0 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.20 CC(=Cc1ccc(cn1)Br)C 271570a_100102525489_100000686858 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.20 CC(=Cc1ccc(cn1)Cl)C 271570a_100102525489_100011356976 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.20 CC(=Cc1ccc(cn1)F)C 271570a_100102525489_100000744514 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.20 CC(=Cc1ccc(cn1)N)C 271570a_100102525489_100000744251 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.20 CN(C)Cc1ccc(cn1)Br 2230a_100102631434_100000702658 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.20 CN(C)Cc1ccc(cn1)Br 269982a_100102631434_100000702658 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.20 CN(C)Cc1ccc(cn1)Br 270004a_100102631434_100000754260 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.20 CN(C)Cc1ccc(cn1)Cl 2230a_100102631434_100012066911 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.20 CN(C)Cc1ccc(cn1)Cl 269982a_100102631434_100000697101 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.20 CN(C)Cc1ccc(cn1)Cl 270004a_100102631434_100011361569 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.20 CN(C)Cc1ccc(cn1)F 2230a_100102631434_100000703193 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.20 CN(C)Cc1ccc(cn1)F 269982a_100102631434_100000703193 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.20 CN(C)Cc1ccc(cn1)F 270004a_100102631434_100011934744 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.40 C#CC(=O)Cc1cccnn1 1458a_100000211873_100016990269 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.40 C#CC(=O)Cc1ncccn1 1458a_100000211873_100000703007 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.40 C=CC(=O)Cc1ncccn1 1458a_100000185746_100000703007 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|0,0,0]=1 311 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,0|1,0,0]=2 350 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,0|1,0,0]=2 351 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.157 CN(C)Cc1cc(ccn1)Br 2230a_100102631434_100010173614 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.157 CN(C)Cc1cc(ccn1)Br 269982a_100102631434_100010173614 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.157 CN(C)Cc1cc(ccn1)Br 270004a_100102631434_100009818557 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102631434_100016988179 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102954512_200000210301 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102631434_100016988179 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102954512_200000210301 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.157 CN(C)Cc1cc(ccn1)Cl 270004a_100102631434_100011998288 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_100102631434_100009889011 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_106354212997_200000210301 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_100102631434_100009889011 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_106354212997_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.157 CN(C)Cc1cccc(n1)Br 270004a_100102631434_100000688028 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.157 CN(C)Cc1cccc(n1)Cl 2230a_100102631434_100000086093 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.157 CN(C)Cc1cccc(n1)Cl 269982a_100102631434_100000086093 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.157 CN(C)Cc1cccc(n1)Cl 270004a_100102631434_100011361687 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.157 CN(C)Cc1cccc(n1)F 2230a_100102631434_100009819644 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.157 CN(C)Cc1cccc(n1)F 269982a_100102631434_100009819644 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.157 CN(C)Cc1cccc(n1)F 270004a_100102631434_100000050434 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 2230a_100102954512_200025704644 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 269982a_100102954512_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 2230a_106354212997_200025704644 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 269982a_106354212997_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100000687132_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100102631434_100000757606 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100000687132_200000210301 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100102631434_100000757606 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.157 Cc1cccc(n1)CN(C)C 270004a_100102631434_100011215050 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 2230a_100000687132_200025704644 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 269982a_100000687132_200025704644 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_100102631434_100000718516 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_106354213154_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_100102631434_100000718516 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_106354213154_200000210301 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.157 Cc1ccnc(c1)CN(C)C 270004a_100102631434_100011361488 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 2230a_106354213154_200025704644 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 269982a_106354213154_200025704644 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,0|3,0,0]=4 523 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,0,1,0,0,0|3,0,0]=4 524 B9R0.4 C=CC=CC(=O)CC(=C)F 1458a_100016291481_100009893438 [0,0,1,0,0,0|3,0,0]=4 525 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,0,1,0,0,0|2,0,0]=3 526 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,0,1,0,0,0|1,0,1]=3 527 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,0,1,0,0,0|2,0,1]=4 528 B9R0.4 C=CC=CC(=O)C[N+](=O)[O-] 1458a_100016291481_100000761209 [0,0,1,0,0,0|2,0,1]=4 529 B11R2.10 CN1Cc2cccnc2C1 269982a_100000726175_200000210301 [0,0,0,1,0,0|3,0,0]=4 530 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,0|2,0,1]=4 531 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,0|1,0,2]=4 532 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,0|1,1,1]=4 533 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [0,0,0,1,0,0|2,0,0]=3 534 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [0,0,0,1,0,0|2,0,1]=4 535 B11R2.10 Oc1cn2ncccc2n1 271570a_203496583355_200010296001 [0,0,0,1,0,0|2,0,1]=4 536 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,0,0|3,0,0]=4 537 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,0,0|2,1,0]=4 538 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [0,0,0,1,0,0|2,0,0]=3 539 B11R2.10 [13CH3]N1Cc2cccnc2C1 269982a_100000726175_200025704644 [0,0,0,1,0,0|3,0,0]=4 540 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,1,0|3,0,0]=4 541 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,1,0|2,0,0]=3 542 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,1,0|3,0,0]=4 543 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,1,0|3,0,0]=4 544 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,1,0|3,0,0]=4 545 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,1,0|3,0,0]=4 546 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,1,0|2,0,0]=3 547 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,1,0|2,0,0]=3 548 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|2,0,0]=3 549 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|2,0,0]=3 550 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|1,0,1]=3 551 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|2,0,0]=3 552 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|2,0,0]=3 553 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,1,0|2,0,1]=4 554 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,1,0|2,0,1]=4 555 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|2,0,0]=3 556 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|2,0,0]=3 557 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|2,0,0]=3 558 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|2,0,0]=3 559 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,1,0|3,0,0]=4 560 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|2,0,0]=3 561 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|2,0,0]=3 562 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|2,0,0]=3 563 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|2,0,0]=3 564 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,1,0|2,0,0]=3 565 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|2,0,0]=3 566 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,0,0,1,0|3,0,0]=4 567 B9R1.13 CC(=O)Cn1ccnn1 1458a_100000080816_200000210301 [0,0,0,0,1,0|3,0,0]=4 568 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,1,0|3,0,0]=4 569 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,1,0|3,0,0]=4 570 B9R1.13 CC(=O)Cn1nccn1 1458a_100000080817_200000210301 [0,0,0,0,1,0|3,0,0]=4 571 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|2,0,0]=3 572 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|1,0,1]=3 573 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|2,0,0]=3 574 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|2,0,0]=3 575 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,1,0|2,0,1]=4 576 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|2,0,0]=3 577 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|2,0,0]=3 578 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|2,0,0]=3 579 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,1,0|2,0,0]=3 580 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|2,0,0]=3 581 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,0,0,1,0|3,0,0]=4 582 B9R1.13 [13CH3]C(=O)Cn1ccnn1 1458a_100000080816_200025704644 [0,0,0,0,1,0|3,0,0]=4 583 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,1,0|3,0,0]=4 584 B9R1.13 [13CH3]C(=O)Cn1nccn1 1458a_100000080817_200025704644 [0,0,0,0,1,0|3,0,0]=4 585 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,1|3,0,0]=4 586 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,0,0,0,0,1|3,0,0]=4 587 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,0,0,0,0,1|3,0,0]=4 588 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,0,0,0,0,1|3,0,0]=4 589 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,0,0,0,0,1|3,0,0]=4 590 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,1|3,0,0]=4 591 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,1|3,0,0]=4 592 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,1|3,0,0]=4 593 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,1|3,0,0]=4 594 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,1|2,0,0]=3 595 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,1|2,0,0]=3 596 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,0,0,0,0,1|3,0,0]=4 597 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,0,0,0,0,1|3,0,0]=4 598 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,0,0,0,0,1|3,0,0]=4 599 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,0,0,0,0,1|3,0,0]=4 600 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,0,0,0,0,1|3,0,0]=4 601 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,0,0,0,0,1|3,0,0]=4 602 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,0,0,0,0,1|3,0,0]=4 603 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,0,0,0,0,1|3,0,0]=4 604 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,1|3,0,0]=4 605 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,1|3,0,0]=4 606 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,1|3,0,0]=4 607 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,1|3,0,0]=4 608 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,1|3,0,0]=4 609 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,0,0,0,0,1|2,0,0]=3 610 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,0,0,0,0,1|2,0,0]=3 611 B11R1.91 C=C(F)CSc1cccnn1 62a_100000042424_100016991348 [0,0,0,0,0,1|3,0,0]=4 612 B11R1.91 C=C(F)CSc1cccnn1 62a_100016991348_100000042424 [0,0,0,0,0,1|3,0,0]=4 613 B11R1.91 C=C(F)CSc1ccncn1 62a_100000042424_100000703185 [0,0,0,0,0,1|3,0,0]=4 614 B11R1.91 C=C(F)CSc1ccncn1 62a_100000703185_100000042424 [0,0,0,0,0,1|3,0,0]=4 615 B11R1.91 C=C(F)CSc1cnccn1 62a_100000042424_100000211759 [0,0,0,0,0,1|3,0,0]=4 616 B11R1.91 C=C(F)CSc1cnccn1 62a_100000211759_100000042424 [0,0,0,0,0,1|3,0,0]=4 617 B11R1.91 C=C(F)CSc1ncccn1 62a_100000042424_100000211032 [0,0,0,0,0,1|3,0,0]=4 618 B11R1.91 C=C(F)CSc1ncccn1 62a_100000211032_100000042424 [0,0,0,0,0,1|3,0,0]=4 619 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,1|2,0,1]=4 620 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,1|1,0,1]=3 621 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,1|2,0,1]=4 622 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|1,0,1]=3 623 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|2,0,0]=3 624 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|2,0,0]=3 625 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|1,0,0]=2 626 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|1,0,0]=2 627 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,1|3,0,0]=4 628 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,1|3,0,0]=4 629 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,1|3,0,0]=4 630 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,1|3,0,0]=4 631 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,1|2,0,0]=3 632 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|1,0,0]=2 633 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,1|3,0,0]=4 634 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,1|2,0,0]=3 635 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|1,0,0]=2 636 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,1|3,0,0]=4 637 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 638 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 639 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 640 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,1|2,0,0]=3 641 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|1,0,0]=2 642 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|1,0,0]=2 643 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|1,0,0]=2 644 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|1,0,0]=2 645 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,1|3,0,0]=4 646 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,1|3,0,0]=4 647 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,1|3,0,0]=4 648 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|2,0,0]=3 649 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|2,0,0]=3 650 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|2,0,0]=3 651 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,1|3,0,0]=4 652 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,1|3,0,0]=4 653 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,1|3,0,0]=4 654 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,1|3,0,0]=4 655 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|2,0,0]=3 656 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|2,0,0]=3 657 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|2,0,0]=3 658 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|2,0,0]=3 659 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|2,0,0]=3 660 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|2,0,0]=3 661 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|2,0,0]=3 662 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|2,0,0]=3 663 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|2,0,0]=3 664 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,1|3,0,0]=4 665 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,1|2,0,0]=3 666 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,1|3,0,0]=4 667 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,1|3,0,0]=4 668 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,1|3,0,0]=4 669 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,1|3,0,0]=4 670 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,0,0,0,0,1|2,0,1]=4 671 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,0,0,0,0,1|2,0,1]=4 672 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,0,0,0,0,1|2,0,1]=4 673 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,0,0,0,0,1|2,0,1]=4 674 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,0,0,0,0,1|2,0,1]=4 675 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,0,0,0,0,1|2,0,1]=4 676 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,0,0,0,0,1|2,0,1]=4 677 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,0,0,0,0,1|2,0,1]=4 678 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,0,0,0,0,1|1,0,2]=4 679 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,1|2,0,1]=4 680 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [0,0,0,0,0,1|2,0,1]=4 681 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [0,0,0,0,0,1|2,0,1]=4 682 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,0,0,0,0,1|2,0,1]=4 683 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [0,0,0,0,0,1|2,0,1]=4 684 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,1|2,0,1]=4 685 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,1|2,0,1]=4 686 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,1|2,0,1]=4 687 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,1|2,0,1]=4 688 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,0,0,0,0,1|1,0,1]=3 689 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,0,0,0,0,1|1,0,1]=3 690 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [0,0,0,0,0,1|2,0,1]=4 691 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [0,0,0,0,0,1|2,0,1]=4 692 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [0,0,0,0,0,1|2,0,1]=4 693 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [0,0,0,0,0,1|2,0,1]=4 694 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,0,0,0,0,1|2,0,1]=4 695 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,0,0,0,0,1|2,0,1]=4 696 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [0,0,0,0,0,1|2,0,1]=4 697 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [0,0,0,0,0,1|2,0,1]=4 698 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,0,0,0,0,1|3,0,0]=4 699 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,0,0,0,0,1|3,0,0]=4 700 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,0,0,0,0,1|3,0,0]=4 701 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,0,0,0,0,1|3,0,0]=4 702 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,0,0,0,0,1|3,0,0]=4 703 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,0,0,0,0,1|3,0,0]=4 704 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,1|2,0,1]=4 705 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,1|2,0,1]=4 706 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,1|2,0,1]=4 707 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,1|2,0,1]=4 708 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,1|2,0,1]=4 709 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,0,0,0,0,1|1,0,1]=3 710 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,0,0,0,0,1|1,0,1]=3 711 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [0,0,0,0,0,1|2,0,1]=4 712 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [0,0,0,0,0,1|2,0,1]=4 713 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [0,0,0,0,0,1|2,0,1]=4 714 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [0,0,0,0,0,1|2,0,1]=4 715 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,0,0,0,0,1|2,0,1]=4 716 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,0,0,0,0,1|2,0,1]=4 717 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [0,0,0,0,0,1|2,0,1]=4 718 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [0,0,0,0,0,1|2,0,1]=4 719 B11R1.91 FC(F)CSc1ccccn1 62a_100011216584_100011934356 [0,0,0,0,0,1|2,0,1]=4 720 B11R1.91 FC(F)CSc1ccccn1 62a_100011934356_100011216584 [0,0,0,0,0,1|2,0,1]=4 721 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,1|2,0,0]=3 722 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,1|2,0,0]=3 723 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,1|2,0,0]=3 724 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,1|3,0,0]=4 725 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,1|3,0,0]=4 726 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,1|3,0,0]=4 727 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,1|2,0,0]=3 728 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,1|2,0,0]=3 729 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,1|1,0,0]=2 730 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,1|1,0,0]=2 731 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,1|3,0,0]=4 732 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,1|3,0,0]=4 733 B11R1.91 NC(=O)CSc1cccnn1 62a_100000747473_100016991348 [0,0,0,0,0,1|2,0,0]=3 734 B11R1.91 NC(=O)CSc1cccnn1 62a_100016991348_100000747473 [0,0,0,0,0,1|2,0,0]=3 735 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,1|3,0,0]=4 736 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,1|3,0,0]=4 737 B11R1.91 NC(=O)CSc1ccncn1 62a_100000703185_100000747473 [0,0,0,0,0,1|2,0,0]=3 738 B11R1.91 NC(=O)CSc1ccncn1 62a_100000747473_100000703185 [0,0,0,0,0,1|2,0,0]=3 739 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,1|2,0,0]=3 740 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,1|2,0,0]=3 741 B11R1.91 NC(=O)CSc1ncccn1 62a_100000211032_100000747473 [0,0,0,0,0,1|2,0,0]=3 742 B11R1.91 NC(=O)CSc1ncccn1 62a_100000747473_100000211032 [0,0,0,0,0,1|2,0,0]=3 743 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,1|1,0,1]=3 744 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,1|1,0,1]=3 745 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,1|2,0,1]=4 746 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,1|2,0,1]=4 747 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,1|1,0,1]=3 748 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,1|1,0,1]=3 749 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,1|0,0,1]=2 750 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,1|0,0,1]=2 751 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,1|2,0,1]=4 752 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,1|2,0,1]=4 753 B11R1.91 O=C([O-])CSc1cccnn1 62a_100016991348_100020667443 [0,0,0,0,0,1|1,0,1]=3 754 B11R1.91 O=C([O-])CSc1cccnn1 62a_100020667443_100016991348 [0,0,0,0,0,1|1,0,1]=3 755 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,1|2,0,1]=4 756 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,1|2,0,1]=4 757 B11R1.91 O=C([O-])CSc1ccncn1 62a_100000703185_100020667443 [0,0,0,0,0,1|1,0,1]=3 758 B11R1.91 O=C([O-])CSc1ccncn1 62a_100020667443_100000703185 [0,0,0,0,0,1|1,0,1]=3 759 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,1|1,0,1]=3 760 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,1|1,0,1]=3 761 B11R1.91 O=C([O-])CSc1ncccn1 62a_100000211032_100020667443 [0,0,0,0,0,1|1,0,1]=3 762 B11R1.91 O=C([O-])CSc1ncccn1 62a_100020667443_100000211032 [0,0,0,0,0,1|1,0,1]=3 763 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,1|2,0,1]=4 764 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,1|2,0,1]=4 765 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,1|2,0,1]=4 766 B11R1.91 O=[N+]([O-])CSc1ccccn1 62a_100011216584_100000761209 [0,0,0,0,0,1|1,0,1]=3 767 B11R1.91 O=[N+]([O-])CSc1cccnn1 62a_100016991348_100000761209 [0,0,0,0,0,1|2,0,1]=4 768 B11R1.91 O=[N+]([O-])CSc1ccncn1 62a_100000703185_100000761209 [0,0,0,0,0,1|2,0,1]=4 769 B11R1.91 O=[N+]([O-])CSc1cnccn1 62a_100000211759_100000761209 [0,0,0,0,0,1|2,0,1]=4 770 B11R1.91 O=[N+]([O-])CSc1ncccn1 62a_100000211032_100000761209 [0,0,0,0,0,1|2,0,1]=4 771 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,1|2,0,1]=4 772 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,1|1,0,1]=3 773 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,1|2,0,1]=4 774 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|1,0,1]=3 775 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|2,0,0]=3 776 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|1,0,0]=2 777 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,1|3,0,0]=4 778 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,1|3,0,0]=4 779 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,1|2,0,0]=3 780 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|1,0,0]=2 781 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,1|3,0,0]=4 782 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,1|2,0,0]=3 783 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|1,0,0]=2 784 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,1|3,0,0]=4 785 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|2,0,0]=4 786 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|1,0,1]=4 787 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,1]=4 788 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|0,0,1]=3 789 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [2,0,0,0,0,0|1,0,1]=4 790 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [2,0,0,0,0,0|1,0,1]=4 791 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|1,0,1]=4 792 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [2,0,0,0,0,0|1,0,1]=4 793 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,0,1]=4 794 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,0,1]=4 795 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,0,1]=4 796 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,0,1]=4 797 B10R0.6 C/C=C/C=CC(=O)CC(=O)N 1458a_100000185730_100000187820 [0,1,1,0,0,0|2,0,0]=4 798 B10R0.6 C/C=C/C=CC(=O)CC(=O)[O-] 1458a_100000185730_100020667443 [0,1,1,0,0,0|1,0,1]=4 799 B10R0.18 C=CC=CC(=O)CC(=O)CC 1458a_100016291481_100000747405 [0,1,1,0,0,0|2,0,0]=4 800 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,1,1,0,0,0|2,0,0]=4 801 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,1,1,0,0,0|1,0,0]=3 802 B10R0.81 C=CC=CC(=O)C(C)C(=O)C 1458a_100016291481_100000179758 [0,1,1,0,0,0|2,0,0]=4 803 B10R0.81 C=CC=CC(=O)C(C)C(=O)N 1458a_100016291481_100000702099 [0,1,1,0,0,0|2,0,0]=4 804 B10R0.81 C=CC=CC(=O)C(F)C(=O)N 1458a_100016291481_100009813875 [0,1,1,0,0,0|2,0,0]=4 805 B10R0.81 C=CC=CC(=O)C(F)C(=O)[O-] 1458a_100016291481_100020610796 [0,1,1,0,0,0|1,0,1]=4 806 B10R0.79 C=CCN(CC=C)CC(=O)O 269956a_100000744315_100000210623 [0,1,1,0,0,0|2,0,0]=4 807 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|1,0,1]=4 809 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,0]=3 860 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|0,0,1]=3 862 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|1,0,1]=4 877 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|1,0,1]=4 878 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|1,0,1]=4 879 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|1,0,1]=4 880 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|2,0,0]=4 886 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.4 N#CCc1ncccc1O 271570a_203496583355_100011824415 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|2,0,0]=4 935 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|2,0,0]=4 962 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|2,0,0]=4 963 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 964 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [1,1,0,0,0,0|2,0,0]=4 971 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [1,1,0,0,0,0|2,0,0]=4 984 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|2,0,0]=4 992 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.10 CSCc1cc(ccn1)Br 62a_100010173614_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.10 CSCc1cc(ccn1)Br 62a_200000210301_100010173614 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.10 CSCc1cc(ccn1)Cl 62a_100016988179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.10 CSCc1cc(ccn1)Cl 62a_200000210301_100016988179 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.10 CSCc1cccc(n1)Br 62a_100009889011_200000210301 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.10 CSCc1cccc(n1)Br 62a_200000210301_100009889011 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.10 CSCc1cccc(n1)Cl 62a_100000086093_200000210301 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.10 CSCc1cccc(n1)Cl 62a_200000210301_100000086093 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.10 CSCc1cccc(n1)F 62a_100009819644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.10 CSCc1cccc(n1)F 62a_200000210301_100009819644 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.10 N#CCc1cc(ccn1)O 271570a_203496583355_100009875060 [1,1,0,0,0,0|1,0,1]=4 1028 B10R1.10 N#CCc1cccc(n1)O 271570a_203496583355_100000727631 [1,1,0,0,0,0|1,0,1]=4 1029 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|0,0,1]=3 1032 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_100010173614_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_200025704644_100010173614 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_100016988179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_200025704644_100016988179 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_100009889011_200025704644 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_200025704644_100009889011 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_100000086093_200025704644 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_200025704644_100000086093 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_100009819644_200025704644 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_200025704644_100009819644 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.17 C=CCNc1cccnn1 27a_100020586998_100016991348 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.17 C=CCNc1ccncn1 27a_100020586998_100000703185 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.17 C=CCNc1cnccn1 27a_100020586998_100000211759 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.17 C=CCNc1ncccn1 27a_100020586998_100000211032 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.17 C=CCSc1cccnn1 62a_100000210623_100016991348 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.17 C=CCSc1cccnn1 62a_100016991348_100000210623 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.17 C=CCSc1ccncn1 62a_100000210623_100000703185 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.17 C=CCSc1ccncn1 62a_100000703185_100000210623 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.17 C=CCSc1cnccn1 62a_100000210623_100000211759 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.17 C=CCSc1cnccn1 62a_100000211759_100000210623 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.17 C=CCSc1ncccn1 62a_100000210623_100000211032 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.17 C=CCSc1ncccn1 62a_100000211032_100000210623 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,1,0,0,0,0|1,0,1]=4 1080 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,1,0,0,0,0|1,0,1]=4 1081 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,1,0,0,0,0|1,0,1]=4 1082 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,1,0,0,0,0|0,0,1]=3 1090 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,1,0,0,0,0|1,0,1]=4 1093 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,1,0,0,0,0|0,1,1]=4 1094 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,1,0,0,0,0|0,1,1]=4 1095 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [1,1,0,0,0,0|1,0,1]=4 1103 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|0,0,0]=2 1112 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|0,0,0]=2 1113 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [1,1,0,0,0,0|1,0,0]=3 1117 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [1,1,0,0,0,0|1,0,0]=3 1120 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [1,1,0,0,0,0|1,0,0]=3 1122 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [1,1,0,0,0,0|1,0,1]=4 1127 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,1,0,0,0,0|0,0,1]=3 1135 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,1,0,0,0,0|0,0,1]=3 1136 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [1,1,0,0,0,0|1,0,1]=4 1141 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [1,1,0,0,0,0|1,0,1]=4 1142 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,1,0,0,0,0|0,0,1]=3 1147 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,1,0,0,0,0|0,1,1]=4 1149 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,1,0,0,0,0|0,1,1]=4 1150 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,1,0|2,0,0]=4 1151 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,1,0|2,0,0]=4 1152 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,1,0|2,0,0]=4 1153 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,1,0|2,0,0]=4 1154 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,1,0|2,0,0]=4 1155 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,1,0|2,0,0]=4 1156 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,1,0|2,0,0]=4 1157 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,1,0|2,0,0]=4 1158 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,1,0|2,0,0]=4 1159 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,1,0|2,0,0]=4 1160 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,1,0|2,0,0]=4 1161 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,1,0|2,0,0]=4 1162 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,1,0|2,0,0]=4 1163 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,1,0|1,0,0]=3 1164 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,1,0|2,0,0]=4 1165 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,1,0|2,0,0]=4 1166 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,1,0|1,0,1]=4 1167 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,1,0|2,0,0]=4 1168 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,1,0|2,0,0]=4 1169 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,1,0|1,0,0]=3 1170 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,1,0|2,0,0]=4 1171 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,1,0|2,0,0]=4 1172 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,1,0|2,0,0]=4 1173 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,1,0,0,1,0|1,0,1]=4 1174 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,1,0|2,0,0]=4 1175 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,1,0|2,0,0]=4 1176 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,1,0|2,0,0]=4 1177 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,1,0|2,0,0]=4 1178 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,1,0|2,0,0]=4 1179 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,1,0|2,0,0]=4 1180 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,1,0|2,0,0]=4 1181 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,1,0|2,0,0]=4 1182 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,1,0|2,0,0]=4 1183 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,1,0|2,0,0]=4 1184 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,1,0|2,0,0]=4 1185 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,1,0|2,0,0]=4 1186 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,1,0|2,0,0]=4 1187 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,1,0|2,0,0]=4 1188 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,1,0|2,0,0]=4 1189 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,1,0|2,0,0]=4 1190 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,1,0|2,0,0]=4 1191 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,1,0|2,0,0]=4 1192 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,1,0|2,0,0]=4 1193 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,1,0|1,0,0]=3 1194 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,1,0|2,0,0]=4 1195 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,1,0|1,0,1]=4 1196 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,1,0|2,0,0]=4 1197 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,1,0|2,0,0]=4 1198 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,1,0|1,0,0]=3 1199 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,1,0|2,0,0]=4 1200 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,1,0|2,0,0]=4 1201 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,1,0|2,0,0]=4 1202 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,1,0|2,0,0]=4 1203 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,1,0|2,0,0]=4 1204 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,1,0|2,0,0]=4 1205 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,1,0|2,0,0]=4 1206 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,1,0|2,0,0]=4 1207 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,1,0|2,0,0]=4 1208 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,1,0|2,0,0]=4 1209 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,1,0|2,0,0]=4 1210 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,1,0|2,0,0]=4 1211 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,1,0|2,0,0]=4 1212 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,1,0|2,0,0]=4 1213 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,1,0|2,0,0]=4 1214 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,1,0|2,0,0]=4 1215 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,1,0|1,0,0]=3 1216 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,1,0|2,0,0]=4 1217 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,1,0|2,0,0]=4 1218 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,1,0|2,0,0]=4 1219 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,1,0|2,0,0]=4 1220 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,1,0|2,0,0]=4 1221 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,1,0|2,0,0]=4 1222 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,1,0|2,0,0]=4 1223 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,1,0|1,0,0]=3 1224 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,1,0|2,0,0]=4 1225 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,1,0|1,0,1]=4 1226 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,1,0|1,0,1]=4 1227 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,1,0|2,0,0]=4 1228 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,1,0|1,0,0]=3 1229 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,1,0|2,0,0]=4 1230 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,1,0|2,0,0]=4 1231 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,1,0|1,0,0]=3 1232 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,1,0|2,0,0]=4 1233 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,1,0|2,0,0]=4 1234 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [0,1,0,0,1,0|1,0,1]=4 1235 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,1,0|2,0,0]=4 1236 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,1,0|2,0,0]=4 1237 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,1,0|2,0,0]=4 1238 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,1,0|2,0,0]=4 1239 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,1,0|2,0,0]=4 1240 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,1,0|2,0,0]=4 1241 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,1,0|2,0,0]=4 1242 B10R1.27 C#CC(=O)Cc1c[nH]cn1 1458a_100000211873_100000707719 [0,1,0,0,1,0|2,0,0]=4 1243 B10R1.27 C#CC(=O)Cc1ccon1 1458a_100000211873_100000234950 [0,1,0,0,1,0|2,0,0]=4 1244 B10R1.27 C#CC(=O)Cc1ccsc1 1458a_100000211873_100011233845 [0,1,0,0,1,0|2,0,0]=4 1245 B10R1.27 C#CC(=O)Cc1cscn1 1458a_100000211873_100000205941 [0,1,0,0,1,0|2,0,0]=4 1246 B10R1.27 C#CC(=O)Cc1ncco1 1458a_100000211873_103436540062 [0,1,0,0,1,0|2,0,0]=4 1247 B10R1.27 C#CC(=O)Cc1nccs1 1458a_100000211873_100015184050 [0,1,0,0,1,0|2,0,0]=4 1248 B10R1.27 C=CC(=O)Cc1c[nH]cn1 1458a_100000185746_100000707719 [0,1,0,0,1,0|2,0,0]=4 1249 B10R1.27 C=CC(=O)Cc1ccon1 1458a_100000185746_100000234950 [0,1,0,0,1,0|2,0,0]=4 1250 B10R1.27 C=CC(=O)Cc1ccsc1 1458a_100000185746_100011233845 [0,1,0,0,1,0|2,0,0]=4 1251 B10R1.27 C=CC(=O)Cc1cscn1 1458a_100000185746_100000205941 [0,1,0,0,1,0|2,0,0]=4 1252 B10R1.27 C=CC(=O)Cc1ncco1 1458a_100000185746_103436540062 [0,1,0,0,1,0|2,0,0]=4 1253 B10R1.27 C=CC(=O)Cc1nccs1 1458a_100000185746_100015184050 [0,1,0,0,1,0|2,0,0]=4 1254 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,1,0,0,1,0|2,0,0]=4 1255 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,1,0,0,1,0|2,0,0]=4 1256 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,1,0|1,0,1]=4 1257 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,1,0|2,0,0]=4 1258 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,1,0|2,0,0]=4 1259 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,1,0,0,1,0|2,0,0]=4 1260 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,1,0,0,1,0|2,0,0]=4 1261 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,1,0|2,0,0]=4 1262 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,1,0|2,0,0]=4 1263 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,1,0,0,1,0|2,0,0]=4 1264 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,1,0,0,1,0|2,0,0]=4 1265 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,1,0,0,1,0|2,0,0]=4 1266 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,1,0,0,1,0|2,0,0]=4 1267 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,1,0,0,1,0|2,0,0]=4 1268 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,1,0,0,1,0|2,0,0]=4 1269 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,1,0,0,1,0|2,0,0]=4 1270 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,1,0|1,0,1]=4 1271 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,1,0|1,0,1]=4 1272 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,1,0|1,0,1]=4 1273 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,1,0|2,0,0]=4 1274 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,1,0|2,0,0]=4 1275 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,1,0|2,0,0]=4 1276 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,1,0|2,0,0]=4 1277 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,1,0|2,0,0]=4 1278 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,1,0,0,1,0|2,0,0]=4 1279 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 1280 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 1281 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 1282 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,1,0,0,1,0|2,0,0]=4 1283 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 1284 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 1285 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 1286 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,1,0,0,1,0|2,0,0]=4 1287 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,1,0,0,1,0|2,0,0]=4 1288 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,1,0,0,1,0|2,0,0]=4 1289 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,1,0,0,1,0|2,0,0]=4 1290 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,1,0,0,1,0|2,0,0]=4 1291 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,1,0,0,1,0|2,0,0]=4 1292 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,1,0,0,1,0|2,0,0]=4 1293 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,1,0,0,1,0|2,0,0]=4 1294 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,1,0,0,1,0|2,0,0]=4 1295 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,1,0,0,1,0|2,0,0]=4 1296 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,1,0,0,1,0|2,0,0]=4 1297 B10R1.27 O=C(CF)Cc1c[nH]cn1 1458a_100015291406_100015361967 [0,1,0,0,1,0|2,0,0]=4 1298 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,1,0|1,0,1]=4 1299 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,1,0|2,0,0]=4 1300 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,1,0|2,0,0]=4 1301 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [0,1,0,0,1,0|2,0,0]=4 1302 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,1,0,0,1,0|2,0,0]=4 1303 B10R1.27 O=C(CF)Cc1cscn1 1458a_100011438297_100015361967 [0,1,0,0,1,0|2,0,0]=4 1304 B10R1.27 O=C(CF)Cn1cccc1 1458a_100011196272_100015361967 [0,1,0,0,1,0|2,0,0]=4 1305 B10R1.27 O=C(CF)Cn1cccn1 1458a_100000233772_100015361967 [0,1,0,0,1,0|2,0,0]=4 1306 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,1,0,0,1,0|1,0,0]=3 1307 B10R1.27 O=C(CO)Cc1ccn[nH]1 1458a_100000210174_100000728653 [0,1,0,0,1,0|1,0,1]=4 1308 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,1,0,0,1,0|1,0,0]=3 1309 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,1,0|1,0,0]=3 1310 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,1,0,0,1,0|2,0,0]=4 1311 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,1,0,0,1,0|1,0,0]=3 1312 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,1,0|1,0,0]=3 1313 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,1,0|1,0,0]=3 1314 B10R1.27 O=C(CO)Cn1cncn1 1458a_100000210174_200020645497 [0,1,0,0,1,0|2,0,0]=4 1315 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,1,0|2,0,0]=4 1316 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,1,0|2,0,0]=4 1317 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,0,1,0|2,0,0]=4 1318 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,1,0|2,0,0]=4 1319 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,1,0|2,0,0]=4 1320 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,1,0|2,0,0]=4 1321 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,1,0|2,0,0]=4 1322 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,1,0,0,1,0|2,0,0]=4 1323 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,1,0|2,0,0]=4 1324 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,1,0|2,0,0]=4 1325 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,1,0|2,0,0]=4 1326 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,1,0|2,0,0]=4 1327 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,1,0|2,0,0]=4 1328 B10R1.54 CC(=O)Cn1cc(cn1)Br 1458a_100000238729_200000210301 [0,1,0,0,1,0|2,0,0]=4 1329 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,1,0,0,1,0|2,0,0]=4 1330 B10R1.54 CC(=O)Cn1cc(cn1)Cl 1458a_100000759256_200000210301 [0,1,0,0,1,0|2,0,0]=4 1331 B10R1.54 CC(=O)Cn1cc(cn1)I 1458a_100012072407_200000210301 [0,1,0,0,1,0|2,0,0]=4 1332 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,1,0,0,1,0|2,0,0]=4 1333 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,1,0,0,1,0|2,0,0]=4 1334 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,1,0,0,1,0|2,0,0]=4 1335 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,1,0,0,1,0|2,0,0]=4 1336 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,1,0|2,0,0]=4 1337 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,1,0|2,0,0]=4 1338 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,1,0|2,0,0]=4 1339 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,1,0|2,0,0]=4 1340 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,1,0|2,0,0]=4 1341 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Br 1458a_100000238729_200025704644 [0,1,0,0,1,0|2,0,0]=4 1342 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Cl 1458a_100000759256_200025704644 [0,1,0,0,1,0|2,0,0]=4 1343 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)I 1458a_100012072407_200025704644 [0,1,0,0,1,0|2,0,0]=4 1344 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,1,0|2,0,0]=4 1345 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,1,0|2,0,0]=4 1346 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,1,0|2,0,0]=4 1347 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,1,0|2,0,0]=4 1348 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,1,0,0,1,0|2,0,0]=4 1349 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,1,0,0,1,0|2,0,0]=4 1350 B12R1.21 C=C(C)CNc1ccc(cn1)Br 27a_100000765925_100000686858 [0,1,0,0,0,1|2,0,0]=4 1351 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,1,0,0,0,1|2,0,0]=4 1352 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000686858_100000211660 [0,1,0,0,0,1|2,0,0]=4 1356 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000748629_100000686858 [0,1,0,0,0,1|2,0,0]=4 1357 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100000748629_100000754016 [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100011192072_100000211660 [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100000748629_100011356976 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100011356976_100000211660 [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000744514_100000211660 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000748629_100000744514 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000737798_100000211660 [0,1,0,0,0,1|2,0,0]=4 1364 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000748629_100000737798 [0,1,0,0,0,1|2,0,0]=4 1365 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000685995_100000211660 [0,1,0,0,0,1|2,0,0]=4 1366 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000748629_100000744096 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.21 C=C(F)COc1ccc(cn1)C 34a_100000759353_100009893438 [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.21 C=C(F)COc1ccc(cn1)Cl 34a_100011215309_100009893438 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.21 C=C(F)COc1ccc(cn1)F 34a_100000742473_100009893438 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.21 C=C(F)COc1ccc(cn1)N 34a_100000729260_100009893438 [0,1,0,0,0,1|2,0,0]=4 1371 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000042424_100000686858 [0,1,0,0,0,1|2,0,0]=4 1372 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000686858_100000042424 [0,1,0,0,0,1|2,0,0]=4 1373 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100000042424_100000754016 [0,1,0,0,0,1|2,0,0]=4 1374 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100011192072_100000042424 [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100000042424_100011356976 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100011356976_100000042424 [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000042424_100000744514 [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000744514_100000042424 [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000042424_100000737798 [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000737798_100000042424 [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000042424_100000744096 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000685995_100000042424 [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,1,0,0,0,1|1,0,1]=4 1384 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,1|2,0,0]=4 1387 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,1|2,0,0]=4 1390 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,1|2,0,0]=4 1391 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,1|2,0,0]=4 1392 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,1|2,0,0]=4 1393 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,1|2,0,0]=4 1394 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,1|2,0,0]=4 1395 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,1|2,0,0]=4 1396 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,1|2,0,0]=4 1397 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,1|2,0,0]=4 1398 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,1|2,0,0]=4 1399 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,1|2,0,0]=4 1400 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,1|2,0,0]=4 1401 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,1|2,0,0]=4 1402 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,1|2,0,0]=4 1403 B12R1.21 CC(=O)COc1ncc(cn1)Br 1458a_200012356291_200000210301 [0,1,0,0,0,1|2,0,0]=4 1404 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,1|2,0,0]=4 1407 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,1|2,0,0]=4 1408 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 1409 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 1410 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 1415 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,1,0,0,0,1|1,0,0]=3 1432 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,1,0,0,0,1|1,0,0]=3 1433 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,1,0,0,0,1|1,0,0]=3 1434 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,1,0,0,0,1|1,0,0]=3 1435 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,1,0,0,0,1|1,0,0]=3 1436 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,1,0,0,0,1|1,0,0]=3 1437 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,1,0,0,0,1|1,0,0]=3 1438 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,1,0,0,0,1|1,0,0]=3 1439 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,1,0,0,0,1|1,0,0]=3 1440 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,1,0,0,0,1|1,0,0]=3 1441 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,1,0,0,0,1|1,0,0]=3 1442 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,1,0,0,0,1|1,0,0]=3 1443 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,1,0,0,0,1|1,0,0]=3 1444 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,1,0,0,0,1|1,0,0]=3 1445 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,1,0,0,0,1|1,0,0]=3 1446 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,1,0,0,0,1|1,0,0]=3 1447 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,1,0,0,0,1|1,0,0]=3 1448 B12R1.21 CC(=O)NCc1cnc(cn1)C 11a_100132314150_100015343762 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.21 CC(=O)NCc1cnc(cn1)C 240690a_100132314150_100015343762 [0,1,0,0,0,1|2,0,0]=4 1450 B12R1.21 CC(=O)NCc1cnc(cn1)C 527a_100132314150_100103153847 [0,1,0,0,0,1|2,0,0]=4 1451 B12R1.21 CC(=O)NCc1ncc(cn1)Br 11a_200016993442_100015343762 [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.21 CC(=O)NCc1ncc(cn1)Br 240690a_200016993442_100015343762 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.21 CC(=O)NCc1ncc(cn1)Br 527a_200016993442_100103153847 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 11a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 1626a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 1456 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 240690a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 1457 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 527a_200015186297_100103153847 [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.21 CC(=O)NNc1ccc(cn1)Br 22a_100000750576_100000070787 [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.21 CC(=O)NNc1ccc(cn1)C 22a_100000746693_100000070787 [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.21 CC(=O)NNc1ccc(cn1)Cl 22a_100011206499_100000070787 [0,1,0,0,0,1|2,0,0]=4 1461 B12R1.21 CC(=O)NNc1ccc(cn1)F 22a_100000753838_100000070787 [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.21 CC(=O)NNc1ccc(cn1)I 22a_100010221006_100000070787 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [0,1,0,0,0,1|1,0,1]=4 1465 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,1,0,0,0,1|1,0,1]=4 1466 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,1,0,0,0,1|1,0,1]=4 1467 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,1,0,0,0,1|1,0,1]=4 1468 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [0,1,0,0,0,1|1,0,1]=4 1469 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [0,1,0,0,0,1|1,0,1]=4 1470 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [0,1,0,0,0,1|1,0,1]=4 1471 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [0,1,0,0,0,1|1,0,1]=4 1472 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [0,1,0,0,0,1|1,0,1]=4 1473 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [0,1,0,0,0,1|1,0,1]=4 1474 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [0,1,0,0,0,1|1,0,1]=4 1475 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [0,1,0,0,0,1|1,0,1]=4 1476 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,1,0,0,0,1|1,0,1]=4 1477 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,1,0,0,0,1|1,0,1]=4 1478 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,1,0,0,0,1|1,0,1]=4 1479 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,1,0,0,0,1|1,0,1]=4 1480 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,1,0,0,0,1|1,0,1]=4 1481 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [0,1,0,0,0,1|1,0,1]=4 1482 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [0,1,0,0,0,1|1,0,1]=4 1483 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [0,1,0,0,0,1|1,0,1]=4 1484 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [0,1,0,0,0,1|1,0,1]=4 1485 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [0,1,0,0,0,1|1,0,1]=4 1486 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [0,1,0,0,0,1|1,0,1]=4 1487 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [0,1,0,0,0,1|1,0,1]=4 1488 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [0,1,0,0,0,1|1,0,1]=4 1489 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,1,0,0,0,1|1,0,1]=4 1490 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,1,0,0,0,1|1,0,1]=4 1491 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,1|2,0,0]=4 1492 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,0,1|2,0,0]=4 1493 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,0,1|1,0,1]=4 1494 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,0,1|2,0,0]=4 1495 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,0,1|2,0,0]=4 1496 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,1|2,0,0]=4 1497 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,1|1,0,1]=4 1498 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,0,1|2,0,0]=4 1499 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,0,1|2,0,0]=4 1500 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,0,1|1,0,1]=4 1502 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,0,1|1,0,1]=4 1503 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,1,0,0,0,1|1,0,0]=3 1504 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,1,0,0,0,1|0,0,1]=3 1505 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,1,0,0,0,1|1,0,1]=4 1506 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,1,0,0,0,1|1,0,1]=4 1507 B12R1.21 Cc1ccc(nc1)OC[N+](=O)[O-] 34a_100000759353_100000761209 [0,1,0,0,0,1|1,0,1]=4 1508 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100000747473_100000754016 [0,1,0,0,0,1|1,0,0]=3 1509 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100011192072_100000747473 [0,1,0,0,0,1|1,0,0]=3 1510 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100011192072_100020667443 [0,1,0,0,0,1|0,0,1]=3 1511 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000754016 [0,1,0,0,0,1|0,0,1]=3 1512 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [0,1,0,0,0,1|1,0,1]=4 1513 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [0,1,0,0,0,1|1,0,1]=4 1514 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [0,1,0,0,0,1|1,0,1]=4 1515 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [0,1,0,0,0,1|1,0,1]=4 1516 B12R1.21 Cc1ccc(nc1)SC[N+](=O)[O-] 62a_100011192072_100000761209 [0,1,0,0,0,1|1,0,1]=4 1517 B12R1.21 Cc1ccc(nn1)SCC(=O)N 62a_100000744512_100000747473 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.21 Cc1ccc(nn1)SCC(=O)N 62a_100000747473_100000744512 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.21 Cc1ccc(nn1)SCC(=O)[O-] 62a_100000744512_100020667443 [0,1,0,0,0,1|1,0,1]=4 1520 B12R1.21 Cc1ccc(nn1)SCC(=O)[O-] 62a_100020667443_100000744512 [0,1,0,0,0,1|1,0,1]=4 1521 B12R1.21 Cc1cnc(cn1)SCC(=O)N 62a_100000747473_100011999403 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.21 Cc1cnc(cn1)SCC(=O)N 62a_100011999403_100000747473 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.21 Cc1cnc(cn1)SCC(=O)[O-] 62a_100011999403_100020667443 [0,1,0,0,0,1|1,0,1]=4 1524 B12R1.21 Cc1cnc(cn1)SCC(=O)[O-] 62a_100020667443_100011999403 [0,1,0,0,0,1|1,0,1]=4 1525 B12R1.21 Cc1cnc(nc1)SCC(=O)N 62a_100000061069_100000747473 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.21 Cc1cnc(nc1)SCC(=O)N 62a_100000747473_100000061069 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.21 Cc1cnc(nc1)SCC(=O)[O-] 62a_100000061069_100020667443 [0,1,0,0,0,1|1,0,1]=4 1528 B12R1.21 Cc1cnc(nc1)SCC(=O)[O-] 62a_100020667443_100000061069 [0,1,0,0,0,1|1,0,1]=4 1529 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,0,1|2,0,0]=4 1535 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,0,1|2,0,0]=4 1541 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,0,1|2,0,0]=4 1542 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,0,1|2,0,0]=4 1543 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,0,1|2,0,0]=4 1545 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,1,0,0,0,1|1,0,0]=3 1546 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,1,0,0,0,1|1,0,0]=3 1547 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,1,0,0,0,1|1,0,0]=3 1548 B12R1.21 NC(=O)COc1cnc(cn1)Br 34a_100011934580_100000187820 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.21 NC(=O)COc1cnc(cn1)Cl 34a_100015839800_100000187820 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.21 NC(=O)COc1ncc(cn1)F 34a_100011934040_100000187820 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.21 NC(=O)CSc1ccc(=O)[nH]n1 62a_100000747473_100009820020 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.21 NC(=O)CSc1ccc(=O)[nH]n1 62a_100009820020_100000747473 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747473 [0,1,0,0,0,1|1,0,0]=3 1564 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000747473_100000686858 [0,1,0,0,0,1|1,0,0]=3 1565 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100000747473_100011356976 [0,1,0,0,0,1|1,0,0]=3 1566 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747473 [0,1,0,0,0,1|1,0,0]=3 1567 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747473 [0,1,0,0,0,1|1,0,0]=3 1568 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000747473_100000744514 [0,1,0,0,0,1|1,0,0]=3 1569 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747473 [0,1,0,0,0,1|1,0,0]=3 1570 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000747473_100000737798 [0,1,0,0,0,1|1,0,0]=3 1571 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,1,0,0,0,1|1,0,0]=3 1572 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,1,0,0,0,1|1,0,0]=3 1573 B12R1.21 NC(=O)CSc1ccc(nn1)Cl 62a_100000068654_100000747473 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.21 NC(=O)CSc1ccc(nn1)Cl 62a_100000747473_100000068654 [0,1,0,0,0,1|2,0,0]=4 1575 B12R1.21 NC(=O)CSc1ccc(nn1)N 62a_100000747473_100010219413 [0,1,0,0,0,1|2,0,0]=4 1576 B12R1.21 NC(=O)CSc1ccc(nn1)N 62a_100010219413_100000747473 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.21 NC(=O)CSc1cnc(cn1)Br 62a_100000747473_100010187541 [0,1,0,0,0,1|2,0,0]=4 1578 B12R1.21 NC(=O)CSc1cnc(cn1)Br 62a_100010187541_100000747473 [0,1,0,0,0,1|2,0,0]=4 1579 B12R1.21 NC(=O)CSc1cnc(cn1)Cl 62a_100000747473_100010214907 [0,1,0,0,0,1|2,0,0]=4 1580 B12R1.21 NC(=O)CSc1cnc(cn1)Cl 62a_100010214907_100000747473 [0,1,0,0,0,1|2,0,0]=4 1581 B12R1.21 NC(=O)CSc1cnc(cn1)F 62a_100000747473_100009856528 [0,1,0,0,0,1|2,0,0]=4 1582 B12R1.21 NC(=O)CSc1cnc(cn1)F 62a_100009856528_100000747473 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.21 NC(=O)CSc1cnc(cn1)N 62a_100000744751_100000747473 [0,1,0,0,0,1|2,0,0]=4 1584 B12R1.21 NC(=O)CSc1cnc(cn1)N 62a_100000747473_100000744751 [0,1,0,0,0,1|2,0,0]=4 1585 B12R1.21 NC(=O)CSc1cnc(cn1)O 62a_100000747473_100015839800 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.21 NC(=O)CSc1cnc(cn1)O 62a_100011934580_100000747473 [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.21 NC(=O)CSc1ncc(cn1)Br 62a_100000690281_100000747473 [0,1,0,0,0,1|2,0,0]=4 1588 B12R1.21 NC(=O)CSc1ncc(cn1)Br 62a_100000747473_100000690281 [0,1,0,0,0,1|2,0,0]=4 1589 B12R1.21 NC(=O)CSc1ncc(cn1)Cl 62a_100000747473_100011356929 [0,1,0,0,0,1|2,0,0]=4 1590 B12R1.21 NC(=O)CSc1ncc(cn1)Cl 62a_100011356929_100000747473 [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.21 NC(=O)CSc1ncc(cn1)F 62a_100000685220_100000747473 [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.21 NC(=O)CSc1ncc(cn1)F 62a_100000747473_100000685220 [0,1,0,0,0,1|2,0,0]=4 1593 B12R1.21 NC(=O)CSc1ncc(cn1)N 62a_100000068403_100000747473 [0,1,0,0,0,1|2,0,0]=4 1594 B12R1.21 NC(=O)CSc1ncc(cn1)N 62a_100000747473_100000068403 [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.21 NC(=O)CSc1ncc(cn1)O 62a_100000730009_100000747473 [0,1,0,0,0,1|2,0,0]=4 1596 B12R1.21 NC(=O)CSc1ncc(cn1)O 62a_100000747473_100000092845 [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,1|1,0,1]=4 1598 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,0,1|1,0,1]=4 1599 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,0,1|1,0,1]=4 1600 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,1,0,0,0,1|0,0,1]=3 1601 B12R1.21 Nc1ccc(nc1)OC[N+](=O)[O-] 34a_100000729260_100000761209 [0,1,0,0,0,1|1,0,1]=4 1602 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100000737798_100020667443 [0,1,0,0,0,1|0,0,1]=3 1603 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000737798 [0,1,0,0,0,1|0,0,1]=3 1604 B12R1.21 Nc1ccc(nc1)SC[N+](=O)[O-] 62a_100000737798_100000761209 [0,1,0,0,0,1|1,0,1]=4 1605 B12R1.21 Nc1ccc(nn1)SCC(=O)[O-] 62a_100010219413_100020667443 [0,1,0,0,0,1|1,0,1]=4 1606 B12R1.21 Nc1ccc(nn1)SCC(=O)[O-] 62a_100020667443_100010219413 [0,1,0,0,0,1|1,0,1]=4 1607 B12R1.21 Nc1cnc(cn1)SCC(=O)[O-] 62a_100000744751_100020667443 [0,1,0,0,0,1|1,0,1]=4 1608 B12R1.21 Nc1cnc(cn1)SCC(=O)[O-] 62a_100020667443_100000744751 [0,1,0,0,0,1|1,0,1]=4 1609 B12R1.21 Nc1cnc(nc1)SCC(=O)[O-] 62a_100000068403_100020667443 [0,1,0,0,0,1|1,0,1]=4 1610 B12R1.21 Nc1cnc(nc1)SCC(=O)[O-] 62a_100020667443_100000068403 [0,1,0,0,0,1|1,0,1]=4 1611 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,0,1|1,0,1]=4 1612 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,1|1,0,1]=4 1613 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,0,1|1,0,1]=4 1614 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,0,1|1,0,1]=4 1615 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,0,1|1,0,1]=4 1616 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,1|1,0,1]=4 1617 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,1|1,0,1]=4 1618 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,1|1,0,1]=4 1619 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,1|1,0,1]=4 1620 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,1,0,0,0,1|0,0,1]=3 1621 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,1,0,0,0,1|0,0,1]=3 1622 B12R1.21 O=C([O-])COc1cnc(cn1)Br 34a_100011934580_100020667443 [0,1,0,0,0,1|1,0,1]=4 1623 B12R1.21 O=C([O-])COc1cnc(cn1)Cl 34a_100015839800_100020667443 [0,1,0,0,0,1|1,0,1]=4 1624 B12R1.21 O=C([O-])COc1ncc(cn1)F 34a_100011934040_100020667443 [0,1,0,0,0,1|1,0,1]=4 1625 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]n1 62a_100009820020_100020667443 [0,1,0,0,0,1|1,0,1]=4 1626 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]n1 62a_100020667443_100009820020 [0,1,0,0,0,1|1,0,1]=4 1627 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,0,1|1,0,1]=4 1628 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,0,1|1,0,1]=4 1629 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,1|1,0,1]=4 1630 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,1|1,0,1]=4 1631 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,0,1|1,0,1]=4 1632 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,0,1|1,0,1]=4 1633 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,0,1|1,0,1]=4 1634 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100000686858_100020667443 [0,1,0,0,0,1|0,0,1]=3 1635 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100020667443_100000686858 [0,1,0,0,0,1|0,0,1]=3 1636 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100011356976_100020667443 [0,1,0,0,0,1|0,0,1]=3 1637 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100020667443_100011356976 [0,1,0,0,0,1|0,0,1]=3 1638 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100000744514_100020667443 [0,1,0,0,0,1|0,0,1]=3 1639 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100020667443_100000744514 [0,1,0,0,0,1|0,0,1]=3 1640 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,1,0,0,0,1|0,0,1]=3 1641 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,1,0,0,0,1|0,0,1]=3 1642 B12R1.21 O=C([O-])CSc1ccc(nn1)Cl 62a_100000068654_100020667443 [0,1,0,0,0,1|1,0,1]=4 1643 B12R1.21 O=C([O-])CSc1ccc(nn1)Cl 62a_100020667443_100000068654 [0,1,0,0,0,1|1,0,1]=4 1644 B12R1.21 O=C([O-])CSc1cnc(cn1)Br 62a_100010187541_100020667443 [0,1,0,0,0,1|1,0,1]=4 1645 B12R1.21 O=C([O-])CSc1cnc(cn1)Br 62a_100020667443_100010187541 [0,1,0,0,0,1|1,0,1]=4 1646 B12R1.21 O=C([O-])CSc1cnc(cn1)Cl 62a_100010214907_100020667443 [0,1,0,0,0,1|1,0,1]=4 1647 B12R1.21 O=C([O-])CSc1cnc(cn1)Cl 62a_100020667443_100010214907 [0,1,0,0,0,1|1,0,1]=4 1648 B12R1.21 O=C([O-])CSc1cnc(cn1)F 62a_100009856528_100020667443 [0,1,0,0,0,1|1,0,1]=4 1649 B12R1.21 O=C([O-])CSc1cnc(cn1)F 62a_100020667443_100009856528 [0,1,0,0,0,1|1,0,1]=4 1650 B12R1.21 O=C([O-])CSc1cnc(cn1)O 62a_100011934580_100020667443 [0,1,0,0,0,1|1,0,1]=4 1651 B12R1.21 O=C([O-])CSc1cnc(cn1)O 62a_100020667443_100015839800 [0,1,0,0,0,1|1,0,1]=4 1652 B12R1.21 O=C([O-])CSc1ncc(cn1)Br 62a_100000690281_100020667443 [0,1,0,0,0,1|1,0,1]=4 1653 B12R1.21 O=C([O-])CSc1ncc(cn1)Br 62a_100020667443_100000690281 [0,1,0,0,0,1|1,0,1]=4 1654 B12R1.21 O=C([O-])CSc1ncc(cn1)Cl 62a_100011356929_100020667443 [0,1,0,0,0,1|1,0,1]=4 1655 B12R1.21 O=C([O-])CSc1ncc(cn1)Cl 62a_100020667443_100011356929 [0,1,0,0,0,1|1,0,1]=4 1656 B12R1.21 O=C([O-])CSc1ncc(cn1)F 62a_100000685220_100020667443 [0,1,0,0,0,1|1,0,1]=4 1657 B12R1.21 O=C([O-])CSc1ncc(cn1)F 62a_100020667443_100000685220 [0,1,0,0,0,1|1,0,1]=4 1658 B12R1.21 O=C([O-])CSc1ncc(cn1)O 62a_100000730009_100020667443 [0,1,0,0,0,1|1,0,1]=4 1659 B12R1.21 O=C([O-])CSc1ncc(cn1)O 62a_100020667443_100000092845 [0,1,0,0,0,1|1,0,1]=4 1660 B12R1.21 O=[N+]([O-])COc1ccc(cn1)Cl 34a_100011215309_100000761209 [0,1,0,0,0,1|1,0,1]=4 1661 B12R1.21 O=[N+]([O-])COc1ccc(cn1)F 34a_100000742473_100000761209 [0,1,0,0,0,1|1,0,1]=4 1662 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)Br 62a_100000686858_100000761209 [0,1,0,0,0,1|1,0,1]=4 1663 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)Cl 62a_100011356976_100000761209 [0,1,0,0,0,1|1,0,1]=4 1664 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)F 62a_100000744514_100000761209 [0,1,0,0,0,1|1,0,1]=4 1665 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)O 62a_100000685995_100000761209 [0,1,0,0,0,1|1,0,1]=4 1666 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,1,0,0,0,1|1,0,1]=4 1667 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.21 [13CH3]C(=O)COc1ncc(cn1)Br 1458a_200012356291_200025704644 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,1,0,0,0,1|1,0,0]=3 1684 B12R1.27 C=C(C#N)CSc1ccccn1 62a_100011216584_100000694840 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,1,0,0,0,1|1,0,0]=3 1687 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.27 C=CC(=O)NCc1ccccn1 1626a_100000210449_100000185746 [0,1,0,0,0,1|1,0,0]=3 1690 B12R1.27 C=CC(=O)NCc1ccccn1 240690a_100000210449_200121576911 [0,1,0,0,0,1|1,0,0]=3 1691 B12R1.27 C=CC(=O)NCc1cccnn1 240690a_100159270163_200121576911 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.27 C=CC(=O)NCc1ccncn1 240690a_100000736019_200121576911 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.27 C=CC(=O)NCc1cnccn1 240690a_100000737960_200121576911 [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.27 C=CC(=O)NCc1ncccn1 240690a_100015189908_200121576911 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.27 C=CC(=O)NNc1ccccn1 22a_100000183288_100000185746 [0,1,0,0,0,1|2,0,0]=4 1696 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,1,0,0,0,1|1,0,1]=4 1697 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,1,0,0,0,1|1,0,1]=4 1698 B12R1.27 CC(=NNc1ccccn1)CO 4a_100000183288_100000211253 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,1,0,0,0,1|1,0,1]=4 1700 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,1,0,0,0,1|1,0,1]=4 1701 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,1,0,0,0,1|1,0,1]=4 1702 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|1,0,0]=3 1705 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|1,0,0]=3 1706 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,1,0,0,0,1|1,0,0]=3 1709 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,1,0,0,0,1|1,0,0]=3 1713 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,1,0,0,0,1|1,0,0]=3 1714 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,1,0,0,0,1|1,0,0]=3 1715 B12R1.27 CCC(=O)CSc1cccnn1 62a_100000747405_100016991348 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.27 CCC(=O)CSc1cccnn1 62a_100016991348_100000747405 [0,1,0,0,0,1|2,0,0]=4 1717 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000703185_100000747405 [0,1,0,0,0,1|2,0,0]=4 1718 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000747405_100000703185 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000211759_100000747405 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000747405_100000211759 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000211032_100000747405 [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000747405_100000211032 [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,1,0,0,0,1|1,0,0]=3 1728 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,1,0,0,0,1|1,0,0]=3 1729 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,1,0,0,0,1|1,0,0]=3 1730 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,1,0,0,0,1|1,0,0]=3 1731 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 1733 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 1734 B12R1.27 CCC(=O)NCc1ccncn1 11a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.27 CCC(=O)NCc1ccncn1 240690a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.27 CCC(=O)NCc1ccncn1 527a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 1739 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.27 CCC(=O)NCc1ncccn1 11a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.27 CCC(=O)NCc1ncccn1 240690a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.27 CCC(=O)NCc1ncccn1 527a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,1,0,0,0,1|1,0,1]=4 1745 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,1,0,0,0,1|1,0,1]=4 1746 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,1,0,0,0,1|1,0,1]=4 1747 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,1,0,0,0,1|1,0,1]=4 1748 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,1|1,0,0]=3 1753 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,1|1,0,0]=3 1754 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,1|1,0,0]=3 1755 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.27 CNC(=O)CNc1cccnn1 27a_100000693194_100016991348 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.27 CNC(=O)CNc1ccncn1 27a_100000693194_100000703185 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.27 CNC(=O)CNc1cnccn1 27a_100000693194_100000211759 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.27 CNC(=O)CNc1ncccn1 27a_100000693194_100000211032 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,1|2,0,0]=4 1766 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,1,0,0,0,1|1,0,0]=3 1767 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,1,0,0,0,1|1,0,0]=3 1768 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,1,0,0,0,1|1,0,0]=3 1769 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,1|2,0,0]=4 1770 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,1,0,0,0,1|1,0,0]=3 1776 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,1,0,0,0,1|1,0,0]=3 1777 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,1,0,0,0,1|1,0,0]=3 1778 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,1,0,0,0,1|1,0,0]=3 1779 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,1,0,0,0,1|1,0,0]=3 1780 B12R1.27 CNC(=O)CSc1cccnn1 62a_100000183359_100016991348 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.27 CNC(=O)CSc1cccnn1 62a_100016991348_100000183359 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000183359_100000703185 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000703185_100000183359 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000183359_100000211759 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000211759_100000183359 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.27 CNC(=O)CSc1ncccn1 240690a_100102657272_200000156282 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000183359_100000211032 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000211032_100000183359 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,1,0,0,0,1|1,0,0]=3 1796 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,1,0,0,0,1|1,0,0]=3 1797 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,1,0,0,0,1|1,0,0]=3 1798 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,1,0,0,0,1|1,0,0]=3 1799 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,1,0,0,0,1|1,0,0]=3 1800 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,1|1,0,0]=3 1825 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,1|1,0,0]=3 1826 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,1|1,0,0]=3 1827 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,1|1,0,0]=3 1831 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,1|1,0,0]=3 1832 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,1|0,0,0]=2 1833 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,1|0,0,0]=2 1834 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,1,0,0,0,1|1,0,0]=3 1837 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,1,0,0,0,1|1,0,0]=3 1838 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,1,0,0,0,1|1,0,0]=3 1841 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,1,0,0,0,1|1,0,0]=3 1842 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,1,0,0,0,1|1,0,0]=3 1843 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,1,0,0,0,1|1,0,0]=3 1844 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,1,0,0,0,1|1,0,0]=3 1845 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,1,0,0,0,1|1,0,0]=3 1846 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,1,0,0,0,1|1,0,1]=4 1847 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,1,0,0,0,1|1,0,1]=4 1848 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,1,0,0,0,1|1,0,1]=4 1849 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,1,0,0,0,1|1,0,1]=4 1850 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,1,0,0,0,1|1,0,1]=4 1851 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,1,0,0,0,1|1,0,1]=4 1852 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,1,0,0,0,1|1,0,1]=4 1853 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,1,0,0,0,1|1,0,1]=4 1854 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,1,0,0,0,1|1,0,1]=4 1855 B12R1.27 O=C(C#Cc1ccccn1)CF 1458a_102125277312_100015361967 [0,1,0,0,0,1|1,0,1]=4 1856 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,1,0,0,0,1|1,0,1]=4 1857 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,1|1,0,0]=3 1859 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,1,0,0,0,1|1,0,0]=3 1861 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,1|2,0,0]=4 1862 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,1,0,0,0,1|1,0,0]=3 1863 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,1|1,0,0]=3 1864 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,1|0,0,0]=2 1865 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,1|2,0,0]=4 1866 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,1|1,0,0]=3 1868 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,1|1,0,0]=3 1869 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,1|0,0,0]=2 1870 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,1|0,0,0]=2 1871 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.27 O=C(CO)NCc1cccnn1 240690a_100159270163_100000210174 [0,1,0,0,0,1|1,0,0]=3 1874 B12R1.27 O=C(CO)NCc1cccnn1 527a_100159270163_100000210174 [0,1,0,0,0,1|1,0,0]=3 1875 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.27 O=C(CO)NCc1ccncn1 240690a_100000736019_100000210174 [0,1,0,0,0,1|1,0,0]=3 1878 B12R1.27 O=C(CO)NCc1ccncn1 527a_100000736019_100000210174 [0,1,0,0,0,1|1,0,0]=3 1879 B12R1.27 O=C(CO)NCc1cnccn1 240690a_100000737960_100000210174 [0,1,0,0,0,1|1,0,0]=3 1880 B12R1.27 O=C(CO)NCc1cnccn1 527a_100000737960_100000210174 [0,1,0,0,0,1|1,0,0]=3 1881 B12R1.27 O=C(CO)NCc1ncccn1 240690a_100015189908_100000210174 [0,1,0,0,0,1|1,0,0]=3 1882 B12R1.27 O=C(CO)NCc1ncccn1 527a_100015189908_100000210174 [0,1,0,0,0,1|1,0,0]=3 1883 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,1,0,0,0,1|1,0,0]=3 1885 B12R1.27 O=C(CO)NNc1cccnn1 22a_100000757824_100000210174 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.27 O=C(CO)NNc1ccncn1 22a_100011438088_100000210174 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.27 O=C(CO)NNc1cnccn1 22a_100000736894_100000210174 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.27 O=C(CO)NNc1ncccn1 22a_100000736892_100000210174 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,1,0,0,0,1|0,0,2]=4 1890 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,1,0,0,0,1|0,0,2]=4 1891 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,1,0,0,0,1|0,0,2]=4 1892 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,1,0,0,0,1|0,0,2]=4 1893 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,1,0,0,0,1|1,0,1]=4 1894 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,1,0,0,0,1|1,0,1]=4 1895 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,1|1,0,1]=4 1896 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,1|1,0,1]=4 1898 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|1,0,0]=3 1901 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,1|2,0,0]=4 1902 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,1|2,0,0]=4 1906 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,1|1,0,0]=3 1907 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,1|1,0,0]=3 1908 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,1|1,0,0]=3 1909 B12R1.43 CC(=O)C(C)Sc1cccnn1 62a_100009814033_100016991348 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.43 CC(=O)C(C)Sc1cccnn1 62a_100016991348_100009814033 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.43 CC(=O)C(C)Sc1ccncn1 62a_100000703185_100009814033 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.43 CC(=O)C(C)Sc1ccncn1 62a_100009814033_100000703185 [0,1,0,0,0,1|2,0,0]=4 1913 B12R1.43 CC(=O)C(C)Sc1cnccn1 62a_100000211759_100009814033 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.43 CC(=O)C(C)Sc1cnccn1 62a_100009814033_100000211759 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.43 CC(=O)C(C)Sc1ncccn1 62a_100000211032_100009814033 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.43 CC(=O)C(C)Sc1ncccn1 62a_100009814033_100000211032 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,1|1,0,0]=3 1922 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,1|1,0,0]=3 1923 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,1|1,0,0]=3 1924 B12R1.43 CC(=O)N(C)Cc1cnccn1 11a_100011269079_100015343762 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.43 CC(=O)N(C)Cc1cnccn1 240690a_100011269079_100015343762 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.43 CC(=O)N(C)Cc1cnccn1 527a_100011269079_100103153847 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.43 CC(=O)N(C)Cc1ncccn1 11a_100025716638_100015343762 [0,1,0,0,0,1|2,0,0]=4 1928 B12R1.43 CC(=O)N(C)Cc1ncccn1 240690a_100025716638_100015343762 [0,1,0,0,0,1|2,0,0]=4 1929 B12R1.43 CC(=O)N(C)Cc1ncccn1 527a_100025716638_100103153847 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|1,0,0]=3 1933 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,1|2,0,0]=4 1937 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,1,0,0,0,1|1,0,0]=3 1941 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,1,0,0,0,1|1,0,0]=3 1942 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,1|1,0,0]=3 1943 B12R1.43 CC(Sc1cccnn1)C(=O)N 62a_100000702099_100016991348 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.43 CC(Sc1cccnn1)C(=O)N 62a_100016991348_100000702099 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.43 CC(Sc1ccncn1)C(=O)N 62a_100000702099_100000703185 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.43 CC(Sc1ccncn1)C(=O)N 62a_100000703185_100000702099 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.43 CC(Sc1cnccn1)C(=O)N 62a_100000211759_100000702099 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.43 CC(Sc1cnccn1)C(=O)N 62a_100000702099_100000211759 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.43 CC(Sc1ncccn1)C(=O)N 62a_100000211032_100000702099 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.43 CC(Sc1ncccn1)C(=O)N 62a_100000702099_100000211032 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.43 C[C@@H](Nc1cccnn1)C(=O)N 27a_100000119354_100016991348 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.43 C[C@@H](Nc1ccncn1)C(=O)N 27a_100000119354_100000703185 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.43 C[C@@H](Nc1cnccn1)C(=O)N 27a_100000119354_100000211759 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.43 C[C@@H](Nc1ncccn1)C(=O)N 27a_100000119354_100000211032 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,1|1,0,1]=4 1956 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,1|1,0,1]=4 1957 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100009813875_100011216584 [0,1,0,0,0,1|1,0,0]=3 1963 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813875 [0,1,0,0,0,1|1,0,0]=3 1964 B12R1.43 NC(=O)C(F)Sc1cccnn1 62a_100009813875_100016991348 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.43 NC(=O)C(F)Sc1cccnn1 62a_100016991348_100009813875 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.43 NC(=O)C(F)Sc1ccncn1 62a_100000703185_100009813875 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.43 NC(=O)C(F)Sc1ccncn1 62a_100009813875_100000703185 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.43 NC(=O)C(F)Sc1cnccn1 62a_100000211759_100009813875 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.43 NC(=O)C(F)Sc1cnccn1 62a_100009813875_100000211759 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.43 NC(=O)C(F)Sc1ncccn1 62a_100000211032_100009813875 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.43 NC(=O)C(F)Sc1ncccn1 62a_100009813875_100000211032 [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,1,0,0,0,1|0,0,2]=4 1973 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,1|1,0,1]=4 1974 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,1|1,0,1]=4 1975 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,1|1,0,1]=4 1976 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,1|1,0,1]=4 1977 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100011216584_100020610796 [0,1,0,0,0,1|0,0,1]=3 1978 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100020610796_100011216584 [0,1,0,0,0,1|0,0,1]=3 1979 B12R1.43 O=C([O-])C(F)Sc1cccnn1 62a_100016991348_100020610796 [0,1,0,0,0,1|1,0,1]=4 1980 B12R1.43 O=C([O-])C(F)Sc1cccnn1 62a_100020610796_100016991348 [0,1,0,0,0,1|1,0,1]=4 1981 B12R1.43 O=C([O-])C(F)Sc1ccncn1 62a_100000703185_100020610796 [0,1,0,0,0,1|1,0,1]=4 1982 B12R1.43 O=C([O-])C(F)Sc1ccncn1 62a_100020610796_100000703185 [0,1,0,0,0,1|1,0,1]=4 1983 B12R1.43 O=C([O-])C(F)Sc1cnccn1 62a_100000211759_100020610796 [0,1,0,0,0,1|1,0,1]=4 1984 B12R1.43 O=C([O-])C(F)Sc1cnccn1 62a_100020610796_100000211759 [0,1,0,0,0,1|1,0,1]=4 1985 B12R1.43 O=C([O-])C(F)Sc1ncccn1 62a_100000211032_100020610796 [0,1,0,0,0,1|1,0,1]=4 1986 B12R1.43 O=C([O-])C(F)Sc1ncccn1 62a_100020610796_100000211032 [0,1,0,0,0,1|1,0,1]=4 1987 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,1|1,0,0]=3 1990 B12R1.107 CC(=O)CC(=O)c1ncccn1 1458a_100000070787_100020636365 [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.107 CC(=O)CN(C)c1ncccn1 1458a_200000737684_200000210301 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,0,1|1,0,0]=3 1999 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,0,1|1,0,0]=3 2000 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,0,1|1,0,0]=3 2001 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,0,1|1,0,0]=3 2002 B12R1.107 CC(=O)NC(C)c1ncccn1 11a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.107 CC(=O)NC(C)c1ncccn1 1626a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 2004 B12R1.107 CC(=O)NC(C)c1ncccn1 240690a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 2005 B12R1.107 CC(=O)NC(C)c1ncccn1 527a_100020641698_100103153847 [0,1,0,0,0,1|2,0,0]=4 2006 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2011 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2012 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,1|2,0,0]=4 2014 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,0,1|2,0,0]=4 2017 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,0,1|2,0,0]=4 2018 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,0,1|2,0,0]=4 2019 B12R1.107 CN(CC(=O)N)c1cccnn1 27a_100000739694_100016991348 [0,1,0,0,0,1|2,0,0]=4 2020 B12R1.107 CN(CC(=O)N)c1ccncn1 27a_100000739694_100000703185 [0,1,0,0,0,1|2,0,0]=4 2021 B12R1.107 CN(CC(=O)N)c1cnccn1 27a_100000739694_100000211759 [0,1,0,0,0,1|2,0,0]=4 2022 B12R1.107 CN(CC(=O)N)c1ncccn1 27a_100000739694_100000211032 [0,1,0,0,0,1|2,0,0]=4 2023 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,1|1,0,0]=3 2024 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,1|2,0,0]=4 2025 B12R1.107 CN(CC(=O)[13CH3])c1ncccn1 1458a_200000737684_200025704644 [0,1,0,0,0,1|2,0,0]=4 2026 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,1|1,0,1]=4 2027 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,1|1,0,1]=4 2028 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,1|1,0,1]=4 2030 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,1|1,0,0]=3 2034 B12R1.125 C=C(C)CNc1ncccc1Br 27a_100000765925_100000696092 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.125 C=C(C)COc1ncccc1F 34a_100011219419_100000748629 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.125 C=C(C)COc1ncccc1N 34a_100000746358_100000748629 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000696092_100000211660 [0,1,0,0,0,1|2,0,0]=4 2039 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000748629_100000696092 [0,1,0,0,0,1|2,0,0]=4 2040 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,1,0,0,0,1|2,0,0]=4 2041 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,1,0,0,0,1|2,0,0]=4 2042 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100000748629_100011356963 [0,1,0,0,0,1|2,0,0]=4 2043 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100011356963_100000211660 [0,1,0,0,0,1|2,0,0]=4 2044 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000685392_100000211660 [0,1,0,0,0,1|2,0,0]=4 2045 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000748629_100000685392 [0,1,0,0,0,1|2,0,0]=4 2046 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000688686_100000211660 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000748629_100000688686 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000034122_100000211660 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000748629_100000034122 [0,1,0,0,0,1|2,0,0]=4 2050 B12R1.125 C=C(F)COc1ncccc1Cl 34a_100011290957_100009893438 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.125 C=C(F)COc1ncccc1F 34a_100011219419_100009893438 [0,1,0,0,0,1|2,0,0]=4 2052 B12R1.125 C=C(F)COc1ncccc1N 34a_100000746358_100009893438 [0,1,0,0,0,1|2,0,0]=4 2053 B12R1.125 C=C(F)CSc1ncccc1Br 62a_100000042424_100000696092 [0,1,0,0,0,1|2,0,0]=4 2054 B12R1.125 C=C(F)CSc1ncccc1Br 62a_100000696092_100000042424 [0,1,0,0,0,1|2,0,0]=4 2055 B12R1.125 C=C(F)CSc1ncccc1C 62a_100000042424_100000751373 [0,1,0,0,0,1|2,0,0]=4 2056 B12R1.125 C=C(F)CSc1ncccc1C 62a_100000751373_100000042424 [0,1,0,0,0,1|2,0,0]=4 2057 B12R1.125 C=C(F)CSc1ncccc1Cl 62a_100000042424_100011356963 [0,1,0,0,0,1|2,0,0]=4 2058 B12R1.125 C=C(F)CSc1ncccc1Cl 62a_100011356963_100000042424 [0,1,0,0,0,1|2,0,0]=4 2059 B12R1.125 C=C(F)CSc1ncccc1F 62a_100000042424_100000685392 [0,1,0,0,0,1|2,0,0]=4 2060 B12R1.125 C=C(F)CSc1ncccc1F 62a_100000685392_100000042424 [0,1,0,0,0,1|2,0,0]=4 2061 B12R1.125 C=C(F)CSc1ncccc1N 62a_100000042424_100000688686 [0,1,0,0,0,1|2,0,0]=4 2062 B12R1.125 C=C(F)CSc1ncccc1N 62a_100000688686_100000042424 [0,1,0,0,0,1|2,0,0]=4 2063 B12R1.125 C=C(F)CSc1ncccc1O 62a_100000034122_100000042424 [0,1,0,0,0,1|2,0,0]=4 2064 B12R1.125 C=C(F)CSc1ncccc1O 62a_100000042424_100000034122 [0,1,0,0,0,1|2,0,0]=4 2065 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,1|2,0,0]=4 2066 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,1|2,0,0]=4 2067 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,1|2,0,0]=4 2068 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,1|2,0,0]=4 2069 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,1|2,0,0]=4 2070 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,1|2,0,0]=4 2071 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,1|2,0,0]=4 2072 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,1|2,0,0]=4 2073 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,1|2,0,0]=4 2074 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,1|2,0,0]=4 2075 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,1|2,0,0]=4 2076 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,1|2,0,0]=4 2077 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,1|2,0,0]=4 2078 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,1|2,0,0]=4 2079 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,1|2,0,0]=4 2080 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,1|2,0,0]=4 2081 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,1|2,0,0]=4 2082 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,1|2,0,0]=4 2083 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,1|2,0,0]=4 2084 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 2087 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,1|2,0,0]=4 2088 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2089 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2090 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2091 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,1|2,0,0]=4 2092 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2093 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2094 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2095 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,1|2,0,0]=4 2096 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 2097 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 2098 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 2099 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,1|2,0,0]=4 2100 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 2101 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 2102 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 2103 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,1|2,0,0]=4 2104 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,1|2,0,0]=4 2105 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,1|2,0,0]=4 2106 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,1|2,0,0]=4 2107 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,1,0,0,0,1|1,0,0]=3 2108 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,1,0,0,0,1|1,0,0]=3 2109 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,1,0,0,0,1|1,0,0]=3 2110 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2111 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2112 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2113 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,1,0,0,0,1|1,0,0]=3 2114 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,1,0,0,0,1|1,0,0]=3 2115 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,1,0,0,0,1|1,0,0]=3 2116 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,1,0,0,0,1|1,0,0]=3 2117 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,1,0,0,0,1|1,0,0]=3 2118 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,1,0,0,0,1|1,0,0]=3 2119 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,1,0,0,0,1|1,0,0]=3 2120 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,1,0,0,0,1|1,0,0]=3 2121 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,1,0,0,0,1|1,0,0]=3 2122 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,1,0,0,0,1|2,0,0]=4 2123 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,1,0,0,0,1|2,0,0]=4 2124 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,1,0,0,0,1|2,0,0]=4 2125 B12R1.125 CC(=O)NCc1nccnc1Cl 11a_100000729963_100015343762 [0,1,0,0,0,1|2,0,0]=4 2126 B12R1.125 CC(=O)NCc1nccnc1Cl 240690a_100000729963_100015343762 [0,1,0,0,0,1|2,0,0]=4 2127 B12R1.125 CC(=O)NCc1nccnc1Cl 527a_100000729963_100103153847 [0,1,0,0,0,1|2,0,0]=4 2128 B12R1.125 CC(=O)NNc1ncccc1Br 22a_100011464834_100000070787 [0,1,0,0,0,1|2,0,0]=4 2129 B12R1.125 CC(=O)NNc1ncccc1C 22a_100000708268_100000070787 [0,1,0,0,0,1|2,0,0]=4 2130 B12R1.125 CC(=O)NNc1ncccc1Cl 22a_100000741667_100000070787 [0,1,0,0,0,1|2,0,0]=4 2131 B12R1.125 CC(=O)NNc1ncccc1F 22a_100000717775_100000070787 [0,1,0,0,0,1|2,0,0]=4 2132 B12R1.125 CC(=O)NNc1ncccc1I 22a_100010221029_100000070787 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.125 CC(O)CNc1ncccc1Br 27a_100000210904_100000696092 [0,1,0,0,0,1|1,0,1]=4 2134 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,1,0,0,0,1|1,0,1]=4 2135 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,1,0,0,0,1|1,0,1]=4 2136 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,1,0,0,0,1|1,0,1]=4 2137 B12R1.125 CC(O)CSc1ncccc1Br 62a_100000696092_100011218427 [0,1,0,0,0,1|1,0,1]=4 2138 B12R1.125 CC(O)CSc1ncccc1Br 62a_100011218427_100000696092 [0,1,0,0,0,1|1,0,1]=4 2139 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,1,0,0,0,1|1,0,1]=4 2140 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,1,0,0,0,1|1,0,1]=4 2141 B12R1.125 CC(O)CSc1ncccc1F 62a_100000685392_100011218427 [0,1,0,0,0,1|1,0,1]=4 2142 B12R1.125 CC(O)CSc1ncccc1F 62a_100011218427_100000685392 [0,1,0,0,0,1|1,0,1]=4 2143 B12R1.125 CC(O)CSc1ncccc1N 62a_100000688686_100011218427 [0,1,0,0,0,1|1,0,1]=4 2144 B12R1.125 CC(O)CSc1ncccc1N 62a_100011218427_100000688686 [0,1,0,0,0,1|1,0,1]=4 2145 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,1,0,0,0,1|1,0,1]=4 2146 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,1,0,0,0,1|1,0,1]=4 2147 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,1,0,0,0,1|1,0,1]=4 2148 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,1,0,0,0,1|1,0,1]=4 2149 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,1,0,0,0,1|1,0,1]=4 2150 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100000696092_100009817552 [0,1,0,0,0,1|1,0,1]=4 2151 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100009817552_100000696092 [0,1,0,0,0,1|1,0,1]=4 2152 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,1,0,0,0,1|1,0,1]=4 2153 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,1,0,0,0,1|1,0,1]=4 2154 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100000685392_100009817552 [0,1,0,0,0,1|1,0,1]=4 2155 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100009817552_100000685392 [0,1,0,0,0,1|1,0,1]=4 2156 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100000688686_100009817552 [0,1,0,0,0,1|1,0,1]=4 2157 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100009817552_100000688686 [0,1,0,0,0,1|1,0,1]=4 2158 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,1,0,0,0,1|1,0,1]=4 2159 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,1,0,0,0,1|1,0,1]=4 2160 B12R1.125 C[n+]1ccccc1SCC(=O)N 62a_100000747473_100000212160 [0,1,0,0,0,1|1,0,1]=4 2161 B12R1.125 C[n+]1ccccc1SCC(=O)[O-] 62a_100020667443_100000212160 [0,1,0,0,0,1|0,0,2]=4 2162 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,1|2,0,0]=4 2163 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,0,1|2,0,0]=4 2164 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,0,1|1,0,1]=4 2165 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,0,1|2,0,0]=4 2166 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,0,1|2,0,0]=4 2167 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,1|2,0,0]=4 2168 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,0,1|1,0,1]=4 2169 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,0,1|2,0,0]=4 2170 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,0,1|2,0,0]=4 2171 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,1|2,0,0]=4 2172 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,0,1|1,0,1]=4 2173 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,0,1|1,0,1]=4 2174 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000747473_100000751373 [0,1,0,0,0,1|1,0,0]=3 2175 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000751373_100000747473 [0,1,0,0,0,1|1,0,0]=3 2176 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100000751373_100020667443 [0,1,0,0,0,1|0,0,1]=3 2177 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100020667443_100000751373 [0,1,0,0,0,1|0,0,1]=3 2178 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [0,1,0,0,0,1|1,0,1]=4 2179 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [0,1,0,0,0,1|1,0,1]=4 2180 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [0,1,0,0,0,1|1,0,1]=4 2181 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [0,1,0,0,0,1|1,0,1]=4 2182 B12R1.125 Cc1cccnc1SC[N+](=O)[O-] 62a_100000751373_100000761209 [0,1,0,0,0,1|1,0,1]=4 2183 B12R1.125 Cc1ccnnc1SCC(=O)N 62a_100000747473_100000089043 [0,1,0,0,0,1|2,0,0]=4 2184 B12R1.125 Cc1ccnnc1SCC(=O)[O-] 62a_100020667443_100000089043 [0,1,0,0,0,1|1,0,1]=4 2185 B12R1.125 Cc1cncnc1SCC(=O)N 62a_100000747473_100011998708 [0,1,0,0,0,1|2,0,0]=4 2186 B12R1.125 Cc1cncnc1SCC(=O)N 62a_100011998708_100000747473 [0,1,0,0,0,1|2,0,0]=4 2187 B12R1.125 Cc1cncnc1SCC(=O)[O-] 62a_100011998708_100020667443 [0,1,0,0,0,1|1,0,1]=4 2188 B12R1.125 Cc1cncnc1SCC(=O)[O-] 62a_100020667443_100011998708 [0,1,0,0,0,1|1,0,1]=4 2189 B12R1.125 Cc1nccnc1OCC(=O)N 34a_100000766352_100000187820 [0,1,0,0,0,1|2,0,0]=4 2190 B12R1.125 Cc1nccnc1OCC(=O)[O-] 34a_100000766352_100020667443 [0,1,0,0,0,1|1,0,1]=4 2191 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100000747473_100011999405 [0,1,0,0,0,1|2,0,0]=4 2192 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100011999405_100000747473 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100011999405_100020667443 [0,1,0,0,0,1|1,0,1]=4 2194 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100020667443_100011999405 [0,1,0,0,0,1|1,0,1]=4 2195 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,1|2,0,0]=4 2196 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,0,1|2,0,0]=4 2197 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,0,1|2,0,0]=4 2198 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,0,1|2,0,0]=4 2199 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,0,1|2,0,0]=4 2200 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [0,1,0,0,0,1|1,0,1]=4 2202 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,0,1|2,0,0]=4 2203 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,0,1|2,0,0]=4 2204 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,0,1|2,0,0]=4 2205 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,0,1|2,0,0]=4 2206 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,0,1|2,0,0]=4 2207 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,0,1|2,0,0]=4 2208 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,0,1|2,0,0]=4 2209 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,0,1|2,0,0]=4 2210 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,0,1|2,0,0]=4 2211 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,0,1|2,0,0]=4 2212 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,0,1|2,0,0]=4 2213 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [0,1,0,0,0,1|1,0,0]=3 2214 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [0,1,0,0,0,1|1,0,0]=3 2215 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [0,1,0,0,0,1|1,0,0]=3 2216 B12R1.125 NC(=O)CSc1cccc[n+]1[O-] 62a_100000747473_200000042595 [0,1,0,0,0,1|1,0,1]=4 2217 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,0,1|2,0,0]=4 2218 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,0,1|2,0,0]=4 2219 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,0,1|2,0,0]=4 2220 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,0,1|2,0,0]=4 2221 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,0,1|2,0,0]=4 2222 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,0,1|2,0,0]=4 2223 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,0,1|2,0,0]=4 2224 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,0,1|2,0,0]=4 2225 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,0,1|2,0,0]=4 2226 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,0,1|2,0,0]=4 2227 B12R1.125 NC(=O)CSc1ncc[nH]c1=O 62a_100000747473_100000763361 [0,1,0,0,0,1|2,0,0]=4 2228 B12R1.125 NC(=O)CSc1ncccc1Br 62a_100000696092_100000747473 [0,1,0,0,0,1|1,0,0]=3 2229 B12R1.125 NC(=O)CSc1ncccc1Br 62a_100000747473_100000696092 [0,1,0,0,0,1|1,0,0]=3 2230 B12R1.125 NC(=O)CSc1ncccc1Cl 62a_100000747473_100011356963 [0,1,0,0,0,1|1,0,0]=3 2231 B12R1.125 NC(=O)CSc1ncccc1Cl 62a_100011356963_100000747473 [0,1,0,0,0,1|1,0,0]=3 2232 B12R1.125 NC(=O)CSc1ncccc1F 62a_100000685392_100000747473 [0,1,0,0,0,1|1,0,0]=3 2233 B12R1.125 NC(=O)CSc1ncccc1F 62a_100000747473_100000685392 [0,1,0,0,0,1|1,0,0]=3 2234 B12R1.125 NC(=O)CSc1ncccc1N 62a_100000688686_100000747473 [0,1,0,0,0,1|1,0,0]=3 2235 B12R1.125 NC(=O)CSc1ncccc1N 62a_100000747473_100000688686 [0,1,0,0,0,1|1,0,0]=3 2236 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000034122_100000747473 [0,1,0,0,0,1|1,0,0]=3 2237 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000747473_100000034122 [0,1,0,0,0,1|1,0,0]=3 2238 B12R1.125 NC(=O)CSc1nccnc1Cl 62a_100000747473_100010886584 [0,1,0,0,0,1|2,0,0]=4 2239 B12R1.125 NC(=O)CSc1nccnc1Cl 62a_100010886584_100000747473 [0,1,0,0,0,1|2,0,0]=4 2240 B12R1.125 NC(=O)CSc1nccnc1F 62a_100000747473_200010125657 [0,1,0,0,0,1|2,0,0]=4 2241 B12R1.125 NC(=O)CSc1nccnc1F 62a_200010125657_100000747473 [0,1,0,0,0,1|2,0,0]=4 2242 B12R1.125 NC(=O)CSc1nccnc1N 62a_100000747473_100000747729 [0,1,0,0,0,1|2,0,0]=4 2243 B12R1.125 NC(=O)CSc1nccnc1N 62a_100000747729_100000747473 [0,1,0,0,0,1|2,0,0]=4 2244 B12R1.125 NC(=O)CSc1ncncc1F 62a_100000069762_100000747473 [0,1,0,0,0,1|2,0,0]=4 2245 B12R1.125 NC(=O)CSc1ncncc1F 62a_100000747473_100000069762 [0,1,0,0,0,1|2,0,0]=4 2246 B12R1.125 NC(=O)CSc1ncncc1N 62a_100000709731_100000747473 [0,1,0,0,0,1|2,0,0]=4 2247 B12R1.125 NC(=O)CSc1ncncc1N 62a_100000747473_100000709731 [0,1,0,0,0,1|2,0,0]=4 2248 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,0,1|1,0,1]=4 2249 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,0,1|1,0,1]=4 2250 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,0,1|1,0,1]=4 2251 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [0,1,0,0,0,1|0,0,1]=3 2252 B12R1.125 Nc1cccnc1OC[N+](=O)[O-] 34a_100000746358_100000761209 [0,1,0,0,0,1|1,0,1]=4 2253 B12R1.125 Nc1cccnc1SCC(=O)[O-] 62a_100000688686_100020667443 [0,1,0,0,0,1|0,0,1]=3 2254 B12R1.125 Nc1cccnc1SCC(=O)[O-] 62a_100020667443_100000688686 [0,1,0,0,0,1|0,0,1]=3 2255 B12R1.125 Nc1cccnc1SC[N+](=O)[O-] 62a_100000688686_100000761209 [0,1,0,0,0,1|1,0,1]=4 2256 B12R1.125 Nc1cncnc1SCC(=O)[O-] 62a_100000709731_100020667443 [0,1,0,0,0,1|1,0,1]=4 2257 B12R1.125 Nc1cncnc1SCC(=O)[O-] 62a_100020667443_100000709731 [0,1,0,0,0,1|1,0,1]=4 2258 B12R1.125 Nc1nccnc1SCC(=O)[O-] 62a_100000747729_100020667443 [0,1,0,0,0,1|1,0,1]=4 2259 B12R1.125 Nc1nccnc1SCC(=O)[O-] 62a_100020667443_100000747729 [0,1,0,0,0,1|1,0,1]=4 2260 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,0,1|1,0,1]=4 2261 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,1|1,0,1]=4 2262 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,0,1|1,0,1]=4 2263 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,0,1|1,0,1]=4 2264 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,0,1|1,0,1]=4 2265 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,0,1|1,0,1]=4 2266 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,1|1,0,1]=4 2267 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,0,1|1,0,1]=4 2268 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,0,1|1,0,1]=4 2269 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [0,1,0,0,0,1|0,0,1]=3 2270 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [0,1,0,0,0,1|0,0,1]=3 2271 B12R1.125 O=C([O-])CSc1cccc[n+]1[O-] 62a_100020667443_200000042595 [0,1,0,0,0,1|0,0,2]=4 2272 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,0,1|1,0,1]=4 2273 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,0,1|1,0,1]=4 2274 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,1|1,0,1]=4 2275 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,1|1,0,1]=4 2276 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,0,1|1,0,1]=4 2277 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,0,1|1,0,1]=4 2278 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,0,1|1,0,1]=4 2279 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,0,1|1,0,1]=4 2280 B12R1.125 O=C([O-])CSc1ncc[nH]c1=O 62a_100020667443_100000763361 [0,1,0,0,0,1|1,0,1]=4 2281 B12R1.125 O=C([O-])CSc1ncccc1Br 62a_100000696092_100020667443 [0,1,0,0,0,1|0,0,1]=3 2282 B12R1.125 O=C([O-])CSc1ncccc1Br 62a_100020667443_100000696092 [0,1,0,0,0,1|0,0,1]=3 2283 B12R1.125 O=C([O-])CSc1ncccc1Cl 62a_100011356963_100020667443 [0,1,0,0,0,1|0,0,1]=3 2284 B12R1.125 O=C([O-])CSc1ncccc1Cl 62a_100020667443_100011356963 [0,1,0,0,0,1|0,0,1]=3 2285 B12R1.125 O=C([O-])CSc1ncccc1F 62a_100000685392_100020667443 [0,1,0,0,0,1|0,0,1]=3 2286 B12R1.125 O=C([O-])CSc1ncccc1F 62a_100020667443_100000685392 [0,1,0,0,0,1|0,0,1]=3 2287 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100000034122_100020667443 [0,1,0,0,0,1|0,0,1]=3 2288 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100020667443_100000034122 [0,1,0,0,0,1|0,0,1]=3 2289 B12R1.125 O=C([O-])CSc1nccnc1Cl 62a_100010886584_100020667443 [0,1,0,0,0,1|1,0,1]=4 2290 B12R1.125 O=C([O-])CSc1nccnc1Cl 62a_100020667443_100010886584 [0,1,0,0,0,1|1,0,1]=4 2291 B12R1.125 O=C([O-])CSc1nccnc1F 62a_100020667443_200010125657 [0,1,0,0,0,1|1,0,1]=4 2292 B12R1.125 O=C([O-])CSc1nccnc1F 62a_200010125657_100020667443 [0,1,0,0,0,1|1,0,1]=4 2293 B12R1.125 O=C([O-])CSc1ncncc1F 62a_100000069762_100020667443 [0,1,0,0,0,1|1,0,1]=4 2294 B12R1.125 O=C([O-])CSc1ncncc1F 62a_100020667443_100000069762 [0,1,0,0,0,1|1,0,1]=4 2295 B12R1.125 O=[N+]([O-])COc1ncccc1Cl 34a_100011290957_100000761209 [0,1,0,0,0,1|1,0,1]=4 2296 B12R1.125 O=[N+]([O-])COc1ncccc1F 34a_100011219419_100000761209 [0,1,0,0,0,1|1,0,1]=4 2297 B12R1.125 O=[N+]([O-])CSc1ncccc1Br 62a_100000696092_100000761209 [0,1,0,0,0,1|1,0,1]=4 2298 B12R1.125 O=[N+]([O-])CSc1ncccc1Cl 62a_100011356963_100000761209 [0,1,0,0,0,1|1,0,1]=4 2299 B12R1.125 O=[N+]([O-])CSc1ncccc1F 62a_100000685392_100000761209 [0,1,0,0,0,1|1,0,1]=4 2300 B12R1.125 O=[N+]([O-])CSc1ncccc1O 62a_100000034122_100000761209 [0,1,0,0,0,1|1,0,1]=4 2301 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,1|2,0,0]=4 2302 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,1|2,0,0]=4 2303 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,1|2,0,0]=4 2304 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,1|2,0,0]=4 2305 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,1|2,0,0]=4 2306 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,1|2,0,0]=4 2307 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,1|2,0,0]=4 2308 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,1|2,0,0]=4 2309 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,1|2,0,0]=4 2310 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,1|2,0,0]=4 2311 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,1|2,0,0]=4 2312 B12R1.226 C=C(C)CNc1cc(ccn1)F 27a_100000765925_100000764206 [0,1,0,0,0,1|2,0,0]=4 2313 B12R1.226 C=C(C)CNc1cccc(n1)F 27a_100000765925_100009815982 [0,1,0,0,0,1|2,0,0]=4 2314 B12R1.226 C=C(C)COc1cccc(n1)F 34a_100011432558_100000748629 [0,1,0,0,0,1|2,0,0]=4 2315 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000748629_100000750283 [0,1,0,0,0,1|2,0,0]=4 2316 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000750283_100000211660 [0,1,0,0,0,1|2,0,0]=4 2317 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100000748629_100010167805 [0,1,0,0,0,1|2,0,0]=4 2318 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100010167805_100000211660 [0,1,0,0,0,1|2,0,0]=4 2319 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000748629_100000764206 [0,1,0,0,0,1|2,0,0]=4 2320 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000764206_100000211660 [0,1,0,0,0,1|2,0,0]=4 2321 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100000748629_100009814236 [0,1,0,0,0,1|2,0,0]=4 2322 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100009814236_100000211660 [0,1,0,0,0,1|2,0,0]=4 2323 B12R1.226 C=C(C)CSc1cc(ccn1)O 62a_100000748629_100000762945 [0,1,0,0,0,1|2,0,0]=4 2324 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000684672_100000211660 [0,1,0,0,0,1|2,0,0]=4 2325 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000748629_100000684672 [0,1,0,0,0,1|2,0,0]=4 2326 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000742759_100000211660 [0,1,0,0,0,1|2,0,0]=4 2327 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000748629_100000742759 [0,1,0,0,0,1|2,0,0]=4 2328 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000051397_100000211660 [0,1,0,0,0,1|2,0,0]=4 2329 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000748629_100000051397 [0,1,0,0,0,1|2,0,0]=4 2330 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100000748629_100009815982 [0,1,0,0,0,1|2,0,0]=4 2331 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100009815982_100000211660 [0,1,0,0,0,1|2,0,0]=4 2332 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000740741_100000211660 [0,1,0,0,0,1|2,0,0]=4 2333 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000748629_100000740741 [0,1,0,0,0,1|2,0,0]=4 2334 B12R1.226 C=C(F)COc1cccc(n1)F 34a_100011432558_100009893438 [0,1,0,0,0,1|2,0,0]=4 2335 B12R1.226 C=C(F)CSc1cc(ccn1)C 62a_100000042424_100000750283 [0,1,0,0,0,1|2,0,0]=4 2336 B12R1.226 C=C(F)CSc1cc(ccn1)C 62a_100000750283_100000042424 [0,1,0,0,0,1|2,0,0]=4 2337 B12R1.226 C=C(F)CSc1cc(ccn1)Cl 62a_100000042424_100010167805 [0,1,0,0,0,1|2,0,0]=4 2338 B12R1.226 C=C(F)CSc1cc(ccn1)Cl 62a_100010167805_100000042424 [0,1,0,0,0,1|2,0,0]=4 2339 B12R1.226 C=C(F)CSc1cc(ccn1)F 62a_100000042424_100000764206 [0,1,0,0,0,1|2,0,0]=4 2340 B12R1.226 C=C(F)CSc1cc(ccn1)F 62a_100000764206_100000042424 [0,1,0,0,0,1|2,0,0]=4 2341 B12R1.226 C=C(F)CSc1cc(ccn1)N 62a_100000042424_100009814236 [0,1,0,0,0,1|2,0,0]=4 2342 B12R1.226 C=C(F)CSc1cc(ccn1)N 62a_100009814236_100000042424 [0,1,0,0,0,1|2,0,0]=4 2343 B12R1.226 C=C(F)CSc1cc(ccn1)O 62a_100000042424_100000762945 [0,1,0,0,0,1|2,0,0]=4 2344 B12R1.226 C=C(F)CSc1cccc(n1)Br 62a_100000042424_100000684672 [0,1,0,0,0,1|2,0,0]=4 2345 B12R1.226 C=C(F)CSc1cccc(n1)Br 62a_100000684672_100000042424 [0,1,0,0,0,1|2,0,0]=4 2346 B12R1.226 C=C(F)CSc1cccc(n1)C 62a_100000042424_100000742759 [0,1,0,0,0,1|2,0,0]=4 2347 B12R1.226 C=C(F)CSc1cccc(n1)C 62a_100000742759_100000042424 [0,1,0,0,0,1|2,0,0]=4 2348 B12R1.226 C=C(F)CSc1cccc(n1)Cl 62a_100000042424_100000051397 [0,1,0,0,0,1|2,0,0]=4 2349 B12R1.226 C=C(F)CSc1cccc(n1)Cl 62a_100000051397_100000042424 [0,1,0,0,0,1|2,0,0]=4 2350 B12R1.226 C=C(F)CSc1cccc(n1)F 62a_100000042424_100009815982 [0,1,0,0,0,1|2,0,0]=4 2351 B12R1.226 C=C(F)CSc1cccc(n1)F 62a_100009815982_100000042424 [0,1,0,0,0,1|2,0,0]=4 2352 B12R1.226 C=C(F)CSc1cccc(n1)N 62a_100000042424_100000740741 [0,1,0,0,0,1|2,0,0]=4 2353 B12R1.226 C=C(F)CSc1cccc(n1)N 62a_100000740741_100000042424 [0,1,0,0,0,1|2,0,0]=4 2354 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,1|2,0,0]=4 2355 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,1|2,0,0]=4 2356 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,1|2,0,0]=4 2357 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,1|2,0,0]=4 2360 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,1|2,0,0]=4 2361 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,1|2,0,0]=4 2363 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,1|2,0,0]=4 2366 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,1|2,0,0]=4 2367 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,1|2,0,0]=4 2368 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,1|2,0,0]=4 2369 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.226 CC(=O)CSc1nccc(n1)C 1458a_200000179490_200000210301 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,1,0,0,0,1|1,0,0]=3 2372 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,1,0,0,0,1|1,0,0]=3 2373 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,1,0,0,0,1|1,0,0]=3 2374 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,1,0,0,0,1|1,0,0]=3 2375 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,1,0,0,0,1|1,0,0]=3 2376 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,1,0,0,0,1|1,0,0]=3 2377 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,1,0,0,0,1|1,0,0]=3 2378 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,1,0,0,0,1|1,0,0]=3 2379 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,1,0,0,0,1|1,0,0]=3 2380 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,1,0,0,0,1|1,0,0]=3 2381 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,1,0,0,0,1|1,0,0]=3 2382 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,1,0,0,0,1|1,0,0]=3 2383 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [0,1,0,0,0,1|1,0,1]=4 2384 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [0,1,0,0,0,1|1,0,1]=4 2385 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [0,1,0,0,0,1|1,0,1]=4 2386 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [0,1,0,0,0,1|1,0,1]=4 2387 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 2388 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 2389 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 2390 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,1|2,0,0]=4 2391 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 2392 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 2393 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 2394 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,1|2,0,0]=4 2395 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 2396 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 2397 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 2398 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,1|2,0,0]=4 2399 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 2400 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 2401 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 2402 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,1|2,0,0]=4 2403 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2404 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2405 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2406 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,1|2,0,0]=4 2407 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,1|2,0,0]=4 2408 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,1|2,0,0]=4 2409 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,1|2,0,0]=4 2410 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,1,0,0,0,1|1,0,0]=3 2411 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,1,0,0,0,1|1,0,0]=3 2412 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,1,0,0,0,1|1,0,0]=3 2413 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,1,0,0,0,1|1,0,0]=3 2414 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,1,0,0,0,1|1,0,0]=3 2415 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,1,0,0,0,1|1,0,0]=3 2416 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,1,0,0,0,1|1,0,0]=3 2417 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,1,0,0,0,1|1,0,0]=3 2418 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,1,0,0,0,1|1,0,0]=3 2419 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,1,0,0,0,1|1,0,0]=3 2420 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,1,0,0,0,1|1,0,0]=3 2421 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,1,0,0,0,1|1,0,0]=3 2422 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,1,0,0,0,1|1,0,0]=3 2423 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,1,0,0,0,1|1,0,0]=3 2424 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,1,0,0,0,1|1,0,0]=3 2425 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,1,0,0,0,1|1,0,0]=3 2426 B12R1.226 CC(=O)NCc1nccc(n1)C 11a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 2427 B12R1.226 CC(=O)NCc1nccc(n1)C 1626a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.226 CC(=O)NCc1nccc(n1)C 240690a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 2429 B12R1.226 CC(=O)NCc1nccc(n1)C 527a_100015186494_100103153847 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.226 CC(=O)NNc1cc(ccn1)Br 22a_100000764631_100000070787 [0,1,0,0,0,1|2,0,0]=4 2431 B12R1.226 CC(=O)NNc1cc(ccn1)C 22a_100000746014_100000070787 [0,1,0,0,0,1|2,0,0]=4 2432 B12R1.226 CC(=O)NNc1cc(ccn1)Cl 22a_100102524961_100000070787 [0,1,0,0,0,1|2,0,0]=4 2433 B12R1.226 CC(=O)NNc1cc(ccn1)I 22a_100010221011_100000070787 [0,1,0,0,0,1|2,0,0]=4 2434 B12R1.226 CC(=O)NNc1cccc(n1)Br 22a_100009817029_100000070787 [0,1,0,0,0,1|2,0,0]=4 2435 B12R1.226 CC(=O)NNc1cccc(n1)C 22a_100011363444_100000070787 [0,1,0,0,0,1|2,0,0]=4 2436 B12R1.226 CC(=O)NNc1cccc(n1)Cl 22a_100102524919_100000070787 [0,1,0,0,0,1|2,0,0]=4 2437 B12R1.226 CC(=O)NNc1cccc(n1)F 22a_100000075452_100000070787 [0,1,0,0,0,1|2,0,0]=4 2438 B12R1.226 CC(=O)NNc1cccc(n1)O 271570a_203496583355_200000079166 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.226 CC(O)CNc1cc(ccn1)F 27a_100000210904_100000764206 [0,1,0,0,0,1|1,0,1]=4 2440 B12R1.226 CC(O)CNc1cccc(n1)F 27a_100000210904_100009815982 [0,1,0,0,0,1|1,0,1]=4 2441 B12R1.226 CC(O)COc1cccc(n1)F 34a_100011432558_100011218427 [0,1,0,0,0,1|1,0,1]=4 2442 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218427 [0,1,0,0,0,1|1,0,1]=4 2443 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100011218427_100010167805 [0,1,0,0,0,1|1,0,1]=4 2444 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100000764206_100011218427 [0,1,0,0,0,1|1,0,1]=4 2445 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100011218427_100000764206 [0,1,0,0,0,1|1,0,1]=4 2446 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100009814236_100011218427 [0,1,0,0,0,1|1,0,1]=4 2447 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100011218427_100009814236 [0,1,0,0,0,1|1,0,1]=4 2448 B12R1.226 CC(O)CSc1cc(ccn1)O 62a_100011218427_100000762945 [0,1,0,0,0,1|1,0,1]=4 2449 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100000684672_100011218427 [0,1,0,0,0,1|1,0,1]=4 2450 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100011218427_100000684672 [0,1,0,0,0,1|1,0,1]=4 2451 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218427 [0,1,0,0,0,1|1,0,1]=4 2452 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100011218427_100000051397 [0,1,0,0,0,1|1,0,1]=4 2453 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100009815982_100011218427 [0,1,0,0,0,1|1,0,1]=4 2454 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100011218427_100009815982 [0,1,0,0,0,1|1,0,1]=4 2455 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100000740741_100011218427 [0,1,0,0,0,1|1,0,1]=4 2456 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100011218427_100000740741 [0,1,0,0,0,1|1,0,1]=4 2457 B12R1.226 C[C@@H](O)COc1cccc(n1)F 34a_100011432558_100009817552 [0,1,0,0,0,1|1,0,1]=4 2458 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100009817552_100010167805 [0,1,0,0,0,1|1,0,1]=4 2459 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009817552 [0,1,0,0,0,1|1,0,1]=4 2460 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100000764206_100009817552 [0,1,0,0,0,1|1,0,1]=4 2461 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100009817552_100000764206 [0,1,0,0,0,1|1,0,1]=4 2462 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009814236_100009817552 [0,1,0,0,0,1|1,0,1]=4 2463 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009817552_100009814236 [0,1,0,0,0,1|1,0,1]=4 2464 B12R1.226 C[C@@H](O)CSc1cc(ccn1)O 62a_100009817552_100000762945 [0,1,0,0,0,1|1,0,1]=4 2465 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100000684672_100009817552 [0,1,0,0,0,1|1,0,1]=4 2466 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100009817552_100000684672 [0,1,0,0,0,1|1,0,1]=4 2467 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009817552 [0,1,0,0,0,1|1,0,1]=4 2468 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100009817552_100000051397 [0,1,0,0,0,1|1,0,1]=4 2469 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009815982_100009817552 [0,1,0,0,0,1|1,0,1]=4 2470 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009817552_100009815982 [0,1,0,0,0,1|1,0,1]=4 2471 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100000740741_100009817552 [0,1,0,0,0,1|1,0,1]=4 2472 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100009817552_100000740741 [0,1,0,0,0,1|1,0,1]=4 2473 B12R1.226 Cc1cc(ncn1)SCC(=O)N 62a_100000744208_100000747473 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.226 Cc1cc(ncn1)SCC(=O)N 62a_100000747473_100000744208 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.226 Cc1cc(ncn1)SCC(=O)[O-] 62a_100000744208_100020667443 [0,1,0,0,0,1|1,0,1]=4 2476 B12R1.226 Cc1cc(ncn1)SCC(=O)[O-] 62a_100020667443_100000744208 [0,1,0,0,0,1|1,0,1]=4 2477 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,0,1|2,0,0]=4 2479 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,0,1|2,0,0]=4 2480 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,0,1|1,0,1]=4 2481 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,0,1|2,0,0]=4 2482 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,0,1|2,0,0]=4 2483 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,1|2,0,0]=4 2484 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,0,1|1,0,1]=4 2485 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,0,1|2,0,0]=4 2486 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,0,1|1,0,1]=4 2488 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,0,1|1,0,1]=4 2489 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000742759_100000747473 [0,1,0,0,0,1|1,0,0]=3 2490 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000747473_100000742759 [0,1,0,0,0,1|1,0,0]=3 2491 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100000742759_100020667443 [0,1,0,0,0,1|0,0,1]=3 2492 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000742759 [0,1,0,0,0,1|0,0,1]=3 2493 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100000742759_100011218427 [0,1,0,0,0,1|1,0,1]=4 2494 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100011218427_100000742759 [0,1,0,0,0,1|1,0,1]=4 2495 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100000742759_100009817552 [0,1,0,0,0,1|1,0,1]=4 2496 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000742759 [0,1,0,0,0,1|1,0,1]=4 2497 B12R1.226 Cc1cccc(n1)SC[N+](=O)[O-] 62a_100000742759_100000761209 [0,1,0,0,0,1|1,0,1]=4 2498 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000747473_100000750283 [0,1,0,0,0,1|1,0,0]=3 2499 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000750283_100000747473 [0,1,0,0,0,1|1,0,0]=3 2500 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100000750283_100020667443 [0,1,0,0,0,1|0,0,1]=3 2501 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100000750283 [0,1,0,0,0,1|0,0,1]=3 2502 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100000750283_100011218427 [0,1,0,0,0,1|1,0,1]=4 2503 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100011218427_100000750283 [0,1,0,0,0,1|1,0,1]=4 2504 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100000750283_100009817552 [0,1,0,0,0,1|1,0,1]=4 2505 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100000750283 [0,1,0,0,0,1|1,0,1]=4 2506 B12R1.226 Cc1ccnc(c1)SC[N+](=O)[O-] 62a_100000750283_100000761209 [0,1,0,0,0,1|1,0,1]=4 2507 B12R1.226 Cc1ccnc(n1)SCC(=O)N 62a_100000747473_100011243806 [0,1,0,0,0,1|2,0,0]=4 2508 B12R1.226 Cc1ccnc(n1)SCC(=O)N 62a_100011243806_100000747473 [0,1,0,0,0,1|2,0,0]=4 2509 B12R1.226 Cc1ccnc(n1)SCC(=O)[13CH3] 1458a_200000179490_200025704644 [0,1,0,0,0,1|2,0,0]=4 2510 B12R1.226 Cc1ccnc(n1)SCC(=O)[O-] 62a_100011243806_100020667443 [0,1,0,0,0,1|1,0,1]=4 2511 B12R1.226 Cc1ccnc(n1)SCC(=O)[O-] 62a_100020667443_100011243806 [0,1,0,0,0,1|1,0,1]=4 2512 B12R1.226 Cc1cncc(n1)SCC(=O)N 62a_100000747473_100000754123 [0,1,0,0,0,1|2,0,0]=4 2513 B12R1.226 Cc1cncc(n1)SCC(=O)N 62a_100000754123_100000747473 [0,1,0,0,0,1|2,0,0]=4 2514 B12R1.226 Cc1cncc(n1)SCC(=O)[O-] 62a_100000754123_100020667443 [0,1,0,0,0,1|1,0,1]=4 2515 B12R1.226 Cc1cncc(n1)SCC(=O)[O-] 62a_100020667443_100000754123 [0,1,0,0,0,1|1,0,1]=4 2516 B12R1.226 Cc1cnnc(c1)OCC(=O)N 34a_100000766097_100000187820 [0,1,0,0,0,1|2,0,0]=4 2517 B12R1.226 Cc1cnnc(c1)OCC(=O)[O-] 34a_100000766097_100020667443 [0,1,0,0,0,1|1,0,1]=4 2518 B12R1.226 Cc1cnnc(c1)SCC(=O)N 62a_100000070100_100000747473 [0,1,0,0,0,1|2,0,0]=4 2519 B12R1.226 Cc1cnnc(c1)SCC(=O)N 62a_100000747473_100000070100 [0,1,0,0,0,1|2,0,0]=4 2520 B12R1.226 Cc1cnnc(c1)SCC(=O)[O-] 62a_100000070100_100020667443 [0,1,0,0,0,1|1,0,1]=4 2521 B12R1.226 Cc1cnnc(c1)SCC(=O)[O-] 62a_100020667443_100000070100 [0,1,0,0,0,1|1,0,1]=4 2522 B12R1.226 Cc1nccc(n1)SCC(=O)N 62a_100000747473_100000749937 [0,1,0,0,0,1|2,0,0]=4 2523 B12R1.226 Cc1nccc(n1)SCC(=O)N 62a_100000749937_100000747473 [0,1,0,0,0,1|2,0,0]=4 2524 B12R1.226 Cc1nccc(n1)SCC(=O)[O-] 62a_100000749937_100020667443 [0,1,0,0,0,1|1,0,1]=4 2525 B12R1.226 Cc1nccc(n1)SCC(=O)[O-] 62a_100020667443_100000749937 [0,1,0,0,0,1|1,0,1]=4 2526 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,1|2,0,0]=4 2527 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,0,1|2,0,0]=4 2528 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,0,1|2,0,0]=4 2529 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,0,1|2,0,0]=4 2530 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,0,1|2,0,0]=4 2531 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,0,1|2,0,0]=4 2532 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [0,1,0,0,0,1|1,0,1]=4 2533 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,0,1|2,0,0]=4 2534 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,0,1|2,0,0]=4 2535 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,0,1|2,0,0]=4 2536 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,0,1|2,0,0]=4 2537 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,0,1|2,0,0]=4 2538 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,0,1|2,0,0]=4 2539 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,0,1|2,0,0]=4 2540 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,0,1|2,0,0]=4 2541 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,0,1|2,0,0]=4 2542 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,0,1|2,0,0]=4 2543 B12R1.226 NC(=O)COc1cccc(n1)F 34a_100011432558_100000187820 [0,1,0,0,0,1|1,0,0]=3 2544 B12R1.226 NC(=O)CSc1c[n+](ccn1)[O-] 62a_100000747473_100009880115 [0,1,0,0,0,1|2,0,0]=4 2545 B12R1.226 NC(=O)CSc1cc(=O)[nH]cn1 62a_100012002517_100000747473 [0,1,0,0,0,1|2,0,0]=4 2546 B12R1.226 NC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747473 [0,1,0,0,0,1|1,0,1]=4 2547 B12R1.226 NC(=O)CSc1cc(ccn1)Cl 62a_100000747473_100010167805 [0,1,0,0,0,1|1,0,0]=3 2548 B12R1.226 NC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747473 [0,1,0,0,0,1|1,0,0]=3 2549 B12R1.226 NC(=O)CSc1cc(ccn1)F 62a_100000747473_100000764206 [0,1,0,0,0,1|1,0,0]=3 2550 B12R1.226 NC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747473 [0,1,0,0,0,1|1,0,0]=3 2551 B12R1.226 NC(=O)CSc1cc(ccn1)N 62a_100000747473_100009814236 [0,1,0,0,0,1|1,0,0]=3 2552 B12R1.226 NC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747473 [0,1,0,0,0,1|1,0,0]=3 2553 B12R1.226 NC(=O)CSc1cc(ccn1)O 62a_100000747473_100000762945 [0,1,0,0,0,1|1,0,0]=3 2554 B12R1.226 NC(=O)CSc1cc(cnn1)N 62a_100000747473_100011996757 [0,1,0,0,0,1|2,0,0]=4 2555 B12R1.226 NC(=O)CSc1cc(cnn1)N 62a_100011996757_100000747473 [0,1,0,0,0,1|2,0,0]=4 2556 B12R1.226 NC(=O)CSc1cc(cnn1)O 62a_100000747473_200010734679 [0,1,0,0,0,1|2,0,0]=4 2557 B12R1.226 NC(=O)CSc1cc(ncn1)Cl 62a_100000747473_100010161198 [0,1,0,0,0,1|2,0,0]=4 2558 B12R1.226 NC(=O)CSc1cc(ncn1)Cl 62a_100010161198_100000747473 [0,1,0,0,0,1|2,0,0]=4 2559 B12R1.226 NC(=O)CSc1cc(ncn1)F 62a_100000747473_200009880791 [0,1,0,0,0,1|2,0,0]=4 2560 B12R1.226 NC(=O)CSc1cc(ncn1)F 62a_200009880791_100000747473 [0,1,0,0,0,1|2,0,0]=4 2561 B12R1.226 NC(=O)CSc1cc(ncn1)N 62a_100000701291_100000747473 [0,1,0,0,0,1|2,0,0]=4 2562 B12R1.226 NC(=O)CSc1cc(ncn1)N 62a_100000747473_100000701291 [0,1,0,0,0,1|2,0,0]=4 2563 B12R1.226 NC(=O)CSc1cc(ncn1)O 62a_100000747473_100000765262 [0,1,0,0,0,1|2,0,0]=4 2564 B12R1.226 NC(=O)CSc1cc[nH]c(=O)n1 62a_100000747473_200000134032 [0,1,0,0,0,1|2,0,0]=4 2565 B12R1.226 NC(=O)CSc1cccc(=O)[nH]1 62a_100000747473_100000752884 [0,1,0,0,0,1|1,0,1]=4 2566 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,0,1|2,0,0]=4 2567 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,0,1|2,0,0]=4 2568 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,0,1|2,0,0]=4 2569 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,0,1|2,0,0]=4 2570 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,0,1|2,0,0]=4 2571 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,0,1|2,0,0]=4 2572 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,0,1|2,0,0]=4 2573 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,0,1|2,0,0]=4 2574 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,0,1|2,0,0]=4 2575 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,0,1|2,0,0]=4 2576 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,0,1|2,0,0]=4 2577 B12R1.226 NC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747473 [0,1,0,0,0,1|1,0,0]=3 2578 B12R1.226 NC(=O)CSc1cccc(n1)Br 62a_100000747473_100000684672 [0,1,0,0,0,1|1,0,0]=3 2579 B12R1.226 NC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747473 [0,1,0,0,0,1|1,0,0]=3 2580 B12R1.226 NC(=O)CSc1cccc(n1)Cl 62a_100000747473_100000051397 [0,1,0,0,0,1|1,0,0]=3 2581 B12R1.226 NC(=O)CSc1cccc(n1)F 62a_100000747473_100009815982 [0,1,0,0,0,1|1,0,0]=3 2582 B12R1.226 NC(=O)CSc1cccc(n1)F 62a_100009815982_100000747473 [0,1,0,0,0,1|1,0,0]=3 2583 B12R1.226 NC(=O)CSc1cccc(n1)N 62a_100000740741_100000747473 [0,1,0,0,0,1|1,0,0]=3 2584 B12R1.226 NC(=O)CSc1cccc(n1)N 62a_100000747473_100000740741 [0,1,0,0,0,1|1,0,0]=3 2585 B12R1.226 NC(=O)CSc1ccnc(n1)Cl 62a_100000747473_100010154678 [0,1,0,0,0,1|2,0,0]=4 2586 B12R1.226 NC(=O)CSc1ccnc(n1)Cl 62a_100010154678_100000747473 [0,1,0,0,0,1|2,0,0]=4 2587 B12R1.226 NC(=O)CSc1ccnc(n1)N 62a_100000055538_100000747473 [0,1,0,0,0,1|2,0,0]=4 2588 B12R1.226 NC(=O)CSc1ccnc(n1)N 62a_100000747473_100000055538 [0,1,0,0,0,1|2,0,0]=4 2589 B12R1.226 NC(=O)CSc1cncc(n1)Cl 62a_100000747473_100010892449 [0,1,0,0,0,1|2,0,0]=4 2590 B12R1.226 NC(=O)CSc1cncc(n1)Cl 62a_100010892449_100000747473 [0,1,0,0,0,1|2,0,0]=4 2591 B12R1.226 NC(=O)CSc1cncc(n1)F 62a_100000747473_200009863489 [0,1,0,0,0,1|2,0,0]=4 2592 B12R1.226 NC(=O)CSc1cncc(n1)F 62a_200009863489_100000747473 [0,1,0,0,0,1|2,0,0]=4 2593 B12R1.226 NC(=O)CSc1cncc(n1)N 62a_100000747473_100000747728 [0,1,0,0,0,1|2,0,0]=4 2594 B12R1.226 NC(=O)CSc1cncc(n1)N 62a_100000747728_100000747473 [0,1,0,0,0,1|2,0,0]=4 2595 B12R1.226 NC(=O)CSc1cncc(n1)O 62a_100000747473_100011269956 [0,1,0,0,0,1|2,0,0]=4 2596 B12R1.226 NC(=O)CSc1nccc(n1)N 62a_100000747473_100000757536 [0,1,0,0,0,1|2,0,0]=4 2597 B12R1.226 NC(=O)CSc1nccc(n1)N 62a_100000757536_100000747473 [0,1,0,0,0,1|2,0,0]=4 2598 B12R1.226 NC(=O)CSc1nccc(n1)O 62a_100000747473_100011649813 [0,1,0,0,0,1|2,0,0]=4 2599 B12R1.226 Nc1cc(ncn1)SCC(=O)[O-] 62a_100000701291_100020667443 [0,1,0,0,0,1|1,0,1]=4 2600 B12R1.226 Nc1cc(ncn1)SCC(=O)[O-] 62a_100020667443_100000701291 [0,1,0,0,0,1|1,0,1]=4 2601 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,0,1|1,0,1]=4 2602 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,0,1|1,0,1]=4 2603 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,0,1|1,0,1]=4 2604 B12R1.226 Nc1cccc(n1)SCC(=O)[O-] 62a_100000740741_100020667443 [0,1,0,0,0,1|0,0,1]=3 2605 B12R1.226 Nc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000740741 [0,1,0,0,0,1|0,0,1]=3 2606 B12R1.226 Nc1cccc(n1)SC[N+](=O)[O-] 62a_100000740741_100000761209 [0,1,0,0,0,1|1,0,1]=4 2607 B12R1.226 Nc1ccnc(c1)SCC(=O)[O-] 62a_100009814236_100020667443 [0,1,0,0,0,1|0,0,1]=3 2608 B12R1.226 Nc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100009814236 [0,1,0,0,0,1|0,0,1]=3 2609 B12R1.226 Nc1ccnc(c1)SC[N+](=O)[O-] 62a_100009814236_100000761209 [0,1,0,0,0,1|1,0,1]=4 2610 B12R1.226 Nc1ccnc(n1)SCC(=O)[O-] 62a_100000757536_100020667443 [0,1,0,0,0,1|1,0,1]=4 2611 B12R1.226 Nc1ccnc(n1)SCC(=O)[O-] 62a_100020667443_100000757536 [0,1,0,0,0,1|1,0,1]=4 2612 B12R1.226 Nc1cncc(n1)SCC(=O)[O-] 62a_100000747728_100020667443 [0,1,0,0,0,1|1,0,1]=4 2613 B12R1.226 Nc1cncc(n1)SCC(=O)[O-] 62a_100020667443_100000747728 [0,1,0,0,0,1|1,0,1]=4 2614 B12R1.226 Nc1cnnc(c1)SCC(=O)[O-] 62a_100011996757_100020667443 [0,1,0,0,0,1|1,0,1]=4 2615 B12R1.226 Nc1cnnc(c1)SCC(=O)[O-] 62a_100020667443_100011996757 [0,1,0,0,0,1|1,0,1]=4 2616 B12R1.226 Nc1nccc(n1)SCC(=O)[O-] 62a_100000055538_100020667443 [0,1,0,0,0,1|1,0,1]=4 2617 B12R1.226 Nc1nccc(n1)SCC(=O)[O-] 62a_100020667443_100000055538 [0,1,0,0,0,1|1,0,1]=4 2618 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,0,1|1,0,1]=4 2619 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,0,1|1,0,1]=4 2620 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,0,1|1,0,1]=4 2621 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,0,1|1,0,1]=4 2622 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,0,1|1,0,1]=4 2623 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [0,1,0,0,0,1|0,0,2]=4 2624 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,0,1|1,0,1]=4 2625 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,0,1|1,0,1]=4 2626 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,0,1|1,0,1]=4 2627 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,0,1|1,0,1]=4 2628 B12R1.226 O=C([O-])COc1cccc(n1)F 34a_100011432558_100020667443 [0,1,0,0,0,1|0,0,1]=3 2629 B12R1.226 O=C([O-])CSc1c[n+](ccn1)[O-] 62a_100020667443_100009880115 [0,1,0,0,0,1|1,0,1]=4 2630 B12R1.226 O=C([O-])CSc1cc(=O)[nH]cn1 62a_100012002517_100020667443 [0,1,0,0,0,1|1,0,1]=4 2631 B12R1.226 O=C([O-])CSc1cc(=O)cc[nH]1 62a_100009817434_100020667443 [0,1,0,0,0,1|0,0,2]=4 2632 B12R1.226 O=C([O-])CSc1cc(ccn1)Cl 62a_100010167805_100020667443 [0,1,0,0,0,1|0,0,1]=3 2633 B12R1.226 O=C([O-])CSc1cc(ccn1)Cl 62a_100020667443_100010167805 [0,1,0,0,0,1|0,0,1]=3 2634 B12R1.226 O=C([O-])CSc1cc(ccn1)F 62a_100000764206_100020667443 [0,1,0,0,0,1|0,0,1]=3 2635 B12R1.226 O=C([O-])CSc1cc(ccn1)F 62a_100020667443_100000764206 [0,1,0,0,0,1|0,0,1]=3 2636 B12R1.226 O=C([O-])CSc1cc(ccn1)O 62a_100020667443_100000762945 [0,1,0,0,0,1|0,0,1]=3 2637 B12R1.226 O=C([O-])CSc1cc(cnn1)O 62a_100020667443_200010734679 [0,1,0,0,0,1|1,0,1]=4 2638 B12R1.226 O=C([O-])CSc1cc(ncn1)Cl 62a_100010161198_100020667443 [0,1,0,0,0,1|1,0,1]=4 2639 B12R1.226 O=C([O-])CSc1cc(ncn1)Cl 62a_100020667443_100010161198 [0,1,0,0,0,1|1,0,1]=4 2640 B12R1.226 O=C([O-])CSc1cc(ncn1)F 62a_100020667443_200009880791 [0,1,0,0,0,1|1,0,1]=4 2641 B12R1.226 O=C([O-])CSc1cc(ncn1)F 62a_200009880791_100020667443 [0,1,0,0,0,1|1,0,1]=4 2642 B12R1.226 O=C([O-])CSc1cc(ncn1)O 62a_100020667443_100000765262 [0,1,0,0,0,1|1,0,1]=4 2643 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)n1 62a_100020667443_200000134032 [0,1,0,0,0,1|1,0,1]=4 2644 B12R1.226 O=C([O-])CSc1cccc(=O)[nH]1 62a_100020667443_100000752884 [0,1,0,0,0,1|0,0,2]=4 2645 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,0,1|1,0,1]=4 2646 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,0,1|1,0,1]=4 2647 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,0,1|1,0,1]=4 2648 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,0,1|1,0,1]=4 2649 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,0,1|1,0,1]=4 2650 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,0,1|1,0,1]=4 2651 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,0,1|1,0,1]=4 2652 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,0,1|1,0,1]=4 2653 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,0,1|1,0,1]=4 2654 B12R1.226 O=C([O-])CSc1cccc(n1)Br 62a_100000684672_100020667443 [0,1,0,0,0,1|0,0,1]=3 2655 B12R1.226 O=C([O-])CSc1cccc(n1)Br 62a_100020667443_100000684672 [0,1,0,0,0,1|0,0,1]=3 2656 B12R1.226 O=C([O-])CSc1cccc(n1)Cl 62a_100000051397_100020667443 [0,1,0,0,0,1|0,0,1]=3 2657 B12R1.226 O=C([O-])CSc1cccc(n1)Cl 62a_100020667443_100000051397 [0,1,0,0,0,1|0,0,1]=3 2658 B12R1.226 O=C([O-])CSc1cccc(n1)F 62a_100009815982_100020667443 [0,1,0,0,0,1|0,0,1]=3 2659 B12R1.226 O=C([O-])CSc1cccc(n1)F 62a_100020667443_100009815982 [0,1,0,0,0,1|0,0,1]=3 2660 B12R1.226 O=C([O-])CSc1ccnc(n1)Cl 62a_100010154678_100020667443 [0,1,0,0,0,1|1,0,1]=4 2661 B12R1.226 O=C([O-])CSc1ccnc(n1)Cl 62a_100020667443_100010154678 [0,1,0,0,0,1|1,0,1]=4 2662 B12R1.226 O=C([O-])CSc1cncc(n1)Cl 62a_100010892449_100020667443 [0,1,0,0,0,1|1,0,1]=4 2663 B12R1.226 O=C([O-])CSc1cncc(n1)Cl 62a_100020667443_100010892449 [0,1,0,0,0,1|1,0,1]=4 2664 B12R1.226 O=C([O-])CSc1cncc(n1)F 62a_100020667443_200009863489 [0,1,0,0,0,1|1,0,1]=4 2665 B12R1.226 O=C([O-])CSc1cncc(n1)F 62a_200009863489_100020667443 [0,1,0,0,0,1|1,0,1]=4 2666 B12R1.226 O=C([O-])CSc1cncc(n1)O 62a_100020667443_100011269956 [0,1,0,0,0,1|1,0,1]=4 2667 B12R1.226 O=C([O-])CSc1nccc(n1)O 62a_100020667443_100011649813 [0,1,0,0,0,1|1,0,1]=4 2668 B12R1.226 O=[N+]([O-])COc1cccc(n1)F 34a_100011432558_100000761209 [0,1,0,0,0,1|1,0,1]=4 2669 B12R1.226 O=[N+]([O-])CSc1cc(ccn1)Cl 62a_100010167805_100000761209 [0,1,0,0,0,1|1,0,1]=4 2670 B12R1.226 O=[N+]([O-])CSc1cc(ccn1)F 62a_100000764206_100000761209 [0,1,0,0,0,1|1,0,1]=4 2671 B12R1.226 O=[N+]([O-])CSc1cccc(n1)Br 62a_100000684672_100000761209 [0,1,0,0,0,1|1,0,1]=4 2672 B12R1.226 O=[N+]([O-])CSc1cccc(n1)Cl 62a_100000051397_100000761209 [0,1,0,0,0,1|1,0,1]=4 2673 B12R1.226 O=[N+]([O-])CSc1cccc(n1)F 62a_100009815982_100000761209 [0,1,0,0,0,1|1,0,1]=4 2674 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,1|2,0,0]=4 2675 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,1|2,0,0]=4 2676 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,1|2,0,0]=4 2677 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,1|2,0,0]=4 2678 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,1|2,0,0]=4 2679 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,1|2,0,0]=4 2680 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,1|2,0,0]=4 2681 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,1|2,0,0]=4 2682 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,1|2,0,0]=4 2683 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100000764493_100011216584 [0,1,0,0,0,1|1,0,1]=4 2684 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100011216584_100000764493 [0,1,0,0,0,1|1,0,1]=4 2685 B12R1.891 CS(=O)(=O)NCc1ccccn1 40a_100000210449_100000738038 [0,1,0,0,0,1|1,0,1]=4 2686 B12R1.891 NS(=O)(=O)CSc1ccccn1 62a_100000741382_100011216584 [0,1,0,0,0,1|1,0,1]=4 2687 B12R1.891 NS(=O)(=O)CSc1ccccn1 62a_100011216584_100000741382 [0,1,0,0,0,1|1,0,1]=4 2688 B12R1.891 O=S(=O)([O-])CSc1ccccn1 62a_100009817235_100011216584 [0,1,0,0,0,1|1,0,1]=4 2689 B12R1.891 O=S(=O)([O-])CSc1ccccn1 62a_100011216584_100009817235 [0,1,0,0,0,1|1,0,1]=4 2690 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.4 C=Cc1ccc(nc1)CC(=O)N 271570a_100011290941_200010888337 [0,2,0,0,0,0|1,0,0]=3 2697 B12R1.4 C=Cc1ccc(nc1)NC(=O)C 271570a_100011290941_100000193312 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.4 C=Cc1ccc(nn1)CC(=O)N 271570a_100011290941_100015841783 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,2,0,0,0,0|1,0,0]=3 2709 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,2,0,0,0,0|1,0,0]=3 2723 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,2,0,0,0,0|1,0,0]=3 2724 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,2,0,0,0,0|1,0,0]=3 2725 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,2,0,0,0,0|2,0,0]=4 2730 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,2,0,0,0,0|1,0,0]=3 2735 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,2,0,0,0,0|1,0,0]=3 2736 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.4 CSc1ccc(nn1)CC(=O)N 62a_100015841783_200000210301 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.4 CSc1ccc(nn1)CC(=O)N 62a_200000210301_100015841783 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,2,0,0,0,0|2,0,0]=4 2745 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,2,0,0,0,0|2,0,0]=4 2746 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,2,0,0,0,0|1,0,0]=3 2747 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,2,0,0,0,0|1,0,0]=3 2748 B12R1.4 [13CH3]Sc1ccc(nn1)CC(=O)N 62a_100015841783_200025704644 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.4 [13CH3]Sc1ccc(nn1)CC(=O)N 62a_200025704644_100015841783 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,2,0,0,0,0|2,0,0]=4 2771 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,2,0,0,0,0|2,0,0]=4 2774 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,2,0,0,0,0|2,0,0]=4 2777 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,2,0,0,0,0|2,0,0]=4 2779 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,2,0,0,0,0|2,0,0]=4 2794 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,2,0,0,0,0|2,0,0]=4 2802 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.49 C#CC(=O)Cc1ccc(cn1)Br 1458a_100000211873_100000702658 [0,2,0,0,0,0|1,0,0]=3 2846 B12R1.49 C#CC(=O)Cc1ccc(cn1)C 1458a_100000211873_100000691093 [0,2,0,0,0,0|1,0,0]=3 2847 B12R1.49 C#CC(=O)Cc1ccc(cn1)Cl 1458a_100000211873_100012066911 [0,2,0,0,0,0|1,0,0]=3 2848 B12R1.49 C#CC(=O)Cc1ccc(cn1)F 1458a_100000211873_100000703193 [0,2,0,0,0,0|1,0,0]=3 2849 B12R1.49 C#CC(=O)Cc1ccc(nn1)Cl 1458a_100000211873_100016992710 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.49 C#CC(=O)Cc1cnc(cn1)C 1458a_100000211873_100000752025 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.49 C#CC(=O)Cc1ncc(cn1)Br 1458a_100000211873_100010064664 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.49 C#CC(=O)Cc1ncc(cn1)C 1458a_100000211873_100000685645 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [0,2,0,0,0,0|1,0,0]=3 2859 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [0,2,0,0,0,0|1,0,0]=3 2860 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [0,2,0,0,0,0|1,0,0]=3 2861 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [0,2,0,0,0,0|1,0,0]=3 2862 B12R1.49 C=CC(=O)Cc1ccc(nn1)Cl 1458a_100000185746_100016992710 [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.49 C=CC(=O)Cc1cnc(cn1)C 1458a_100000185746_100000752025 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.49 C=CC(=O)Cc1ncc(cn1)Br 1458a_100000185746_100010064664 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.49 C=CC(=O)Cc1ncc(cn1)C 1458a_100000185746_100000685645 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,2,0,0,0,0|2,0,0]=4 2867 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,2,0,0,0,0|1,0,0]=3 2878 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,2,0,0,0,0|1,0,0]=3 2879 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,2,0,0,0,0|1,0,0]=3 2880 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,2,0,0,0,0|1,0,0]=3 2881 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,2,0,0,0,0|1,0,0]=3 2882 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,2,0,0,0,0|1,0,0]=3 2883 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,2,0,0,0,0|1,0,0]=3 2884 B12R1.49 CCC(=O)Cc1ccc(nn1)Cl 1458a_100000210414_100016992710 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.49 CCC(=O)Cc1cnc(cn1)C 1458a_100000210414_100000752025 [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.49 CCC(=O)Cc1ncc(cn1)Br 1458a_100000210414_100010064664 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.49 CCC(=O)Cc1ncc(cn1)C 1458a_100000210414_100000685645 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|2,0,0]=4 2907 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|2,0,0]=4 2909 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,2,0,0,0,0|1,0,0]=3 2910 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,2,0,0,0,0|1,0,0]=3 2911 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,2,0,0,0,0|1,0,0]=3 2912 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,2,0,0,0,0|1,0,0]=3 2913 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,2,0,0,0,0|1,0,0]=3 2914 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,2,0,0,0,0|1,0,0]=3 2915 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,2,0,0,0,0|1,0,0]=3 2916 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,2,0,0,0,0|1,0,0]=3 2917 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,2,0,0,0,0|1,0,0]=3 2918 B12R1.49 CNC(=O)Cc1ncc(cn1)Br 240690a_100102657272_100012357043 [0,2,0,0,0,0|2,0,0]=4 2919 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,2,0,0,0,0|1,0,0]=3 2920 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,2,0,0,0,0|0,0,0]=2 2921 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [0,2,0,0,0,0|1,0,0]=3 2923 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,2,0,0,0,0|2,0,0]=4 2924 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,2,0,0,0,0|1,0,0]=3 2925 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|1,0,0]=3 2927 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,2,0,0,0,0|2,0,0]=4 2930 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,2,0,0,0,0|1,0,0]=3 2931 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,2,0,0,0,0|0,0,0]=2 2932 B12R1.49 Cc1cnc(cn1)CC(=O)CO 1458a_100000210174_100000752025 [0,2,0,0,0,0|1,0,0]=3 2933 B12R1.49 Cc1cnc(nc1)CC(=O)CO 1458a_100000210174_100000685645 [0,2,0,0,0,0|1,0,0]=3 2934 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,2,0,0,0,0|2,0,0]=4 2935 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,2,0,0,0,0|2,0,0]=4 2936 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,2,0,0,0,0|2,0,0]=4 2937 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.49 O=C(CF)Cc1ccc(cn1)Br 1458a_100020629044_100015361967 [0,2,0,0,0,0|1,0,0]=3 2940 B12R1.49 O=C(CF)Cc1ccc(cn1)Cl 1458a_100000728320_100015361967 [0,2,0,0,0,0|1,0,0]=3 2941 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|1,0,0]=3 2942 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|1,0,0]=3 2943 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|1,0,0]=3 2944 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|1,0,0]=3 2945 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,2,0,0,0,0|0,0,0]=2 2946 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,2,0,0,0,0|0,0,0]=2 2947 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,2,0,0,0,0|0,0,0]=2 2948 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,2,0,0,0,0|2,0,0]=4 2949 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,2,0,0,0,0|2,0,0]=4 2950 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,2,0,0,0,0|2,0,0]=4 2951 B12R1.49 O=C(CO)Cc1ccc(nn1)Cl 1458a_100000210174_100016992710 [0,2,0,0,0,0|1,0,0]=3 2952 B12R1.49 O=C(CO)Cc1ncc(cn1)Br 1458a_100000210174_100010064664 [0,2,0,0,0,0|1,0,0]=3 2953 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,2,0,0,0,0|2,0,0]=4 2954 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,2,0,0,0,0|2,0,0]=4 2955 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,2,0,0,0,0|2,0,0]=4 2956 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,2,0,0,0,0|2,0,0]=4 2957 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,2,0,0,0,0|2,0,0]=4 2958 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,2,0,0,0,0|2,0,0]=4 2961 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,2,0,0,0,0|2,0,0]=4 2963 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,2,0,0,0,0|2,0,0]=4 2965 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,2,0,0,0,0|2,0,0]=4 2966 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,2,0,0,0,0|2,0,0]=4 2967 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,2,0,0,0,0|2,0,0]=4 2968 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,2,0,0,0,0|2,0,0]=4 2969 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,2,0,0,0,0|2,0,0]=4 2970 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,2,0,0,0,0|2,0,0]=4 2971 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,2,0,0,0,0|2,0,0]=4 2972 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,2,0,0,0,0|2,0,0]=4 2973 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,2,0,0,0,0|2,0,0]=4 2974 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,2,0,0,0,0|2,0,0]=4 2975 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,2,0,0,0,0|2,0,0]=4 2976 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,2,0,0,0,0|2,0,0]=4 2977 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,2,0,0,0,0|2,0,0]=4 2978 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,2,0,0,0,0|2,0,0]=4 2980 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,2,0,0,0,0|2,0,0]=4 2981 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,2,0,0,0,0|2,0,0]=4 2983 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,2,0,0,0,0|2,0,0]=4 2986 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,2,0,0,0,0|2,0,0]=4 2987 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,2,0,0,0,0|2,0,0]=4 2989 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,2,0,0,0,0|2,0,0]=4 2990 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,2,0,0,0,0|2,0,0]=4 2991 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,2,0,0,0,0|2,0,0]=4 2998 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,2,0,0,0,0|2,0,0]=4 2999 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,2,0,0,0,0|1,0,0]=3 3000 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,2,0,0,0,0|1,0,0]=3 3001 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,2,0,0,0,0|1,0,0]=3 3002 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,2,0,0,0,0|1,0,0]=3 3003 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,2,0,0,0,0|2,0,0]=4 3004 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,2,0,0,0,0|2,0,0]=4 3006 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,2,0,0,0,0|2,0,0]=4 3007 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,2,0,0,0,0|2,0,0]=4 3012 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,2,0,0,0,0|2,0,0]=4 3013 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,2,0,0,0,0|2,0,0]=4 3014 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,2,0,0,0,0|2,0,0]=4 3015 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,2,0,0,0,0|2,0,0]=4 3016 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,2,0,0,0,0|2,0,0]=4 3017 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,2,0,0,0,0|2,0,0]=4 3018 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,2,0,0,0,0|2,0,0]=4 3019 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,2,0,0,0,0|2,0,0]=4 3020 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,2,0,0,0,0|2,0,0]=4 3021 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,2,0,0,0,0|2,0,0]=4 3022 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,2,0,0,0,0|1,0,0]=3 3023 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,2,0,0,0,0|1,0,0]=3 3024 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,2,0,0,0,0|2,0,0]=4 3025 B12R1.34 C#CC(=O)C(C)c1cnccn1 1458a_100000211873_200000703233 [0,2,0,0,0,0|2,0,0]=4 3026 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|2,0,0]=4 3027 B12R1.34 C=CC(=O)C(C)c1cnccn1 1458a_100000185746_200000703233 [0,2,0,0,0,0|2,0,0]=4 3028 B12R1.34 CC(C(=O)CF)c1ccccn1 1458a_100000722050_100015361967 [0,2,0,0,0,0|1,0,0]=3 3029 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,2,0,0,0,0|1,0,0]=3 3030 B12R1.34 CC(C(=O)CO)c1cnccn1 1458a_100000210174_200000703233 [0,2,0,0,0,0|1,0,0]=3 3031 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,2,0,0,0,0|2,0,0]=4 3032 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,2,0,0,0,0|1,0,0]=3 3033 B12R1.34 CCC(=O)C(C)c1cnccn1 1458a_100000210414_200000703233 [0,2,0,0,0,0|2,0,0]=4 3034 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,2,0,0,0,0|2,0,0]=4 3036 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,2,0,0,0,0|2,0,0]=4 3037 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,2,0,0,0,0|2,0,0]=4 3038 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,2,0,0,0,0|1,0,0]=3 3039 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,2,0,0,0,0|1,0,0]=3 3040 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,2,0,0,0,0|1,0,0]=3 3041 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,2,0,0,0,0|1,0,0]=3 3042 B12R1.34 CNC(=O)C(C)c1ncccn1 11a_106832991635_100011934538 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.34 CNC(=O)C(C)c1ncccn1 240690a_100102657272_100011934538 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.34 CNC(=O)C(C)c1ncccn1 527a_100102657272_100011934538 [0,2,0,0,0,0|2,0,0]=4 3045 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,2,0,0,0,0|2,0,0]=4 3046 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,2,0,0,0,0|2,0,0]=4 3049 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,2,0,0,0,0|2,0,0]=4 3050 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,2,0,0,0,0|2,0,0]=4 3051 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,2,0,0,0,0|2,0,0]=4 3052 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,2,0,0,0,0|2,0,0]=4 3054 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,2,0,0,0,0|2,0,0]=4 3061 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,2,0,0,0,0|2,0,0]=4 3065 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,2,0,0,0,0|2,0,0]=4 3066 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,2,0,0,0,0|2,0,0]=4 3067 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,2,0,0,0,0|2,0,0]=4 3068 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,2,0,0,0,0|2,0,0]=4 3069 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,2,0,0,0,0|2,0,0]=4 3077 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,2,0,0,0,0|2,0,0]=4 3080 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,2,0,0,0,0|2,0,0]=4 3081 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,2,0,0,0,0|2,0,0]=4 3089 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|1,0,0]=3 3099 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,2,0,0,0,0|0,0,0]=2 3100 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.478 CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200000210301 [0,2,0,0,0,0|1,0,1]=4 3102 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|2,0,0]=4 3104 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|2,0,0]=4 3106 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|1,0,0]=3 3112 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,2,0,0,0,0|0,0,0]=2 3113 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.478 [13CH3]N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200025704644 [0,2,0,0,0,0|1,0,1]=4 3115 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100000233486_100000184674 [0,2,0,0,0,0|1,0,0]=3 3121 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100011220946_100000721315 [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.32 C#CCC(=O)Cc1cccnn1 1458a_100011220946_100016990269 [0,2,0,0,0,0|2,0,0]=4 3123 B12R1.32 C#CCC(=O)Cc1cnccn1 1458a_100011220946_100016995436 [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.32 C#CCC(=O)Cc1ncccn1 1458a_100011220946_100000703007 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,2,0,0,0,0|1,0,0]=3 3127 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,2,0,0,0,0|1,0,0]=3 3128 B12R1.32 C=CCC(=O)Cc1cccnn1 1458a_100000210193_100016990269 [0,2,0,0,0,0|2,0,0]=4 3129 B12R1.32 C=CCC(=O)Cc1cnccn1 1458a_100000210193_100016995436 [0,2,0,0,0,0|2,0,0]=4 3130 B12R1.32 C=CCC(=O)Cc1ncccn1 1458a_100000210193_100000703007 [0,2,0,0,0,0|2,0,0]=4 3131 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,2,0,0,0,0|2,0,0]=4 3132 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,2,0,0,0,0|1,0,0]=3 3133 B12R1.32 CC#CC(=O)Cc1cccnn1 1458a_100000763181_100016990269 [0,2,0,0,0,0|2,0,0]=4 3134 B12R1.32 CC#CC(=O)Cc1cnccn1 1458a_100000763181_100016995436 [0,2,0,0,0,0|2,0,0]=4 3135 B12R1.32 CC#CC(=O)Cc1ncccn1 1458a_100000763181_100000703007 [0,2,0,0,0,0|2,0,0]=4 3136 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|2,0,0]=4 3137 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,2,0,0,0,0|1,0,0]=3 3138 B12R1.32 CC=CC(=O)Cc1cccnn1 1458a_100000210699_100016990269 [0,2,0,0,0,0|2,0,0]=4 3139 B12R1.32 CC=CC(=O)Cc1cnccn1 1458a_100000210699_100016995436 [0,2,0,0,0,0|2,0,0]=4 3140 B12R1.32 CC=CC(=O)Cc1ncccn1 1458a_100000210699_100000703007 [0,2,0,0,0,0|2,0,0]=4 3141 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,2,0,0,0,0|1,0,0]=3 3143 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,2,0,0,0,0|1,0,0]=3 3144 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,2,0,0,0,0|2,0,0]=4 3145 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.32 CCCC(=O)Cc1ncccn1 1458a_100000211992_100000703007 [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,2,0,0,0,0|1,0,0]=3 3148 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,2,0,0,0,0|2,0,0]=4 3152 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,2,0,0,0,0|1,0,0]=3 3163 B12R1.32 CNNC(=O)Cc1cnccn1 22a_100016993582_100000726051 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|1,0,0]=3 3165 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,2,0,0,0,0|0,0,0]=2 3166 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,2,0,0,0,0|1,0,0]=3 3168 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,2,0,0,0,0|1,0,0]=3 3170 B12R1.32 COCC(=O)Cc1ncccn1 1458a_100000210968_100000703007 [0,2,0,0,0,0|1,0,0]=3 3171 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,2,0,0,0,0|1,1,0]=4 3181 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,2,0,0,0,0|1,1,0]=4 3182 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,2,0,0,0,0|1,1,0]=4 3183 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,2,0,0,0,0|0,1,0]=3 3184 B12R1.32 CSCC(=O)Cc1cccnn1 1458a_100000184570_100016990269 [0,2,0,0,0,0|1,1,0]=4 3185 B12R1.32 CSCC(=O)Cc1cnccn1 1458a_100000184570_100016995436 [0,2,0,0,0,0|1,1,0]=4 3186 B12R1.32 CSCC(=O)Cc1ncccn1 1458a_100000184570_100000703007 [0,2,0,0,0,0|1,1,0]=4 3187 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,2,0,0,0,0|1,1,0]=4 3188 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,2,0,0,0,0|1,1,0]=4 3189 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100000233486_100011214920 [0,2,0,0,0,0|1,0,0]=3 3191 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100051588842_100000721315 [0,2,0,0,0,0|1,0,0]=3 3192 B12R1.32 N#CCC(=O)Cc1cccnn1 1458a_100051588842_100016990269 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.32 N#CCC(=O)Cc1cnccn1 1458a_100051588842_100016995436 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.32 N#CCC(=O)Cc1ncccn1 1458a_100051588842_100000703007 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.32 O=C(C=CBr)Cc1ccccn1 1458a_100016273825_100000721315 [0,2,0,0,0,0|1,0,0]=3 3197 B12R1.32 O=C(C=CBr)Cc1cccnn1 1458a_100016273825_100016990269 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.32 O=C(C=CBr)Cc1cnccn1 1458a_100016273825_100016995436 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.32 O=C(C=CBr)Cc1ncccn1 1458a_100016273825_100000703007 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.32 O=C(C=CCl)Cc1ccccn1 1458a_200016279998_100000721315 [0,2,0,0,0,0|1,0,0]=3 3202 B12R1.32 O=C(C=CCl)Cc1cccnn1 1458a_200016279998_100016990269 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.32 O=C(C=CCl)Cc1cnccn1 1458a_200016279998_100016995436 [0,2,0,0,0,0|2,0,0]=4 3204 B12R1.32 O=C(C=CCl)Cc1ncccn1 1458a_200016279998_100000703007 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.32 O=C(C=CI)Cc1ccccn1 1458a_100016256311_100000721315 [0,2,0,0,0,0|1,0,0]=3 3207 B12R1.32 O=C(C=CI)Cc1cccnn1 1458a_100016256311_100016990269 [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.32 O=C(C=CI)Cc1cnccn1 1458a_100016256311_100016995436 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.32 O=C(C=CI)Cc1ncccn1 1458a_100016256311_100000703007 [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,2,0,0,0,0|1,0,0]=3 3211 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,2,0,0,0,0|1,0,0]=3 3213 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|0,0,0]=2 3214 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|0,0,0]=2 3215 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.32 O=C(CCO)Cc1cccnn1 1458a_100011216618_100016990269 [0,2,0,0,0,0|1,0,0]=3 3218 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.32 O=C(CCO)Cc1cnccn1 1458a_100011216618_100016995436 [0,2,0,0,0,0|1,0,0]=3 3220 B12R1.32 O=C(CCO)Cc1ncccn1 1458a_100011216618_100000703007 [0,2,0,0,0,0|1,0,0]=3 3221 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,2,0,0,0,0|1,1,0]=4 3224 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,2,0,0,0,0|1,1,0]=4 3225 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,2,0,0,0,0|1,1,0]=4 3226 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,2,0,0,0,0|1,1,0]=4 3227 B12R1.50 C#CC(=O)Cc1cc(ccn1)Br 1458a_100000211873_100010173614 [0,2,0,0,0,0|1,0,0]=3 3228 B12R1.50 C#CC(=O)Cc1cc(ccn1)C 1458a_100000211873_100000718516 [0,2,0,0,0,0|1,0,0]=3 3229 B12R1.50 C#CC(=O)Cc1cc(ccn1)Cl 1458a_100000211873_100016988179 [0,2,0,0,0,0|1,0,0]=3 3230 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.50 C#CC(=O)Cc1cccc(n1)Br 1458a_100000211873_100009889011 [0,2,0,0,0,0|1,0,0]=3 3237 B12R1.50 C#CC(=O)Cc1cccc(n1)C 1458a_100000211873_100000757606 [0,2,0,0,0,0|1,0,0]=3 3238 B12R1.50 C#CC(=O)Cc1cccc(n1)Cl 1458a_100000211873_100000086093 [0,2,0,0,0,0|1,0,0]=3 3239 B12R1.50 C#CC(=O)Cc1cccc(n1)F 1458a_100000211873_100009819644 [0,2,0,0,0,0|1,0,0]=3 3240 B12R1.50 C#CC(=O)Cc1ccnc(n1)Cl 1458a_100000211873_100000099655 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.50 C=CC(=O)Cc1cc(ccn1)Br 1458a_100000185746_100010173614 [0,2,0,0,0,0|1,0,0]=3 3242 B12R1.50 C=CC(=O)Cc1cc(ccn1)C 1458a_100000185746_100000718516 [0,2,0,0,0,0|1,0,0]=3 3243 B12R1.50 C=CC(=O)Cc1cc(ccn1)Cl 1458a_100000185746_100016988179 [0,2,0,0,0,0|1,0,0]=3 3244 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|2,0,0]=4 3245 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|2,0,0]=4 3250 B12R1.50 C=CC(=O)Cc1cccc(n1)Br 1458a_100000185746_100009889011 [0,2,0,0,0,0|1,0,0]=3 3251 B12R1.50 C=CC(=O)Cc1cccc(n1)C 1458a_100000185746_100000757606 [0,2,0,0,0,0|1,0,0]=3 3252 B12R1.50 C=CC(=O)Cc1cccc(n1)Cl 1458a_100000185746_100000086093 [0,2,0,0,0,0|1,0,0]=3 3253 B12R1.50 C=CC(=O)Cc1cccc(n1)F 1458a_100000185746_100009819644 [0,2,0,0,0,0|1,0,0]=3 3254 B12R1.50 C=CC(=O)Cc1ccnc(n1)Cl 1458a_100000185746_100000099655 [0,2,0,0,0,0|2,0,0]=4 3255 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,2,0,0,0,0|1,0,0]=3 3256 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,2,0,0,0,0|1,0,0]=3 3257 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,2,0,0,0,0|1,0,0]=3 3258 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,2,0,0,0,0|2,0,0]=4 3263 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,2,0,0,0,0|2,0,0]=4 3264 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,2,0,0,0,0|2,0,0]=4 3265 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,2,0,0,0,0|2,0,0]=4 3268 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,2,0,0,0,0|2,0,0]=4 3270 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,2,0,0,0,0|1,0,0]=3 3271 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,2,0,0,0,0|1,0,0]=3 3272 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,2,0,0,0,0|1,0,0]=3 3273 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,2,0,0,0,0|1,0,0]=3 3274 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,2,0,0,0,0|1,0,0]=3 3275 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,2,0,0,0,0|1,0,0]=3 3276 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,2,0,0,0,0|1,0,0]=3 3277 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,2,0,0,0,0|1,0,0]=3 3278 B12R1.50 CCC(=O)Cc1ccnc(n1)Cl 1458a_100000210414_100000099655 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,2,0,0,0,0|1,0,0]=3 3301 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,2,0,0,0,0|1,0,0]=3 3302 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,2,0,0,0,0|1,0,0]=3 3303 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,2,0,0,0,0|1,0,0]=3 3304 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,2,0,0,0,0|1,0,0]=3 3305 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,2,0,0,0,0|1,0,0]=3 3306 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,2,0,0,0,0|1,0,0]=3 3307 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,2,0,0,0,0|1,0,0]=3 3308 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,2,0,0,0,0|1,0,0]=3 3309 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,2,0,0,0,0|1,0,0]=3 3310 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,2,0,0,0,0|1,0,0]=3 3311 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,2,0,0,0,0|1,0,0]=3 3312 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,2,0,0,0,0|1,0,0]=3 3313 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 11a_106832991635_100000095580 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 1626a_100102657272_100000095580 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 240690a_100102657272_100000095580 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 527a_100102657272_100000095580 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,2,0,0,0,0|0,0,0]=2 3318 B12R1.50 COC(=O)Cc1cc(ncn1)O 271570a_203496583355_100000104187 [0,2,0,0,0,0|1,0,0]=3 3319 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,2,0,0,0,0|1,0,0]=3 3320 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,2,0,0,0,0|0,0,0]=2 3321 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.50 COC(C)Cc1cccc(n1)C 34a_200015421231_200000210301 [0,2,0,0,0,0|1,0,1]=4 3323 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,2,0,0,0,0|1,0,0]=3 3326 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.50 Cc1cccc(n1)CC(=O)CF 1458a_100012001110_100015361967 [0,2,0,0,0,0|1,0,0]=3 3329 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,2,0,0,0,0|0,0,0]=2 3330 B12R1.50 Cc1cccc(n1)CC(C)O[13CH3] 34a_200015421231_200025704644 [0,2,0,0,0,0|1,0,1]=4 3331 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,2,0,0,0,0|0,0,0]=2 3332 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,2,0,0,0,0|2,0,0]=4 3334 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.50 O=C(CF)Cc1cccc(n1)Br 1458a_100010201708_100015361967 [0,2,0,0,0,0|1,0,0]=3 3339 B12R1.50 O=C(CF)Cc1cccc(n1)Cl 1458a_100000090259_100015361967 [0,2,0,0,0,0|1,0,0]=3 3340 B12R1.50 O=C(CF)Cc1cccc(n1)F 1458a_100000096803_100015361967 [0,2,0,0,0,0|1,0,0]=3 3341 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,2,0,0,0,0|0,0,0]=2 3342 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,2,0,0,0,0|0,0,0]=2 3343 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,2,0,0,0,0|1,0,0]=3 3344 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,2,0,0,0,0|1,0,0]=3 3345 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,2,0,0,0,0|1,0,0]=3 3346 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,2,0,0,0,0|1,0,0]=3 3347 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,2,0,0,0,0|1,0,0]=3 3348 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,2,0,0,0,0|0,0,0]=2 3349 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,2,0,0,0,0|0,0,0]=2 3350 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,2,0,0,0,0|0,0,0]=2 3351 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.50 O=C(CO)Cc1ccnc(n1)Cl 1458a_100000210174_100000099655 [0,2,0,0,0,0|1,0,0]=3 3354 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.371 C#CC(=O)Cc1ncccc1Br 1458a_100000211873_100025702911 [0,2,0,0,0,0|1,0,0]=3 3372 B12R1.371 C#CC(=O)Cc1ncccc1C 1458a_100000211873_100000696600 [0,2,0,0,0,0|1,0,0]=3 3373 B12R1.371 C#CC(=O)Cc1ncccc1Cl 1458a_100000211873_100000099807 [0,2,0,0,0,0|1,0,0]=3 3374 B12R1.371 C#CC(=O)Cc1ncccc1F 1458a_100000211873_100000104219 [0,2,0,0,0,0|1,0,0]=3 3375 B12R1.371 C#CC(=O)Cc1ncccc1O 1458a_100000211873_200020655725 [0,2,0,0,0,0|1,0,0]=3 3376 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.371 C=CC(=O)Cc1ncccc1Br 1458a_100000185746_100025702911 [0,2,0,0,0,0|1,0,0]=3 3382 B12R1.371 C=CC(=O)Cc1ncccc1C 1458a_100000185746_100000696600 [0,2,0,0,0,0|1,0,0]=3 3383 B12R1.371 C=CC(=O)Cc1ncccc1Cl 1458a_100000185746_100000099807 [0,2,0,0,0,0|1,0,0]=3 3384 B12R1.371 C=CC(=O)Cc1ncccc1F 1458a_100000185746_100000104219 [0,2,0,0,0,0|1,0,0]=3 3385 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [0,2,0,0,0,0|1,0,0]=3 3386 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,2,0,0,0,0|1,0,0]=3 3398 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,2,0,0,0,0|1,0,0]=3 3400 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,2,0,0,0,0|1,0,0]=3 3401 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,2,0,0,0,0|1,0,0]=3 3402 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,2,0,0,0,0|1,0,0]=3 3403 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,2,0,0,0,0|1,0,0]=3 3404 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,2,0,0,0,0|1,0,0]=3 3405 B12R1.371 CCC(=O)Cn1ncccc1=O 1458a_100000238584_100000210202 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,2,0,0,0,0|1,0,0]=3 3429 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,2,0,0,0,0|1,0,0]=3 3430 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,2,0,0,0,0|1,0,0]=3 3431 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,2,0,0,0,0|1,0,0]=3 3432 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,2,0,0,0,0|1,0,0]=3 3433 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,2,0,0,0,0|1,0,0]=3 3434 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,2,0,0,0,0|1,0,0]=3 3435 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.371 CNC(=O)Cn1ncccc1=O 11a_106832991635_100000238584 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.371 CNC(=O)Cn1ncccc1=O 1626a_100102657272_100000238584 [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.371 CNC(=O)Cn1ncccc1=O 240690a_100102657272_100000238584 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.371 CNC(=O)Cn1ncccc1=O 527a_100102657272_100000238584 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,2,0,0,0,0|1,0,0]=3 3441 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,2,0,0,0,0|0,0,0]=2 3443 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,2,0,0,0,0|1,0,0]=3 3446 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,2,0,0,0,0|1,0,0]=3 3449 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,2,0,0,0,0|0,0,0]=2 3450 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.371 O=C(CF)Cc1ncccc1Br 1458a_200012357574_100015361967 [0,2,0,0,0,0|1,0,0]=3 3460 B12R1.371 O=C(CF)Cc1ncccc1Cl 1458a_100011998755_100015361967 [0,2,0,0,0,0|1,0,0]=3 3461 B12R1.371 O=C(CF)Cn1ncccc1=O 1458a_100000238584_100015361967 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,2,0,0,0,0|1,0,0]=3 3463 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,2,0,0,0,0|1,0,0]=3 3464 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,2,0,0,0,0|1,0,0]=3 3465 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,2,0,0,0,0|1,0,0]=3 3466 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,2,0,0,0,0|0,0,0]=2 3471 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,2,0,0,0,0|0,0,0]=2 3472 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,2,0,0,0,0|0,0,0]=2 3473 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,2,0,0,0,0|0,0,0]=2 3474 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.75 CC(=O)Cc1ncccc1C#N 1458a_100000070787_100000099805 [0,2,0,0,0,0|1,0,0]=3 3489 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,2,0,0,0,0|1,0,0]=3 3543 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,2,0,0,0,0|1,0,0]=3 3545 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,2,0,0,0,0|1,0,0]=3 3546 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,2,0,0,0,0|1,0,0]=3 3547 B12R1.127 CC(=O)Cn1nc(ccc1=O)C 1458a_100000752069_200000210301 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.127 CC(=O)Cn1nc(ccc1=O)Cl 1458a_100000068233_200000210301 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.127 Cc1ccc(=O)n(n1)CC(=O)[13CH3] 1458a_100000752069_200025704644 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,2,0,0,0,0|2,0,0]=4 3555 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,2,0,0,0,0|2,0,0]=4 3558 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,2,0,0,0,0|2,0,0]=4 3559 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.127 [13CH3]C(=O)Cn1nc(ccc1=O)Cl 1458a_100000068233_200025704644 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,2,0,0,0,0|2,0,0]=4 3572 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,2,0,0,0,0|1,0,0]=3 3596 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,2,0,0,0,0|2,0,0]=4 3602 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,2,0,0,0,0|2,0,0]=4 3603 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,2,0,0,0,0|2,0,0]=4 3605 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.1009 CC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200000210301 [0,2,0,0,0,0|2,0,0]=4 3609 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,2,0,0,0,0|2,0,0]=4 3611 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100000070787_100010138402 [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200000210301 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100000070787_100000696636 [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100010172741_200000210301 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000070787_100000187851 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200000210301 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000070787_100000187852 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200000210301 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000070787_100000698325 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000684726_200000210301 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.1009 CC(=O)Cc1c(cccc1I)Br 1458a_100000070787_100010146611 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.1009 CC(=O)Cc1c(cccc1I)F 1458a_100000070787_100010149602 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200025704644 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200025704644 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)F 1458a_100010172741_200025704644 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200025704644 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200025704644 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1F)F 1458a_100000684726_200025704644 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.101 CC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000070787_100000185147 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000070787_100011216082 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200000210301 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000070787_100000766940 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200000210301 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000070787_100011219885 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200000210301 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100000070787_100000697002 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200000210301 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.101 CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000070787_100010146614 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.101 CC(=O)Cc1cc(cc(c1)I)F 1458a_100000070787_100010149605 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,2,0,0,0,0|1,0,0]=3 3654 B12R1.101 CC(=O)Cc1nc(cc(n1)C)C 1458a_100000070787_100011935097 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.101 CC(=O)Cc1nc(cc(n1)Cl)Cl 1458a_100000070787_200012001690 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200025704644 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200025704644 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200025704644 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200025704644 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.119 CC(C)(O)Cc1cccc(n1)O 271570a_203496583355_100010253926 [0,2,0,0,0,0|1,0,1]=4 3664 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.438 C=Cc1cccc(n1)NC(=O)C 271570a_100011290941_200011307899 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.438 C=Cc1ccnc(c1)NC(=O)C 271570a_100011290941_100012362434 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.438 CC(=O)Cc1cccc(n1)C#N 1458a_100000070787_100000097530 [0,2,0,0,0,0|1,0,0]=3 3675 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,2,0,0,0,0|1,0,0]=3 3676 B12R1.438 CC(=O)Nc1cc(ccn1)S[13CH3] 62a_200025704644_100012362434 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,2,0,0,0,0|1,0,0]=3 3686 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,2,0,0,0,0|1,0,0]=3 3687 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.438 CSc1ccnc(c1)NC(=O)C 62a_200000210301_100012362434 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [0,2,0,0,0,0|2,0,0]=4 3702 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|1,0,1]=4 3703 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,0,0,1,0,1|1,0,1]=4 3704 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [0,0,0,1,0,1|1,0,1]=4 3705 B12R2.24 Oc1cnc2ncccc2n1 271570a_203496583355_100000084304 [0,0,0,1,0,1|1,0,1]=4 3706 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,0,0,1,0,1|1,0,1]=4 3707 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,0,0,1,0,1|1,0,1]=4 3708 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,0,0,1,0,1|1,0,1]=4 3709 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,0,0,1,0,1|1,0,1]=4 3710 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|2,0,0]=4 3711 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|2,0,0]=4 3712 B12R2.606 Cc1nc2ncc(cc2o1)O 271570a_203496583355_100010235748 [0,1,0,1,0,0|2,0,0]=4 3713 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,1,0,1,0,0|2,0,0]=4 3714 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,1,0,1,0,0|2,0,0]=4 3715 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,1,0,1,0,0|2,0,0]=4 3716 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,1,0,1,0,0|2,0,0]=4 3717 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,1,0,1,0,0|2,0,0]=4 3718 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [0,1,0,1,0,0|1,0,0]=3 3719 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,1,0,1,0,0|1,0,0]=3 3720 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,1,0,1,0,0|2,0,0]=4 3721 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,1,0,1,0,0|2,0,0]=4 3722 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [0,1,0,1,0,0|2,0,0]=4 3723 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,1,0,1,0,0|1,0,0]=3 3724 B12R2.606 Oc1cnc2[nH]c(nc2c1)O 271570a_203496583355_100000755142 [0,1,0,1,0,0|2,0,0]=4 3725 B12R2.606 Oc1nc2ccc(nc2s1)F 271570a_203496583355_200010738066 [0,1,0,1,0,0|2,0,0]=4 3726 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,1,0,1,0,0|2,0,0]=4 3727 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,1,0,1,0,0|2,0,0]=4 3728 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,1,0,1,0,0|2,0,0]=4 3729 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,1,0,1,0,0|2,0,0]=4 3730 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,1,0,1,0,0|2,0,0]=4 3731 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [0,1,0,1,0,0|2,0,0]=4 3732 B12R2.202 Oc1cc2c(ccnc2[nH]1)Cl 271570a_203496583355_100010234028 [0,1,0,1,0,0|2,0,0]=4 3733 B12R2.202 Oc1cc2nccc(c2s1)Cl 271570a_203496583355_100010192579 [0,1,0,1,0,0|0,1,1]=4 3734 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,0,0,0,0,2|2,0,0]=4 3735 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,0,0,0,0,2|2,0,0]=4 3736 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,2|2,0,0]=4 3737 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,0,0,0,0,2|2,0,0]=4 3738 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,0,0,0,0,2|2,0,0]=4 3739 B12R1.252 C=C(F)COCc1ccccn1 34a_200010262243_100000721315 [0,0,0,0,0,2|2,0,0]=4 3740 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000042424_100000721315 [0,0,0,0,0,2|2,0,0]=4 3741 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000721315_100000042424 [0,0,0,0,0,2|2,0,0]=4 3742 B12R1.252 CC(=CCSc1ccccn1)C 62a_100000761012_100011216584 [0,0,0,0,0,2|2,0,0]=4 3743 B12R1.252 CC(=CCSc1ccccn1)C 62a_100011216584_100000761012 [0,0,0,0,0,2|2,0,0]=4 3744 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,2|2,0,0]=4 3745 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,2|2,0,0]=4 3746 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,2|2,0,0]=4 3747 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,2|2,0,0]=4 3748 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,2|2,0,0]=4 3749 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,2|1,0,0]=3 3750 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,2|2,0,0]=4 3751 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,2|2,0,0]=4 3752 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,2|2,0,0]=4 3753 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,2|2,0,0]=4 3754 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,2|2,0,0]=4 3755 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,2|2,0,0]=4 3756 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,2|2,0,0]=4 3757 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,2|1,0,0]=3 3758 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,2|1,0,0]=3 3759 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,2|2,0,0]=4 3760 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,2|2,0,0]=4 3761 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,2|2,0,0]=4 3762 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,2|2,0,0]=4 3763 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,2|2,0,0]=4 3764 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,2|2,0,0]=4 3765 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,2|2,0,0]=4 3766 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,2|2,0,0]=4 3767 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,2|2,0,0]=4 3768 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,2|2,0,0]=4 3769 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,2|1,0,0]=3 3770 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,2|2,0,0]=4 3771 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,2|2,0,0]=4 3772 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,2|2,0,0]=4 3773 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,2|2,0,0]=4 3774 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,2|2,0,0]=4 3775 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,2|1,0,0]=3 3776 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,2|2,0,0]=4 3777 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,2|2,0,0]=4 3778 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,2|2,0,0]=4 3779 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,2|2,0,0]=4 3780 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,2|1,0,0]=3 3781 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,2|1,0,0]=3 3782 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,2|1,0,0]=3 3783 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,2|1,0,0]=3 3784 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,2|2,0,0]=4 3785 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,2|2,0,0]=4 3786 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,2|2,0,0]=4 3787 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,2|2,0,0]=4 3788 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,0,0,0,0,2|1,0,1]=4 3789 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,2|2,0,0]=4 3790 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,2|1,0,0]=3 3791 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,2|2,0,0]=4 3792 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,2|2,0,0]=4 3793 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,2|2,0,0]=4 3794 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,2|2,0,0]=4 3795 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,2|1,0,0]=3 3796 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,2|1,0,0]=3 3797 B12R1.252 CC(=O)OCSc1cccnn1 62a_100000076356_100016991348 [0,0,0,0,0,2|2,0,0]=4 3798 B12R1.252 CC(=O)OCSc1cccnn1 62a_100016991348_100000076356 [0,0,0,0,0,2|2,0,0]=4 3799 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000076356_100000703185 [0,0,0,0,0,2|2,0,0]=4 3800 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000703185_100000076356 [0,0,0,0,0,2|2,0,0]=4 3801 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000076356_100000211759 [0,0,0,0,0,2|2,0,0]=4 3802 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000211759_100000076356 [0,0,0,0,0,2|2,0,0]=4 3803 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000076356_100000211032 [0,0,0,0,0,2|2,0,0]=4 3804 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000211032_100000076356 [0,0,0,0,0,2|2,0,0]=4 3805 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,0,0,0,0,2|1,0,1]=4 3806 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,0,0,0,0,2|1,0,1]=4 3807 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,0,0,0,0,2|1,0,1]=4 3808 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,0,0,0,0,2|1,0,1]=4 3809 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,0,0,0,0,2|1,0,1]=4 3810 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,0,0,0,0,2|1,0,1]=4 3811 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,0,0,0,0,2|1,0,1]=4 3812 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,0,0,0,0,2|1,0,1]=4 3813 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,0,0,0,0,2|1,0,1]=4 3814 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,0,0,0,0,2|1,0,1]=4 3815 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,2|2,0,0]=4 3816 B12R1.252 NC(=O)CCNc1cccnn1 27a_100000740010_100016991348 [0,0,0,0,0,2|2,0,0]=4 3817 B12R1.252 NC(=O)CCNc1ccncn1 27a_100000740010_100000703185 [0,0,0,0,0,2|2,0,0]=4 3818 B12R1.252 NC(=O)CCNc1cnccn1 27a_100000740010_100000211759 [0,0,0,0,0,2|2,0,0]=4 3819 B12R1.252 NC(=O)CCNc1ncccn1 27a_100000740010_100000211032 [0,0,0,0,0,2|2,0,0]=4 3820 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,2|2,0,0]=4 3821 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,2|2,0,0]=4 3822 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,2|2,0,0]=4 3823 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,2|2,0,0]=4 3824 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,2|1,0,0]=3 3825 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,2|1,0,0]=3 3826 B12R1.252 NC(=O)CCSc1cccnn1 62a_100000744528_100016991348 [0,0,0,0,0,2|2,0,0]=4 3827 B12R1.252 NC(=O)CCSc1cccnn1 62a_100016991348_100000744528 [0,0,0,0,0,2|2,0,0]=4 3828 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000703185_100000744528 [0,0,0,0,0,2|2,0,0]=4 3829 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000744528_100000703185 [0,0,0,0,0,2|2,0,0]=4 3830 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000211759_100000744528 [0,0,0,0,0,2|2,0,0]=4 3831 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000744528_100000211759 [0,0,0,0,0,2|2,0,0]=4 3832 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000211032_100000744528 [0,0,0,0,0,2|2,0,0]=4 3833 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000744528_100000211032 [0,0,0,0,0,2|2,0,0]=4 3834 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,2|2,0,0]=4 3835 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,2|2,0,0]=4 3836 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,2|2,0,0]=4 3837 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,2|1,0,0]=3 3838 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100000711301_100016990269 [0,0,0,0,0,2|2,0,0]=4 3839 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100159270163_100000747473 [0,0,0,0,0,2|2,0,0]=4 3840 B12R1.252 NC(=O)CNCc1cnccn1 2230a_100000711301_100016995436 [0,0,0,0,0,2|2,0,0]=4 3841 B12R1.252 NC(=O)CNCc1ncccn1 2230a_100000711301_100000703007 [0,0,0,0,0,2|2,0,0]=4 3842 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,2|2,0,0]=4 3843 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,2|2,0,0]=4 3844 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,2|2,0,0]=4 3845 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,2|2,0,0]=4 3846 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,2|1,0,0]=3 3847 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,2|1,0,0]=3 3848 B12R1.252 NC(=O)CSCc1cccnn1 62a_100000747473_100016990269 [0,0,0,0,0,2|2,0,0]=4 3849 B12R1.252 NC(=O)CSCc1cccnn1 62a_100016990269_100000747473 [0,0,0,0,0,2|2,0,0]=4 3850 B12R1.252 NC(=O)CSCc1cnccn1 62a_100000747473_100016995436 [0,0,0,0,0,2|2,0,0]=4 3851 B12R1.252 NC(=O)CSCc1cnccn1 62a_100016995436_100000747473 [0,0,0,0,0,2|2,0,0]=4 3852 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000703007_100000747473 [0,0,0,0,0,2|2,0,0]=4 3853 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000747473_100000703007 [0,0,0,0,0,2|2,0,0]=4 3854 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,2|1,0,0]=3 3855 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,2|0,0,0]=2 3856 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,2|2,0,0]=4 3857 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,2|1,0,0]=3 3858 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,2|2,0,0]=4 3859 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,2|1,0,0]=3 3860 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,2|1,0,0]=3 3861 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,2|1,0,1]=4 3862 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,2|1,0,1]=4 3863 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,2|1,0,1]=4 3864 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,2|1,0,1]=4 3865 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,2|0,0,1]=3 3866 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,2|0,0,1]=3 3867 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100016990269_100020667443 [0,0,0,0,0,2|1,0,1]=4 3868 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100020667443_100016990269 [0,0,0,0,0,2|1,0,1]=4 3869 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100016995436_100020667443 [0,0,0,0,0,2|1,0,1]=4 3870 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100020667443_100016995436 [0,0,0,0,0,2|1,0,1]=4 3871 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100000703007_100020667443 [0,0,0,0,0,2|1,0,1]=4 3872 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100020667443_100000703007 [0,0,0,0,0,2|1,0,1]=4 3873 B12R1.252 O=[N+]([O-])CSCc1ccccn1 62a_100000721315_100000761209 [0,0,0,0,0,2|1,0,1]=4 3874 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,2|2,0,0]=4 3875 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,2|2,0,0]=4 3876 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,2|1,0,0]=3 3877 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,2|2,0,0]=4 3878 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,2|2,0,0]=4 3879 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,2|2,0,0]=4 3880 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,2|2,0,0]=4 3881 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,2|1,0,0]=3