0|0,0,2]=4 3166 B14R1.481 CCOc1nccnc1N(C)C(C)C 27a_200000211004_200010128176 [0,2,0,0,0,0|1,0,0]=3 3167 B14R1.841 CCN(c1nccnc1OC)C(C)C 27a_100000223864_100009858322 [0,2,0,0,0,0|1,0,0]=3 3168 B14R1.841 CCc1nccnc1N(CC)C(C)C 27a_100000223864_100011995844 [0,2,0,0,0,0|2,0,0]=4 3169 B14R1.483 C#CC(C)Nc1nccnc1OCC 27a_100000707721_200010128176 [0,2,0,0,0,0|1,0,1]=4 3170 B14R1.483 C#CC(C)Sc1nccnc1OCC 62a_200000035995_200010128176 [0,2,0,0,0,0|1,0,1]=4 3171 B14R1.483 C=CC(C)Sc1nccnc1OCC 62a_100011215867_200010128176 [0,2,0,0,0,0|1,0,1]=4 3172 B14R1.483 CCOc1ccccc1CC(C)NC 270004a_106832991635_200000075427 [0,2,0,0,0,0|2,0,0]=4 3173 B14R1.483 CCOc1cccnc1SC(C)CC 62a_100000758301_100011597540 [0,2,0,0,0,0|2,0,0]=4 3174 B14R1.483 CCOc1cccnc1SC(C)CC 62a_100011597540_100000758301 [0,2,0,0,0,0|2,0,0]=4 3175 B14R1.483 CCOc1cccnc1SC(C)CO 62a_100012180447_100011597540 [0,2,0,0,0,0|2,0,0]=4 3176 B14R1.483 CCOc1cccnc1SC(C)OC 62a_100009879195_100011597540 [0,2,0,0,0,0|2,0,0]=4 3177 B14R1.483 CCOc1cccnc1SC(C)OC 62a_100011597540_100009879195 [0,2,0,0,0,0|2,0,0]=4 3178 B14R1.483 CCOc1cccnc1S[C@H](C)CO 62a_100011597540_100016084084 [0,2,0,0,0,0|2,0,0]=4 3179 B14R1.483 CCOc1cccnc1S[C@H](C)CO 62a_100016084084_100011597540 [0,2,0,0,0,0|2,0,0]=4 3180 B14R1.483 CCOc1ncccc1OC(C)CC 34a_100011998697_100011215416 [0,2,0,0,0,0|2,0,0]=4 3181 B14R1.483 CCOc1ncccc1OC(C)CO 34a_100011998697_100012180447 [0,2,0,0,0,0|2,0,0]=4 3182 B14R1.483 CCOc1ncccc1SC(C)CC 62a_100000758301_100011465154 [0,2,0,0,0,0|2,0,0]=4 3183 B14R1.483 CCOc1ncccc1SC(C)CC 62a_100011465154_100000758301 [0,2,0,0,0,0|2,0,0]=4 3184 B14R1.483 CCOc1ncccc1SC(C)CO 62a_100012180447_100011465154 [0,2,0,0,0,0|2,0,0]=4 3185 B14R1.483 CCOc1ncccc1SC(C)OC 62a_100009879195_100011465154 [0,2,0,0,0,0|2,0,0]=4 3186 B14R1.483 CCOc1ncccc1SC(C)OC 62a_100011465154_100009879195 [0,2,0,0,0,0|2,0,0]=4 3187 B14R1.483 CCOc1ncccc1S[C@H](C)CO 62a_100011465154_100016084084 [0,2,0,0,0,0|2,0,0]=4 3188 B14R1.483 CCOc1ncccc1S[C@H](C)CO 62a_100016084084_100011465154 [0,2,0,0,0,0|2,0,0]=4 3189 B14R1.483 CCOc1nccnc1N[C@H](C)CF 27a_100102880703_200010128176 [0,2,0,0,0,0|1,0,0]=3 3190 B14R1.483 CCOc1nccnc1N[C@H](C)CO 27a_100000737577_200010128176 [0,2,0,0,0,0|1,0,0]=3 3191 B14R1.483 CCOc1nccnc1SC(C)C#N 62a_100000703298_200010128176 [0,2,0,0,0,0|1,0,1]=4 3192 B14R1.483 CCOc1nccnc1SC(C)C#N 62a_200010128176_100000703298 [0,2,0,0,0,0|1,0,1]=4 3193 B14R1.483 CCOc1nccnc1SC(C)CC 62a_100000758301_200010128176 [0,2,0,0,0,0|1,0,0]=3 3194 B14R1.483 CCOc1nccnc1SC(C)CC 62a_200010128176_100000758301 [0,2,0,0,0,0|1,0,0]=3 3195 B14R1.483 CCOc1nccnc1SC(C)CO 62a_100012180447_200010128176 [0,2,0,0,0,0|1,0,0]=3 3196 B14R1.483 CCOc1nccnc1SC(C)OC 62a_100009879195_200010128176 [0,2,0,0,0,0|1,0,0]=3 3197 B14R1.483 CCOc1nccnc1SC(C)OC 62a_200010128176_100009879195 [0,2,0,0,0,0|1,0,0]=3 3198 B14R1.483 CCOc1nccnc1S[C@H](C)CO 62a_100016084084_200010128176 [0,2,0,0,0,0|1,0,0]=3 3199 B14R1.483 CCOc1nccnc1S[C@H](C)CO 62a_200010128176_100016084084 [0,2,0,0,0,0|1,0,0]=3 3200 B14R1.965 C#CCN(C)Cc1cccnc1OC 2230a_100000225692_100020631285 [0,2,0,0,0,0|2,0,0]=4 3201 B14R1.965 C#CCN(C)Cc1cccnc1OC 270004a_100000225692_100011290804 [0,2,0,0,0,0|2,0,0]=4 3202 B14R1.965 C#CCN(C)Cc1cccnc1OC 34a_100000225692_100020631285 [0,2,0,0,0,0|2,0,0]=4 3203 B14R1.965 C#CCN(C)Cc1ncccc1OC 270004a_100000225692_100011912573 [0,2,0,0,0,0|2,0,0]=4 3204 B14R1.965 C=CCN(C)Cc1cccnc1OC 2230a_100000225617_100020631285 [0,2,0,0,0,0|2,0,0]=4 3205 B14R1.965 C=CCN(C)Cc1cccnc1OC 270004a_100000225617_100011290804 [0,2,0,0,0,0|2,0,0]=4 3206 B14R1.965 C=CCN(C)Cc1ncccc1OC 270004a_100000225617_100011912573 [0,2,0,0,0,0|2,0,0]=4 3207 B14R1.965 CCCC(C)Nc1nccnc1CC 27a_100000741246_100011995844 [0,2,0,0,0,0|2,0,0]=4 3208 B14R1.965 CCCC(C)Nc1nccnc1OC 27a_100000741246_100009858322 [0,2,0,0,0,0|1,0,0]=3 3209 B14R1.965 CCCC(C)Oc1cccnc1OC 34a_100000698397_100000766640 [0,2,0,0,0,0|2,0,0]=4 3210 B14R1.965 CCCC(C)Oc1cccnc1OC 7a_100000698397_100000766640 [0,2,0,0,0,0|2,0,0]=4 3211 B14R1.965 CCCC(C)Oc1ncccc1OC 34a_100025773188_100000766640 [0,2,0,0,0,0|2,0,0]=4 3212 B14R1.965 CCCC(C)Sc1cccnc1OC 62a_100000047025_100000766640 [0,2,0,0,0,0|2,0,0]=4 3213 B14R1.965 CCCC(C)Sc1cccnc1OC 62a_100000766640_100000047025 [0,2,0,0,0,0|2,0,0]=4 3214 B14R1.965 CCCC(C)Sc1ncccc1OC 62a_100000766640_100000690851 [0,2,0,0,0,0|2,0,0]=4 3215 B14R1.965 CCCC(C)Sc1ncccc1OC 62a_100000767102_100000766640 [0,2,0,0,0,0|2,0,0]=4 3216 B14R1.965 CCCC(C)Sc1nccnc1CC 62a_100000766640_100011995844 [0,2,0,0,0,0|2,0,0]=4 3217 B14R1.965 CCCC(C)Sc1nccnc1CC 62a_100011995844_100000766640 [0,2,0,0,0,0|2,0,0]=4 3218 B14R1.965 CCCC(C)Sc1nccnc1NC 62a_100000766640_100011529439 [0,2,0,0,0,0|2,0,0]=4 3219 B14R1.965 CCCC(C)Sc1nccnc1OC 62a_100000766640_100000749998 [0,2,0,0,0,0|1,0,0]=3 3220 B14R1.965 CCCC(C)Sc1nccnc1OC 62a_100009858322_100000766640 [0,2,0,0,0,0|1,0,0]=3 3221 B14R1.965 CCCN(C)Cc1cccnc1OC 2230a_100000747261_100020631285 [0,2,0,0,0,0|2,0,0]=4 3222 B14R1.965 CCCN(C)Cc1cccnc1OC 270004a_100000747261_100011290804 [0,2,0,0,0,0|2,0,0]=4 3223 B14R1.965 CCCN(C)Cc1ncccc1OC 270004a_100000747261_100011912573 [0,2,0,0,0,0|2,0,0]=4 3224 B14R1.965 CCNC(C)Cc1ccccc1OC 270004a_100015525214_100000211486 [0,2,0,0,0,0|2,0,0]=4 3225 B14R1.965 CCOC(C)Cc1ccccc1OC 7a_100000691916_100000210202 [0,2,0,0,0,0|2,0,0]=4 3226 B14R1.965 CCc1nccnc1N[C@@H](C)CC#N 27a_100016994482_100011995844 [0,2,0,0,0,0|2,0,0]=4 3227 B14R1.965 CCc1nccnc1N[C@H](C)CCO 27a_100000706166_100011995844 [0,2,0,0,0,0|2,0,0]=4 3228 B14R1.965 CCc1nccnc1N[C@H](C)COC 27a_100000764878_100011995844 [0,2,0,0,0,0|2,0,0]=4 3229 B14R1.965 CCc1nccnc1SC(C)CC#N 62a_100009813641_100011995844 [0,2,0,0,0,0|2,0,0]=4 3230 B14R1.965 CCc1nccnc1SC(C)CC#N 62a_100011995844_100009813641 [0,2,0,0,0,0|2,0,0]=4 3231 B14R1.965 CCc1nccnc1SC(C)CCO 62a_100009893172_100011995844 [0,2,0,0,0,0|2,0,0]=4 3232 B14R1.965 CCc1nccnc1SC(C)CCO 62a_100011995844_100009893172 [0,2,0,0,0,0|2,0,0]=4 3233 B14R1.965 CCc1nccnc1SC(C)COC 62a_100000765312_100011995844 [0,2,0,0,0,0|2,0,0]=4 3234 B14R1.965 CCc1nccnc1SC(C)COC 62a_100011995844_100000765312 [0,2,0,0,0,0|2,0,0]=4 3235 B14R1.965 CNc1nccnc1SC(C)CC#N 62a_100009813641_100011529439 [0,2,0,0,0,0|2,0,0]=4 3236 B14R1.965 CNc1nccnc1SC(C)CCO 62a_100009893172_100011529439 [0,2,0,0,0,0|2,0,0]=4 3237 B14R1.965 CNc1nccnc1SC(C)COC 62a_100000765312_100011529439 [0,2,0,0,0,0|2,0,0]=4 3238 B14R1.965 COCC(C)Oc1cccnc1OC 34a_100000698397_100000765312 [0,2,0,0,0,0|2,0,0]=4 3239 B14R1.965 COCC(C)Oc1cccnc1OC 7a_100000698397_100000765312 [0,2,0,0,0,0|2,0,0]=4 3240 B14R1.965 COCC(C)Oc1ncccc1OC 34a_100025773188_100000765312 [0,2,0,0,0,0|2,0,0]=4 3241 B14R1.965 COCC(C)Sc1cccnc1OC 62a_100000047025_100000765312 [0,2,0,0,0,0|2,0,0]=4 3242 B14R1.965 COCC(C)Sc1cccnc1OC 62a_100000765312_100000047025 [0,2,0,0,0,0|2,0,0]=4 3243 B14R1.965 COCC(C)Sc1ncccc1OC 62a_100000765312_100000690851 [0,2,0,0,0,0|2,0,0]=4 3244 B14R1.965 COCC(C)Sc1ncccc1OC 62a_100000767102_100000765312 [0,2,0,0,0,0|2,0,0]=4 3245 B14R1.965 COCC(C)Sc1nccnc1OC 62a_100000765312_100000749998 [0,2,0,0,0,0|1,0,0]=3 3246 B14R1.965 COCC(C)Sc1nccnc1OC 62a_100009858322_100000765312 [0,2,0,0,0,0|1,0,0]=3 3247 B14R1.965 COC[C@@H](C)Nc1nccnc1OC 27a_100000764878_100009858322 [0,2,0,0,0,0|1,0,0]=3 3248 B14R1.965 COc1ccccc1CC(C)OCF 7a_100000691916_100015361967 [0,2,0,0,0,0|2,0,0]=4 3249 B14R1.965 COc1cccnc1CN(C)CCO 270004a_100000210263_100011912573 [0,2,0,0,0,0|2,0,0]=4 3250 B14R1.965 COc1cccnc1OC(C)CCO 34a_100025773188_100009893172 [0,2,0,0,0,0|2,0,0]=4 3251 B14R1.965 COc1cccnc1SC(C)CC#N 62a_100000767102_100009813641 [0,2,0,0,0,0|2,0,0]=4 3252 B14R1.965 COc1cccnc1SC(C)CC#N 62a_100009813641_100000690851 [0,2,0,0,0,0|2,0,0]=4 3253 B14R1.965 COc1cccnc1SC(C)CCO 62a_100000767102_100009893172 [0,2,0,0,0,0|2,0,0]=4 3254 B14R1.965 COc1cccnc1SC(C)CCO 62a_100009893172_100000690851 [0,2,0,0,0,0|2,0,0]=4 3255 B14R1.965 COc1ncccc1CN(C)CC#N 2230a_100000748184_100020631285 [0,2,0,0,0,0|2,0,0]=4 3256 B14R1.965 COc1ncccc1CN(C)CCO 2230a_100000210263_100020631285 [0,2,0,0,0,0|2,0,0]=4 3257 B14R1.965 COc1ncccc1CN(C)CCO 270004a_100000210263_100011290804 [0,2,0,0,0,0|2,0,0]=4 3258 B14R1.965 COc1ncccc1OC(C)CC#N 7a_100000698397_100009813641 [0,2,0,0,0,0|2,0,0]=4 3259 B14R1.965 COc1ncccc1OC(C)CCO 34a_100000698397_100009893172 [0,2,0,0,0,0|2,0,0]=4 3260 B14R1.965 COc1ncccc1OC(C)CCO 7a_100000698397_100009893172 [0,2,0,0,0,0|2,0,0]=4 3261 B14R1.965 COc1ncccc1SC(C)CC#N 62a_100000047025_100009813641 [0,2,0,0,0,0|2,0,0]=4 3262 B14R1.965 COc1ncccc1SC(C)CC#N 62a_100009813641_100000047025 [0,2,0,0,0,0|2,0,0]=4 3263 B14R1.965 COc1ncccc1SC(C)CCO 62a_100000047025_100009893172 [0,2,0,0,0,0|2,0,0]=4 3264 B14R1.965 COc1ncccc1SC(C)CCO 62a_100009893172_100000047025 [0,2,0,0,0,0|2,0,0]=4 3265 B14R1.965 COc1nccnc1N[C@@H](C)CC#N 27a_100016994482_100009858322 [0,2,0,0,0,0|1,0,0]=3 3266 B14R1.965 COc1nccnc1N[C@H](C)CCO 27a_100000706166_100009858322 [0,2,0,0,0,0|1,0,0]=3 3267 B14R1.965 COc1nccnc1SC(C)CC#N 62a_100009813641_100000749998 [0,2,0,0,0,0|1,0,0]=3 3268 B14R1.965 COc1nccnc1SC(C)CC#N 62a_100009858322_100009813641 [0,2,0,0,0,0|1,0,0]=3 3269 B14R1.965 COc1nccnc1SC(C)CCO 62a_100009858322_100009893172 [0,2,0,0,0,0|1,0,0]=3 3270 B14R1.965 COc1nccnc1SC(C)CCO 62a_100009893172_100000749998 [0,2,0,0,0,0|1,0,0]=3 3271 B14R1.2000 C#CC(C)(C)Oc1cccnc1OC 34a_100000698397_100000038118 [0,2,0,0,0,0|2,0,0]=4 3272 B14R1.2000 C#CC(C)(C)Oc1ncccc1OC 34a_100025773188_100000038118 [0,2,0,0,0,0|2,0,0]=4 3273 B14R1.2000 C#CC(C)(C)Sc1cccnc1OC 62a_100000038118_100000047025 [0,2,0,0,0,0|2,0,0]=4 3274 B14R1.2000 C#CC(C)(C)Sc1cccnc1OC 62a_100000047025_100000038118 [0,2,0,0,0,0|2,0,0]=4 3275 B14R1.2000 C#CC(C)(C)Sc1ncccc1OC 62a_100000038118_100000690851 [0,2,0,0,0,0|2,0,0]=4 3276 B14R1.2000 C#CC(C)(C)Sc1ncccc1OC 62a_100000767102_100000038118 [0,2,0,0,0,0|2,0,0]=4 3277 B14R1.2000 C#CC(C)(C)Sc1nccnc1CC 62a_100000038118_100011995844 [0,2,0,0,0,0|2,0,0]=4 3278 B14R1.2000 C#CC(C)(C)Sc1nccnc1CC 62a_100011995844_100000038118 [0,2,0,0,0,0|2,0,0]=4 3279 B14R1.2000 C#CC(C)(C)Sc1nccnc1NC 62a_100000038118_100011529439 [0,2,0,0,0,0|2,0,0]=4 3280 B14R1.2000 C#CC(C)(C)Sc1nccnc1OC 62a_100000038118_100000749998 [0,2,0,0,0,0|1,0,0]=3 3281 B14R1.2000 C#CC(C)(C)Sc1nccnc1OC 62a_100009858322_100000038118 [0,2,0,0,0,0|1,0,0]=3 3282 B14R1.2000 CCC(C)(C)Nc1nccnc1OC 27a_100000211385_100009858322 [0,2,0,0,0,0|1,0,0]=3 3283 B14R1.2000 CCC(C)(C)Oc1cccnc1OC 7a_100000698397_100000210677 [0,2,0,0,0,0|2,0,0]=4 3284 B14R1.2000 CCC(C)(C)Sc1cccnc1OC 62a_100000032637_100000047025 [0,2,0,0,0,0|2,0,0]=4 3285 B14R1.2000 CCC(C)(C)Sc1cccnc1OC 62a_100000047025_100000032637 [0,2,0,0,0,0|2,0,0]=4 3286 B14R1.2000 CCC(C)(C)Sc1ncccc1OC 62a_100000032637_100000690851 [0,2,0,0,0,0|2,0,0]=4 3287 B14R1.2000 CCC(C)(C)Sc1ncccc1OC 62a_100000767102_100000032637 [0,2,0,0,0,0|2,0,0]=4 3288 B14R1.2000 CCC(C)(C)Sc1nccnc1NC 62a_100000032637_100011529439 [0,2,0,0,0,0|2,0,0]=4 3289 B14R1.2000 CCC(C)(C)Sc1nccnc1OC 62a_100000032637_100000749998 [0,2,0,0,0,0|1,0,0]=3 3290 B14R1.2000 CCC(C)(C)Sc1nccnc1OC 62a_100009858322_100000032637 [0,2,0,0,0,0|1,0,0]=3 3291 B14R1.2000 CCc1nccnc1NC(C)(C)CC 27a_100000211385_100011995844 [0,2,0,0,0,0|2,0,0]=4 3292 B14R1.2000 CCc1nccnc1NC(C)(C)CO 27a_100000210608_100011995844 [0,2,0,0,0,0|2,0,0]=4 3293 B14R1.2000 CCc1nccnc1SC(C)(C)C#N 62a_100011162410_100011995844 [0,2,0,0,0,0|2,0,0]=4 3294 B14R1.2000 CCc1nccnc1SC(C)(C)C#N 62a_100011995844_100011162410 [0,2,0,0,0,0|2,0,0]=4 3295 B14R1.2000 CCc1nccnc1SC(C)(C)CC 62a_100000032637_100011995844 [0,2,0,0,0,0|2,0,0]=4 3296 B14R1.2000 CCc1nccnc1SC(C)(C)CC 62a_100011995844_100000032637 [0,2,0,0,0,0|2,0,0]=4 3297 B14R1.2000 CNc1nccnc1SC(C)(C)C#N 62a_100011162410_100011529439 [0,2,0,0,0,0|2,0,0]=4 3298 B14R1.2000 COc1cccnc1OC(C)(C)C#N 34a_100025773188_100011162410 [0,2,0,0,0,0|2,0,0]=4 3299 B14R1.2000 COc1cccnc1SC(C)(C)C#N 62a_100000767102_100011162410 [0,2,0,0,0,0|2,0,0]=4 3300 B14R1.2000 COc1cccnc1SC(C)(C)C#N 62a_100011162410_100000690851 [0,2,0,0,0,0|2,0,0]=4 3301 B14R1.2000 COc1ncccc1OC(C)(C)C#N 34a_100000698397_100011162410 [0,2,0,0,0,0|2,0,0]=4 3302 B14R1.2000 COc1ncccc1OC(C)(C)C#N 7a_100000698397_100011162410 [0,2,0,0,0,0|2,0,0]=4 3303 B14R1.2000 COc1ncccc1SC(C)(C)C#N 62a_100000047025_100011162410 [0,2,0,0,0,0|2,0,0]=4 3304 B14R1.2000 COc1ncccc1SC(C)(C)C#N 62a_100011162410_100000047025 [0,2,0,0,0,0|2,0,0]=4 3305 B14R1.2000 COc1nccnc1NC(C)(C)CO 27a_100000210608_100009858322 [0,2,0,0,0,0|1,0,0]=3 3306 B14R1.2000 COc1nccnc1SC(C)(C)C#N 62a_100009858322_100011162410 [0,2,0,0,0,0|1,0,0]=3 3307 B14R1.2000 COc1nccnc1SC(C)(C)C#N 62a_100011162410_100000749998 [0,2,0,0,0,0|1,0,0]=3 3308 B14R1.2000 COc1nccnc1SC(F)(F)CO 62a_100009858322_100011217949 [0,2,0,0,0,0|2,0,0]=4 3309 B14R1.2000 COc1nccnc1SC(F)(F)CO 62a_100011217949_100000749998 [0,2,0,0,0,0|2,0,0]=4 3310 B14R1.2178 CCC(C)Sc1c(ccnc1OC)C 62a_100000758301_100012353928 [0,2,0,0,0,0|2,0,0]=4 3311 B14R1.2178 CCC(C)Sc1c(ccnc1OC)C 62a_100012353928_100000758301 [0,2,0,0,0,0|2,0,0]=4 3312 B14R1.2178 CCC(C)Sc1c(ccnc1OC)N 62a_100000758301_100010243811 [0,2,0,0,0,0|2,0,0]=4 3313 B14R1.2178 CCC(C)Sc1c(ccnc1OC)N 62a_100010243811_100000758301 [0,2,0,0,0,0|2,0,0]=4 3314 B14R1.2178 COc1nccc(c1SC(C)CO)C 62a_100012180447_100012353928 [0,2,0,0,0,0|2,0,0]=4 3315 B14R1.2178 COc1nccc(c1SC(C)CO)N 62a_100012180447_100010243811 [0,2,0,0,0,0|2,0,0]=4 3316 B14R1.2178 COc1nccc(c1SC(C)OC)C 62a_100009879195_100012353928 [0,2,0,0,0,0|2,0,0]=4 3317 B14R1.2178 COc1nccc(c1SC(C)OC)C 62a_100012353928_100009879195 [0,2,0,0,0,0|2,0,0]=4 3318 B14R1.2178 COc1nccc(c1SC(C)OC)N 62a_100009879195_100010243811 [0,2,0,0,0,0|2,0,0]=4 3319 B14R1.2178 COc1nccc(c1SC(C)OC)N 62a_100010243811_100009879195 [0,2,0,0,0,0|2,0,0]=4 3320 B14R1.2178 COc1nccc(c1S[C@H](C)CO)C 62a_100012353928_100016084084 [0,2,0,0,0,0|2,0,0]=4 3321 B14R1.2178 COc1nccc(c1S[C@H](C)CO)C 62a_100016084084_100012353928 [0,2,0,0,0,0|2,0,0]=4 3322 B14R1.2178 COc1nccc(c1S[C@H](C)CO)N 62a_100010243811_100016084084 [0,2,0,0,0,0|2,0,0]=4 3323 B14R1.2178 COc1nccc(c1S[C@H](C)CO)N 62a_100016084084_100010243811 [0,2,0,0,0,0|2,0,0]=4 3324 B14R1.3136 C=C[C@@H](CO)Nc1nccnc1OC 27a_100016989147_100009858322 [0,2,0,0,0,0|1,0,1]=4 3325 B14R1.3136 CCC(CC)Nc1nccnc1OC 27a_100000199018_100009858322 [0,2,0,0,0,0|1,0,0]=3 3326 B14R1.3136 CCC(CC)Oc1cccnc1OC 7a_100000698397_100000210505 [0,2,0,0,0,0|2,0,0]=4 3327 B14R1.3136 CCC(CC)Sc1cccnc1OC 62a_100000047025_100000210505 [0,2,0,0,0,0|2,0,0]=4 3328 B14R1.3136 CCC(CC)Sc1cccnc1OC 62a_100000210505_100000047025 [0,2,0,0,0,0|2,0,0]=4 3329 B14R1.3136 CCC(CC)Sc1ncccc1OC 62a_100000210505_100000690851 [0,2,0,0,0,0|2,0,0]=4 3330 B14R1.3136 CCC(CC)Sc1ncccc1OC 62a_100000767102_100000210505 [0,2,0,0,0,0|2,0,0]=4 3331 B14R1.3136 CCC(CC)Sc1nccnc1NC 62a_100000210505_100011529439 [0,2,0,0,0,0|2,0,0]=4 3332 B14R1.3136 CCC(CC)Sc1nccnc1OC 62a_100000210505_100000749998 [0,2,0,0,0,0|1,0,0]=3 3333 B14R1.3136 CCC(CC)Sc1nccnc1OC 62a_100009858322_100000210505 [0,2,0,0,0,0|1,0,0]=3 3334 B14R1.3136 CCN(CC)Cc1cccnc1OC 2230a_100000724800_100020631285 [0,2,0,0,0,0|2,0,0]=4 3335 B14R1.3136 CCN(CC)Cc1cccnc1OC 269956a_100000042499_100020631285 [0,2,0,0,0,0|2,0,0]=4 3336 B14R1.3136 CCN(CC)Cc1cccnc1OC 270004a_100000724800_100011290804 [0,2,0,0,0,0|2,0,0]=4 3337 B14R1.3136 CCN(CC)Cc1ncccc1OC 270004a_100000724800_100011912573 [0,2,0,0,0,0|2,0,0]=4 3338 B14R1.3136 CC[C@@H](CO)Nc1nccnc1OC 27a_100000709445_100009858322 [0,2,0,0,0,0|1,0,0]=3 3339 B14R1.3136 CCc1nccnc1NC(CC)CC 27a_100000199018_100011995844 [0,2,0,0,0,0|2,0,0]=4 3340 B14R1.3136 CCc1nccnc1NC(CO)CO 27a_100000759517_100011995844 [0,2,0,0,0,0|2,0,0]=4 3341 B14R1.3136 CCc1nccnc1N[C@@H](CC)CO 27a_100000709445_100011995844 [0,2,0,0,0,0|2,0,0]=4 3342 B14R1.3136 CCc1nccnc1SC(CC)CC 62a_100000210505_100011995844 [0,2,0,0,0,0|2,0,0]=4 3343 B14R1.3136 CCc1nccnc1SC(CC)CC 62a_100011995844_100000210505 [0,2,0,0,0,0|2,0,0]=4 3344 B14R1.3136 COc1nccnc1NC(CO)CO 27a_100000759517_100009858322 [0,2,0,0,0,0|1,0,0]=3 3345 B14R1.3279 CCC(C)Oc1cc(cnc1OC)Br 34a_100010135713_100011215416 [0,2,0,0,0,0|2,0,0]=4 3346 B14R1.3279 CCC(C)Sc1cc(cnc1OC)Br 62a_100000758301_100009814608 [0,2,0,0,0,0|2,0,0]=4 3347 B14R1.3279 CCC(C)Sc1cc(cnc1OC)Br 62a_100009814608_100000758301 [0,2,0,0,0,0|2,0,0]=4 3348 B14R1.3279 CCC(C)Sc1cc(cnc1OC)C 62a_100000758301_100012353929 [0,2,0,0,0,0|2,0,0]=4 3349 B14R1.3279 CCC(C)Sc1cc(cnc1OC)C 62a_100012353929_100000758301 [0,2,0,0,0,0|2,0,0]=4 3350 B14R1.3279 CCC(C)Sc1cc(cnc1OC)F 62a_100000758301_100009828472 [0,2,0,0,0,0|2,0,0]=4 3351 B14R1.3279 CCC(C)Sc1cc(cnc1OC)F 62a_100009828472_100000758301 [0,2,0,0,0,0|2,0,0]=4 3352 B14R1.3279 CCC(C)Sc1cc(cnc1OC)N 62a_100000758301_100012351452 [0,2,0,0,0,0|2,0,0]=4 3353 B14R1.3279 CCC(C)Sc1cc(cnc1OC)N 62a_100012351452_100000758301 [0,2,0,0,0,0|2,0,0]=4 3354 B14R1.3279 CCC(C)Sc1nc(ccc1OC)C 62a_100000758301_100009820875 [0,2,0,0,0,0|2,0,0]=4 3355 B14R1.3279 CCC(C)Sc1nc(ccc1OC)C 62a_100009820875_100000758301 [0,2,0,0,0,0|2,0,0]=4 3356 B14R1.3279 CCC(C)Sc1nc(ccc1OC)N 62a_100000758301_100010172607 [0,2,0,0,0,0|2,0,0]=4 3357 B14R1.3279 CCC(C)Sc1nc(ccc1OC)N 62a_100010172607_100000758301 [0,2,0,0,0,0|2,0,0]=4 3358 B14R1.3279 CCN(C)Cc1cc(cnc1OC)Br 2230a_100000225621_100010065838 [0,2,0,0,0,0|2,0,0]=4 3359 B14R1.3279 CCN(C)Cc1cc(cnc1OC)Br 269982a_100000225621_100010065838 [0,2,0,0,0,0|2,0,0]=4 3360 B14R1.3279 CNC(C)Cc1cc(ccc1OC)Br 270004a_106832991635_200011493461 [0,2,0,0,0,0|2,0,0]=4 3361 B14R1.3279 CNC(C)Cc1cc(ccc1OC)F 270004a_106832991635_200000084593 [0,2,0,0,0,0|2,0,0]=4 3362 B14R1.3279 COc1ccc(nc1SC(C)CO)C 62a_100012180447_100009820875 [0,2,0,0,0,0|2,0,0]=4 3363 B14R1.3279 COc1ccc(nc1SC(C)CO)N 62a_100012180447_100010172607 [0,2,0,0,0,0|2,0,0]=4 3364 B14R1.3279 COc1ccc(nc1SC(C)OC)C 62a_100009820875_100009879195 [0,2,0,0,0,0|2,0,0]=4 3365 B14R1.3279 COc1ccc(nc1SC(C)OC)C 62a_100009879195_100009820875 [0,2,0,0,0,0|2,0,0]=4 3366 B14R1.3279 COc1ccc(nc1SC(C)OC)N 62a_100009879195_100010172607 [0,2,0,0,0,0|2,0,0]=4 3367 B14R1.3279 COc1ccc(nc1SC(C)OC)N 62a_100010172607_100009879195 [0,2,0,0,0,0|2,0,0]=4 3368 B14R1.3279 COc1ccc(nc1S[C@H](C)CO)C 62a_100009820875_100016084084 [0,2,0,0,0,0|2,0,0]=4 3369 B14R1.3279 COc1ccc(nc1S[C@H](C)CO)C 62a_100016084084_100009820875 [0,2,0,0,0,0|2,0,0]=4 3370 B14R1.3279 COc1ccc(nc1S[C@H](C)CO)N 62a_100010172607_100016084084 [0,2,0,0,0,0|2,0,0]=4 3371 B14R1.3279 COc1ccc(nc1S[C@H](C)CO)N 62a_100016084084_100010172607 [0,2,0,0,0,0|2,0,0]=4 3372 B14R1.3279 COc1ncc(cc1OC(C)CO)Br 34a_100010135713_100012180447 [0,2,0,0,0,0|2,0,0]=4 3373 B14R1.3279 COc1ncc(cc1SC(C)CO)Br 62a_100012180447_100009814608 [0,2,0,0,0,0|2,0,0]=4 3374 B14R1.3279 COc1ncc(cc1SC(C)CO)C 62a_100012180447_100012353929 [0,2,0,0,0,0|2,0,0]=4 3375 B14R1.3279 COc1ncc(cc1SC(C)CO)F 62a_100012180447_100009828472 [0,2,0,0,0,0|2,0,0]=4 3376 B14R1.3279 COc1ncc(cc1SC(C)CO)N 62a_100012180447_100012351452 [0,2,0,0,0,0|2,0,0]=4 3377 B14R1.3279 COc1ncc(cc1SC(C)OC)Br 62a_100009814608_100009879195 [0,2,0,0,0,0|2,0,0]=4 3378 B14R1.3279 COc1ncc(cc1SC(C)OC)Br 62a_100009879195_100009814608 [0,2,0,0,0,0|2,0,0]=4 3379 B14R1.3279 COc1ncc(cc1SC(C)OC)C 62a_100009879195_100012353929 [0,2,0,0,0,0|2,0,0]=4 3380 B14R1.3279 COc1ncc(cc1SC(C)OC)C 62a_100012353929_100009879195 [0,2,0,0,0,0|2,0,0]=4 3381 B14R1.3279 COc1ncc(cc1SC(C)OC)F 62a_100009828472_100009879195 [0,2,0,0,0,0|2,0,0]=4 3382 B14R1.3279 COc1ncc(cc1SC(C)OC)F 62a_100009879195_100009828472 [0,2,0,0,0,0|2,0,0]=4 3383 B14R1.3279 COc1ncc(cc1SC(C)OC)N 62a_100009879195_100012351452 [0,2,0,0,0,0|2,0,0]=4 3384 B14R1.3279 COc1ncc(cc1SC(C)OC)N 62a_100012351452_100009879195 [0,2,0,0,0,0|2,0,0]=4 3385 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)Br 62a_100009814608_100016084084 [0,2,0,0,0,0|2,0,0]=4 3386 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)Br 62a_100016084084_100009814608 [0,2,0,0,0,0|2,0,0]=4 3387 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)C 62a_100012353929_100016084084 [0,2,0,0,0,0|2,0,0]=4 3388 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)C 62a_100016084084_100012353929 [0,2,0,0,0,0|2,0,0]=4 3389 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)F 62a_100009828472_100016084084 [0,2,0,0,0,0|2,0,0]=4 3390 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)F 62a_100016084084_100009828472 [0,2,0,0,0,0|2,0,0]=4 3391 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)N 62a_100012351452_100016084084 [0,2,0,0,0,0|2,0,0]=4 3392 B14R1.3279 COc1ncc(cc1S[C@H](C)CO)N 62a_100016084084_100012351452 [0,2,0,0,0,0|2,0,0]=4 3393 B14R1.3302 CC(=O)c1nccnc1N[C@H](C)CF 27a_100102880703_100000099859 [0,2,0,0,0,0|2,0,0]=4 3394 B14R1.3302 CC(=O)c1nccnc1N[C@H](C)CO 27a_100000737577_100000099859 [0,2,0,0,0,0|2,0,0]=4 3395 B14R1.3302 CC(=O)c1nccnc1SC(C)CO 62a_100012180447_100000099859 [0,2,0,0,0,0|2,0,0]=4 3396 B14R1.3302 CC(=O)c1nccnc1S[C@H](C)CO 62a_100000099859_100016084084 [0,2,0,0,0,0|2,0,0]=4 3397 B14R1.3302 CC(=O)c1nccnc1S[C@H](C)CO 62a_100016084084_100000099859 [0,2,0,0,0,0|2,0,0]=4 3398 B14R1.3302 CC(CO)Sc1nccnc1N(C)C 62a_100012180447_100000703087 [0,2,0,0,0,0|2,0,0]=4 3399 B14R1.3302 CCC(C)Sc1nccnc1C(=O)C 62a_100000099859_100000758301 [0,2,0,0,0,0|2,0,0]=4 3400 B14R1.3302 CCC(C)Sc1nccnc1C(=O)C 62a_100000758301_100000099859 [0,2,0,0,0,0|2,0,0]=4 3401 B14R1.3302 CCC(C)Sc1nccnc1N(C)C 62a_100000758301_100000703087 [0,2,0,0,0,0|2,0,0]=4 3402 B14R1.3302 COC(C)Sc1nccnc1C(=O)C 62a_100000099859_100009879195 [0,2,0,0,0,0|2,0,0]=4 3403 B14R1.3302 COC(C)Sc1nccnc1C(=O)C 62a_100009879195_100000099859 [0,2,0,0,0,0|2,0,0]=4 3404 B14R1.3302 COC(C)Sc1nccnc1N(C)C 62a_100009879195_100000703087 [0,2,0,0,0,0|2,0,0]=4 3405 B14R1.3302 C[C@H](CF)Nc1nccnc1N(C)C 27a_100102880703_100000703087 [0,2,0,0,0,0|2,0,0]=4 3406 B14R1.3302 C[C@H](CO)Nc1nccnc1N(C)C 27a_100000737577_100000703087 [0,2,0,0,0,0|2,0,0]=4 3407 B14R1.3302 C[C@H](CO)Sc1nccnc1N(C)C 62a_100016084084_100000703087 [0,2,0,0,0,0|2,0,0]=4 3408 B14R1.3995 CCC(C)Sc1nccc(c1OC)N 62a_100000104429_100000758301 [0,2,0,0,0,0|2,0,0]=4 3409 B14R1.3995 CCC(C)Sc1nccc(c1OC)N 62a_100000758301_100000104429 [0,2,0,0,0,0|2,0,0]=4 3410 B14R1.3995 CCC(C)Sc1nccc(c1OC)O 62a_100000758301_100000104430 [0,2,0,0,0,0|2,0,0]=4 3411 B14R1.3995 CCN(C)Cc1nccc(c1OC)Cl 2230a_100000225621_100015371371 [0,2,0,0,0,0|2,0,0]=4 3412 B14R1.3995 COc1c(ccnc1SC(C)CO)N 62a_100012180447_100000104429 [0,2,0,0,0,0|2,0,0]=4 3413 B14R1.3995 COc1c(ccnc1SC(C)CO)O 62a_100012180447_100000104430 [0,2,0,0,0,0|2,0,0]=4 3414 B14R1.3995 COc1c(ccnc1SC(C)OC)N 62a_100000104429_100009879195 [0,2,0,0,0,0|2,0,0]=4 3415 B14R1.3995 COc1c(ccnc1SC(C)OC)N 62a_100009879195_100000104429 [0,2,0,0,0,0|2,0,0]=4 3416 B14R1.3995 COc1c(ccnc1SC(C)OC)O 62a_100009879195_100000104430 [0,2,0,0,0,0|2,0,0]=4 3417 B14R1.3995 COc1c(ccnc1S[C@H](C)CO)N 62a_100000104429_100016084084 [0,2,0,0,0,0|2,0,0]=4 3418 B14R1.3995 COc1c(ccnc1S[C@H](C)CO)N 62a_100016084084_100000104429 [0,2,0,0,0,0|2,0,0]=4 3419 B14R1.3995 COc1c(ccnc1S[C@H](C)CO)O 62a_100016084084_100000104430 [0,2,0,0,0,0|2,0,0]=4 3420 B14R1.119 COc1c(ccnc1SC(C)(C)C)N 62a_100000104429_100000211941 [0,2,0,0,0,0|2,0,0]=4 3421 B14R1.119 COc1c(ccnc1SC(C)(C)C)N 62a_100000211941_100000104429 [0,2,0,0,0,0|2,0,0]=4 3422 B14R1.119 COc1c(ccnc1SC(C)(C)C)O 62a_100000211941_100000104430 [0,2,0,0,0,0|2,0,0]=4 3423 B14R1.1727 COc1c(ccnc1SC(C)C)C=O 62a_100000210206_100009863717 [0,2,0,0,0,0|2,0,0]=4 3424 B14R1.1727 COc1c(ccnc1SC(C)C)C=O 62a_200009814792_100000210206 [0,2,0,0,0,0|2,0,0]=4 3425 B14R1.1727 COc1ccnc(c1OC)CN(C)C 2230a_100102631434_100000718141 [0,2,0,0,0,0|2,0,0]=4 3426 B14R1.1727 COc1ccnc(c1OC)CN(C)C 269982a_100102631434_100000718141 [0,2,0,0,0,0|2,0,0]=4 3427 B14R1.262 CCOc1cccnc1SC(C)(C)C 62a_100000211941_100011597540 [0,2,0,0,0,0|2,0,0]=4 3428 B14R1.262 CCOc1cccnc1SC(C)(C)C 62a_100011597540_100000211941 [0,2,0,0,0,0|2,0,0]=4 3429 B14R1.262 CCOc1ncccc1OC(C)(C)C 34a_100011998697_100000210625 [0,2,0,0,0,0|2,0,0]=4 3430 B14R1.262 CCOc1ncccc1SC(C)(C)C 62a_100000211941_100011465154 [0,2,0,0,0,0|2,0,0]=4 3431 B14R1.262 CCOc1ncccc1SC(C)(C)C 62a_100011465154_100000211941 [0,2,0,0,0,0|2,0,0]=4 3432 B14R1.262 CCOc1nccnc1SC(C)(C)C 62a_100000211941_200010128176 [0,2,0,0,0,0|1,0,0]=3 3433 B14R1.262 CCOc1nccnc1SC(C)(C)C 62a_200010128176_100000211941 [0,2,0,0,0,0|1,0,0]=3 3434 B14R1.744 COC(=O)c1cccnc1CN(C)C 2230a_100102631434_100000709840 [0,2,0,0,0,0|2,0,0]=4 3435 B14R1.744 COC(=O)c1cccnc1CN(C)C 269982a_100102631434_100012347567 [0,2,0,0,0,0|2,0,0]=4 3436 B14R1.744 COC(=O)c1cccnc1NC(C)C 27a_100138425928_100000150852 [0,2,0,0,0,0|2,0,0]=4 3437 B14R1.744 COC(=O)c1cccnc1SC(C)C 62a_100000210206_100000150852 [0,2,0,0,0,0|2,0,0]=4 3438 B14R1.744 COC(=O)c1cccnc1SC(C)C 62a_100011587185_100000210206 [0,2,0,0,0,0|2,0,0]=4 3439 B14R1.744 COC(=O)c1ncccc1CN(C)C 2230a_100102631434_100010177730 [0,2,0,0,0,0|2,0,0]=4 3440 B14R1.744 COC(=O)c1ncccc1CN(C)C 269982a_100102631434_100010177730 [0,2,0,0,0,0|2,0,0]=4 3441 B14R1.744 COC(=O)c1ncccc1OC(C)C 34a_100000744052_100000210206 [0,2,0,0,0,0|2,0,0]=4 3442 B14R1.744 COC(=O)c1ncccc1OC(C)C 7a_100000744052_100000210206 [0,2,0,0,0,0|2,0,0]=4 3443 B14R1.744 COC(=O)c1ncccc1SC(C)C 62a_100000210206_100011935214 [0,2,0,0,0,0|2,0,0]=4 3444 B14R1.744 COC(=O)c1ncccc1SC(C)C 62a_100011935214_100000210206 [0,2,0,0,0,0|2,0,0]=4 3445 B14R1.744 COC(=O)c1nccnc1C=C(C)C 271570a_100102525489_100000688410 [0,2,0,0,0,0|0,0,2]=4 3446 B14R1.744 COC(=O)c1nccnc1NC(C)C 27a_100138425928_100000079898 [0,2,0,0,0,0|1,0,0]=3 3447 B14R1.744 COC(=O)c1nccnc1SC(C)C 62a_100000210206_100000079898 [0,2,0,0,0,0|1,0,0]=3 3448 B14R1.744 COC(=O)c1nccnc1SC(C)C 62a_100000688410_100000210206 [0,2,0,0,0,0|1,0,0]=3 3449 B14R1.744 CO[C@@H](C)c1ncccc1SC(C)C 62a_100000210206_106256553109 [0,2,0,0,0,0|2,0,0]=4 3450 B14R1.744 CO[C@@H](C)c1ncccc1SC(C)C 62a_106256553109_100000210206 [0,2,0,0,0,0|2,0,0]=4 3451 B14R1.786 CC(C)Nc1ncccc1OCCF 27a_100138425928_100012814765 [0,2,0,0,0,0|2,0,0]=4 3452 B14R1.786 CC(C)Sc1ncccc1OCCF 62a_100000210206_100012814765 [0,2,0,0,0,0|2,0,0]=4 3453 B14R1.786 CC(C)Sc1ncccc1OCCF 62a_100012814765_100000210206 [0,2,0,0,0,0|2,0,0]=4 3454 B14R1.786 CC(C)Sc1nccnc1NCCO 62a_100000210206_200011219046 [0,2,0,0,0,0|2,0,0]=4 3455 B14R1.786 CC(C)Sc1nccnc1NCCO 62a_200011219046_100000210206 [0,2,0,0,0,0|2,0,0]=4 3456 B14R1.786 CCCOc1ncccc1CN(C)C 270004a_100102631434_200011290810 [0,2,0,0,0,0|2,0,0]=4 3457 B14R1.786 CCCOc1ncccc1SC(C)C 62a_100000210206_200011465209 [0,2,0,0,0,0|2,0,0]=4 3458 B14R1.786 CCCOc1ncccc1SC(C)C 62a_200011465209_100000210206 [0,2,0,0,0,0|2,0,0]=4 3459 B14R1.786 COCOc1cccnc1SC(C)C 62a_100000210206_100011935308 [0,2,0,0,0,0|2,0,0]=4 3460 B14R1.786 COCOc1cccnc1SC(C)C 62a_100011935308_100000210206 [0,2,0,0,0,0|2,0,0]=4 3461 B14R1.786 COCSc1cccnc1OC(C)C 62a_100000766300_200011465186 [0,2,0,0,0,0|2,0,0]=4 3462 B14R1.786 COCSc1cccnc1OC(C)C 62a_200011465186_100000766300 [0,2,0,0,0,0|2,0,0]=4 3463 B14R1.814 CC(=O)Oc1cccnc1SC(C)C 62a_100000210206_200009815371 [0,2,0,0,0,0|2,0,0]=4 3464 B14R1.814 CC(=O)Oc1cccnc1SC(C)C 62a_200009815371_100000210206 [0,2,0,0,0,0|2,0,0]=4 3465 B14R1.814 CC(C)Oc1ncccc1CN(C)C 270004a_100102631434_100011290806 [0,2,0,0,0,0|2,0,0]=4 3466 B14R1.814 CC(C)Oc1ncccc1SC(C)C 62a_100000210206_200011465186 [0,2,0,0,0,0|2,0,0]=4 3467 B14R1.814 CC(C)Oc1ncccc1SC(C)C 62a_200011465186_100000210206 [0,2,0,0,0,0|2,0,0]=4 3468 B14R1.814 CC(C)Sc1ncccc1OC(F)F 62a_100000210206_100000697348 [0,2,0,0,0,0|2,0,0]=4 3469 B14R1.814 CC(C)Sc1ncccc1OC(F)F 62a_100000697348_100000210206 [0,2,0,0,0,0|2,0,0]=4 3470 B14R1.6721 CCOc1ncc(cc1SC(C)C)Br 62a_100000210206_200010177599 [0,2,0,0,0,0|2,0,0]=4 3471 B14R1.6721 CCOc1ncc(cc1SC(C)C)Br 62a_200010177599_100000210206 [0,2,0,0,0,0|2,0,0]=4 3472 B14R1.164 Cc1cnc(c(n1)NC(C)C)C(C)C 27a_100138425928_100015629263 [0,2,0,0,0,0|2,0,0]=4 3473 B14R1.164 Cc1cnc(c(n1)SC(C)C)C(C)C 62a_100000210206_100015629263 [0,2,0,0,0,0|2,0,0]=4 3474 B14R1.164 Cc1cnc(c(n1)SC(C)C)C(C)C 62a_100015629263_100000210206 [0,2,0,0,0,0|2,0,0]=4 3475 B14R1.6312 CC(=O)c1nccnc1SC(C)(C)C 62a_100000099859_100000211941 [0,2,0,0,0,0|2,0,0]=4 3476 B14R1.6312 CC(=O)c1nccnc1SC(C)(C)C 62a_100000211941_100000099859 [0,2,0,0,0,0|2,0,0]=4 3477 B14R1.6312 CN(C)c1nccnc1SC(C)(C)C 62a_100000211941_100000703087 [0,2,0,0,0,0|2,0,0]=4 3478 B14R1.1866 COc1ccc(nc1SC(C)(C)C)C 62a_100000211941_100009820875 [0,2,0,0,0,0|2,0,0]=4 3479 B14R1.1866 COc1ccc(nc1SC(C)(C)C)C 62a_100009820875_100000211941 [0,2,0,0,0,0|2,0,0]=4 3480 B14R1.1866 COc1ccc(nc1SC(C)(C)C)N 62a_100000211941_100010172607 [0,2,0,0,0,0|2,0,0]=4 3481 B14R1.1866 COc1ccc(nc1SC(C)(C)C)N 62a_100010172607_100000211941 [0,2,0,0,0,0|2,0,0]=4 3482 B14R1.1866 COc1ncc(cc1OC(C)(C)C)Br 34a_100010135713_100000210625 [0,2,0,0,0,0|2,0,0]=4 3483 B14R1.1866 COc1ncc(cc1SC(C)(C)C)Br 62a_100000211941_100009814608 [0,2,0,0,0,0|2,0,0]=4 3484 B14R1.1866 COc1ncc(cc1SC(C)(C)C)Br 62a_100009814608_100000211941 [0,2,0,0,0,0|2,0,0]=4 3485 B14R1.1866 COc1ncc(cc1SC(C)(C)C)C 62a_100000211941_100012353929 [0,2,0,0,0,0|2,0,0]=4 3486 B14R1.1866 COc1ncc(cc1SC(C)(C)C)C 62a_100012353929_100000211941 [0,2,0,0,0,0|2,0,0]=4 3487 B14R1.1866 COc1ncc(cc1SC(C)(C)C)F 62a_100000211941_100009828472 [0,2,0,0,0,0|2,0,0]=4 3488 B14R1.1866 COc1ncc(cc1SC(C)(C)C)F 62a_100009828472_100000211941 [0,2,0,0,0,0|2,0,0]=4 3489 B14R1.1866 COc1ncc(cc1SC(C)(C)C)N 62a_100000211941_100012351452 [0,2,0,0,0,0|2,0,0]=4 3490 B14R1.1866 COc1ncc(cc1SC(C)(C)C)N 62a_100012351452_100000211941 [0,2,0,0,0,0|2,0,0]=4 3491 B14R1.2173 COc1nccc(c1SC(C)(C)C)C 62a_100000211941_100012353928 [0,2,0,0,0,0|2,0,0]=4 3492 B14R1.2173 COc1nccc(c1SC(C)(C)C)C 62a_100012353928_100000211941 [0,2,0,0,0,0|2,0,0]=4 3493 B14R1.2173 COc1nccc(c1SC(C)(C)C)N 62a_100000211941_100010243811 [0,2,0,0,0,0|2,0,0]=4 3494 B14R1.2173 COc1nccc(c1SC(C)(C)C)N 62a_100010243811_100000211941 [0,2,0,0,0,0|2,0,0]=4 3495 B14R1.2180 COc1ccnc(c1SC(C)C)OC 62a_100000210206_100010114374 [0,2,0,0,0,0|2,0,0]=4 3496 B14R1.2180 COc1ccnc(c1SC(C)C)OC 62a_100010114374_100000210206 [0,2,0,0,0,0|2,0,0]=4 3497 B14R1.2180 COc1nccc(c1SC(C)C)C#N 62a_100000210206_200000050020 [0,2,0,0,0,0|2,0,0]=4 3498 B14R1.3723 COc1ccc(nc1SC(C)C)C=O 62a_100000210206_100010174741 [0,2,0,0,0,0|2,0,0]=4 3499 B14R1.3723 COc1ccc(nc1SC(C)C)C=O 62a_100010174741_100000210206 [0,2,0,0,0,0|2,0,0]=4 3500 B14R1.3723 COc1ccc(nc1SC(C)C)CO 62a_100000210206_100009842956 [0,2,0,0,0,0|2,0,0]=4 3501 B14R1.3723 COc1ccc(nc1SC(C)C)CO 62a_100009842956_100000210206 [0,2,0,0,0,0|2,0,0]=4 3502 B14R1.3723 COc1ncc(cc1SC(C)C)C=O 62a_100000210206_200010064893 [0,2,0,0,0,0|2,0,0]=4 3503 B14R1.3723 COc1ncc(cc1SC(C)C)C=O 62a_200010064893_100000210206 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.130 CC(C)CC=Cc1cncn1C 271570a_100016259101_100009814087 [0,0,1,1,0,0|2,0,0]=4 3505 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [1,0,0,1,0,0|2,0,0]=4 3506 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [1,0,0,1,0,0|2,0,0]=4 3507 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [1,0,0,1,0,0|2,0,0]=4 3508 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [1,0,0,1,0,0|2,0,0]=4 3509 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [1,0,0,1,0,0|2,0,0]=4 3510 B12R2.2048 CCc1nccnc1C2CC2 271570a_100011220607_100011995844 [1,0,0,1,0,0|1,0,0]=3 3511 B12R2.2048 CNc1cccnc1C2CC2 271570a_100011220607_200011806188 [1,0,0,1,0,0|2,0,0]=4 3512 B12R2.2048 CNc1ncccc1C2CC2 271570a_100011220607_100000700899 [1,0,0,1,0,0|2,0,0]=4 3513 B12R2.2048 CNc1nccnc1C2CC2 271570a_100011220607_100011529439 [1,0,0,1,0,0|1,0,0]=3 3514 B12R2.2048 COc1ccccc1C2CC2 271570a_100011220607_100000174000 [1,0,0,1,0,0|2,0,0]=4 3515 B12R2.2048 COc1cccnc1C2CC2 271570a_100011220607_100000690851 [1,0,0,1,0,0|1,0,0]=3 3516 B12R2.2048 COc1cncnc1C2CC2 271570a_100011220607_100012001275 [1,0,0,1,0,0|2,0,0]=4 3517 B12R2.2048 COc1ncccc1C2CC2 271570a_100011220607_100000047025 [1,0,0,1,0,0|1,0,0]=3 3518 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [1,0,0,1,0,0|0,0,0]=2 3519 B12R2.2048 COc1ncncc1C2CC2 271570a_100011220607_100000719902 [1,0,0,1,0,0|2,0,0]=4 3520 B12R2.2048 CSc1ncccc1C2CC2 271570a_100011220607_100011465278 [1,0,0,1,0,0|1,1,0]=4 3521 B12R2.2048 CSc1ncccc1C2CC2 62a_200000210301_100009851976 [1,0,0,1,0,0|1,1,0]=4 3522 B12R2.2048 CSc1ncccc1C2CC2 62a_200009850273_200000210301 [1,0,0,1,0,0|1,1,0]=4 3523 B12R2.2048 N#Cc1nccnc1C2CC2 271570a_100011220607_100000040484 [1,0,0,1,0,0|2,0,0]=4 3524 B12R2.2048 NCc1nccnc1C2CC2 271570a_100011220607_100000729963 [1,0,0,1,0,0|2,0,0]=4 3525 B12R2.2048 NNc1nccnc1C2CC2 271570a_100011220607_100000755098 [1,0,0,1,0,0|2,0,0]=4 3526 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [1,0,0,1,0,0|2,0,0]=4 3527 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200009850273_200025704644 [1,0,0,1,0,0|1,1,0]=4 3528 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200025704644_100009851976 [1,0,0,1,0,0|1,1,0]=4 3529 B12R2.225 Cc1cccnc1SC2CC2 62a_100000751373_100000211595 [1,0,0,1,0,0|2,0,0]=4 3530 B12R2.225 Cc1ncccc1OC2CC2 34a_100000745507_100000211595 [1,0,0,1,0,0|2,0,0]=4 3531 B12R2.225 Cc1ncccc1SC2CC2 62a_100000751574_100000211595 [1,0,0,1,0,0|2,0,0]=4 3532 B12R2.225 Cc1nccnc1NC2CC2 27a_100000212008_100011999405 [1,0,0,1,0,0|1,0,0]=3 3533 B12R2.225 Cc1nccnc1OC2CC2 34a_100000766352_100000211595 [1,0,0,1,0,0|1,0,0]=3 3534 B12R2.225 Cc1nccnc1SC2CC2 62a_100011999405_100000211595 [1,0,0,1,0,0|1,0,0]=3 3535 B12R2.225 Clc1nccnc1SC2CC2 62a_100010886584_100000211595 [1,0,0,1,0,0|2,0,0]=4 3536 B12R2.225 Fc1nccnc1NC2CC2 27a_100000212008_200010125657 [1,0,0,1,0,0|2,0,0]=4 3537 B12R2.225 Fc1nccnc1SC2CC2 62a_200010125657_100000211595 [1,0,0,1,0,0|2,0,0]=4 3538 B12R2.225 Nc1nccnc1SC2CC2 62a_100000747729_100000211595 [1,0,0,1,0,0|2,0,0]=4 3539 B12R2.225 Oc1cccnc1SC2CC2 62a_100000034122_100000211595 [1,0,0,1,0,0|2,0,0]=4 3540 B12R2.225 Oc1ncccc1SC2CC2 62a_100000760158_100000211595 [1,0,0,1,0,0|2,0,0]=4 3541 B14R2.2 CC(C)NC1COc2c1cccc2 2230a_100000747519_100000210206 [0,0,0,1,0,1|2,0,0]=4 3542 B14R2.781 CC(C)N1CCc2cccnc2C1 2230a_100015206102_100000210206 [0,0,0,1,0,1|2,0,0]=4 3543 B14R2.781 CC(C)N1CCc2cccnc2C1 269982a_100015206102_100000210206 [0,0,0,1,0,1|2,0,0]=4 3544 B14R2.781 CC(C)N1CCc2ncccc2C1 2230a_100000699647_100000210206 [0,0,0,1,0,1|2,0,0]=4 3545 B14R2.781 CC(C)N1CCc2ncccc2C1 269982a_100000699647_100000210206 [0,0,0,1,0,1|2,0,0]=4 3546 B14R2.1145 CCc1nccnc1N[C@@H]2C[C@@H]2F 27a_100015190264_100011995844 [0,0,0,1,0,1|2,0,0]=4 3547 B14R2.1145 CCc1nccnc1N[C@@H]2C[C@H]2F 27a_100025746932_100011995844 [0,0,0,1,0,1|2,0,0]=4 3548 B14R2.1145 COc1nccnc1N[C@@H]2C[C@@H]2F 27a_100015190264_100009858322 [0,0,0,1,0,1|1,0,0]=3 3549 B14R2.1145 COc1nccnc1N[C@@H]2C[C@H]2F 27a_100025746932_100009858322 [0,0,0,1,0,1|1,0,0]=3 3550 B14R2.2967 CC1CN(C1)c2nccnc2C#N 27a_100000702820_100000040484 [0,0,0,1,0,1|2,0,0]=4 3551 B14R2.2967 CCc1nccnc1N2CC(C2)C 27a_100000702820_100011995844 [0,0,0,1,0,1|1,0,0]=3 3552 B14R2.2967 CCc1nccnc1N2CC(C2)F 27a_100000690557_100011995844 [0,0,0,1,0,1|2,0,0]=4 3553 B14R2.2967 CCc1nccnc1N2CC(C2)O 27a_100000749847_100011995844 [0,0,0,1,0,1|2,0,0]=4 3554 B14R2.2967 COc1cncnc1N2CC(C2)C 27a_100000702820_100012001275 [0,0,0,1,0,1|2,0,0]=4 3555 B14R2.2967 COc1nccnc1N2CC(C2)C 27a_100000702820_100009858322 [0,0,0,1,0,1|0,0,0]=2 3556 B14R2.2967 COc1nccnc1N2CC(C2)F 27a_100000690557_100009858322 [0,0,0,1,0,1|1,0,0]=3 3557 B14R2.2967 COc1nccnc1N2CC(C2)O 27a_100000749847_100009858322 [0,0,0,1,0,1|1,0,0]=3 3558 B14R2.11625 CCc1ncccc1SCC2CC2 62a_100000756562_100009877225 [0,0,0,1,0,1|2,0,0]=4 3559 B14R2.11625 CCc1ncccc1SCC2CC2 62a_100009877225_100000742324 [0,0,0,1,0,1|2,0,0]=4 3560 B14R2.11625 CCc1nccnc1C#CC2CC2 271570a_200009880635_100011995844 [0,0,0,1,0,1|1,0,1]=4 3561 B14R2.11625 CCc1nccnc1C=CC2CC2 271570a_100102526188_100011995844 [0,0,0,1,0,1|1,0,1]=4 3562 B14R2.11625 CCc1nccnc1NCC2CC2 27a_100000735609_100011995844 [0,0,0,1,0,1|1,0,0]=3 3563 B14R2.11625 CCc1nccnc1SCC2CC2 62a_100000756562_100011995844 [0,0,0,1,0,1|1,0,0]=3 3564 B14R2.11625 CCc1nccnc1SCC2CC2 62a_100011995844_100000742324 [0,0,0,1,0,1|1,0,0]=3 3565 B14R2.11625 CCc1nccnc1SCC2CO2 62a_100011995844_102125554688 [0,0,0,1,0,1|2,0,0]=4 3566 B14R2.11625 CCc1nccnc1SCC2CO2 62a_102125554688_100011995844 [0,0,0,1,0,1|2,0,0]=4 3567 B14R2.11625 CCc1nccnc1SCC2CS2 62a_100000031435_100011995844 [0,0,0,1,0,1|2,0,0]=4 3568 B14R2.11625 CCc1nccnc1SCC2CS2 62a_100011995844_100000031435 [0,0,0,1,0,1|2,0,0]=4 3569 B14R2.11625 CCc1nccnc1SC[C@@H]2CO2 62a_100000745022_100011995844 [0,0,0,1,0,1|2,0,0]=4 3570 B14R2.11625 CCc1nccnc1SC[C@@H]2CO2 62a_100011995844_100000745022 [0,0,0,1,0,1|2,0,0]=4 3571 B14R2.11625 CNc1cccnc1SCC2CC2 62a_100000756562_200011806188 [0,0,0,1,0,1|2,0,0]=4 3572 B14R2.11625 CNc1ncccc1SCC2CC2 62a_100000700899_100000742324 [0,0,0,1,0,1|2,0,0]=4 3573 B14R2.11625 CNc1ncccc1SCC2CC2 62a_100000756562_100000700899 [0,0,0,1,0,1|2,0,0]=4 3574 B14R2.11625 CNc1nccnc1C#CC2CC2 271570a_200009880635_100011529439 [0,0,0,1,0,1|1,0,1]=4 3575 B14R2.11625 CNc1nccnc1C=CC2CC2 271570a_100102526188_100011529439 [0,0,0,1,0,1|1,0,1]=4 3576 B14R2.11625 CNc1nccnc1SCC2CC2 62a_100000756562_100011529439 [0,0,0,1,0,1|1,0,0]=3 3577 B14R2.11625 CNc1nccnc1SCC2CO2 62a_102125554688_100011529439 [0,0,0,1,0,1|2,0,0]=4 3578 B14R2.11625 CNc1nccnc1SCC2CS2 62a_100000031435_100011529439 [0,0,0,1,0,1|2,0,0]=4 3579 B14R2.11625 CNc1nccnc1SC[C@@H]2CO2 62a_100000745022_100011529439 [0,0,0,1,0,1|2,0,0]=4 3580 B14R2.11625 COc1ccccc1CNC2CC2 34a_100000188900_100000211595 [0,0,0,1,0,1|2,0,0]=4 3581 B14R2.11625 COc1ccccc1CNC2CC2 34a_100000212008_100000210004 [0,0,0,1,0,1|2,0,0]=4 3582 B14R2.11625 COc1ccccc1COC2CC2 34a_100000211301_100000211595 [0,0,0,1,0,1|2,0,0]=4 3583 B14R2.11625 COc1ccccc1CSC2CC2 62a_100000210004_100000211595 [0,0,0,1,0,1|2,0,0]=4 3584 B14R2.11625 COc1ccccc1NCC2CC2 34a_100000210025_100000742324 [0,0,0,1,0,1|2,0,0]=4 3585 B14R2.11625 COc1ccccc1OCC2CC2 34a_100000210385_100000742324 [0,0,0,1,0,1|2,0,0]=4 3586 B14R2.11625 COc1ccccc1SCC2CC2 62a_100000210334_100000742324 [0,0,0,1,0,1|2,0,0]=4 3587 B14R2.11625 COc1ccccc1SCC2CC2 62a_100000756562_100000210334 [0,0,0,1,0,1|2,0,0]=4 3588 B14R2.11625 COc1cccnc1C#CC2CC2 271570a_200009880635_100000690851 [0,0,0,1,0,1|1,0,1]=4 3589 B14R2.11625 COc1cccnc1C=CC2CC2 271570a_100102526188_100000690851 [0,0,0,1,0,1|1,0,1]=4 3590 B14R2.11625 COc1cccnc1COC2CC2 34a_100011998681_100000211595 [0,0,0,1,0,1|1,0,0]=3 3591 B14R2.11625 COc1cccnc1OCC2CC2 34a_100025773188_100000742324 [0,0,0,1,0,1|1,0,0]=3 3592 B14R2.11625 COc1cccnc1OCC2CO2 34a_100025773188_102125554688 [0,0,0,1,0,1|2,0,0]=4 3593 B14R2.11625 COc1cccnc1SCC2CC2 62a_100000756562_100000690851 [0,0,0,1,0,1|1,0,0]=3 3594 B14R2.11625 COc1cccnc1SCC2CC2 62a_100000767102_100000742324 [0,0,0,1,0,1|1,0,0]=3 3595 B14R2.11625 COc1cccnc1SCC2CO2 62a_100000767102_102125554688 [0,0,0,1,0,1|2,0,0]=4 3596 B14R2.11625 COc1cccnc1SCC2CO2 62a_102125554688_100000690851 [0,0,0,1,0,1|2,0,0]=4 3597 B14R2.11625 COc1cccnc1SCC2CS2 62a_100000031435_100000690851 [0,0,0,1,0,1|2,0,0]=4 3598 B14R2.11625 COc1cccnc1SCC2CS2 62a_100000767102_100000031435 [0,0,0,1,0,1|2,0,0]=4 3599 B14R2.11625 COc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000690851 [0,0,0,1,0,1|2,0,0]=4 3600 B14R2.11625 COc1cccnc1SC[C@@H]2CO2 62a_100000767102_100000745022 [0,0,0,1,0,1|2,0,0]=4 3601 B14R2.11625 COc1cncnc1NCC2CC2 27a_100000735609_100012001275 [0,0,0,1,0,1|2,0,0]=4 3602 B14R2.11625 COc1cncnc1SCC2CC2 62a_100000756562_100012001275 [0,0,0,1,0,1|2,0,0]=4 3603 B14R2.11625 COc1cncnc1SCC2CC2 62a_100012001275_100000742324 [0,0,0,1,0,1|2,0,0]=4 3604 B14R2.11625 COc1ncccc1C#CC2CC2 271570a_200009880635_100000047025 [0,0,0,1,0,1|1,0,1]=4 3605 B14R2.11625 COc1ncccc1C=CC2CC2 271570a_100102526188_100000047025 [0,0,0,1,0,1|1,0,1]=4 3606 B14R2.11625 COc1ncccc1CNC2CC2 34a_100000212008_100020631285 [0,0,0,1,0,1|1,0,0]=3 3607 B14R2.11625 COc1ncccc1COC2CC2 34a_100000717863_100000211595 [0,0,0,1,0,1|1,0,0]=3 3608 B14R2.11625 COc1ncccc1CSC2CC2 62a_100020631285_100000211595 [0,0,0,1,0,1|1,0,0]=3 3609 B14R2.11625 COc1ncccc1OCC2CC2 34a_100000698397_100000742324 [0,0,0,1,0,1|1,0,0]=3 3610 B14R2.11625 COc1ncccc1OCC2CC2 7a_100000698397_100000742324 [0,0,0,1,0,1|1,0,0]=3 3611 B14R2.11625 COc1ncccc1OCC2CO2 34a_100000698397_102125554688 [0,0,0,1,0,1|2,0,0]=4 3612 B14R2.11625 COc1ncccc1OCC2CO2 7a_100000698397_102125554688 [0,0,0,1,0,1|2,0,0]=4 3613 B14R2.11625 COc1ncccc1OCC2CS2 7a_100000698397_100000031435 [0,0,0,1,0,1|2,0,0]=4 3614 B14R2.11625 COc1ncccc1OC[C@@H]2CO2 7a_100000698397_100000745022 [0,0,0,1,0,1|2,0,0]=4 3615 B14R2.11625 COc1ncccc1SCC2CC2 62a_100000047025_100000742324 [0,0,0,1,0,1|1,0,0]=3 3616 B14R2.11625 COc1ncccc1SCC2CC2 62a_100000756562_100000047025 [0,0,0,1,0,1|1,0,0]=3 3617 B14R2.11625 COc1ncccc1SCC2CO2 62a_100000047025_102125554688 [0,0,0,1,0,1|2,0,0]=4 3618 B14R2.11625 COc1ncccc1SCC2CO2 62a_102125554688_100000047025 [0,0,0,1,0,1|2,0,0]=4 3619 B14R2.11625 COc1ncccc1SCC2CS2 62a_100000031435_100000047025 [0,0,0,1,0,1|2,0,0]=4 3620 B14R2.11625 COc1ncccc1SCC2CS2 62a_100000047025_100000031435 [0,0,0,1,0,1|2,0,0]=4 3621 B14R2.11625 COc1ncccc1SC[C@@H]2CO2 62a_100000047025_100000745022 [0,0,0,1,0,1|2,0,0]=4 3622 B14R2.11625 COc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000047025 [0,0,0,1,0,1|2,0,0]=4 3623 B14R2.11625 COc1nccnc1C#CC2CC2 271570a_200009880635_100000749998 [0,0,0,1,0,1|0,0,1]=3 3624 B14R2.11625 COc1nccnc1C=CC2CC2 271570a_100102526188_100000749998 [0,0,0,1,0,1|0,0,1]=3 3625 B14R2.11625 COc1nccnc1NCC2CC2 27a_100000735609_100009858322 [0,0,0,1,0,1|0,0,0]=2 3626 B14R2.11625 COc1nccnc1SCC2CC2 62a_100000756562_100000749998 [0,0,0,1,0,1|0,0,0]=2 3627 B14R2.11625 COc1nccnc1SCC2CC2 62a_100009858322_100000742324 [0,0,0,1,0,1|0,0,0]=2 3628 B14R2.11625 COc1nccnc1SCC2CO2 62a_100009858322_102125554688 [0,0,0,1,0,1|1,0,0]=3 3629 B14R2.11625 COc1nccnc1SCC2CO2 62a_102125554688_100000749998 [0,0,0,1,0,1|1,0,0]=3 3630 B14R2.11625 COc1nccnc1SCC2CS2 62a_100000031435_100000749998 [0,0,0,1,0,1|1,0,0]=3 3631 B14R2.11625 COc1nccnc1SCC2CS2 62a_100009858322_100000031435 [0,0,0,1,0,1|1,0,0]=3 3632 B14R2.11625 COc1nccnc1SC[C@@H]2CO2 62a_100000745022_100000749998 [0,0,0,1,0,1|1,0,0]=3 3633 B14R2.11625 COc1nccnc1SC[C@@H]2CO2 62a_100009858322_100000745022 [0,0,0,1,0,1|1,0,0]=3 3634 B14R2.11625 COc1ncncc1SCC2CC2 62a_100000719902_100000742324 [0,0,0,1,0,1|2,0,0]=4 3635 B14R2.11625 COc1ncncc1SCC2CC2 62a_100000756562_100000719902 [0,0,0,1,0,1|2,0,0]=4 3636 B14R2.11625 CSc1cccnc1OCC2CC2 62a_100011465199_200000210301 [0,0,0,1,0,1|1,1,0]=4 3637 B14R2.11625 CSc1cccnc1OCC2CC2 62a_200000210301_100011465199 [0,0,0,1,0,1|1,1,0]=4 3638 B14R2.11625 CSc1ncccc1SCC2CC2 62a_100000756562_100011465278 [0,0,0,1,0,1|1,1,0]=4 3639 B14R2.11625 CSc1ncccc1SCC2CC2 62a_100011465278_100000742324 [0,0,0,1,0,1|1,1,0]=4 3640 B14R2.11625 N#Cc1nccnc1NCC2CC2 27a_100000735609_100000040484 [0,0,0,1,0,1|2,0,0]=4 3641 B14R2.11625 N#Cc1nccnc1SCC2CC2 62a_100000756562_100000040484 [0,0,0,1,0,1|2,0,0]=4 3642 B14R2.11625 NCc1nccnc1SCC2CC2 62a_100000729963_100000742324 [0,0,0,1,0,1|2,0,0]=4 3643 B14R2.11625 NCc1nccnc1SCC2CC2 62a_100000756562_100000729963 [0,0,0,1,0,1|2,0,0]=4 3644 B14R2.11625 NNc1nccnc1SCC2CC2 62a_100000756562_100000755098 [0,0,0,1,0,1|2,0,0]=4 3645 B14R2.11625 O=Cc1nccnc1SCC2CC2 62a_100000051000_100000742324 [0,0,0,1,0,1|2,0,0]=4 3646 B14R2.11625 O=Cc1nccnc1SCC2CC2 62a_100000756562_100000051000 [0,0,0,1,0,1|2,0,0]=4 3647 B14R2.11625 OCc1nccnc1SCC2CC2 62a_100000057004_100000742324 [0,0,0,1,0,1|2,0,0]=4 3648 B14R2.11625 OCc1nccnc1SCC2CC2 62a_100000756562_100000057004 [0,0,0,1,0,1|2,0,0]=4 3649 B14R2.11625 [13CH3]Sc1cccnc1OCC2CC2 62a_100011465199_200025704644 [0,0,0,1,0,1|1,1,0]=4 3650 B14R2.11625 [13CH3]Sc1cccnc1OCC2CC2 62a_200025704644_100011465199 [0,0,0,1,0,1|1,1,0]=4 3651 B14R2.117 COc1cc(cnc1OC2CC2)Cl 34a_200009845368_100000211595 [0,1,0,1,0,0|2,0,0]=4 3652 B14R2.117 COc1cc(cnc1SC2CC2)F 62a_100010136273_100000211595 [0,1,0,1,0,0|2,0,0]=4 3653 B14R2.117 COc1cc(cnc1SC2CC2)N 62a_200010291755_100000211595 [0,1,0,1,0,0|2,0,0]=4 3654 B14R2.117 COc1nc(ccc1OC2CC2)Br 34a_100010893133_100000211595 [0,1,0,1,0,0|2,0,0]=4 3655 B14R2.117 COc1nc(ccc1SC2CC2)C 62a_100010138632_100000211595 [0,1,0,1,0,0|2,0,0]=4 3656 B14R2.117 COc1nc(ccc1SC2CC2)N 62a_100010187630_100000211595 [0,1,0,1,0,0|2,0,0]=4 3657 B14R2.117 COc1nc(cnc1SC2CC2)Br 62a_100010214903_100000211595 [0,1,0,1,0,0|1,0,0]=3 3658 B14R2.117 COc1nc(cnc1SC2CC2)N 62a_100010128448_100000211595 [0,1,0,1,0,0|1,0,0]=3 3659 B14R2.148 CCc1nccnc1N2CCC2C 27a_100000755817_100011995844 [0,1,0,1,0,0|2,0,0]=4 3660 B14R2.148 COc1nccnc1N2CCC2C 27a_100000755817_100009858322 [0,1,0,1,0,0|1,0,0]=3 3661 B14R2.3348 C=C(c1cccnc1OC)C2CC2 271570a_100010895485_100000047025 [0,1,0,1,0,0|1,0,1]=4 3662 B14R2.3348 C=C(c1ncccc1OC)C2CC2 271570a_100010895485_100000690851 [0,1,0,1,0,0|1,0,1]=4 3663 B14R2.3348 C=C(c1nccnc1CC)C2CC2 271570a_100010895485_100011995844 [0,1,0,1,0,0|1,0,1]=4 3664 B14R2.3348 C=C(c1nccnc1NC)C2CC2 271570a_100010895485_100011529439 [0,1,0,1,0,0|1,0,1]=4 3665 B14R2.3348 C=C(c1nccnc1OC)C2CC2 271570a_100010895485_100000749998 [0,1,0,1,0,0|0,0,1]=3 3666 B14R2.3348 CCc1nccnc1N(C)C2CC2 27a_100000226674_100011995844 [0,1,0,1,0,0|2,0,0]=4 3667 B14R2.3348 COc1nccnc1N(C)C2CC2 27a_100000226674_100009858322 [0,1,0,1,0,0|1,0,0]=3 3668 B14R2.1914 CCc1nccnc1NC2CCC2 27a_100000749019_100011995844 [0,1,0,1,0,0|2,0,0]=4 3669 B14R2.1914 CCc1nccnc1NC2COC2 27a_100016991112_100011995844 [0,1,0,1,0,0|2,0,0]=4 3670 B14R2.1914 CCc1nccnc1NC2CSC2 27a_100016994217_100011995844 [0,1,0,1,0,0|2,0,0]=4 3671 B14R2.1914 CCc1nccnc1SC2CCC2 62a_100011995844_100000749161 [0,1,0,1,0,0|2,0,0]=4 3672 B14R2.1914 CCc1nccnc1SC2COC2 62a_100011995844_100009818527 [0,1,0,1,0,0|2,0,0]=4 3673 B14R2.1914 COc1cccnc1OC2CCC2 34a_100025773188_100000749161 [0,1,0,1,0,0|2,0,0]=4 3674 B14R2.1914 COc1cccnc1OC2COC2 34a_100025773188_100009818527 [0,1,0,1,0,0|2,0,0]=4 3675 B14R2.1914 COc1cccnc1SC2CCC2 62a_100000767102_100000749161 [0,1,0,1,0,0|2,0,0]=4 3676 B14R2.1914 COc1cccnc1SC2COC2 62a_100000767102_100009818527 [0,1,0,1,0,0|2,0,0]=4 3677 B14R2.1914 COc1ncccc1OC2CCC2 34a_100000698397_100000749161 [0,1,0,1,0,0|2,0,0]=4 3678 B14R2.1914 COc1ncccc1OC2COC2 34a_100000698397_100009818527 [0,1,0,1,0,0|2,0,0]=4 3679 B14R2.1914 COc1ncccc1OC2COC2 7a_100000698397_100009818527 [0,1,0,1,0,0|2,0,0]=4 3680 B14R2.1914 COc1ncccc1SC2CCC2 62a_100000047025_100000749161 [0,1,0,1,0,0|2,0,0]=4 3681 B14R2.1914 COc1ncccc1SC2COC2 62a_100000047025_100009818527 [0,1,0,1,0,0|2,0,0]=4 3682 B14R2.1914 COc1nccnc1NC2CCC2 27a_100000749019_100009858322 [0,1,0,1,0,0|1,0,0]=3 3683 B14R2.1914 COc1nccnc1NC2COC2 27a_100016991112_100009858322 [0,1,0,1,0,0|1,0,0]=3 3684 B14R2.1914 COc1nccnc1NC2CSC2 27a_100016994217_100009858322 [0,1,0,1,0,0|1,0,0]=3 3685 B14R2.1914 COc1nccnc1SC2CCC2 62a_100009858322_100000749161 [0,1,0,1,0,0|1,0,0]=3 3686 B14R2.1914 COc1nccnc1SC2COC2 62a_100009858322_100009818527 [0,1,0,1,0,0|1,0,0]=3 3687 B14R2.2968 CCc1nccnc1NC2(CC2)C 27a_100000757604_100011995844 [0,1,0,1,0,0|2,0,0]=4 3688 B14R2.2968 COc1nccnc1NC2(CC2)C 27a_100000757604_100009858322 [0,1,0,1,0,0|1,0,0]=3 3689 B14R2.3574 COc1c(ccnc1SC2CC2)N 62a_100000104429_100000211595 [0,1,0,1,0,0|2,0,0]=4 3690 B14R2.3005 CC1(Cc2ccccc2C1O[13CH3])C 34a_200012242764_200025704644 [0,1,0,1,0,0|2,0,0]=4 3691 B14R2.3005 CC1(Cc2ccccc2C1O[13CH3])C 7a_200012242764_200025704644 [0,1,0,1,0,0|2,0,0]=4 3692 B14R2.3005 COC1c2ccccc2CC1(C)C 34a_200012242764_200000210301 [0,1,0,1,0,0|2,0,0]=4 3693 B14R2.3005 COC1c2ccccc2CC1(C)C 7a_200012242764_200000210301 [0,1,0,1,0,0|2,0,0]=4 3694 B14R2.3102 CCOc1cccnc1SC2CC2 62a_100011597540_100000211595 [0,1,0,1,0,0|2,0,0]=4 3695 B14R2.3102 CCOc1ncccc1OC2CC2 34a_100011998697_100000211595 [0,1,0,1,0,0|2,0,0]=4 3696 B14R2.3102 CCOc1ncccc1SC2CC2 62a_100011465154_100000211595 [0,1,0,1,0,0|2,0,0]=4 3697 B14R2.3102 CCOc1nccnc1NC2CC2 27a_100000212008_200010128176 [0,1,0,1,0,0|1,0,0]=3 3698 B14R2.3102 CCOc1nccnc1SC2CC2 62a_200010128176_100000211595 [0,1,0,1,0,0|1,0,0]=3 3699 B14R2.9513 CC(=O)c1nccnc1NC2CC2 27a_100000212008_100000099859 [0,1,0,1,0,0|2,0,0]=4 3700 B14R2.9513 CC(=O)c1nccnc1SC2CC2 62a_100000099859_100000211595 [0,1,0,1,0,0|2,0,0]=4 3701 B14R2.9513 CN(C)c1nccnc1NC2CC2 27a_100000212008_100000703087 [0,1,0,1,0,0|2,0,0]=4 3702 B14R2.1201 COc1nccc(c1SC2CC2)C 62a_100012353928_100000211595 [0,1,0,1,0,0|2,0,0]=4 3703 B14R2.1201 COc1nccc(c1SC2CC2)N 62a_100010243811_100000211595 [0,1,0,1,0,0|2,0,0]=4 3704 B14R2.104 COc1ccc(nc1SC2CC2)C 62a_100009820875_100000211595 [0,1,0,1,0,0|2,0,0]=4 3705 B14R2.104 COc1ccc(nc1SC2CC2)N 62a_100010172607_100000211595 [0,1,0,1,0,0|2,0,0]=4 3706 B14R2.104 COc1ncc(cc1OC2CC2)Br 34a_100010135713_100000211595 [0,1,0,1,0,0|2,0,0]=4 3707 B14R2.104 COc1ncc(cc1SC2CC2)Br 62a_100009814608_100000211595 [0,1,0,1,0,0|2,0,0]=4 3708 B14R2.104 COc1ncc(cc1SC2CC2)C 62a_100012353929_100000211595 [0,1,0,1,0,0|2,0,0]=4 3709 B14R2.104 COc1ncc(cc1SC2CC2)F 62a_100009828472_100000211595 [0,1,0,1,0,0|2,0,0]=4 3710 B14R2.104 COc1ncc(cc1SC2CC2)N 62a_100012351452_100000211595 [0,1,0,1,0,0|2,0,0]=4 3711 B10R1.5 CCSc1c[nH]nc1OC 62a_100000210202_100010982843 [1,0,0,0,1,0|2,0,0]=4 3712 B10R1.5 CNCc1occc1OC 207a_100102657272_200009856553 [1,0,0,0,1,0|2,0,0]=4 3713 B10R1.5 CNCc1occc1OC 270004a_106832991635_200009856553 [1,0,0,0,1,0|2,0,0]=4 3714 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [1,0,0,0,1,0|2,0,0]=4 3715 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [1,0,0,0,1,0|2,0,0]=4 3716 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [1,0,0,0,1,0|0,0,2]=4 3717 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,0,0,0,1,0|1,0,1]=4 3718 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,1,0|2,0,0]=4 3719 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,0,0,0,1,0|1,0,0]=3 3720 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [1,0,0,0,1,0|2,0,0]=4 3721 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,0,0,0,1,0|2,0,0]=4 3722 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,0,0,0,1,0|2,0,0]=4 3723 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [1,0,0,0,1,0|2,0,0]=4 3724 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [1,0,0,0,1,0|2,0,0]=4 3725 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [1,0,0,0,1,0|1,0,0]=3 3726 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,0,0,0,1,0|2,0,0]=4 3727 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [1,0,0,0,1,0|1,0,0]=3 3728 B10R1.64 CC(C)Nc1ncnn1C 27a_100138425928_100000732653 [1,0,0,0,1,0|2,0,0]=4 3729 B10R1.64 CC(C)Oc1ccnn1C 34a_100020632926_100000210206 [1,0,0,0,1,0|2,0,0]=4 3730 B10R1.64 CC(C)Sc1ccnn1C 62a_100000210206_100000688441 [1,0,0,0,1,0|2,0,0]=4 3731 B10R1.64 CC(C)Sc1ccnn1C 62a_100000688441_100000210206 [1,0,0,0,1,0|2,0,0]=4 3732 B10R1.64 CC(C)Sc1nccn1C 62a_100000210206_100000707724 [1,0,0,0,1,0|2,0,0]=4 3733 B10R1.64 CC(C)Sc1nccn1C 62a_100000707724_100000210206 [1,0,0,0,1,0|2,0,0]=4 3734 B10R1.64 CC(C)Sc1ncnn1C 62a_100000210206_100000732653 [1,0,0,0,1,0|2,0,0]=4 3735 B10R1.64 CC(C)Sc1ncnn1C 62a_100000732653_100000210206 [1,0,0,0,1,0|2,0,0]=4 3736 B10R1.64 CN(C)Cc1ccnn1C 2230a_100000723423_200000210301 [1,0,0,0,1,0|2,0,0]=4 3737 B10R1.64 CN(C)Cc1ccnn1C 2230a_100102631434_100000691648 [1,0,0,0,1,0|2,0,0]=4 3738 B10R1.64 CN(C)Cc1ccnn1C 269982a_100000723423_200000210301 [1,0,0,0,1,0|2,0,0]=4 3739 B10R1.64 CN(C)Cc1ccnn1C 269982a_100102631434_100000691648 [1,0,0,0,1,0|2,0,0]=4 3740 B10R1.64 CN(C)Cc1ccnn1C 270004a_100102631434_100000737161 [1,0,0,0,1,0|2,0,0]=4 3741 B10R1.64 CN(C)Cc1nccn1C 2230a_100102631434_100000700302 [1,0,0,0,1,0|2,0,0]=4 3742 B10R1.64 CN(C)Cc1nccn1C 269982a_100102631434_100000700302 [1,0,0,0,1,0|2,0,0]=4 3743 B10R1.64 CN(C)Cc1nccn1C 270004a_100102631434_100000748660 [1,0,0,0,1,0|2,0,0]=4 3744 B10R1.64 CN([13CH3])Cc1ccnn1C 2230a_100000723423_200025704644 [1,0,0,0,1,0|2,0,0]=4 3745 B10R1.64 CN([13CH3])Cc1ccnn1C 269982a_100000723423_200025704644 [1,0,0,0,1,0|2,0,0]=4 3746 B10R1.64 Cc1[nH]cnc1CN(C)C 2230a_100102631434_100000751220 [1,0,0,0,1,0|1,0,1]=4 3747 B10R1.64 Cc1[nH]cnc1CN(C)C 269982a_100102631434_100000751220 [1,0,0,0,1,0|1,0,1]=4 3748 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100000210206_100010186451 [1,0,0,0,1,0|1,0,1]=4 3749 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100010186451_100000210206 [1,0,0,0,1,0|1,0,1]=4 3750 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100000210206_100009871783 [1,0,0,0,1,0|2,0,0]=4 3751 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100009871783_100000210206 [1,0,0,0,1,0|2,0,0]=4 3752 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [1,0,0,0,1,0|2,0,0]=4 3753 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [1,0,0,0,1,0|2,0,0]=4 3754 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [1,0,0,0,1,0|2,0,0]=4 3755 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [1,0,0,0,1,0|2,0,0]=4 3756 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [1,0,0,0,1,0|2,0,0]=4 3757 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [1,0,0,0,1,0|2,0,0]=4 3758 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [1,0,0,0,1,0|2,0,0]=4 3759 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [1,0,0,0,1,0|2,0,0]=4 3760 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [1,0,0,0,1,0|2,0,0]=4 3761 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [1,0,0,0,1,0|2,0,0]=4 3762 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [1,0,0,0,1,0|2,0,0]=4 3763 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [1,0,0,0,1,0|2,0,0]=4 3764 B10R1.64 Cc1n[nH]cc1CN(C)C 2230a_100020588691_200000210301 [1,0,0,0,1,0|2,0,0]=4 3765 B10R1.64 Cc1n[nH]cc1CN(C)C 269982a_100020588691_200000210301 [1,0,0,0,1,0|2,0,0]=4 3766 B10R1.64 Cc1n[nH]cc1CN(C)[13CH3] 2230a_100020588691_200025704644 [1,0,0,0,1,0|2,0,0]=4 3767 B10R1.64 Cc1n[nH]cc1CN(C)[13CH3] 269982a_100020588691_200025704644 [1,0,0,0,1,0|2,0,0]=4 3768 B10R1.64 Cc1n[nH]cc1SC(C)C 62a_100000210206_100000692133 [1,0,0,0,1,0|2,0,0]=4 3769 B10R1.64 Cc1n[nH]cc1SC(C)C 62a_100000692133_100000210206 [1,0,0,0,1,0|2,0,0]=4 3770 B10R1.64 Cc1ncsc1SC(C)C 62a_100000210206_100009817116 [1,0,0,0,1,0|2,0,0]=4 3771 B10R1.64 Cc1ncsc1SC(C)C 62a_100009817116_100000210206 [1,0,0,0,1,0|2,0,0]=4 3772 B10R1.64 Cc1nonc1CN(C)C 2230a_100102631434_200000044682 [1,0,0,0,1,0|2,0,0]=4 3773 B10R1.64 Cc1nonc1CN(C)C 2230a_200016994989_200000210301 [1,0,0,0,1,0|2,0,0]=4 3774 B10R1.64 Cc1nonc1CN(C)C 269982a_100102631434_200000044682 [1,0,0,0,1,0|2,0,0]=4 3775 B10R1.64 Cc1nonc1CN(C)C 269982a_200016994989_200000210301 [1,0,0,0,1,0|2,0,0]=4 3776 B10R1.64 Cc1nonc1CN(C)[13CH3] 2230a_200016994989_200025704644 [1,0,0,0,1,0|2,0,0]=4 3777 B10R1.64 Cc1nonc1CN(C)[13CH3] 269982a_200016994989_200025704644 [1,0,0,0,1,0|2,0,0]=4 3778 B10R1.64 Cc1occc1CN(C)C 2230a_100000745204_200000210301 [1,0,0,0,1,0|2,0,0]=4 3779 B10R1.64 Cc1occc1CN(C)C 269982a_100000745204_200000210301 [1,0,0,0,1,0|2,0,0]=4 3780 B10R1.64 Cc1occc1CN(C)[13CH3] 2230a_100000745204_200025704644 [1,0,0,0,1,0|2,0,0]=4 3781 B10R1.64 Cc1occc1CN(C)[13CH3] 269982a_100000745204_200025704644 [1,0,0,0,1,0|2,0,0]=4 3782 B10R1.64 Cc1ocnc1CN(C)C 2230a_100102631434_200000693990 [1,0,0,0,1,0|2,0,0]=4 3783 B10R1.64 Cc1sccc1SC(C)C 62a_100000210206_100000684487 [1,0,0,0,1,0|2,0,0]=4 3784 B10R1.64 Cc1sccc1SC(C)C 62a_100000684487_100000210206 [1,0,0,0,1,0|2,0,0]=4 3785 B10R1.64 Cc1scnc1SC(C)C 62a_100000210206_100000732656 [1,0,0,0,1,0|2,0,0]=4 3786 B10R1.64 Cc1scnc1SC(C)C 62a_100000732656_100000210206 [1,0,0,0,1,0|2,0,0]=4 3787 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_100009820211_200025704644 [0,0,0,0,2,0|1,1,0]=4 3788 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_200025704644_100009820211 [0,0,0,0,2,0|1,1,0]=4 3789 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_100010264481_200025704644 [0,0,0,0,2,0|1,1,0]=4 3790 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_200025704644_100010264481 [0,0,0,0,2,0|1,1,0]=4 3791 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_100009989917_200025704644 [0,0,0,0,2,0|1,1,0]=4 3792 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_200025704644_100009989917 [0,0,0,0,2,0|1,1,0]=4 3793 B10R1.39 CNc1ccnn1C(C)C 27a_100102657272_100010264481 [0,0,0,0,2,0|2,0,0]=4 3794 B10R1.39 CNc1ncnn1C(C)C 27a_100102657272_100009989917 [0,0,0,0,2,0|2,0,0]=4 3795 B10R1.39 CSc1ccnn1C(C)C 62a_100010264481_200000210301 [0,0,0,0,2,0|1,1,0]=4 3796 B10R1.39 CSc1ccnn1C(C)C 62a_200000210301_100010264481 [0,0,0,0,2,0|1,1,0]=4 3797 B10R1.39 CSc1nccn1C(C)C 62a_100009820211_200000210301 [0,0,0,0,2,0|1,1,0]=4 3798 B10R1.39 CSc1nccn1C(C)C 62a_200000210301_100009820211 [0,0,0,0,2,0|1,1,0]=4 3799 B10R1.39 CSc1ncnn1C(C)C 62a_100009989917_200000210301 [0,0,0,0,2,0|1,1,0]=4 3800 B10R1.39 CSc1ncnn1C(C)C 62a_200000210301_100009989917 [0,0,0,0,2,0|1,1,0]=4 3801 B14R1.96 C=C(C)CCSc1nccnc1OC 62a_100000730704_100000749998 [0,0,0,0,0,2|0,0,2]=4 3802 B14R1.96 C=C(C)CCSc1nccnc1OC 62a_100009858322_100000730704 [0,0,0,0,0,2|0,0,2]=4 3803 B14R1.96 CC(C)CC=Cc1nccnc1C#N 271570a_100016259101_100000040484 [0,0,0,0,0,2|2,0,0]=4 3804 B14R1.96 CC(C)CC=Cc1nccnc1CN 271570a_100016259101_100000729963 [0,0,0,0,0,2|2,0,0]=4 3805 B14R1.96 CC(C)CC=Cc1nccnc1CO 271570a_100016259101_100000057004 [0,0,0,0,0,2|2,0,0]=4 3806 B14R1.96 CC(C)CC=Cc1nccnc1NN 271570a_100016259101_100000755098 [0,0,0,0,0,2|2,0,0]=4 3807 B14R1.96 CC(C)CCNc1nccnc1C#N 27a_100000210545_100000040484 [0,0,0,0,0,2|2,0,0]=4 3808 B14R1.96 CC(C)CCSc1nccnc1C#N 62a_100000210312_100000040484 [0,0,0,0,0,2|2,0,0]=4 3809 B14R1.96 CC(C)CCSc1nccnc1C=O 62a_100000051000_100000210312 [0,0,0,0,0,2|2,0,0]=4 3810 B14R1.96 CC(C)CCSc1nccnc1C=O 62a_100000210312_100000051000 [0,0,0,0,0,2|2,0,0]=4 3811 B14R1.96 CC(C)CCSc1nccnc1CN 62a_100000210312_100000729963 [0,0,0,0,0,2|2,0,0]=4 3812 B14R1.96 CC(C)CCSc1nccnc1CN 62a_100000729963_100000210312 [0,0,0,0,0,2|2,0,0]=4 3813 B14R1.96 CC(C)CCSc1nccnc1CO 62a_100000057004_100000210312 [0,0,0,0,0,2|2,0,0]=4 3814 B14R1.96 CC(C)CCSc1nccnc1CO 62a_100000210312_100000057004 [0,0,0,0,0,2|2,0,0]=4 3815 B14R1.96 CC(C)CCSc1nccnc1NN 62a_100000210312_100000755098 [0,0,0,0,0,2|2,0,0]=4 3816 B14R1.96 CC(C)OCSc1nccnc1C#N 62a_100000709892_100000040484 [0,0,0,0,0,2|2,0,0]=4 3817 B14R1.96 CC(C)OCSc1nccnc1C=O 62a_100000051000_100000709892 [0,0,0,0,0,2|2,0,0]=4 3818 B14R1.96 CC(C)OCSc1nccnc1C=O 62a_100000709892_100000051000 [0,0,0,0,0,2|2,0,0]=4 3819 B14R1.96 CC(C)OCSc1nccnc1CN 62a_100000709892_100000729963 [0,0,0,0,0,2|2,0,0]=4 3820 B14R1.96 CC(C)OCSc1nccnc1CN 62a_100000729963_100000709892 [0,0,0,0,0,2|2,0,0]=4 3821 B14R1.96 CC(C)OCSc1nccnc1CO 62a_100000057004_100000709892 [0,0,0,0,0,2|2,0,0]=4 3822 B14R1.96 CC(C)OCSc1nccnc1CO 62a_100000709892_100000057004 [0,0,0,0,0,2|2,0,0]=4 3823 B14R1.96 CC(C)OCSc1nccnc1NN 62a_100000709892_100000755098 [0,0,0,0,0,2|2,0,0]=4 3824 B14R1.96 CCc1ncccc1C=CCC(C)C 271570a_100016259101_100009877225 [0,0,0,0,0,2|2,0,0]=4 3825 B14R1.96 CCc1ncccc1SCCC(C)C 62a_100000210312_100009877225 [0,0,0,0,0,2|2,0,0]=4 3826 B14R1.96 CCc1ncccc1SCCC(C)C 62a_100009877225_100000210312 [0,0,0,0,0,2|2,0,0]=4 3827 B14R1.96 CCc1ncccc1SCOC(C)C 62a_100000709892_100009877225 [0,0,0,0,0,2|2,0,0]=4 3828 B14R1.96 CCc1ncccc1SCOC(C)C 62a_100009877225_100000709892 [0,0,0,0,0,2|2,0,0]=4 3829 B14R1.96 CCc1nccnc1C=CCC(C)C 271570a_100016259101_100011995844 [0,0,0,0,0,2|1,0,0]=3 3830 B14R1.96 CCc1nccnc1NCC=C(C)C 27a_100000718196_100011995844 [0,0,0,0,0,2|1,0,1]=4 3831 B14R1.96 CCc1nccnc1NCCC(C)C 27a_100000210545_100011995844 [0,0,0,0,0,2|1,0,0]=3 3832 B14R1.96 CCc1nccnc1NCCC(C)O 27a_200000755665_100011995844 [0,0,0,0,0,2|2,0,0]=4 3833 B14R1.96 CCc1nccnc1NCCN(C)C 27a_100000210585_100011995844 [0,0,0,0,0,2|2,0,0]=4 3834 B14R1.96 CCc1nccnc1SCC=C(C)C 62a_100000761012_100011995844 [0,0,0,0,0,2|1,0,1]=4 3835 B14R1.96 CCc1nccnc1SCC=C(C)C 62a_100011995844_100000761012 [0,0,0,0,0,2|1,0,1]=4 3836 B14R1.96 CCc1nccnc1SCCC(C)C 62a_100000210312_100011995844 [0,0,0,0,0,2|1,0,0]=3 3837 B14R1.96 CCc1nccnc1SCCC(C)C 62a_100011995844_100000210312 [0,0,0,0,0,2|1,0,0]=3 3838 B14R1.96 CCc1nccnc1SCCC(C)O 62a_100011995844_100012276601 [0,0,0,0,0,2|2,0,0]=4 3839 B14R1.96 CCc1nccnc1SCCC(C)O 62a_100012276601_100011995844 [0,0,0,0,0,2|2,0,0]=4 3840 B14R1.96 CCc1nccnc1SCCN(C)C 62a_100011995844_100000755713 [0,0,0,0,0,2|2,0,0]=4 3841 B14R1.96 CCc1nccnc1SCOC(C)C 62a_100000709892_100011995844 [0,0,0,0,0,2|1,0,0]=3 3842 B14R1.96 CCc1nccnc1SCOC(C)C 62a_100011995844_100000709892 [0,0,0,0,0,2|1,0,0]=3 3843 B14R1.96 CNc1cccnc1C=CCC(C)C 271570a_100016259101_200011806188 [0,0,0,0,0,2|2,0,0]=4 3844 B14R1.96 CNc1cccnc1SCCC(C)C 62a_100000210312_200011806188 [0,0,0,0,0,2|2,0,0]=4 3845 B14R1.96 CNc1cccnc1SCOC(C)C 62a_100000709892_200011806188 [0,0,0,0,0,2|2,0,0]=4 3846 B14R1.96 CNc1ncccc1C=CCC(C)C 271570a_100016259101_100000700899 [0,0,0,0,0,2|2,0,0]=4 3847 B14R1.96 CNc1ncccc1SCCC(C)C 62a_100000210312_100000700899 [0,0,0,0,0,2|2,0,0]=4 3848 B14R1.96 CNc1ncccc1SCCC(C)C 62a_100000700899_100000210312 [0,0,0,0,0,2|2,0,0]=4 3849 B14R1.96 CNc1ncccc1SCOC(C)C 62a_100000700899_100000709892 [0,0,0,0,0,2|2,0,0]=4 3850 B14R1.96 CNc1ncccc1SCOC(C)C 62a_100000709892_100000700899 [0,0,0,0,0,2|2,0,0]=4 3851 B14R1.96 CNc1nccnc1C=CCC(C)C 271570a_100016259101_100011529439 [0,0,0,0,0,2|1,0,0]=3 3852 B14R1.96 CNc1nccnc1SCC=C(C)C 62a_100000761012_100011529439 [0,0,0,0,0,2|1,0,1]=4 3853 B14R1.96 CNc1nccnc1SCCC(C)C 62a_100000210312_100011529439 [0,0,0,0,0,2|1,0,0]=3 3854 B14R1.96 CNc1nccnc1SCCC(C)O 62a_100012276601_100011529439 [0,0,0,0,0,2|2,0,0]=4 3855 B14R1.96 CNc1nccnc1SCOC(C)C 62a_100000709892_100011529439 [0,0,0,0,0,2|1,0,0]=3 3856 B14R1.96 COc1ccccc1C=CCC(C)C 271570a_100016259101_100000174000 [0,0,0,0,0,2|2,0,0]=4 3857 B14R1.96 COc1ccccc1CCNC(C)C 2230a_100000211851_100000210206 [0,0,0,0,0,2|2,0,0]=4 3858 B14R1.96 COc1ccccc1CCNC(C)C 2230a_100138425928_100011713687 [0,0,0,0,0,2|2,0,0]=4 3859 B14R1.96 COc1ccccc1CCNC(C)C 34a_100000211851_100000210206 [0,0,0,0,0,2|2,0,0]=4 3860 B14R1.96 COc1ccccc1CCNC(C)C 34a_100138425928_100011713687 [0,0,0,0,0,2|2,0,0]=4 3861 B14R1.96 COc1ccccc1CCOC(C)C 34a_100000212225_100011713687 [0,0,0,0,0,2|2,0,0]=4 3862 B14R1.96 COc1ccccc1CCOC(C)C 34a_100011218620_100000210206 [0,0,0,0,0,2|2,0,0]=4 3863 B14R1.96 COc1ccccc1CCOC(C)C 7a_100011218620_100000210206 [0,0,0,0,0,2|2,0,0]=4 3864 B14R1.96 COc1ccccc1CCSC(C)C 62a_100000210206_100011713687 [0,0,0,0,0,2|2,0,0]=4 3865 B14R1.96 COc1ccccc1CCSC(C)C 62a_100011713687_100000210206 [0,0,0,0,0,2|2,0,0]=4 3866 B14R1.96 COc1ccccc1CNCC(C)C 207a_100000210953_100000169842 [0,0,0,0,0,2|2,0,0]=4 3867 B14R1.96 COc1ccccc1CNCC(C)C 2230a_100000210953_100000210004 [0,0,0,0,0,2|2,0,0]=4 3868 B14R1.96 COc1ccccc1CNCC(C)C 270004a_100000188900_100000210432 [0,0,0,0,0,2|2,0,0]=4 3869 B14R1.96 COc1ccccc1CNCC(C)C 270004a_100000210953_100000169842 [0,0,0,0,0,2|2,0,0]=4 3870 B14R1.96 COc1ccccc1CNCC(C)C 34a_100000188900_100000210624 [0,0,0,0,0,2|2,0,0]=4 3871 B14R1.96 COc1ccccc1CNCC(C)C 34a_100000210953_100000210004 [0,0,0,0,0,2|2,0,0]=4 3872 B14R1.96 COc1ccccc1COCC(C)C 34a_100000210257_100000210004 [0,0,0,0,0,2|2,0,0]=4 3873 B14R1.96 COc1ccccc1COCC(C)C 34a_100000211301_100000210624 [0,0,0,0,0,2|2,0,0]=4 3874 B14R1.96 COc1ccccc1CSCC(C)C 62a_100000210004_100000210760 [0,0,0,0,0,2|2,0,0]=4 3875 B14R1.96 COc1ccccc1CSCC(C)C 62a_100000210624_100000210004 [0,0,0,0,0,2|2,0,0]=4 3876 B14R1.96 COc1ccccc1NCCC(C)C 34a_100000210025_100000210312 [0,0,0,0,0,2|2,0,0]=4 3877 B14R1.96 COc1ccccc1NCOC(C)C 34a_100000210025_100000709892 [0,0,0,0,0,2|2,0,0]=4 3878 B14R1.96 COc1ccccc1OCCC(C)C 34a_100000210385_100000210312 [0,0,0,0,0,2|2,0,0]=4 3879 B14R1.96 COc1ccccc1OCOC(C)C 34a_100000210385_100000709892 [0,0,0,0,0,2|2,0,0]=4 3880 B14R1.96 COc1ccccc1SCCC(C)C 62a_100000210312_100000210334 [0,0,0,0,0,2|2,0,0]=4 3881 B14R1.96 COc1ccccc1SCCC(C)C 62a_100000210334_100000210312 [0,0,0,0,0,2|2,0,0]=4 3882 B14R1.96 COc1ccccc1SCOC(C)C 62a_100000210334_100000709892 [0,0,0,0,0,2|2,0,0]=4 3883 B14R1.96 COc1ccccc1SCOC(C)C 62a_100000709892_100000210334 [0,0,0,0,0,2|2,0,0]=4 3884 B14R1.96 COc1cccnc1C=CCC(C)C 271570a_100016259101_100000690851 [0,0,0,0,0,2|1,0,0]=3 3885 B14R1.96 COc1cccnc1C=NNC(C)C 4a_100000741168_100011912573 [0,0,0,0,0,2|1,0,1]=4 3886 B14R1.96 COc1cccnc1CNCC(C)C 207a_100000210953_100011912573 [0,0,0,0,0,2|1,0,0]=3 3887 B14R1.96 COc1cccnc1CNCC(C)C 270004a_100000210953_100011912573 [0,0,0,0,0,2|1,0,0]=3 3888 B14R1.96 COc1cccnc1CNCC(C)O 207a_100000210904_100011912573 [0,0,0,0,0,2|2,0,0]=4 3889 B14R1.96 COc1cccnc1CNCC(C)O 270004a_100000210904_100011912573 [0,0,0,0,0,2|2,0,0]=4 3890 B14R1.96 COc1cccnc1COCC(C)C 34a_100011998681_100000210624 [0,0,0,0,0,2|1,0,0]=3 3891 B14R1.96 COc1cccnc1COCC(C)O 34a_100011998681_100011218427 [0,0,0,0,0,2|2,0,0]=4 3892 B14R1.96 COc1cccnc1COC[C@@H](C)O 34a_100011998681_100009817552 [0,0,0,0,0,2|2,0,0]=4 3893 B14R1.96 COc1cccnc1NN=CC(C)C 4a_100012020716_100000210432 [0,0,0,0,0,2|1,0,1]=4 3894 B14R1.96 COc1cccnc1OCC=C(C)C 34a_100025773188_100000761012 [0,0,0,0,0,2|1,0,1]=4 3895 B14R1.96 COc1cccnc1OCCC(C)C 34a_100025773188_100000210312 [0,0,0,0,0,2|1,0,0]=3 3896 B14R1.96 COc1cccnc1OCCC(C)O 34a_100025773188_100012276601 [0,0,0,0,0,2|2,0,0]=4 3897 B14R1.96 COc1cccnc1OCOC(C)C 34a_100025773188_100000709892 [0,0,0,0,0,2|1,0,0]=3 3898 B14R1.96 COc1cccnc1SCC=C(C)C 62a_100000761012_100000690851 [0,0,0,0,0,2|1,0,1]=4 3899 B14R1.96 COc1cccnc1SCC=C(C)C 62a_100000767102_100000761012 [0,0,0,0,0,2|1,0,1]=4 3900 B14R1.96 COc1cccnc1SCCC(C)C 62a_100000210312_100000690851 [0,0,0,0,0,2|1,0,0]=3 3901 B14R1.96 COc1cccnc1SCCC(C)C 62a_100000767102_100000210312 [0,0,0,0,0,2|1,0,0]=3 3902 B14R1.96 COc1cccnc1SCCC(C)O 62a_100000767102_100012276601 [0,0,0,0,0,2|2,0,0]=4 3903 B14R1.96 COc1cccnc1SCCC(C)O 62a_100012276601_100000690851 [0,0,0,0,0,2|2,0,0]=4 3904 B14R1.96 COc1cccnc1SCCN(C)C 62a_100000767102_100000755713 [0,0,0,0,0,2|2,0,0]=4 3905 B14R1.96 COc1cccnc1SCOC(C)C 62a_100000709892_100000690851 [0,0,0,0,0,2|1,0,0]=3 3906 B14R1.96 COc1cccnc1SCOC(C)C 62a_100000767102_100000709892 [0,0,0,0,0,2|1,0,0]=3 3907 B14R1.96 COc1cncnc1C=CCC(C)C 271570a_100016259101_100012001275 [0,0,0,0,0,2|2,0,0]=4 3908 B14R1.96 COc1cncnc1NCCC(C)C 27a_100000210545_100012001275 [0,0,0,0,0,2|2,0,0]=4 3909 B14R1.96 COc1cncnc1SCCC(C)C 62a_100000210312_100012001275 [0,0,0,0,0,2|2,0,0]=4 3910 B14R1.96 COc1cncnc1SCCC(C)C 62a_100012001275_100000210312 [0,0,0,0,0,2|2,0,0]=4 3911 B14R1.96 COc1cncnc1SCOC(C)C 62a_100000709892_100012001275 [0,0,0,0,0,2|2,0,0]=4 3912 B14R1.96 COc1cncnc1SCOC(C)C 62a_100012001275_100000709892 [0,0,0,0,0,2|2,0,0]=4 3913 B14R1.96 COc1ncccc1C=CCC(C)C 271570a_100016259101_100000047025 [0,0,0,0,0,2|1,0,0]=3 3914 B14R1.96 COc1ncccc1C=NNC(C)C 4a_100000741168_100011290804 [0,0,0,0,0,2|1,0,1]=4 3915 B14R1.96 COc1ncccc1CNCC(C)C 207a_100000210953_100011290804 [0,0,0,0,0,2|1,0,0]=3 3916 B14R1.96 COc1ncccc1CNCC(C)C 2230a_100000210953_100020631285 [0,0,0,0,0,2|1,0,0]=3 3917 B14R1.96 COc1ncccc1CNCC(C)C 270004a_100000210953_100011290804 [0,0,0,0,0,2|1,0,0]=3 3918 B14R1.96 COc1ncccc1CNCC(C)C 270004a_100102524934_100000210432 [0,0,0,0,0,2|1,0,0]=3 3919 B14R1.96 COc1ncccc1CNCC(C)C 34a_100000210953_100020631285 [0,0,0,0,0,2|1,0,0]=3 3920 B14R1.96 COc1ncccc1CNCC(C)O 207a_100000210904_100011290804 [0,0,0,0,0,2|2,0,0]=4 3921 B14R1.96 COc1ncccc1CNCC(C)O 2230a_100000210904_100020631285 [0,0,0,0,0,2|2,0,0]=4 3922 B14R1.96 COc1ncccc1CNCC(C)O 270004a_100000210904_100011290804 [0,0,0,0,0,2|2,0,0]=4 3923 B14R1.96 COc1ncccc1CNCC(C)O 34a_100000210904_100020631285 [0,0,0,0,0,2|2,0,0]=4 3924 B14R1.96 COc1ncccc1COCC(C)Br 34a_100012180447_100020631285 [0,0,0,0,0,2|2,0,0]=4 3925 B14R1.96 COc1ncccc1COCC(C)C 34a_100000210257_100020631285 [0,0,0,0,0,2|1,0,0]=3 3926 B14R1.96 COc1ncccc1COCC(C)C 34a_100000717863_100000210624 [0,0,0,0,0,2|1,0,0]=3 3927 B14R1.96 COc1ncccc1COCC(C)F 34a_100015925927_100020631285 [0,0,0,0,0,2|2,0,0]=4 3928 B14R1.96 COc1ncccc1COCC(C)O 34a_100000717863_100011218427 [0,0,0,0,0,2|2,0,0]=4 3929 B14R1.96 COc1ncccc1COC[C@@H](C)Cl 34a_100016084084_100020631285 [0,0,0,0,0,2|2,0,0]=4 3930 B14R1.96 COc1ncccc1COC[C@@H](C)N 34a_100000737577_100020631285 [0,0,0,0,0,2|2,0,0]=4 3931 B14R1.96 COc1ncccc1COC[C@@H](C)O 34a_100000717863_100009817552 [0,0,0,0,0,2|2,0,0]=4 3932 B14R1.96 COc1ncccc1CSCC(C)C 62a_100000210624_100020631285 [0,0,0,0,0,2|1,0,0]=3 3933 B14R1.96 COc1ncccc1CSCC(C)C 62a_100020631285_100000210760 [0,0,0,0,0,2|1,0,0]=3 3934 B14R1.96 COc1ncccc1CSCC(C)O 62a_100011218427_100020631285 [0,0,0,0,0,2|2,0,0]=4 3935 B14R1.96 COc1ncccc1CSCC(C)O 62a_100020631285_100011218427 [0,0,0,0,0,2|2,0,0]=4 3936 B14R1.96 COc1ncccc1CSC[C@@H](C)O 62a_100009817552_100020631285 [0,0,0,0,0,2|2,0,0]=4 3937 B14R1.96 COc1ncccc1CSC[C@@H](C)O 62a_100020631285_100009817552 [0,0,0,0,0,2|2,0,0]=4 3938 B14R1.96 COc1ncccc1NN=CC(C)C 4a_100159270702_100000210432 [0,0,0,0,0,2|1,0,1]=4 3939 B14R1.96 COc1ncccc1OCC=C(C)C 34a_100000698397_100000761012 [0,0,0,0,0,2|1,0,1]=4 3940 B14R1.96 COc1ncccc1OCC=C(C)C 7a_100000698397_100000761012 [0,0,0,0,0,2|1,0,1]=4 3941 B14R1.96 COc1ncccc1OCCC(C)C 34a_100000698397_100000210312 [0,0,0,0,0,2|1,0,0]=3 3942 B14R1.96 COc1ncccc1OCCC(C)C 7a_100000698397_100000210626 [0,0,0,0,0,2|1,0,0]=3 3943 B14R1.96 COc1ncccc1OCCC(C)O 34a_100000698397_100012276601 [0,0,0,0,0,2|2,0,0]=4 3944 B14R1.96 COc1ncccc1OCCC(C)O 7a_100000698397_100012276601 [0,0,0,0,0,2|2,0,0]=4 3945 B14R1.96 COc1ncccc1OCCN(C)C 7a_100000698397_100000755713 [0,0,0,0,0,2|2,0,0]=4 3946 B14R1.96 COc1ncccc1OCOC(C)C 34a_100000698397_100000709892 [0,0,0,0,0,2|1,0,0]=3 3947 B14R1.96 COc1ncccc1SCC=C(C)C 62a_100000047025_100000761012 [0,0,0,0,0,2|1,0,1]=4 3948 B14R1.96 COc1ncccc1SCC=C(C)C 62a_100000761012_100000047025 [0,0,0,0,0,2|1,0,1]=4 3949 B14R1.96 COc1ncccc1SCCC(C)C 62a_100000047025_100000210312 [0,0,0,0,0,2|1,0,0]=3 3950 B14R1.96 COc1ncccc1SCCC(C)C 62a_100000210312_100000047025 [0,0,0,0,0,2|1,0,0]=3 3951 B14R1.96 COc1ncccc1SCCC(C)O 62a_100000047025_100012276601 [0,0,0,0,0,2|2,0,0]=4 3952 B14R1.96 COc1ncccc1SCCC(C)O 62a_100012276601_100000047025 [0,0,0,0,0,2|2,0,0]=4 3953 B14R1.96 COc1ncccc1SCCN(C)C 62a_100000047025_100000755713 [0,0,0,0,0,2|2,0,0]=4 3954 B14R1.96 COc1ncccc1SCOC(C)C 62a_100000047025_100000709892 [0,0,0,0,0,2|1,0,0]=3 3955 B14R1.96 COc1ncccc1SCOC(C)C 62a_100000709892_100000047025 [0,0,0,0,0,2|1,0,0]=3 3956 B14R1.96 COc1nccnc1C=CCC(C)C 271570a_100016259101_100000749998 [0,0,0,0,0,2|0,0,0]=2 3957 B14R1.96 COc1nccnc1NCC=C(C)C 27a_100000718196_100009858322 [0,0,0,0,0,2|0,0,1]=3 3958 B14R1.96 COc1nccnc1NCCC(C)C 27a_100000210545_100009858322 [0,0,0,0,0,2|0,0,0]=2 3959 B14R1.96 COc1nccnc1NCCC(C)O 27a_200000755665_100009858322 [0,0,0,0,0,2|1,0,0]=3 3960 B14R1.96 COc1nccnc1NCCN(C)C 27a_100000210585_100009858322 [0,0,0,0,0,2|1,0,0]=3 3961 B14R1.96 COc1nccnc1NN=CC(C)C 4a_100000702116_100000210432 [0,0,0,0,0,2|0,0,1]=3 3962 B14R1.96 COc1nccnc1SCC=C(C)C 62a_100000761012_100000749998 [0,0,0,0,0,2|0,0,1]=3 3963 B14R1.96 COc1nccnc1SCC=C(C)C 62a_100009858322_100000761012 [0,0,0,0,0,2|0,0,1]=3 3964 B14R1.96 COc1nccnc1SCCC(=O)C 62a_100000053229_100000749998 [0,0,0,0,0,2|1,0,1]=4 3965 B14R1.96 COc1nccnc1SCCC(=O)C 62a_100009858322_100000053229 [0,0,0,0,0,2|1,0,1]=4 3966 B14R1.96 COc1nccnc1SCCC(C)C 62a_100000210312_100000749998 [0,0,0,0,0,2|0,0,0]=2 3967 B14R1.96 COc1nccnc1SCCC(C)C 62a_100009858322_100000210312 [0,0,0,0,0,2|0,0,0]=2 3968 B14R1.96 COc1nccnc1SCCC(C)O 62a_100009858322_100012276601 [0,0,0,0,0,2|1,0,0]=3 3969 B14R1.96 COc1nccnc1SCCC(C)O 62a_100012276601_100000749998 [0,0,0,0,0,2|1,0,0]=3 3970 B14R1.96 COc1nccnc1SCCN(C)C 62a_100009858322_100000755713 [0,0,0,0,0,2|1,0,0]=3 3971 B14R1.96 COc1nccnc1SCOC(=O)C 62a_100000076356_100000749998 [0,0,0,0,0,2|1,0,1]=4 3972 B14R1.96 COc1nccnc1SCOC(=O)C 62a_100009858322_100000076356 [0,0,0,0,0,2|1,0,1]=4 3973 B14R1.96 COc1nccnc1SCOC(C)C 62a_100000709892_100000749998 [0,0,0,0,0,2|0,0,0]=2 3974 B14R1.96 COc1nccnc1SCOC(C)C 62a_100009858322_100000709892 [0,0,0,0,0,2|0,0,0]=2 3975 B14R1.96 COc1ncncc1C=CCC(C)C 271570a_100016259101_100000719902 [0,0,0,0,0,2|2,0,0]=4 3976 B14R1.96 COc1ncncc1SCCC(C)C 62a_100000210312_100000719902 [0,0,0,0,0,2|2,0,0]=4 3977 B14R1.96 COc1ncncc1SCCC(C)C 62a_100000719902_100000210312 [0,0,0,0,0,2|2,0,0]=4 3978 B14R1.96 COc1ncncc1SCOC(C)C 62a_100000709892_100000719902 [0,0,0,0,0,2|2,0,0]=4 3979 B14R1.96 COc1ncncc1SCOC(C)C 62a_100000719902_100000709892 [0,0,0,0,0,2|2,0,0]=4 3980 B14R1.96 CSc1ncccc1C=CCC(C)C 271570a_100016259101_100011465278 [0,0,0,0,0,2|1,1,0]=4 3981 B14R1.96 CSc1ncccc1SCCC(C)C 62a_100000210312_100011465278 [0,0,0,0,0,2|1,1,0]=4 3982 B14R1.96 CSc1ncccc1SCCC(C)C 62a_100011465278_100000210312 [0,0,0,0,0,2|1,1,0]=4 3983 B14R1.96 CSc1ncccc1SCOC(C)C 62a_100000709892_100011465278 [0,0,0,0,0,2|1,1,0]=4 3984 B14R1.96 CSc1ncccc1SCOC(C)C 62a_100011465278_100000709892 [0,0,0,0,0,2|1,1,0]=4