0 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,0,0|2,1,0]=4 180 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.40 C#CC(=O)Cc1cccnn1 1458a_100000211873_100016990269 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.40 C#CC(=O)Cc1cncnc1 1458a_100000211873_100015196519 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.40 C#CC(=O)Cc1ncccn1 1458a_100000211873_100000703007 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.40 C=CC(=O)Cc1cncnc1 1458a_100000185746_100015196519 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.40 C=CC(=O)Cc1ncccn1 1458a_100000185746_100000703007 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|1,0,1]=3 287 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|1,1,1]=4 289 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|1,1,1]=4 290 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|1,0,1]=3 334 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|1,0,1]=3 335 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|1,0,1]=3 336 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|1,1,1]=4 339 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|1,1,1]=4 340 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.40 O=C(CF)Cc1cncnc1 1458a_100000721575_100015361967 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|0,0,0]=1 347 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,0|1,0,0]=2 351 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,0|1,0,0]=2 363 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,0|1,0,0]=2 364 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,0|1,0,0]=2 366 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,0|1,0,0]=2 456 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,0|1,0,0]=2 458 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,0|1,0,0]=2 484 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,0|1,0,0]=2 588 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,0|2,0,0]=3 597 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,0,1,0,0,0|3,0,0]=4 598 B9R0.4 C=CC=CC(=O)CC(=C)F 1458a_100016291481_100009893438 [0,0,1,0,0,0|3,0,0]=4 599 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,0,1,0,0,0|2,0,0]=3 600 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,0,1,0,0,0|1,0,1]=3 601 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,0,1,0,0,0|2,0,1]=4 602 B9R0.4 C=CC=CC(=O)C[N+](=O)[O-] 1458a_100016291481_100000761209 [0,0,1,0,0,0|2,0,1]=4 603 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [0,0,0,1,0,0|3,0,0]=4 604 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [0,0,0,1,0,0|3,0,0]=4 605 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [0,0,0,1,0,0|3,0,0]=4 606 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,0|1,0,1]=3 607 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,0|0,0,2]=3 608 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,0|0,1,1]=3 609 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [0,0,0,1,0,0|2,0,1]=4 610 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [0,0,0,1,0,0|2,0,1]=4 611 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,0,0|2,0,0]=3 612 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,0,0|1,1,0]=3 613 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [0,0,0,1,0,0|2,1,0]=4 614 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [0,0,0,1,0,0|3,0,0]=4 615 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [0,0,0,1,0,0|3,0,0]=4 616 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [0,0,0,1,0,0|3,0,0]=4 617 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,1,0|2,0,0]=3 618 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,1,0|3,0,0]=4 619 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,1,0|3,0,0]=4 620 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,1,0|3,0,0]=4 621 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,1,0|1,0,0]=2 622 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,1,0|3,0,0]=4 623 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,1,0|3,0,0]=4 624 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,1,0|3,0,0]=4 625 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,1,0|3,0,0]=4 626 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,1,0|3,0,0]=4 627 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,1,0|3,0,0]=4 628 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,1,0|1,0,0]=2 629 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|3,0,0]=4 630 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|3,0,0]=4 631 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|2,0,0]=3 632 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|2,0,0]=3 633 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|2,0,0]=3 634 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,1,0|3,0,0]=4 635 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,1,0|3,0,0]=4 636 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|2,0,0]=3 637 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|3,0,0]=4 638 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|2,0,0]=3 639 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|2,0,0]=3 640 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,1,0|3,0,0]=4 641 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|3,0,0]=4 642 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|3,0,0]=4 643 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|3,0,0]=4 644 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|3,0,0]=4 645 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,1,0|2,0,0]=3 646 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|3,0,0]=4 647 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,0,0,1,0|3,0,0]=4 648 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|3,0,0]=4 649 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|2,0,0]=3 650 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|2,0,0]=3 651 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|2,0,0]=3 652 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,1,0|3,0,0]=4 653 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|2,0,0]=3 654 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|2,0,0]=3 655 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|3,0,0]=4 656 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,1,0|2,0,0]=3 657 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|3,0,0]=4 658 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,0,0,1,0|3,0,0]=4 659 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,1|2,0,0]=3 660 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,1|2,0,0]=3 661 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,1|2,0,0]=3 662 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,1|3,0,0]=4 663 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,1|3,0,0]=4 664 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,0,1|3,0,0]=4 665 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,1|2,0,0]=3 666 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,1|2,0,0]=3 667 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,1|3,0,0]=4 668 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,1|3,0,0]=4 669 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,1|3,0,0]=4 670 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,1|3,0,0]=4 671 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,0,0,0,0,1|3,0,0]=4 672 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,0,0,0,0,1|3,0,0]=4 673 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,1|2,0,0]=3 674 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,1|2,0,0]=3 675 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,1|2,0,0]=3 676 B11R1.91 C=C(F)COc1cccnc1 34a_100000210849_100009893438 [0,0,0,0,0,1|3,0,0]=4 677 B11R1.91 C=C(F)COc1cccnc1 7a_100000210849_100000042424 [0,0,0,0,0,1|3,0,0]=4 678 B11R1.91 C=C(F)COc1ccncc1 34a_100000212176_100009893438 [0,0,0,0,0,1|3,0,0]=4 679 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,1|2,0,0]=3 680 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,1|2,0,0]=3 681 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,0,0,0,0,1|3,0,0]=4 682 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,0,0,0,0,1|3,0,0]=4 683 B11R1.91 C=C(F)CSc1cccnc1 62a_100000042424_100000210063 [0,0,0,0,0,1|3,0,0]=4 684 B11R1.91 C=C(F)CSc1cccnc1 62a_100000210063_100000042424 [0,0,0,0,0,1|3,0,0]=4 685 B11R1.91 C=C(F)CSc1ccncc1 62a_100000042424_100000728582 [0,0,0,0,0,1|3,0,0]=4 686 B11R1.91 C=C(F)CSc1ccncc1 62a_100000728582_100000042424 [0,0,0,0,0,1|3,0,0]=4 687 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,1|1,0,1]=3 688 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,1|2,0,1]=4 689 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,1|1,0,1]=3 690 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|2,0,1]=4 691 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,1|2,0,1]=4 692 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,1|2,0,1]=4 693 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|1,0,0]=2 694 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|1,0,0]=2 695 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|2,0,0]=3 696 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|2,0,0]=3 697 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,1|2,0,0]=3 698 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,1|2,0,0]=3 699 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,1|2,0,0]=3 700 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,1|2,0,0]=3 701 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,1|1,0,0]=2 702 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|2,0,0]=3 703 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,1|2,0,0]=3 704 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,1|1,0,0]=2 705 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|2,0,0]=3 706 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,1|2,0,0]=3 707 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,1|1,0,0]=2 708 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,1|1,0,0]=2 709 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,1|1,0,0]=2 710 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,1|1,0,0]=2 711 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 712 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 713 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 714 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|2,0,0]=3 715 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 716 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 717 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,1|2,0,0]=3 718 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|3,0,0]=4 719 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|3,0,0]=4 720 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|3,0,0]=4 721 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 722 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 723 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 724 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,1|2,0,0]=3 725 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|3,0,0]=4 726 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|3,0,0]=4 727 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|3,0,0]=4 728 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|3,0,0]=4 729 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|3,0,0]=4 730 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|3,0,0]=4 731 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 732 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 733 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,1|3,0,0]=4 734 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|3,0,0]=4 735 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|3,0,0]=4 736 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|3,0,0]=4 737 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,1|2,0,0]=3 738 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,1|3,0,0]=4 739 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,1|3,0,0]=4 740 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,1|3,0,0]=4 741 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,0,0,0,0,1|2,0,1]=4 742 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,0,1|2,0,1]=4 743 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,0,1|2,0,1]=4 744 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,0,0,0,0,1|2,0,1]=4 745 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,0,0,0,0,1|2,0,1]=4 746 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,0,0,0,0,1|2,0,1]=4 747 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,0,0,0,0,1|2,0,1]=4 748 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,0,0,0,0,1|2,0,1]=4 749 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,0,0,0,0,1|2,0,1]=4 750 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,0,0,0,0,1|2,0,1]=4 751 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,1|2,0,1]=4 752 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,1|2,0,1]=4 753 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,1|2,0,1]=4 754 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,0,0,0,0,1|2,0,1]=4 755 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,0,0,0,0,1|2,0,1]=4 756 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,1|1,0,2]=4 757 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,1|1,0,1]=3 758 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,1|1,0,1]=3 759 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,1|1,0,1]=3 760 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,0,0,0,0,1|2,0,1]=4 761 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,0,0,0,0,1|2,0,1]=4 762 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,0,0,0,0,1|2,0,1]=4 763 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,1|1,0,1]=3 764 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,1|1,0,1]=3 765 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,0,0,0,0,1|2,0,1]=4 766 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,0,0,0,0,1|2,0,1]=4 767 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,0,0,0,0,1|2,0,1]=4 768 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,0,0,0,0,1|2,0,1]=4 769 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [0,0,0,0,0,1|2,0,1]=4 770 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [0,0,0,0,0,1|2,0,1]=4 771 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 772 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 773 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 774 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 775 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,0,0,0,0,1|3,0,0]=4 776 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,0,0,0,0,1|3,0,0]=4 777 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 778 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 779 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,1|1,0,1]=3 780 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,1|1,0,1]=3 781 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,1|1,0,1]=3 782 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,0,0,0,0,1|2,0,1]=4 783 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,0,0,0,0,1|2,0,1]=4 784 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,0,0,0,0,1|2,0,1]=4 785 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,1|1,0,1]=3 786 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,1|1,0,1]=3 787 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,0,0,0,0,1|2,0,1]=4 788 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,0,0,0,0,1|2,0,1]=4 789 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,0,0,0,0,1|2,0,1]=4 790 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,0,0,0,0,1|2,0,1]=4 791 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [0,0,0,0,0,1|2,0,1]=4 792 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [0,0,0,0,0,1|2,0,1]=4 793 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,0,0,0,0,1|2,0,1]=4 794 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,0,0,0,0,1|2,0,1]=4 795 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,0,0,0,0,1|2,0,1]=4 796 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,0,0,0,0,1|2,0,1]=4 797 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,0,0,0,0,1|2,0,1]=4 798 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,1|1,0,0]=2 799 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,1|1,0,0]=2 800 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,1|1,0,0]=2 801 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,1|2,0,0]=3 802 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,1|2,0,0]=3 803 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,1|2,0,0]=3 804 B11R1.91 NC(=O)COc1ccnnc1 34a_100015204005_100000187820 [0,0,0,0,0,1|3,0,0]=4 805 B11R1.91 NC(=O)COc1cncnc1 7a_100000754086_100000187820 [0,0,0,0,0,1|3,0,0]=4 806 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,1|1,0,0]=2 807 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,1|1,0,0]=2 808 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,1|2,0,0]=3 809 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,1|2,0,0]=3 810 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,1|2,0,0]=3 811 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,1|2,0,0]=3 812 B11R1.91 NC(=O)CSc1cccnn1 62a_100000747473_100016991348 [0,0,0,0,0,1|3,0,0]=4 813 B11R1.91 NC(=O)CSc1cccnn1 62a_100016991348_100000747473 [0,0,0,0,0,1|3,0,0]=4 814 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,1|2,0,0]=3 815 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,1|2,0,0]=3 816 B11R1.91 NC(=O)CSc1ccncn1 62a_100000703185_100000747473 [0,0,0,0,0,1|3,0,0]=4 817 B11R1.91 NC(=O)CSc1ccncn1 62a_100000747473_100000703185 [0,0,0,0,0,1|3,0,0]=4 818 B11R1.91 NC(=O)CSc1ccnnc1 62a_100000732662_100000747473 [0,0,0,0,0,1|3,0,0]=4 819 B11R1.91 NC(=O)CSc1ccnnc1 62a_100000747473_100000732662 [0,0,0,0,0,1|3,0,0]=4 820 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,1|3,0,0]=4 821 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,1|3,0,0]=4 822 B11R1.91 NC(=O)CSc1cncnc1 62a_100000747473_100011206942 [0,0,0,0,0,1|3,0,0]=4 823 B11R1.91 NC(=O)CSc1cncnc1 62a_100011206942_100000747473 [0,0,0,0,0,1|3,0,0]=4 824 B11R1.91 NC(=O)CSc1ncccn1 62a_100000211032_100000747473 [0,0,0,0,0,1|3,0,0]=4 825 B11R1.91 NC(=O)CSc1ncccn1 62a_100000747473_100000211032 [0,0,0,0,0,1|3,0,0]=4 826 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,1|0,0,1]=2 827 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,1|0,0,1]=2 828 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,1|1,0,1]=3 829 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,1|1,0,1]=3 830 B11R1.91 O=C([O-])COc1ccnnc1 34a_100015204005_100020667443 [0,0,0,0,0,1|2,0,1]=4 831 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,1|0,0,1]=2 832 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,1|0,0,1]=2 833 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,1|1,0,1]=3 834 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,1|1,0,1]=3 835 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,1|1,0,1]=3 836 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,1|1,0,1]=3 837 B11R1.91 O=C([O-])CSc1cccnn1 62a_100016991348_100020667443 [0,0,0,0,0,1|2,0,1]=4 838 B11R1.91 O=C([O-])CSc1cccnn1 62a_100020667443_100016991348 [0,0,0,0,0,1|2,0,1]=4 839 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,1|1,0,1]=3 840 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,1|1,0,1]=3 841 B11R1.91 O=C([O-])CSc1ccncn1 62a_100000703185_100020667443 [0,0,0,0,0,1|2,0,1]=4 842 B11R1.91 O=C([O-])CSc1ccncn1 62a_100020667443_100000703185 [0,0,0,0,0,1|2,0,1]=4 843 B11R1.91 O=C([O-])CSc1ccnnc1 62a_100000732662_100020667443 [0,0,0,0,0,1|2,0,1]=4 844 B11R1.91 O=C([O-])CSc1ccnnc1 62a_100020667443_100000732662 [0,0,0,0,0,1|2,0,1]=4 845 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,1|2,0,1]=4 846 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,1|2,0,1]=4 847 B11R1.91 O=C([O-])CSc1cncnc1 62a_100011206942_100020667443 [0,0,0,0,0,1|2,0,1]=4 848 B11R1.91 O=C([O-])CSc1cncnc1 62a_100020667443_100011206942 [0,0,0,0,0,1|2,0,1]=4 849 B11R1.91 O=C([O-])CSc1ncccn1 62a_100000211032_100020667443 [0,0,0,0,0,1|2,0,1]=4 850 B11R1.91 O=C([O-])CSc1ncccn1 62a_100020667443_100000211032 [0,0,0,0,0,1|2,0,1]=4 851 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,1|1,0,1]=3 852 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,1|1,0,1]=3 853 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,0,0,0,0,1|2,0,1]=4 854 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,0,0,0,0,1|2,0,1]=4 855 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,1|1,0,1]=3 856 B11R1.91 O=[N+]([O-])CSc1ccccn1 62a_100011216584_100000761209 [0,0,0,0,0,1|2,0,1]=4 857 B11R1.91 O=[N+]([O-])CSc1cccnc1 62a_100000210063_100000761209 [0,0,0,0,0,1|2,0,1]=4 858 B11R1.91 O=[N+]([O-])CSc1ccncc1 62a_100000728582_100000761209 [0,0,0,0,0,1|2,0,1]=4 859 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,1|1,0,1]=3 860 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,1|2,0,1]=4 861 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,1|1,0,1]=3 862 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|2,0,1]=4 863 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,1|2,0,1]=4 864 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,1|2,0,1]=4 865 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|1,0,0]=2 866 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|2,0,0]=3 867 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,1|2,0,0]=3 868 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,1|2,0,0]=3 869 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,1|1,0,0]=2 870 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|2,0,0]=3 871 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,1|2,0,0]=3 872 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,1|1,0,0]=2 873 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|2,0,0]=3 874 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,1|2,0,0]=3 875 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|2,0,0]=4 876 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|1,0,1]=4 877 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 878 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 879 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 880 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 881 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 882 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 883 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 884 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 885 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 886 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 887 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 888 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 889 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 890 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 891 B10R0.6 C/C=C/C=CC(=O)CC(=O)N 1458a_100000185730_100000187820 [0,1,1,0,0,0|1,0,1]=4 892 B10R0.6 C/C=C/C=CC(=O)CC(=O)[O-] 1458a_100000185730_100020667443 [0,1,1,0,0,0|0,0,2]=4 893 B10R0.18 C=CC=CC(=O)CC(=O)CC 1458a_100016291481_100000747405 [0,1,1,0,0,0|2,0,0]=4 894 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,1,1,0,0,0|2,0,0]=4 895 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,1,1,0,0,0|1,0,0]=3 896 B10R0.81 C=CC=CC(=O)C(C)C(=O)C 1458a_100016291481_100000179758 [0,1,1,0,0,0|2,0,0]=4 897 B10R0.81 C=CC=CC(=O)C(C)C(=O)N 1458a_100016291481_100000702099 [0,1,1,0,0,0|2,0,0]=4 898 B10R0.81 C=CC=CC(=O)C(F)C(=O)N 1458a_100016291481_100009813875 [0,1,1,0,0,0|2,0,0]=4 899 B10R0.81 C=CC=CC(=O)C(F)C(=O)[O-] 1458a_100016291481_100020610796 [0,1,1,0,0,0|1,0,1]=4 900 B10R0.79 C=CCN(CC=C)CC(=O)O 269956a_100000744315_100000210623 [0,1,1,0,0,0|1,0,1]=4 901 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,1]=4 904 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,1]=4 905 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,1]=4 906 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,1]=4 908 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 909 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 935 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 951 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 962 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 963 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 964 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 971 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,0]=2 983 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,1]=3 984 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 992 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,1]=3 1091 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|2,0,0]=4 1160 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,0]=2 1207 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,1]=3 1208 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|1,0,1]=4 1209 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|1,0,0]=3 1258 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|1,0,0]=3 1259 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|1,0,0]=3 1260 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|1,0,0]=3 1264 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|1,0,0]=3 1265 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,1]=4 1274 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|1,0,1]=4 1278 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1279 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,1]=4 1281 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1283 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 1284 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|1,0,1]=4 1287 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1293 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|0,0,1]=3 1295 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|0,0,1]=3 1296 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|0,0,1]=3 1297 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,1,0,0,0,0|1,0,1]=4 1298 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,1,0,0,0,0|1,0,1]=4 1299 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,1,0,0,0,0|1,0,1]=4 1300 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|1,0,1]=4 1301 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|1,0,1]=4 1302 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|0,1,1]=4 1303 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|0,1,1]=4 1304 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|1,0,1]=4 1311 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 1312 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 1313 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|1,0,1]=4 1315 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|1,0,1]=4 1316 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1317 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1318 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|1,0,1]=4 1319 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|1,0,1]=4 1320 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,1,0,0,0,0|1,0,1]=4 1321 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,1,0,0,0,0|1,0,1]=4 1322 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,1,0,0,0,0|1,0,1]=4 1323 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|0,0,0]=2 1324 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|0,0,0]=2 1325 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|0,0,0]=2 1326 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,1,0,0,0,0|1,0,0]=3 1327 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,1,0,0,0,0|1,0,0]=3 1328 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|0,0,0]=2 1332 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|0,0,0]=2 1333 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|1,0,0]=3 1334 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|1,0,0]=3 1335 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,1,0,0,0,0|1,0,0]=3 1336 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,1,0,0,0,0|1,0,0]=3 1337 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,1,0,0,0,0|1,0,0]=3 1340 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,1,0,0,0,0|1,0,0]=3 1341 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|0,0,1]=3 1352 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|0,0,1]=3 1353 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|0,0,1]=3 1354 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,1,0,0,0,0|1,0,1]=4 1355 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|0,0,1]=3 1358 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|0,0,1]=3 1359 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,1,0,0,0,0|1,0,1]=4 1360 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,1,0,0,0,0|1,0,1]=4 1363 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [1,1,0,0,0,0|1,0,1]=4 1364 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [1,1,0,0,0,0|1,0,1]=4 1365 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1366 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1367 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|0,0,1]=3 1368 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|0,0,1]=3 1369 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,1,0,0,0,0|1,0,1]=4 1372 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|0,1,1]=4 1373 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|0,1,1]=4 1374 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,1,0|2,0,0]=4 1377 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,1,0|2,0,0]=4 1378 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,1,0|2,0,0]=4 1379 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,1,0|2,0,0]=4 1380 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,1,0|2,0,0]=4 1381 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,1,0|2,0,0]=4 1382 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,1,0|2,0,0]=4 1383 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,1,0|1,0,0]=3 1384 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,1,0|1,0,0]=3 1385 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,1,0|1,0,0]=3 1386 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,1,0|1,0,0]=3 1387 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,1,0|1,0,0]=3 1388 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,1,0|1,0,0]=3 1389 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,1,0|1,0,0]=3 1390 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,1,0|2,0,0]=4 1391 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,1,0|2,0,0]=4 1392 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,1,0|1,0,1]=4 1393 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,1,0|2,0,0]=4 1394 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,1,0|1,0,0]=3 1395 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,1,0|1,0,0]=3 1396 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,1,0|2,0,0]=4 1397 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,1,0|2,0,0]=4 1398 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,1,0,0,1,0|1,0,1]=4 1399 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,1,0|1,0,0]=3 1400 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,1,0|1,0,0]=3 1401 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,1,0|1,0,0]=3 1402 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,1,0|1,0,0]=3 1403 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,1,0|1,0,0]=3 1404 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,1,0|2,0,0]=4 1405 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,1,0|2,0,0]=4 1406 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,1,0|2,0,0]=4 1407 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,1,0|2,0,0]=4 1408 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,1,0|2,0,0]=4 1409 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,1,0|2,0,0]=4 1410 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,1,0|1,0,0]=3 1411 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,1,0|1,0,0]=3 1412 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,1,0|1,0,0]=3 1413 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,1,0|1,0,0]=3 1414 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,1,0|1,0,0]=3 1415 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,1,0|1,0,0]=3 1416 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,1,0|1,0,0]=3 1417 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,1,0|1,0,0]=3 1418 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,1,0|2,0,0]=4 1419 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,1,0|2,0,0]=4 1420 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,1,0|2,0,0]=4 1421 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,1,0|2,0,0]=4 1422 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,1,0,0,1,0|1,0,1]=4 1423 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,1,0|2,0,0]=4 1424 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,1,0|1,0,0]=3 1425 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,1,0|1,0,0]=3 1426 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,1,0|2,0,0]=4 1427 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,1,0|2,0,0]=4 1428 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,1,0|2,0,0]=4 1429 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,1,0|2,0,0]=4 1430 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,1,0,0,1,0|1,0,1]=4 1431 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,1,0|1,0,0]=3 1432 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,1,0|1,0,0]=3 1433 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,1,0|1,0,0]=3 1434 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,1,0|1,0,0]=3 1435 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,1,0|1,0,0]=3 1436 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,1,0|1,0,0]=3 1437 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,1,0|2,0,0]=4 1438 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,1,0|2,0,0]=4 1439 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,1,0|2,0,0]=4 1440 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,1,0|2,0,0]=4 1441 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,1,0|2,0,0]=4 1442 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,1,0|2,0,0]=4 1443 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,1,0|2,0,0]=4 1444 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,1,0|2,0,0]=4 1445 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,1,0|2,0,0]=4 1446 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,1,0|1,0,0]=3 1447 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,1,0|1,0,0]=3 1448 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,1,0|1,0,0]=3 1449 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,1,0|1,0,0]=3 1450 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,1,0|1,0,0]=3 1451 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,1,0|1,0,0]=3 1452 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,1,0|1,0,0]=3 1453 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,1,0|2,0,0]=4 1454 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,1,0|2,0,0]=4 1455 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,1,0|2,0,0]=4 1456 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,1,0|1,0,1]=4 1457 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,1,0|2,0,0]=4 1458 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,1,0|1,0,0]=3 1459 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,1,0|2,0,0]=4 1460 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,1,0|1,0,0]=3 1461 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,1,0|2,0,0]=4 1462 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,1,0|2,0,0]=4 1463 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,1,0|2,0,0]=4 1464 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [0,1,0,0,1,0|1,0,1]=4 1465 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,1,0|1,0,0]=3 1466 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,1,0|1,0,0]=3 1467 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,1,0|1,0,0]=3 1468 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,1,0|1,0,0]=3 1469 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,1,0|1,0,0]=3 1470 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,1,0|2,0,0]=4 1471 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,1,0|2,0,0]=4 1472 B10R1.27 C#CC(=O)Cc1ccsc1 1458a_100000211873_100011233845 [0,1,0,0,1,0|2,0,0]=4 1473 B10R1.27 C=CC(=O)Cc1ccsc1 1458a_100000185746_100011233845 [0,1,0,0,1,0|2,0,0]=4 1474 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,1,0|2,0,0]=4 1475 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,1,0|2,0,0]=4 1476 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,1,0|2,0,0]=4 1477 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,1,0,0,1,0|2,0,0]=4 1478 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,1,0|2,0,0]=4 1479 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,1,0|2,0,0]=4 1480 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,1,0,0,1,0|2,0,0]=4 1481 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,1,0|2,0,0]=4 1482 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,1,0|2,0,0]=4 1483 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,1,0|2,0,0]=4 1484 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,1,0|2,0,0]=4 1485 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,1,0|2,0,0]=4 1486 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,1,0|2,0,0]=4 1487 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,1,0|2,0,0]=4 1488 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,1,0|2,0,0]=4 1489 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,1,0,0,1,0|2,0,0]=4 1490 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 1491 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 1492 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 1493 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,1,0,0,1,0|2,0,0]=4 1494 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 1495 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 1496 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 1497 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,1,0,0,1,0|2,0,0]=4 1498 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,1,0,0,1,0|2,0,0]=4 1499 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,1,0,0,1,0|2,0,0]=4 1500 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,1,0|2,0,0]=4 1501 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,1,0|2,0,0]=4 1502 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,1,0|2,0,0]=4 1503 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [0,1,0,0,1,0|2,0,0]=4 1504 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,1,0,0,1,0|2,0,0]=4 1505 B10R1.27 O=C(CF)Cn1cccc1 1458a_100011196272_100015361967 [0,1,0,0,1,0|2,0,0]=4 1506 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,1,0,0,1,0|2,0,0]=4 1507 B10R1.27 O=C(CO)Cc1ccn[nH]1 1458a_100000210174_100000728653 [0,1,0,0,1,0|2,0,0]=4 1508 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,1,0,0,1,0|2,0,0]=4 1509 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,1,0|1,0,0]=3 1510 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,1,0,0,1,0|2,0,0]=4 1511 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,1,0,0,1,0|2,0,0]=4 1512 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,1,0|2,0,0]=4 1513 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,1,0|2,0,0]=4 1514 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,1,0|2,0,0]=4 1515 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,1,0|2,0,0]=4 1516 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,1,0|2,0,0]=4 1517 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,1,0|2,0,0]=4 1518 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,1,0|2,0,0]=4 1519 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,1,0|2,0,0]=4 1520 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,1,0|2,0,0]=4 1521 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,1,0|2,0,0]=4 1522 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,1,0|2,0,0]=4 1523 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,1,0|2,0,0]=4 1524 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,1,0|2,0,0]=4 1525 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,1,0,0,0,1|2,0,0]=4 1535 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,1,0,0,0,1|2,0,0]=4 1541 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,1,0,0,0,1|2,0,0]=4 1542 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,1,0,0,0,1|2,0,0]=4 1543 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,1,0,0,0,1|2,0,0]=4 1545 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.21 C=C(F)CNc1ccc(cc1)Br 2230a_100000210018_100009893438 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.21 C=C(F)CNc1ccc(cc1)Br 34a_100000210018_100009893438 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,1,0,0,0,1|2,0,0]=4 1567 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,1,0,0,0,1|2,0,0]=4 1568 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,1,0,0,0,1|2,0,0]=4 1569 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,1,0,0,0,1|2,0,0]=4 1570 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,1,0,0,0,1|2,0,0]=4 1571 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,1,0,0,0,1|2,0,0]=4 1572 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000042424_100000752885 [0,1,0,0,0,1|2,0,0]=4 1573 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000752885_100000042424 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000042424_100000186775 [0,1,0,0,0,1|2,0,0]=4 1575 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000186775_100000042424 [0,1,0,0,0,1|2,0,0]=4 1576 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,1,0,0,0,1|2,0,0]=4 1578 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [0,1,0,0,0,1|2,0,0]=4 1579 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [0,1,0,0,0,1|2,0,0]=4 1580 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000042424_100000185761 [0,1,0,0,0,1|2,0,0]=4 1581 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000185761_100000042424 [0,1,0,0,0,1|2,0,0]=4 1582 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,1,0,0,0,1|1,0,1]=4 1584 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,1,0,0,0,1|1,0,1]=4 1585 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,1,0,0,0,1|1,0,1]=4 1586 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,1,0,0,0,1|1,0,1]=4 1587 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,1,0,0,0,1|1,0,1]=4 1588 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,1,0,0,0,1|1,0,1]=4 1589 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,1,0,0,0,1|1,0,1]=4 1590 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,1,0,0,0,1|1,0,1]=4 1591 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,1,0,0,0,1|1,0,1]=4 1592 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,1|1,0,0]=3 1593 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,1|1,0,0]=3 1594 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,1|1,0,0]=3 1595 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,1|1,0,0]=3 1596 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,1|1,0,0]=3 1597 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,1|1,0,0]=3 1598 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,1|1,0,0]=3 1599 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,1|1,0,0]=3 1600 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,1|1,0,0]=3 1601 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,1|1,0,0]=3 1602 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,1|1,0,0]=3 1603 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,1|1,0,0]=3 1604 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,1|1,0,0]=3 1605 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,1|1,0,0]=3 1606 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,1|1,0,0]=3 1607 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,1|1,0,0]=3 1608 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,1|1,0,0]=3 1609 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,1|1,0,0]=3 1610 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,1|1,0,0]=3 1611 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,1|1,0,0]=3 1612 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,1|1,0,0]=3 1613 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,1|1,0,0]=3 1614 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,1|1,0,0]=3 1615 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,1|1,0,0]=3 1616 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,1|1,0,0]=3 1617 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,1|1,0,0]=3 1618 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,1|1,0,0]=3 1619 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,1|1,0,0]=3 1620 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,1|1,0,0]=3 1621 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,1|1,0,0]=3 1622 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,1|1,0,0]=3 1623 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,1|1,0,0]=3 1624 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,1|1,0,0]=3 1625 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,1|1,0,0]=3 1626 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,1|1,0,0]=3 1627 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,1|1,0,0]=3 1628 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,1|1,0,0]=3 1629 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,1|1,0,0]=3 1630 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,1|1,0,0]=3 1631 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,1|1,0,0]=3 1632 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,1|1,0,0]=3 1633 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,1|1,0,0]=3 1634 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,1|1,0,0]=3 1635 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,1|1,0,0]=3 1636 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,1|1,0,0]=3 1637 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1638 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1639 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,1,0,0,0,1|2,0,0]=4 1641 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1643 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1644 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,1,0,0,0,1|2,0,0]=4 1645 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1646 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1647 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,1,0,0,0,1|2,0,0]=4 1653 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1663 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,1,0,0,0,1|1,0,1]=4 1678 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,1,0,0,0,1|1,0,1]=4 1679 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,1,0,0,0,1|1,0,1]=4 1680 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,1,0,0,0,1|1,0,1]=4 1681 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,1,0,0,0,1|1,0,1]=4 1682 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,1,0,0,0,1|1,0,1]=4 1683 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,1,0,0,0,1|1,0,1]=4 1684 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,1,0,0,0,1|1,0,1]=4 1685 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,1,0,0,0,1|1,0,1]=4 1686 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,1,0,0,0,1|1,0,1]=4 1687 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,1,0,0,0,1|1,0,1]=4 1688 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,1,0,0,0,1|1,0,1]=4 1689 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,1,0,0,0,1|1,0,1]=4 1690 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,1,0,0,0,1|1,0,1]=4 1691 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,1,0,0,0,1|1,0,1]=4 1692 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,1,0,0,0,1|1,0,1]=4 1693 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,1,0,0,0,1|1,0,1]=4 1694 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,1,0,0,0,1|1,0,1]=4 1695 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,1,0,0,0,1|1,0,1]=4 1696 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,1,0,0,0,1|1,0,1]=4 1697 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,1,0,0,0,1|1,0,1]=4 1698 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,1,0,0,0,1|1,0,1]=4 1699 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,1,0,0,0,1|1,0,1]=4 1700 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,1,0,0,0,1|1,0,1]=4 1701 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,1,0,0,0,1|1,0,1]=4 1702 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,1,0,0,0,1|1,0,1]=4 1703 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,1,0,0,0,1|1,0,1]=4 1704 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,1,0,0,0,1|1,0,1]=4 1705 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,1,0,0,0,1|1,0,1]=4 1706 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,1,0,0,0,1|1,0,1]=4 1707 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,1,0,0,0,1|1,0,1]=4 1708 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,1,0,0,0,1|1,0,1]=4 1709 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,1,0,0,0,1|1,0,1]=4 1710 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,1,0,0,0,1|1,0,1]=4 1711 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,1,0,0,0,1|1,0,1]=4 1712 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,1,0,0,0,1|1,0,1]=4 1713 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,1,0,0,0,1|1,0,1]=4 1714 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,1,0,0,0,1|1,0,1]=4 1715 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,1,0,0,0,1|1,0,1]=4 1716 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,1,0,0,0,1|1,0,1]=4 1717 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,1,0,0,0,1|1,0,1]=4 1718 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,1,0,0,0,1|1,0,1]=4 1719 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,1,0,0,0,1|1,0,1]=4 1720 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,1,0,0,0,1|1,0,1]=4 1721 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,1,0,0,0,1|1,0,1]=4 1722 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,1,0,0,0,1|1,0,1]=4 1723 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,1,0,0,0,1|1,0,1]=4 1724 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,1,0,0,0,1|1,0,1]=4 1725 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,1,0,0,0,1|1,0,1]=4 1726 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,1|1,0,0]=3 1727 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,0,1|1,0,0]=3 1728 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,0,1|0,0,1]=3 1729 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,1,0,0,0,1|1,0,1]=4 1730 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,1,0,0,0,1|1,0,1]=4 1731 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000124888_100000761209 [0,1,0,0,0,1|1,0,1]=4 1732 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,0,1|1,0,0]=3 1733 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,0,1|1,0,0]=3 1734 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,1|1,0,0]=3 1735 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,1|0,0,1]=3 1736 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,1,0,0,0,1|1,0,1]=4 1737 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,1,0,0,0,1|1,0,1]=4 1738 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,1,0,0,0,1|1,0,1]=4 1739 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,1,0,0,0,1|1,0,1]=4 1740 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,1,0,0,0,1|1,0,1]=4 1741 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,0,1|1,0,0]=3 1742 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,0,1|1,0,0]=3 1743 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,1|1,0,0]=3 1744 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,0,1|0,0,1]=3 1745 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,0,1|0,0,1]=3 1746 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,1,0,0,0,1|1,0,1]=4 1747 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,1,0,0,0,1|1,0,1]=4 1748 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,1,0,0,0,1|1,0,1]=4 1749 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,1,0,0,0,1|1,0,1]=4 1750 B12R1.21 Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000186775_100000761209 [0,1,0,0,0,1|1,0,1]=4 1751 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,1,0,0,0,1|1,0,1]=4 1754 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000747473_100000751577 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000751577_100000747473 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100000751577_100020667443 [0,1,0,0,0,1|1,0,1]=4 1757 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000751577 [0,1,0,0,0,1|1,0,1]=4 1758 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,1,0,0,0,1|1,0,1]=4 1760 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100000747473_100000754016 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100011192072_100000747473 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100011192072_100020667443 [0,1,0,0,0,1|1,0,1]=4 1763 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000754016 [0,1,0,0,0,1|1,0,1]=4 1764 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,1|1,0,0]=3 1765 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,0,1|1,0,0]=3 1766 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,0,1|1,0,0]=3 1767 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,0,1|1,0,0]=3 1768 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,0,1|1,0,0]=3 1769 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,0,1|1,0,0]=3 1770 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,0,1|1,0,0]=3 1771 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,0,1|1,0,0]=3 1772 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,0,1|1,0,0]=3 1774 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,0,1|1,0,0]=3 1775 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,0,1|1,0,0]=3 1776 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,0,1|1,0,0]=3 1777 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,0,1|1,0,0]=3 1778 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,0,1|1,0,0]=3 1779 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,0,1|1,0,0]=3 1780 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,0,1|1,0,0]=3 1781 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.21 NC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747473_100000039755 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747473 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000747473_100000212171 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,0,1|1,0,0]=3 1798 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,0,1|1,0,0]=3 1799 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,0,1|1,0,0]=3 1800 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,0,1|1,0,0]=3 1801 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,0,1|1,0,0]=3 1802 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,0,1|1,0,0]=3 1803 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,0,1|1,0,0]=3 1804 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,0,1|1,0,0]=3 1805 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,0,1|1,0,0]=3 1806 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,0,1|1,0,0]=3 1807 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747473 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000747473_100000686858 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100000747473_100011356976 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747473 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747473 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000747473_100000744514 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747473 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000747473_100000737798 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100000747473_100009814638 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747473 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747473 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000747473_100000034144 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747473 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000747473_100000042367 [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747473 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000747473_100000187370 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,1|0,0,1]=3 1826 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,1,0,0,0,1|1,0,1]=4 1827 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,0,1|0,0,1]=3 1828 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,0,1|0,0,1]=3 1829 B12R1.21 Nc1ccc(cc1)SC[N+](=O)[O-] 62a_100000185761_100000761209 [0,1,0,0,0,1|1,0,1]=4 1830 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,1,0,0,0,1|1,0,1]=4 1831 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100000187370_100020667443 [0,1,0,0,0,1|1,0,1]=4 1832 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000187370 [0,1,0,0,0,1|1,0,1]=4 1833 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,1,0,0,0,1|1,0,1]=4 1834 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100000737798_100020667443 [0,1,0,0,0,1|1,0,1]=4 1835 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000737798 [0,1,0,0,0,1|1,0,1]=4 1836 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,0,1|0,0,1]=3 1837 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,1|0,0,1]=3 1838 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,0,1|0,0,1]=3 1839 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,0,1|0,0,1]=3 1840 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,0,1|0,0,1]=3 1841 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,1,0,0,0,1|1,0,1]=4 1842 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,1|0,0,1]=3 1843 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,1|0,0,1]=3 1844 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,1|0,0,1]=3 1845 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,1|0,0,1]=3 1846 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,1,0,0,0,1|1,0,1]=4 1847 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,1,0,0,0,1|1,0,1]=4 1848 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,1,0,0,0,1|1,0,1]=4 1849 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,1,0,0,0,1|1,0,1]=4 1850 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,1,0,0,0,1|1,0,1]=4 1851 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,1,0,0,0,1|1,0,1]=4 1852 B12R1.21 O=C([O-])CSc1cc[n+](cc1)[O-] 62a_100020667443_100000039755 [0,1,0,0,0,1|1,0,1]=4 1853 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100000212171_100020667443 [0,1,0,0,0,1|1,0,1]=4 1854 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100020667443_100000212171 [0,1,0,0,0,1|1,0,1]=4 1855 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,0,1|0,0,1]=3 1856 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,0,1|0,0,1]=3 1857 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,1|0,0,1]=3 1858 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,1|0,0,1]=3 1859 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,0,1|0,0,1]=3 1860 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,0,1|0,0,1]=3 1861 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,0,1|0,0,1]=3 1862 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100000686858_100020667443 [0,1,0,0,0,1|1,0,1]=4 1863 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100020667443_100000686858 [0,1,0,0,0,1|1,0,1]=4 1864 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100011356976_100020667443 [0,1,0,0,0,1|1,0,1]=4 1865 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100020667443_100011356976 [0,1,0,0,0,1|1,0,1]=4 1866 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100000744514_100020667443 [0,1,0,0,0,1|1,0,1]=4 1867 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100020667443_100000744514 [0,1,0,0,0,1|1,0,1]=4 1868 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,1,0,0,0,1|1,0,1]=4 1869 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,1,0,0,0,1|1,0,1]=4 1870 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100009814638_100020667443 [0,1,0,0,0,1|1,0,1]=4 1871 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100020667443_100009814638 [0,1,0,0,0,1|1,0,1]=4 1872 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100000034144_100020667443 [0,1,0,0,0,1|1,0,1]=4 1873 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100020667443_100000034144 [0,1,0,0,0,1|1,0,1]=4 1874 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100000042367_100020667443 [0,1,0,0,0,1|1,0,1]=4 1875 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100020667443_100000042367 [0,1,0,0,0,1|1,0,1]=4 1876 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Br 34a_100000210018_100000761209 [0,1,0,0,0,1|1,0,1]=4 1877 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 34a_100000210052_100000761209 [0,1,0,0,0,1|1,0,1]=4 1878 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)F 34a_100000185862_100000761209 [0,1,0,0,0,1|1,0,1]=4 1879 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 34a_100000185761_100000761209 [0,1,0,0,0,1|1,0,1]=4 1880 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,1,0,0,0,1|1,0,1]=4 1881 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,1,0,0,0,1|1,0,1]=4 1882 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,1,0,0,0,1|1,0,1]=4 1883 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,1,0,0,0,1|1,0,1]=4 1884 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,1,0,0,0,1|1,0,1]=4 1885 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Br 62a_100000752885_100000761209 [0,1,0,0,0,1|1,0,1]=4 1886 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Cl 62a_100000755918_100000761209 [0,1,0,0,0,1|1,0,1]=4 1887 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)F 62a_100000211213_100000761209 [0,1,0,0,0,1|1,0,1]=4 1888 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,1,0,0,0,1|1,0,1]=4 1889 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,1,0,0,0,1|1,0,1]=4 1890 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,1,0,0,0,1|1,0,1]=4 1891 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,1,0,0,0,1|1,0,1]=4 1892 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,1,0,0,0,1|1,0,1]=4 1893 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,1,0,0,0,1|1,0,1]=4 1894 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,1,0,0,0,1|1,0,1]=4 1895 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,1|1,0,0]=3 1896 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,1|1,0,0]=3 1897 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,1|1,0,0]=3 1898 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,1|1,0,0]=3 1899 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,1|1,0,0]=3 1900 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,1|1,0,0]=3 1901 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,1|1,0,0]=3 1902 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,1|1,0,0]=3 1903 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,1|1,0,0]=3 1904 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,1|1,0,0]=3 1905 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,1|1,0,0]=3 1906 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,1|1,0,0]=3 1907 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,1|1,0,0]=3 1908 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,1|1,0,0]=3 1909 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.27 C#CC(=O)CCc1ccncc1 1458a_100000211873_100000723409 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,1,0,0,0,1|2,0,0]=4 1913 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,1|1,0,0]=3 1916 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,1,0,0,0,1|1,0,0]=3 1920 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,1,0,0,0,1|1,0,0]=3 1921 B12R1.27 C=CC(=O)NCc1ccccn1 1626a_100000210449_100000185746 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.27 C=CC(=O)NCc1ccccn1 240690a_100000210449_200121576911 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.27 C=CC(=O)NCc1cccnc1 240690a_100000210453_200121576911 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.27 C=CC(=O)NCc1ccncc1 1626a_100000210450_100000185746 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.27 C=CC(=O)NCc1ccncc1 240690a_100000210450_200121576911 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,1,0,0,0,1|1,0,1]=4 1928 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,1,0,0,0,1|1,0,1]=4 1929 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,1,0,0,0,1|1,0,1]=4 1930 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,1,0,0,0,1|1,0,1]=4 1931 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,1,0,0,0,1|1,0,1]=4 1932 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,1,0,0,0,1|1,0,1]=4 1934 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,1,0,0,0,1|1,0,1]=4 1935 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,1,0,0,0,1|1,0,1]=4 1936 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,1,0,0,0,1|1,0,1]=4 1937 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,1,0,0,0,1|1,0,1]=4 1938 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,1,0,0,0,1|1,0,1]=4 1939 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,1,0,0,0,1|1,0,1]=4 1940 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,1,0,0,0,1|1,0,1]=4 1941 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,1,0,0,0,1|1,0,1]=4 1942 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,1|1,0,0]=3 1943 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,1|1,0,0]=3 1944 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,1|1,0,0]=3 1951 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,1|1,0,0]=3 1952 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,1|1,0,0]=3 1956 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,1|1,0,0]=3 1957 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,1|1,0,0]=3 1958 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 1967 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 1968 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 1969 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 1970 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1973 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 1975 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 1976 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1978 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1979 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1981 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,0,0,1|1,0,1]=4 1983 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,1|1,0,1]=4 1984 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,1|1,0,1]=4 1985 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,0,0,1|1,0,1]=4 1986 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,0,0,1|1,0,1]=4 1987 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,1,0,0,0,1|1,0,1]=4 1988 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,1,0,0,0,1|1,0,1]=4 1989 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,1,0,0,0,1|1,0,1]=4 1990 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,1|1,0,0]=3 1991 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 1992 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 1993 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 1994 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 2001 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,1,0,0,0,1|2,0,0]=4 2004 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,1|1,0,0]=3 2005 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,1|1,0,0]=3 2006 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,1|1,0,0]=3 2007 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,1|1,0,0]=3 2008 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,1|1,0,0]=3 2009 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,1|1,0,0]=3 2010 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,1|1,0,0]=3 2011 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,1,0,0,0,1|2,0,0]=4 2012 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,1,0,0,0,1|2,0,0]=4 2014 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,1,0,0,0,1|2,0,0]=4 2017 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,1,0,0,0,1|2,0,0]=4 2018 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,1,0,0,0,1|2,0,0]=4 2019 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,1,0,0,0,1|2,0,0]=4 2020 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,1,0,0,0,1|2,0,0]=4 2021 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,1|1,0,0]=3 2022 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,1|1,0,0]=3 2023 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,1|1,0,0]=3 2024 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,1|1,0,0]=3 2025 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,1|1,0,0]=3 2026 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,1|1,0,0]=3 2027 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,1,0,0,0,1|2,0,0]=4 2039 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,1,0,0,0,1|2,0,0]=4 2040 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,1|1,0,0]=3 2041 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,1|1,0,0]=3 2042 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,1|1,0,0]=3 2043 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,1|1,0,0]=3 2044 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,1|1,0,0]=3 2045 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,1|1,0,0]=3 2046 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 2050 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,1,0,0,0,1|2,0,0]=4 2052 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 2053 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 2054 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 2055 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 2056 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,1,0,0,0,1|2,0,0]=4 2057 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,1,0,0,0,1|2,0,0]=4 2058 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 2059 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,1,0,0,0,1|2,0,0]=4 2060 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 2061 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,1,0,0,0,1|2,0,0]=4 2062 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,1,0,0,0,1|2,0,0]=4 2063 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,1,0,0,0,1|2,0,0]=4 2064 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,1|0,0,0]=2 2065 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,1|0,0,0]=2 2066 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,1|0,0,0]=2 2067 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,1|1,0,0]=3 2068 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,1|1,0,0]=3 2069 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,1,0,0,0,1|1,0,0]=3 2070 B12R1.27 COC(=O)COc1ccnnc1 34a_100015204005_100000747449 [0,1,0,0,0,1|2,0,0]=4 2071 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,1,0,0,0,1|2,0,0]=4 2072 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,1|0,0,0]=2 2073 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,1|0,0,0]=2 2074 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,1|1,0,0]=3 2075 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,1|1,0,0]=3 2076 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,1|1,0,0]=3 2077 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,1|1,0,0]=3 2078 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,1,0,0,0,1|2,0,0]=4 2079 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,1,0,0,0,1|2,0,0]=4 2080 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,1,0,0,0,1|1,0,0]=3 2081 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,1,0,0,0,1|1,0,0]=3 2082 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,1,0,0,0,1|2,0,0]=4 2083 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,1,0,0,0,1|2,0,0]=4 2084 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000732662_100000747449 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000747449_100000732662 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,1,0,0,0,1|2,0,0]=4 2087 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,1,0,0,0,1|2,0,0]=4 2088 B12R1.27 COC(=O)CSc1cncnc1 62a_100000747449_100011206942 [0,1,0,0,0,1|2,0,0]=4 2089 B12R1.27 COC(=O)CSc1cncnc1 62a_100011206942_100000747449 [0,1,0,0,0,1|2,0,0]=4 2090 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,1,0,0,0,1|2,0,0]=4 2091 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,1,0,0,0,1|2,0,0]=4 2092 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,1,0,0,0,1|1,0,1]=4 2093 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,1,0,0,0,1|1,0,1]=4 2094 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,1,0,0,0,1|1,0,1]=4 2095 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,1,0,0,0,1|1,0,1]=4 2096 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,1|1,0,1]=4 2097 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,1|1,0,1]=4 2098 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,1|1,0,1]=4 2099 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,1|1,0,1]=4 2100 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,1,0,0,0,1|1,0,1]=4 2101 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,1,0,0,0,1|1,0,1]=4 2102 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,1,0,0,0,1|1,0,1]=4 2103 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,1,0,0,0,1|1,0,1]=4 2104 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,1,0,0,0,1|1,0,1]=4 2105 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,1,0,0,0,1|1,0,1]=4 2106 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,1,0,0,0,1|1,0,1]=4 2107 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,1,0,0,0,1|1,0,1]=4 2108 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,1,0,0,0,1|1,0,1]=4 2109 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,1,0,0,0,1|1,0,1]=4 2110 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,1,0,0,0,1|1,0,1]=4 2111 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,1,0,0,0,1|1,0,1]=4 2112 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,1|1,0,0]=3 2113 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,1|2,0,0]=4 2114 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,1|1,0,0]=3 2117 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,1,0,0,0,1|2,0,0]=4 2118 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,1,0,0,0,1|2,0,0]=4 2119 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,1|1,0,0]=3 2120 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,1,0,0,0,1|2,0,0]=4 2121 B12R1.27 O=C(CF)CSc1ccncc1 1458a_100000211328_100015361967 [0,1,0,0,0,1|2,0,0]=4 2122 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,1|0,0,0]=2 2123 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,1|1,0,0]=3 2124 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,1|1,0,0]=3 2125 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,1|1,0,0]=3 2126 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,1|0,0,0]=2 2127 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,1|0,0,0]=2 2128 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,1|1,0,0]=3 2129 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,1|1,0,0]=3 2130 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,1|1,0,0]=3 2131 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,1|1,0,0]=3 2132 B12R1.27 O=C(CO)NCc1cccnn1 240690a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.27 O=C(CO)NCc1cccnn1 527a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 2134 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,1|1,0,0]=3 2135 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,1|1,0,0]=3 2136 B12R1.27 O=C(CO)NCc1ccncn1 240690a_100000736019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2137 B12R1.27 O=C(CO)NCc1ccncn1 527a_100000736019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2138 B12R1.27 O=C(CO)NCc1cnccn1 240690a_100000737960_100000210174 [0,1,0,0,0,1|2,0,0]=4 2139 B12R1.27 O=C(CO)NCc1cnccn1 527a_100000737960_100000210174 [0,1,0,0,0,1|2,0,0]=4 2140 B12R1.27 O=C(CO)NCc1cncnc1 240690a_100011243677_100000210174 [0,1,0,0,0,1|2,0,0]=4 2141 B12R1.27 O=C(CO)NCc1cncnc1 527a_100011243677_100000210174 [0,1,0,0,0,1|2,0,0]=4 2142 B12R1.27 O=C(CO)NCc1ncccn1 240690a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 2143 B12R1.27 O=C(CO)NCc1ncccn1 527a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 2144 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,1,0,0,0,1|1,0,0]=3 2145 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,1,0,0,0,1|2,0,0]=4 2146 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,1,0,0,0,1|2,0,0]=4 2147 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,1,0,0,0,1|2,0,0]=4 2148 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,1,0,0,0,1|0,0,2]=4 2149 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,1,0,0,0,1|0,0,2]=4 2150 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,1,0,0,0,1|0,0,2]=4 2151 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,1,0,0,0,1|0,0,2]=4 2152 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,1,0,0,0,1|0,0,2]=4 2153 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,1,0,0,0,1|0,0,2]=4 2154 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,1,0,0,0,1|0,0,2]=4 2155 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,1,0,0,0,1|0,0,2]=4 2156 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,1,0,0,0,1|0,0,2]=4 2157 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,1,0,0,0,1|0,0,2]=4 2158 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,1,0,0,0,1|1,0,1]=4 2159 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,1,0,0,0,1|1,0,1]=4 2160 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,1,0,0,0,1|1,0,1]=4 2161 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,1,0,0,0,1|1,0,1]=4 2162 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,1,0,0,0,1|1,0,1]=4 2163 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,1|1,0,1]=4 2164 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,1|2,0,0]=4 2165 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,1|1,0,1]=4 2166 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,1|1,0,1]=4 2167 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,1|1,0,1]=4 2168 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|1,0,1]=4 2169 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,1|1,0,0]=3 2170 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,1|1,0,0]=3 2171 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|2,0,0]=4 2172 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,1|1,0,0]=3 2173 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,1|1,0,0]=3 2174 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,0,1|2,0,0]=4 2175 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,1|1,0,0]=3 2176 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,1|1,0,0]=3 2177 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,1|1,0,0]=3 2178 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,1|2,0,0]=4 2179 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,1|2,0,0]=4 2180 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,1|2,0,0]=4 2181 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,1,0,0,0,1|2,0,0]=4 2182 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,1,0,0,0,1|2,0,0]=4 2183 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,1,0,0,0,1|2,0,0]=4 2184 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,1,0,0,0,1|2,0,0]=4 2185 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 2186 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 2187 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 2188 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,1|1,0,0]=3 2189 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 2190 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 2191 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,1|2,0,0]=4 2192 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 2194 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,1,0,0,0,1|2,0,0]=4 2195 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 2196 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 2197 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,1,0,0,0,1|2,0,0]=4 2198 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|1,0,0]=3 2199 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,1|1,0,0]=3 2200 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,1|1,0,0]=3 2202 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,1|1,0,0]=3 2203 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,1|1,0,0]=3 2204 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,1|1,0,0]=3 2205 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,1,0,0,0,1|2,0,0]=4 2206 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,1,0,0,0,1|2,0,0]=4 2207 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,1,0,0,0,1|2,0,0]=4 2208 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,1|1,0,0]=3 2209 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,1|1,0,0]=3 2210 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,1|1,0,0]=3 2211 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,1,0,0,0,1|2,0,0]=4 2212 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,1,0,0,0,1|2,0,0]=4 2213 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,1|2,0,0]=4 2214 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [0,1,0,0,0,1|2,0,0]=4 2215 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [0,1,0,0,0,1|2,0,0]=4 2216 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [0,1,0,0,0,1|2,0,0]=4 2217 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [0,1,0,0,0,1|2,0,0]=4 2218 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,1|1,0,1]=4 2219 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,1|1,0,1]=4 2220 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,1|1,0,1]=4 2221 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,1|1,0,0]=3 2222 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,1|1,0,0]=3 2223 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,1|1,0,0]=3 2224 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,1,0,0,0,1|2,0,0]=4 2225 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,1,0,0,0,1|2,0,0]=4 2226 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,1,0,0,0,1|2,0,0]=4 2227 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,1|1,0,0]=3 2228 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,1|1,0,0]=3 2229 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100009813875_100011216584 [0,1,0,0,0,1|2,0,0]=4 2230 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813875 [0,1,0,0,0,1|2,0,0]=4 2231 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100000210063_100009813875 [0,1,0,0,0,1|2,0,0]=4 2232 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100009813875_100000210063 [0,1,0,0,0,1|2,0,0]=4 2233 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100000728582_100009813875 [0,1,0,0,0,1|2,0,0]=4 2234 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100009813875_100000728582 [0,1,0,0,0,1|2,0,0]=4 2235 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,1|0,0,2]=4 2236 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,1|0,0,1]=3 2237 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,1|0,0,1]=3 2238 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,1,0,0,0,1|1,0,1]=4 2239 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,1,0,0,0,1|1,0,1]=4 2240 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,1|0,0,1]=3 2241 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,1|0,0,1]=3 2242 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100011216584_100020610796 [0,1,0,0,0,1|1,0,1]=4 2243 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100020610796_100011216584 [0,1,0,0,0,1|1,0,1]=4 2244 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100000210063_100020610796 [0,1,0,0,0,1|1,0,1]=4 2245 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100020610796_100000210063 [0,1,0,0,0,1|1,0,1]=4 2246 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100000728582_100020610796 [0,1,0,0,0,1|1,0,1]=4 2247 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100020610796_100000728582 [0,1,0,0,0,1|1,0,1]=4 2248 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,1|1,0,1]=4 2249 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,1|1,0,1]=4 2250 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|1,0,1]=4 2251 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|1,0,0]=3 2252 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,1|2,0,0]=4 2253 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,1,0,0,0,1|2,0,0]=4 2254 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,1,0,0,0,1|2,0,0]=4 2255 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,1,0,0,0,1|2,0,0]=4 2256 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,1,0,0,0,1|2,0,0]=4 2257 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,1,0,0,0,1|2,0,0]=4 2258 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,1,0,0,0,1|2,0,0]=4 2259 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,1,0,0,0,1|2,0,0]=4 2260 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,1|1,0,1]=4 2261 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,1|1,0,1]=4 2262 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,1|1,0,0]=3 2263 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,1|2,0,0]=4 2264 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,1|2,0,0]=4 2266 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,1|1,0,0]=3 2267 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,1|1,0,0]=3 2268 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,1|1,0,0]=3 2269 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,1|1,0,0]=3 2270 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,1|1,0,0]=3 2271 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,1|1,0,0]=3 2272 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2273 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2274 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2275 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,0,1|2,0,0]=4 2276 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 2277 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 2278 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,1,0,0,0,1|2,0,0]=4 2279 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,1,0,0,0,1|2,0,0]=4 2280 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,1,0,0,0,1|2,0,0]=4 2281 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,1|1,0,0]=3 2282 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,1|1,0,0]=3 2283 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,1|1,0,0]=3 2284 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,1|1,0,0]=3 2285 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,1|1,0,0]=3 2286 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,1|1,0,1]=4 2287 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,1,0,0,0,1|1,0,1]=4 2288 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,1,0,0,0,1|1,0,1]=4 2289 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,1,0,0,0,1|1,0,1]=4 2290 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,0,1|1,0,0]=3 2291 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,0,1|1,0,0]=3 2292 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,0,1|1,0,0]=3 2293 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,0,1|1,0,0]=3 2294 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,0,1|1,0,0]=3 2295 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,1|0,0,0]=2 2296 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,1|1,0,0]=3 2297 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,1|0,0,1]=3 2298 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,1|0,0,1]=3 2299 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 269982a_100000210012_100000761209 [0,1,0,0,0,1|1,0,1]=4 2300 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 34a_100000210012_100000761209 [0,1,0,0,0,1|1,0,1]=4 2301 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,1,0,0,0,1|1,0,1]=4 2302 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,1,0,0,0,1|1,0,1]=4 2303 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,1,0,0,0,1|1,0,1]=4 2304 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,0,1|1,0,0]=3 2305 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,1,0,0,0,1|1,0,1]=4 2306 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,1|0,0,1]=3 2307 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,1|1,0,0]=3 2308 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,0,1|1,0,0]=3 2309 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,0,1|1,0,0]=3 2310 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,1|0,0,0]=2 2311 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,1,0,0,0,1|2,0,0]=4 2312 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,1,0,0,0,1|2,0,0]=4 2313 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,1,0,0,0,1|2,0,0]=4 2314 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,1,0,0,0,1|2,0,0]=4 2315 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,1,0,0,0,1|2,0,0]=4 2316 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,1,0,0,0,1|2,0,0]=4 2317 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,1,0,0,0,1|2,0,0]=4 2318 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,1,0,0,0,1|2,0,0]=4 2319 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,1,0,0,0,1|2,0,0]=4 2320 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,1,0,0,0,1|2,0,0]=4 2321 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,1,0,0,0,1|2,0,0]=4 2322 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,1,0,0,0,1|2,0,0]=4 2323 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,1,0,0,0,1|2,0,0]=4 2324 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,1,0,0,0,1|2,0,0]=4 2325 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,1,0,0,0,1|2,0,0]=4 2326 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,1,0,0,0,1|2,0,0]=4 2327 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,1,0,0,0,1|2,0,0]=4 2328 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,1,0,0,0,1|2,0,0]=4 2329 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,1,0,0,0,1|2,0,0]=4 2330 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,1,0,0,0,1|2,0,0]=4 2331 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,1,0,0,0,1|2,0,0]=4 2332 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,1,0,0,0,1|2,0,0]=4 2333 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,1,0,0,0,1|2,0,0]=4 2334 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,1,0,0,0,1|2,0,0]=4 2335 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,1,0,0,0,1|2,0,0]=4 2336 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,1,0,0,0,1|2,0,0]=4 2337 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,1,0,0,0,1|2,0,0]=4 2338 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,1,0,0,0,1|2,0,0]=4 2339 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,1,0,0,0,1|2,0,0]=4 2340 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,1,0,0,0,1|2,0,0]=4 2341 B12R1.125 C=C(F)CNc1ccccc1Br 34a_100000210017_100009893438 [0,1,0,0,0,1|2,0,0]=4 2342 B12R1.125 C=C(F)CNc1ccccc1C 34a_100015192222_100009893438 [0,1,0,0,0,1|2,0,0]=4 2343 B12R1.125 C=C(F)CNc1ccccc1Cl 34a_100000185783_100009893438 [0,1,0,0,0,1|2,0,0]=4 2344 B12R1.125 C=C(F)CNc1ccccc1F 34a_100000210422_100009893438 [0,1,0,0,0,1|2,0,0]=4 2345 B12R1.125 C=C(F)CNc1ccccc1I 34a_100000210053_100009893438 [0,1,0,0,0,1|2,0,0]=4 2346 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,1,0,0,0,1|2,0,0]=4 2347 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [0,1,0,0,0,1|2,0,0]=4 2348 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [0,1,0,0,0,1|2,0,0]=4 2349 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,1,0,0,0,1|2,0,0]=4 2350 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,1,0,0,0,1|2,0,0]=4 2351 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,1,0,0,0,1|2,0,0]=4 2352 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,1,0,0,0,1|2,0,0]=4 2353 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [0,1,0,0,0,1|2,0,0]=4 2354 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [0,1,0,0,0,1|2,0,0]=4 2355 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [0,1,0,0,0,1|2,0,0]=4 2356 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [0,1,0,0,0,1|2,0,0]=4 2357 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000042424_100000695589 [0,1,0,0,0,1|2,0,0]=4 2360 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000695589_100000042424 [0,1,0,0,0,1|2,0,0]=4 2361 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000042424_100000210755 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000210755_100000042424 [0,1,0,0,0,1|2,0,0]=4 2363 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000042424_100000764095 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000764095_100000042424 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.125 C=C(F)CSc1ccccc1F 62a_100000042424_100011215700 [0,1,0,0,0,1|2,0,0]=4 2366 B12R1.125 C=C(F)CSc1ccccc1F 62a_100011215700_100000042424 [0,1,0,0,0,1|2,0,0]=4 2367 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000042424_100000210017 [0,1,0,0,0,1|2,0,0]=4 2368 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000210017_100000042424 [0,1,0,0,0,1|2,0,0]=4 2369 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,1,0,0,0,1|1,0,1]=4 2372 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,0,0,0,1|1,0,1]=4 2373 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,0,0,0,1|1,0,1]=4 2374 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,0,0,0,1|1,0,1]=4 2375 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,0,0,0,1|1,0,1]=4 2376 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,1|1,0,0]=3 2377 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,1|1,0,0]=3 2378 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,1|1,0,0]=3 2379 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,1|1,0,0]=3 2380 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,1|1,0,0]=3 2381 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,1|1,0,0]=3 2382 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,1|1,0,0]=3 2383 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,1|1,0,0]=3 2384 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,1|1,0,0]=3 2385 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,1|1,0,0]=3 2386 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,1|1,0,0]=3 2387 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,0,1|2,0,0]=4 2388 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,1|1,0,0]=3 2389 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,1|1,0,0]=3 2390 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,1|1,0,0]=3 2391 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,1|1,0,0]=3 2392 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,1|1,0,0]=3 2393 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,1|1,0,0]=3 2394 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,1|1,0,0]=3 2395 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,1|1,0,0]=3 2396 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,1|1,0,0]=3 2397 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,1|1,0,0]=3 2398 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,1|1,0,0]=3 2399 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,1|1,0,0]=3 2400 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,1|1,0,0]=3 2401 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,1|1,0,0]=3 2402 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,1|1,0,0]=3 2403 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,1|1,0,0]=3 2404 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,1|1,0,0]=3 2405 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,1|1,0,0]=3 2406 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,1|1,0,0]=3 2407 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,1|1,0,0]=3 2408 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,1|1,0,0]=3 2409 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,1|1,0,0]=3 2410 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,1|1,0,0]=3 2411 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,1|1,0,0]=3 2412 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2413 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2414 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2415 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,1|1,0,0]=3 2416 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,1|1,0,0]=3 2417 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,1|1,0,0]=3 2418 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,1|1,0,0]=3 2419 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 2420 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 2421 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [0,1,0,0,0,1|2,0,0]=4 2422 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 2423 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 2424 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 2425 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,1,0,0,0,1|2,0,0]=4 2426 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 2427 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 2429 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.125 CC(=O)NCc1ccncc1Br 11a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 2431 B12R1.125 CC(=O)NCc1ccncc1Br 240690a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 2432 B12R1.125 CC(=O)NCc1ccncc1Br 527a_100020640021_100103153847 [0,1,0,0,0,1|2,0,0]=4 2433 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 2434 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 2435 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 2436 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,1,0,0,0,1|2,0,0]=4 2437 B12R1.125 CC(=O)NCc1ccncc1F 11a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 2438 B12R1.125 CC(=O)NCc1ccncc1F 1626a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.125 CC(=O)NCc1ccncc1F 240690a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 2440 B12R1.125 CC(=O)NCc1ccncc1F 527a_100011935246_100103153847 [0,1,0,0,0,1|2,0,0]=4 2441 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 2443 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,1,0,0,0,1|2,0,0]=4 2444 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 2445 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 2446 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,1,0,0,0,1|2,0,0]=4 2447 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2448 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2449 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2450 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,1,0,0,0,1|2,0,0]=4 2451 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,1,0,0,0,1|2,0,0]=4 2455 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 2456 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 2457 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 2458 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,1,0,0,0,1|2,0,0]=4 2459 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,1,0,0,0,1|2,0,0]=4 2460 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,1,0,0,0,1|2,0,0]=4 2461 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,1,0,0,0,1|2,0,0]=4 2462 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,1,0,0,0,1|2,0,0]=4 2463 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,1,0,0,0,1|2,0,0]=4 2464 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,1,0,0,0,1|1,0,1]=4 2465 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,1,0,0,0,1|1,0,1]=4 2466 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,1,0,0,0,1|1,0,1]=4 2467 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,1,0,0,0,1|1,0,1]=4 2468 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,1,0,0,0,1|1,0,1]=4 2469 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,1,0,0,0,1|1,0,1]=4 2470 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,1,0,0,0,1|1,0,1]=4 2471 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,1,0,0,0,1|1,0,1]=4 2472 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,1,0,0,0,1|1,0,1]=4 2473 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,1,0,0,0,1|1,0,1]=4 2474 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,1,0,0,0,1|1,0,1]=4 2475 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,1,0,0,0,1|1,0,1]=4 2476 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,1,0,0,0,1|1,0,1]=4 2477 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,1,0,0,0,1|1,0,1]=4 2478 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,1,0,0,0,1|1,0,1]=4 2479 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,1,0,0,0,1|1,0,1]=4 2480 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,1,0,0,0,1|1,0,1]=4 2481 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,1,0,0,0,1|1,0,1]=4 2482 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,1,0,0,0,1|1,0,1]=4 2483 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,1,0,0,0,1|1,0,1]=4 2484 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,1,0,0,0,1|1,0,1]=4 2485 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,1,0,0,0,1|1,0,1]=4 2486 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,1,0,0,0,1|1,0,1]=4 2487 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,1,0,0,0,1|1,0,1]=4 2488 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,1,0,0,0,1|1,0,1]=4 2489 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,1,0,0,0,1|1,0,1]=4 2490 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,1,0,0,0,1|1,0,1]=4 2491 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,1,0,0,0,1|1,0,1]=4 2492 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,1,0,0,0,1|1,0,1]=4 2493 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,1,0,0,0,1|1,0,1]=4 2494 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,1,0,0,0,1|1,0,1]=4 2495 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,1,0,0,0,1|1,0,1]=4 2496 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,1,0,0,0,1|1,0,1]=4 2497 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,1,0,0,0,1|1,0,1]=4 2498 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,1,0,0,0,1|1,0,1]=4 2499 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,1,0,0,0,1|1,0,1]=4 2500 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,1,0,0,0,1|1,0,1]=4 2501 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,1,0,0,0,1|1,0,1]=4 2502 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,1,0,0,0,1|1,0,1]=4 2503 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,1,0,0,0,1|1,0,1]=4 2504 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,1,0,0,0,1|1,0,1]=4 2505 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,1,0,0,0,1|1,0,1]=4 2506 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,1,0,0,0,1|1,0,1]=4 2507 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,1,0,0,0,1|1,0,1]=4 2508 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,1,0,0,0,1|1,0,1]=4 2509 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,1,0,0,0,1|1,0,1]=4 2510 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,1,0,0,0,1|1,0,1]=4 2511 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,1,0,0,0,1|1,0,1]=4 2512 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,1,0,0,0,1|1,0,1]=4 2513 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,1,0,0,0,1|1,0,1]=4 2514 B12R1.125 C[n+]1ccccc1SCC(=O)N 62a_100000747473_100000212160 [0,1,0,0,0,1|2,0,0]=4 2515 B12R1.125 C[n+]1ccccc1SCC(=O)[O-] 62a_100020667443_100000212160 [0,1,0,0,0,1|1,0,1]=4 2516 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,1|1,0,0]=3 2517 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,0,1|1,0,0]=3 2518 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,0,1|0,0,1]=3 2519 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,1,0,0,0,1|1,0,1]=4 2520 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,1,0,0,0,1|1,0,1]=4 2521 B12R1.125 Cc1ccccc1NC[N+](=O)[O-] 34a_100015192222_100000761209 [0,1,0,0,0,1|1,0,1]=4 2522 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,0,1|1,0,0]=3 2523 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,0,1|1,0,0]=3 2524 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,1|1,0,0]=3 2525 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,0,1|0,0,1]=3 2526 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,1,0,0,0,1|1,0,1]=4 2527 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,1,0,0,0,1|1,0,1]=4 2528 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,1,0,0,0,1|1,0,1]=4 2529 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,1,0,0,0,1|1,0,1]=4 2530 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,1,0,0,0,1|1,0,1]=4 2531 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,0,1|1,0,0]=3 2532 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,0,1|1,0,0]=3 2533 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,1|1,0,0]=3 2534 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,0,1|0,0,1]=3 2535 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,0,1|0,0,1]=3 2536 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,1,0,0,0,1|1,0,1]=4 2537 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,1,0,0,0,1|1,0,1]=4 2538 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,1,0,0,0,1|1,0,1]=4 2539 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,1,0,0,0,1|1,0,1]=4 2540 B12R1.125 Cc1ccccc1SC[N+](=O)[O-] 62a_100000210755_100000761209 [0,1,0,0,0,1|1,0,1]=4 2541 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000747473_100000751373 [0,1,0,0,0,1|2,0,0]=4 2542 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000751373_100000747473 [0,1,0,0,0,1|2,0,0]=4 2543 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100000751373_100020667443 [0,1,0,0,0,1|1,0,1]=4 2544 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100020667443_100000751373 [0,1,0,0,0,1|1,0,1]=4 2545 B12R1.125 Cc1ccncc1OCC(=O)N 34a_100011997053_100000187820 [0,1,0,0,0,1|2,0,0]=4 2546 B12R1.125 Cc1ccncc1OCC(=O)N 7a_100011997053_100000187820 [0,1,0,0,0,1|2,0,0]=4 2547 B12R1.125 Cc1ccncc1OCC(=O)[O-] 34a_100011997053_100020667443 [0,1,0,0,0,1|1,0,1]=4 2548 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000747473_100000761580 [0,1,0,0,0,1|2,0,0]=4 2549 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000761580_100000747473 [0,1,0,0,0,1|2,0,0]=4 2550 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100000761580_100020667443 [0,1,0,0,0,1|1,0,1]=4 2551 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100020667443_100000761580 [0,1,0,0,0,1|1,0,1]=4 2552 B12R1.125 Cc1cnccc1OCC(=O)N 34a_100000694293_100000187820 [0,1,0,0,0,1|2,0,0]=4 2553 B12R1.125 Cc1cnccc1OCC(=O)[O-] 34a_100000694293_100020667443 [0,1,0,0,0,1|1,0,1]=4 2554 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000747473_100000765111 [0,1,0,0,0,1|2,0,0]=4 2555 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000765111_100000747473 [0,1,0,0,0,1|2,0,0]=4 2556 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100000765111_100020667443 [0,1,0,0,0,1|1,0,1]=4 2557 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100020667443_100000765111 [0,1,0,0,0,1|1,0,1]=4 2558 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [0,1,0,0,0,1|2,0,0]=4 2559 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [0,1,0,0,0,1|2,0,0]=4 2560 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [0,1,0,0,0,1|1,0,1]=4 2561 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000747473_100000751574 [0,1,0,0,0,1|2,0,0]=4 2562 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000751574_100000747473 [0,1,0,0,0,1|2,0,0]=4 2563 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100000751574_100020667443 [0,1,0,0,0,1|1,0,1]=4 2564 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100020667443_100000751574 [0,1,0,0,0,1|1,0,1]=4 2565 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,1|1,0,0]=3 2566 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,0,1|1,0,0]=3 2567 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,0,1|1,0,0]=3 2568 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,0,1|1,0,0]=3 2569 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,0,1|1,0,0]=3 2570 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,0,1|1,0,0]=3 2571 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [0,1,0,0,0,1|2,0,0]=4 2572 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,0,1|1,0,0]=3 2573 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,0,1|1,0,0]=3 2574 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,0,1|1,0,0]=3 2575 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,0,1|1,0,0]=3 2576 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,0,1|1,0,0]=3 2577 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,0,1|1,0,0]=3 2578 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,0,1|1,0,0]=3 2579 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,0,1|1,0,0]=3 2580 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,0,1|1,0,0]=3 2581 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,0,1|1,0,0]=3 2582 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,0,1|1,0,0]=3 2583 B12R1.125 NC(=O)COc1cccnc1Br 34a_100000744436_100000187820 [0,1,0,0,0,1|2,0,0]=4 2584 B12R1.125 NC(=O)COc1cccnc1Br 7a_100000744436_100000187820 [0,1,0,0,0,1|2,0,0]=4 2585 B12R1.125 NC(=O)COc1cccnc1Cl 34a_100000757616_100000187820 [0,1,0,0,0,1|2,0,0]=4 2586 B12R1.125 NC(=O)COc1cccnc1Cl 7a_100000757616_100000187820 [0,1,0,0,0,1|2,0,0]=4 2587 B12R1.125 NC(=O)COc1cccnc1F 34a_100000061740_100000187820 [0,1,0,0,0,1|2,0,0]=4 2588 B12R1.125 NC(=O)COc1cccnc1F 7a_100000061740_100000187820 [0,1,0,0,0,1|2,0,0]=4 2589 B12R1.125 NC(=O)COc1cccnc1I 34a_100000034122_100000187820 [0,1,0,0,0,1|2,0,0]=4 2590 B12R1.125 NC(=O)COc1cccnc1I 7a_100000034122_100000187820 [0,1,0,0,0,1|2,0,0]=4 2591 B12R1.125 NC(=O)COc1cccnc1N 34a_100000211975_100000187820 [0,1,0,0,0,1|2,0,0]=4 2592 B12R1.125 NC(=O)COc1cccnc1N 7a_100000211975_100000187820 [0,1,0,0,0,1|2,0,0]=4 2593 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [0,1,0,0,0,1|2,0,0]=4 2594 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [0,1,0,0,0,1|2,0,0]=4 2595 B12R1.125 NC(=O)COc1ccncc1Br 34a_100011996408_100000187820 [0,1,0,0,0,1|2,0,0]=4 2596 B12R1.125 NC(=O)COc1ccncc1Cl 34a_100011997054_100000187820 [0,1,0,0,0,1|2,0,0]=4 2597 B12R1.125 NC(=O)COc1ccncc1F 34a_200000081243_100000187820 [0,1,0,0,0,1|2,0,0]=4 2598 B12R1.125 NC(=O)COc1cnccc1Cl 34a_100011996695_100000187820 [0,1,0,0,0,1|2,0,0]=4 2599 B12R1.125 NC(=O)COc1cnccc1I 34a_100000050107_100000187820 [0,1,0,0,0,1|2,0,0]=4 2600 B12R1.125 NC(=O)COc1cnccc1N 34a_100000753702_100000187820 [0,1,0,0,0,1|2,0,0]=4 2601 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [0,1,0,0,0,1|2,0,0]=4 2602 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [0,1,0,0,0,1|2,0,0]=4 2603 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [0,1,0,0,0,1|2,0,0]=4 2604 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [0,1,0,0,0,1|2,0,0]=4 2605 B12R1.125 NC(=O)CSc1c[nH]ccc1=O 62a_100000747473_100009998708 [0,1,0,0,0,1|2,0,0]=4 2606 B12R1.125 NC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000747473 [0,1,0,0,0,1|2,0,0]=4 2607 B12R1.125 NC(=O)CSc1c[nH]ccc1=S 62a_100000747473_200012280681 [0,1,0,0,0,1|2,0,0]=4 2608 B12R1.125 NC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000747473 [0,1,0,0,0,1|2,0,0]=4 2609 B12R1.125 NC(=O)CSc1cccc[n+]1[O-] 62a_100000747473_200000042595 [0,1,0,0,0,1|2,0,0]=4 2610 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,0,1|1,0,0]=3 2611 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,0,1|1,0,0]=3 2612 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,0,1|1,0,0]=3 2613 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,0,1|1,0,0]=3 2614 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,0,1|1,0,0]=3 2615 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,0,1|1,0,0]=3 2616 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,0,1|1,0,0]=3 2617 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,0,1|1,0,0]=3 2618 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,0,1|1,0,0]=3 2619 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,0,1|1,0,0]=3 2620 B12R1.125 NC(=O)CSc1cccnc1Br 62a_100000747473_100010202626 [0,1,0,0,0,1|2,0,0]=4 2621 B12R1.125 NC(=O)CSc1cccnc1Br 62a_100010202626_100000747473 [0,1,0,0,0,1|2,0,0]=4 2622 B12R1.125 NC(=O)CSc1cccnc1Cl 62a_100000036424_100000747473 [0,1,0,0,0,1|2,0,0]=4 2623 B12R1.125 NC(=O)CSc1cccnc1Cl 62a_100000747473_100000036424 [0,1,0,0,0,1|2,0,0]=4 2624 B12R1.125 NC(=O)CSc1cccnc1F 62a_100000747473_100009816115 [0,1,0,0,0,1|2,0,0]=4 2625 B12R1.125 NC(=O)CSc1cccnc1F 62a_100009816115_100000747473 [0,1,0,0,0,1|2,0,0]=4 2626 B12R1.125 NC(=O)CSc1cccnc1N 62a_100000045569_100000747473 [0,1,0,0,0,1|2,0,0]=4 2627 B12R1.125 NC(=O)CSc1cccnc1N 62a_100000747473_100000045569 [0,1,0,0,0,1|2,0,0]=4 2628 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000747473_100000760158 [0,1,0,0,0,1|2,0,0]=4 2629 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000760158_100000747473 [0,1,0,0,0,1|2,0,0]=4 2630 B12R1.125 NC(=O)CSc1ccncc1Br 62a_100000726257_100000747473 [0,1,0,0,0,1|2,0,0]=4 2631 B12R1.125 NC(=O)CSc1ccncc1Br 62a_100000747473_100000726257 [0,1,0,0,0,1|2,0,0]=4 2632 B12R1.125 NC(=O)CSc1ccncc1Cl 62a_100000708259_100000747473 [0,1,0,0,0,1|2,0,0]=4 2633 B12R1.125 NC(=O)CSc1ccncc1Cl 62a_100000747473_100000708259 [0,1,0,0,0,1|2,0,0]=4 2634 B12R1.125 NC(=O)CSc1ccncc1F 62a_100000047030_100000747473 [0,1,0,0,0,1|2,0,0]=4 2635 B12R1.125 NC(=O)CSc1ccncc1F 62a_100000747473_100000047030 [0,1,0,0,0,1|2,0,0]=4 2636 B12R1.125 NC(=O)CSc1ccncc1N 62a_100000747473_100000756074 [0,1,0,0,0,1|2,0,0]=4 2637 B12R1.125 NC(=O)CSc1ccncc1N 62a_100000756074_100000747473 [0,1,0,0,0,1|2,0,0]=4 2638 B12R1.125 NC(=O)CSc1ccncc1O 62a_100000747473_100009817591 [0,1,0,0,0,1|2,0,0]=4 2639 B12R1.125 NC(=O)CSc1ccncc1O 62a_100009817591_100000747473 [0,1,0,0,0,1|2,0,0]=4 2640 B12R1.125 NC(=O)CSc1cnccc1Br 62a_100000747473_100010138639 [0,1,0,0,0,1|2,0,0]=4 2641 B12R1.125 NC(=O)CSc1cnccc1Br 62a_100010138639_100000747473 [0,1,0,0,0,1|2,0,0]=4 2642 B12R1.125 NC(=O)CSc1cnccc1Cl 62a_100000747473_100009995489 [0,1,0,0,0,1|2,0,0]=4 2643 B12R1.125 NC(=O)CSc1cnccc1Cl 62a_100009995489_100000747473 [0,1,0,0,0,1|2,0,0]=4 2644 B12R1.125 NC(=O)CSc1cnccc1F 62a_100000747473_100009820683 [0,1,0,0,0,1|2,0,0]=4 2645 B12R1.125 NC(=O)CSc1cnccc1F 62a_100009820683_100000747473 [0,1,0,0,0,1|2,0,0]=4 2646 B12R1.125 NC(=O)CSc1cnccc1N 62a_100000047001_100000747473 [0,1,0,0,0,1|2,0,0]=4 2647 B12R1.125 NC(=O)CSc1cnccc1N 62a_100000747473_100000047001 [0,1,0,0,0,1|2,0,0]=4 2648 B12R1.125 NC(=O)CSc1ncccc1Br 62a_100000696092_100000747473 [0,1,0,0,0,1|2,0,0]=4 2649 B12R1.125 NC(=O)CSc1ncccc1Br 62a_100000747473_100000696092 [0,1,0,0,0,1|2,0,0]=4 2650 B12R1.125 NC(=O)CSc1ncccc1Cl 62a_100000747473_100011356963 [0,1,0,0,0,1|2,0,0]=4 2651 B12R1.125 NC(=O)CSc1ncccc1Cl 62a_100011356963_100000747473 [0,1,0,0,0,1|2,0,0]=4 2652 B12R1.125 NC(=O)CSc1ncccc1F 62a_100000685392_100000747473 [0,1,0,0,0,1|2,0,0]=4 2653 B12R1.125 NC(=O)CSc1ncccc1F 62a_100000747473_100000685392 [0,1,0,0,0,1|2,0,0]=4 2654 B12R1.125 NC(=O)CSc1ncccc1N 62a_100000688686_100000747473 [0,1,0,0,0,1|2,0,0]=4 2655 B12R1.125 NC(=O)CSc1ncccc1N 62a_100000747473_100000688686 [0,1,0,0,0,1|2,0,0]=4 2656 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000034122_100000747473 [0,1,0,0,0,1|2,0,0]=4 2657 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000747473_100000034122 [0,1,0,0,0,1|2,0,0]=4 2658 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,0,1|0,0,1]=3 2659 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,1,0,0,0,1|1,0,1]=4 2660 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,0,1|0,0,1]=3 2661 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,0,1|0,0,1]=3 2662 B12R1.125 Nc1ccccc1SC[N+](=O)[O-] 62a_100000210017_100000761209 [0,1,0,0,0,1|1,0,1]=4 2663 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [0,1,0,0,0,1|1,0,1]=4 2664 B12R1.125 Nc1cccnc1SCC(=O)[O-] 62a_100000688686_100020667443 [0,1,0,0,0,1|1,0,1]=4 2665 B12R1.125 Nc1cccnc1SCC(=O)[O-] 62a_100020667443_100000688686 [0,1,0,0,0,1|1,0,1]=4 2666 B12R1.125 Nc1ccncc1OCC(=O)[O-] 34a_100000753702_100020667443 [0,1,0,0,0,1|1,0,1]=4 2667 B12R1.125 Nc1ccncc1SCC(=O)[O-] 62a_100000047001_100020667443 [0,1,0,0,0,1|1,0,1]=4 2668 B12R1.125 Nc1ccncc1SCC(=O)[O-] 62a_100020667443_100000047001 [0,1,0,0,0,1|1,0,1]=4 2669 B12R1.125 Nc1cnccc1SCC(=O)[O-] 62a_100000756074_100020667443 [0,1,0,0,0,1|1,0,1]=4 2670 B12R1.125 Nc1cnccc1SCC(=O)[O-] 62a_100020667443_100000756074 [0,1,0,0,0,1|1,0,1]=4 2671 B12R1.125 Nc1ncccc1OCC(=O)[O-] 34a_100000211975_100020667443 [0,1,0,0,0,1|1,0,1]=4 2672 B12R1.125 Nc1ncccc1SCC(=O)[O-] 62a_100000045569_100020667443 [0,1,0,0,0,1|1,0,1]=4 2673 B12R1.125 Nc1ncccc1SCC(=O)[O-] 62a_100020667443_100000045569 [0,1,0,0,0,1|1,0,1]=4 2674 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,0,1|0,0,1]=3 2675 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,1|0,0,1]=3 2676 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,0,1|0,0,1]=3 2677 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,0,1|0,0,1]=3 2678 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,0,1|0,0,1]=3 2679 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,0,1|0,0,1]=3 2680 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,1|0,0,1]=3 2681 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,0,1|0,0,1]=3 2682 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,0,1|0,0,1]=3 2683 B12R1.125 O=C([O-])COc1cccnc1Br 34a_100000744436_100020667443 [0,1,0,0,0,1|1,0,1]=4 2684 B12R1.125 O=C([O-])COc1cccnc1Cl 34a_100000757616_100020667443 [0,1,0,0,0,1|1,0,1]=4 2685 B12R1.125 O=C([O-])COc1cccnc1F 34a_100000061740_100020667443 [0,1,0,0,0,1|1,0,1]=4 2686 B12R1.125 O=C([O-])COc1cccnc1I 34a_100000034122_100020667443 [0,1,0,0,0,1|1,0,1]=4 2687 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [0,1,0,0,0,1|1,0,1]=4 2688 B12R1.125 O=C([O-])COc1ccncc1Br 34a_100011996408_100020667443 [0,1,0,0,0,1|1,0,1]=4 2689 B12R1.125 O=C([O-])COc1ccncc1Cl 34a_100011997054_100020667443 [0,1,0,0,0,1|1,0,1]=4 2690 B12R1.125 O=C([O-])COc1ccncc1F 34a_200000081243_100020667443 [0,1,0,0,0,1|1,0,1]=4 2691 B12R1.125 O=C([O-])COc1cnccc1Cl 34a_100011996695_100020667443 [0,1,0,0,0,1|1,0,1]=4 2692 B12R1.125 O=C([O-])COc1cnccc1I 34a_100000050107_100020667443 [0,1,0,0,0,1|1,0,1]=4 2693 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [0,1,0,0,0,1|1,0,1]=4 2694 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [0,1,0,0,0,1|1,0,1]=4 2695 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [0,1,0,0,0,1|1,0,1]=4 2696 B12R1.125 O=C([O-])CSc1c[nH]ccc1=O 62a_100009998708_100020667443 [0,1,0,0,0,1|1,0,1]=4 2697 B12R1.125 O=C([O-])CSc1c[nH]ccc1=O 62a_100020667443_100009998708 [0,1,0,0,0,1|1,0,1]=4 2698 B12R1.125 O=C([O-])CSc1c[nH]ccc1=S 62a_100020667443_200012280681 [0,1,0,0,0,1|1,0,1]=4 2699 B12R1.125 O=C([O-])CSc1c[nH]ccc1=S 62a_200012280681_100020667443 [0,1,0,0,0,1|1,0,1]=4 2700 B12R1.125 O=C([O-])CSc1cccc[n+]1[O-] 62a_100020667443_200000042595 [0,1,0,0,0,1|1,0,1]=4 2701 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,0,1|0,0,1]=3 2702 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,0,1|0,0,1]=3 2703 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,1|0,0,1]=3 2704 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,1|0,0,1]=3 2705 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,0,1|0,0,1]=3 2706 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,0,1|0,0,1]=3 2707 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,0,1|0,0,1]=3 2708 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,0,1|0,0,1]=3 2709 B12R1.125 O=C([O-])CSc1cccnc1Br 62a_100010202626_100020667443 [0,1,0,0,0,1|1,0,1]=4 2710 B12R1.125 O=C([O-])CSc1cccnc1Br 62a_100020667443_100010202626 [0,1,0,0,0,1|1,0,1]=4 2711 B12R1.125 O=C([O-])CSc1cccnc1Cl 62a_100000036424_100020667443 [0,1,0,0,0,1|1,0,1]=4 2712 B12R1.125 O=C([O-])CSc1cccnc1Cl 62a_100020667443_100000036424 [0,1,0,0,0,1|1,0,1]=4 2713 B12R1.125 O=C([O-])CSc1cccnc1F 62a_100009816115_100020667443 [0,1,0,0,0,1|1,0,1]=4 2714 B12R1.125 O=C([O-])CSc1cccnc1F 62a_100020667443_100009816115 [0,1,0,0,0,1|1,0,1]=4 2715 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100000760158_100020667443 [0,1,0,0,0,1|1,0,1]=4 2716 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100020667443_100000760158 [0,1,0,0,0,1|1,0,1]=4 2717 B12R1.125 O=C([O-])CSc1ccncc1Br 62a_100000726257_100020667443 [0,1,0,0,0,1|1,0,1]=4 2718 B12R1.125 O=C([O-])CSc1ccncc1Br 62a_100020667443_100000726257 [0,1,0,0,0,1|1,0,1]=4 2719 B12R1.125 O=C([O-])CSc1ccncc1Cl 62a_100000708259_100020667443 [0,1,0,0,0,1|1,0,1]=4 2720 B12R1.125 O=C([O-])CSc1ccncc1Cl 62a_100020667443_100000708259 [0,1,0,0,0,1|1,0,1]=4 2721 B12R1.125 O=C([O-])CSc1ccncc1F 62a_100000047030_100020667443 [0,1,0,0,0,1|1,0,1]=4 2722 B12R1.125 O=C([O-])CSc1ccncc1F 62a_100020667443_100000047030 [0,1,0,0,0,1|1,0,1]=4 2723 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100009817591_100020667443 [0,1,0,0,0,1|1,0,1]=4 2724 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100020667443_100009817591 [0,1,0,0,0,1|1,0,1]=4 2725 B12R1.125 O=C([O-])CSc1cnccc1Br 62a_100010138639_100020667443 [0,1,0,0,0,1|1,0,1]=4 2726 B12R1.125 O=C([O-])CSc1cnccc1Br 62a_100020667443_100010138639 [0,1,0,0,0,1|1,0,1]=4 2727 B12R1.125 O=C([O-])CSc1cnccc1Cl 62a_100009995489_100020667443 [0,1,0,0,0,1|1,0,1]=4 2728 B12R1.125 O=C([O-])CSc1cnccc1Cl 62a_100020667443_100009995489 [0,1,0,0,0,1|1,0,1]=4 2729 B12R1.125 O=C([O-])CSc1cnccc1F 62a_100009820683_100020667443 [0,1,0,0,0,1|1,0,1]=4 2730 B12R1.125 O=C([O-])CSc1cnccc1F 62a_100020667443_100009820683 [0,1,0,0,0,1|1,0,1]=4 2731 B12R1.125 O=C([O-])CSc1ncccc1Br 62a_100000696092_100020667443 [0,1,0,0,0,1|1,0,1]=4 2732 B12R1.125 O=C([O-])CSc1ncccc1Br 62a_100020667443_100000696092 [0,1,0,0,0,1|1,0,1]=4 2733 B12R1.125 O=C([O-])CSc1ncccc1Cl 62a_100011356963_100020667443 [0,1,0,0,0,1|1,0,1]=4 2734 B12R1.125 O=C([O-])CSc1ncccc1Cl 62a_100020667443_100011356963 [0,1,0,0,0,1|1,0,1]=4 2735 B12R1.125 O=C([O-])CSc1ncccc1F 62a_100000685392_100020667443 [0,1,0,0,0,1|1,0,1]=4 2736 B12R1.125 O=C([O-])CSc1ncccc1F 62a_100020667443_100000685392 [0,1,0,0,0,1|1,0,1]=4 2737 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100000034122_100020667443 [0,1,0,0,0,1|1,0,1]=4 2738 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100020667443_100000034122 [0,1,0,0,0,1|1,0,1]=4 2739 B12R1.125 O=[N+]([O-])CNc1ccccc1Br 34a_100000210017_100000761209 [0,1,0,0,0,1|1,0,1]=4 2740 B12R1.125 O=[N+]([O-])CNc1ccccc1Cl 34a_100000185783_100000761209 [0,1,0,0,0,1|1,0,1]=4 2741 B12R1.125 O=[N+]([O-])CNc1ccccc1F 34a_100000210422_100000761209 [0,1,0,0,0,1|1,0,1]=4 2742 B12R1.125 O=[N+]([O-])CNc1ccccc1I 34a_100000210053_100000761209 [0,1,0,0,0,1|1,0,1]=4 2743 B12R1.125 O=[N+]([O-])CNc1ccccc1O 34a_100000185747_100000761209 [0,1,0,0,0,1|1,0,1]=4 2744 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,1,0,0,0,1|1,0,1]=4 2745 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,1,0,0,0,1|1,0,1]=4 2746 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,1,0,0,0,1|1,0,1]=4 2747 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,1,0,0,0,1|1,0,1]=4 2748 B12R1.125 O=[N+]([O-])CSc1ccccc1Br 62a_100000695589_100000761209 [0,1,0,0,0,1|1,0,1]=4 2749 B12R1.125 O=[N+]([O-])CSc1ccccc1Cl 62a_100000764095_100000761209 [0,1,0,0,0,1|1,0,1]=4 2750 B12R1.125 O=[N+]([O-])CSc1ccccc1F 62a_100011215700_100000761209 [0,1,0,0,0,1|1,0,1]=4 2751 B12R1.125 O=[N+]([O-])CSc1ccccc1O 62a_100000739446_100000761209 [0,1,0,0,0,1|1,0,1]=4 2752 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,1,0,0,0,1|1,0,1]=4 2753 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,0,0,0,1|1,0,1]=4 2754 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,0,0,0,1|1,0,1]=4 2755 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,0,0,0,1|1,0,1]=4 2756 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,0,0,0,1|1,0,1]=4 2757 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,1|1,0,0]=3 2758 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,1|1,0,0]=3 2759 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,1|1,0,0]=3 2760 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,1|1,0,0]=3 2761 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,1|1,0,0]=3 2762 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,0,1|2,0,0]=4 2763 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,1|1,0,0]=3 2764 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,1|1,0,0]=3 2765 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,1|1,0,0]=3 2766 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,1|1,0,0]=3 2767 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,1|1,0,0]=3 2768 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,1|1,0,0]=3 2769 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [0,1,0,0,0,1|2,0,0]=4 2770 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,1,0,0,0,1|2,0,0]=4 2771 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,1,0,0,0,1|2,0,0]=4 2772 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [0,1,0,0,0,1|2,0,0]=4 2773 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [0,1,0,0,0,1|2,0,0]=4 2774 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [0,1,0,0,0,1|2,0,0]=4 2775 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,1,0,0,0,1|2,0,0]=4 2776 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,1,0,0,0,1|2,0,0]=4 2777 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,1,0,0,0,1|2,0,0]=4 2778 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,1,0,0,0,1|2,0,0]=4 2779 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,1,0,0,0,1|2,0,0]=4 2780 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,1,0,0,0,1|2,0,0]=4 2781 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,1,0,0,0,1|2,0,0]=4 2782 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,1,0,0,0,1|2,0,0]=4 2783 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,1,0,0,0,1|2,0,0]=4 2784 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,1,0,0,0,1|2,0,0]=4 2785 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,1,0,0,0,1|2,0,0]=4 2786 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,1,0,0,0,1|2,0,0]=4 2787 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [0,1,0,0,0,1|2,0,0]=4 2788 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [0,1,0,0,0,1|2,0,0]=4 2789 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,1,0,0,0,1|2,0,0]=4 2790 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,1,0,0,0,1|2,0,0]=4 2791 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [0,1,0,0,0,1|2,0,0]=4 2792 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [0,1,0,0,0,1|2,0,0]=4 2793 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [0,1,0,0,0,1|2,0,0]=4 2794 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [0,1,0,0,0,1|2,0,0]=4 2795 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [0,1,0,0,0,1|2,0,0]=4 2796 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [0,1,0,0,0,1|2,0,0]=4 2797 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,1,0,0,0,1|2,0,0]=4 2798 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [0,1,0,0,0,1|2,0,0]=4 2799 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [0,1,0,0,0,1|2,0,0]=4 2800 B12R1.226 C=C(F)CNc1cccc(c1)Br 34a_100000210019_100009893438 [0,1,0,0,0,1|2,0,0]=4 2801 B12R1.226 C=C(F)CNc1cccc(c1)C 2230a_100000188690_100009893438 [0,1,0,0,0,1|2,0,0]=4 2802 B12R1.226 C=C(F)CNc1cccc(c1)C 34a_100000188690_100009893438 [0,1,0,0,0,1|2,0,0]=4 2803 B12R1.226 C=C(F)CNc1cccc(c1)Cl 34a_100000185859_100009893438 [0,1,0,0,0,1|2,0,0]=4 2804 B12R1.226 C=C(F)CNc1cccc(c1)F 34a_100000210047_100009893438 [0,1,0,0,0,1|2,0,0]=4 2805 B12R1.226 C=C(F)CNc1cccc(c1)I 34a_100000211102_100009893438 [0,1,0,0,0,1|2,0,0]=4 2806 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [0,1,0,0,0,1|2,0,0]=4 2807 B12R1.226 C=C(F)COc1cccc(c1)Br 34a_100000210342_100009893438 [0,1,0,0,0,1|2,0,0]=4 2808 B12R1.226 C=C(F)COc1cccc(c1)Br 7a_100000210342_100000042424 [0,1,0,0,0,1|2,0,0]=4 2809 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,1,0,0,0,1|2,0,0]=4 2810 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,1,0,0,0,1|2,0,0]=4 2811 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,1,0,0,0,1|2,0,0]=4 2812 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,1,0,0,0,1|2,0,0]=4 2813 B12R1.226 C=C(F)COc1cccc(c1)F 34a_100000210426_100009893438 [0,1,0,0,0,1|2,0,0]=4 2814 B12R1.226 C=C(F)COc1cccc(c1)F 7a_100000210426_100000042424 [0,1,0,0,0,1|2,0,0]=4 2815 B12R1.226 C=C(F)COc1cccc(c1)I 34a_100000211634_100009893438 [0,1,0,0,0,1|2,0,0]=4 2816 B12R1.226 C=C(F)COc1cccc(c1)I 7a_100000211634_100000042424 [0,1,0,0,0,1|2,0,0]=4 2817 B12R1.226 C=C(F)COc1cccc(c1)N 34a_100000210217_100009893438 [0,1,0,0,0,1|2,0,0]=4 2818 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000042424_100000691529 [0,1,0,0,0,1|2,0,0]=4 2819 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000691529_100000042424 [0,1,0,0,0,1|2,0,0]=4 2820 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100000042424_100011215228 [0,1,0,0,0,1|2,0,0]=4 2821 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100011215228_100000042424 [0,1,0,0,0,1|2,0,0]=4 2822 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000042424_100000699651 [0,1,0,0,0,1|2,0,0]=4 2823 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000699651_100000042424 [0,1,0,0,0,1|2,0,0]=4 2824 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000042424_100000685547 [0,1,0,0,0,1|2,0,0]=4 2825 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000685547_100000042424 [0,1,0,0,0,1|2,0,0]=4 2826 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000042424_100000210019 [0,1,0,0,0,1|2,0,0]=4 2827 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000210019_100000042424 [0,1,0,0,0,1|2,0,0]=4 2828 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [0,1,0,0,0,1|2,0,0]=4 2829 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_100000042424_114929384022 [0,1,0,0,0,1|2,0,0]=4 2830 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_114929384022_100000042424 [0,1,0,0,0,1|2,0,0]=4 2831 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,0,0,0,1|1,0,1]=4 2832 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,1,0,0,0,1|1,0,1]=4 2833 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,1,0,0,0,1|1,0,1]=4 2834 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,1,0,0,0,1|1,0,1]=4 2835 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,1,0,0,0,1|1,0,1]=4 2836 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,1,0,0,0,1|1,0,1]=4 2837 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,0,0,0,1|1,0,1]=4 2838 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,0,0,0,1|1,0,1]=4 2839 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,0,0,0,1|1,0,1]=4 2840 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,0,0,0,1|1,0,1]=4 2841 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,0,0,0,1|1,0,1]=4 2842 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,1|1,0,0]=3 2843 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,1|1,0,0]=3 2844 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,1|1,0,0]=3 2845 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,1|1,0,0]=3 2846 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,1|1,0,0]=3 2847 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,1|1,0,0]=3 2848 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,1|1,0,0]=3 2849 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,1|1,0,0]=3 2850 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,1|1,0,0]=3 2851 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,1|1,0,0]=3 2852 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,1|1,0,0]=3 2853 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,1|1,0,0]=3 2854 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,1|1,0,0]=3 2855 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,1|1,0,0]=3 2856 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,1|1,0,0]=3 2857 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,1|1,0,0]=3 2858 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 2859 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 2860 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 2861 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,1,0,0,0,1|2,0,0]=4 2862 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 2863 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 2864 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 2865 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,1,0,0,0,1|2,0,0]=4 2866 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2867 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2868 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2869 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,1,0,0,0,1|2,0,0]=4 2870 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 2871 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 2872 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 2873 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [0,1,0,0,0,1|2,0,0]=4 2874 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,1|1,0,0]=3 2875 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,1|1,0,0]=3 2876 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,1|1,0,0]=3 2877 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,1|1,0,0]=3 2878 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,1|1,0,0]=3 2879 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,1|1,0,0]=3 2880 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,1|1,0,0]=3 2881 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,1|1,0,0]=3 2882 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,1|1,0,0]=3 2883 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,1|1,0,0]=3 2884 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,1|1,0,0]=3 2885 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,1|1,0,0]=3 2886 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,1|1,0,0]=3 2887 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,1|1,0,0]=3 2888 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,1|1,0,0]=3 2889 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,1|1,0,0]=3 2890 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,1|1,0,0]=3 2891 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,1|1,0,0]=3 2892 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,1|1,0,0]=3 2893 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,1|1,0,0]=3 2894 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,1|1,0,0]=3 2895 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,1|1,0,0]=3 2896 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,1|1,0,0]=3 2897 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2898 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2899 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2900 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,1,0,0,0,1|2,0,0]=4 2901 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2902 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2903 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2904 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,1,0,0,0,1|2,0,0]=4 2905 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2906 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2907 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2908 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,1,0,0,0,1|2,0,0]=4 2909 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2910 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2911 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2912 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,1,0,0,0,1|2,0,0]=4 2913 B12R1.226 CC(=O)NCc1ccnc(c1)Br 11a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2914 B12R1.226 CC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2915 B12R1.226 CC(=O)NCc1ccnc(c1)Br 527a_100025757509_100103153847 [0,1,0,0,0,1|2,0,0]=4 2916 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 2917 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 2918 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 2919 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,1,0,0,0,1|2,0,0]=4 2920 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2921 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2922 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2923 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100103153847 [0,1,0,0,0,1|2,0,0]=4 2924 B12R1.226 CC(=O)NCc1ccnc(c1)F 11a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2925 B12R1.226 CC(=O)NCc1ccnc(c1)F 1626a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2926 B12R1.226 CC(=O)NCc1ccnc(c1)F 240690a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2927 B12R1.226 CC(=O)NCc1ccnc(c1)F 527a_100015188774_100103153847 [0,1,0,0,0,1|2,0,0]=4 2928 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 2929 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 2930 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [0,1,0,0,0,1|2,0,0]=4 2931 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 2932 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 2933 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [0,1,0,0,0,1|2,0,0]=4 2934 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 2935 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 2936 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 2937 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [0,1,0,0,0,1|2,0,0]=4 2938 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2939 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2940 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2941 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [0,1,0,0,0,1|2,0,0]=4 2942 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2943 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2944 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2945 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [0,1,0,0,0,1|2,0,0]=4 2946 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,1,0,0,0,1|2,0,0]=4 2947 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,1,0,0,0,1|2,0,0]=4 2948 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,1,0,0,0,1|2,0,0]=4 2949 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,1,0,0,0,1|2,0,0]=4 2950 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,1,0,0,0,1|2,0,0]=4 2951 B12R1.226 CC(O)CNc1cccc(c1)Br 34a_100000210019_100011218427 [0,1,0,0,0,1|1,0,1]=4 2952 B12R1.226 CC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218427 [0,1,0,0,0,1|1,0,1]=4 2953 B12R1.226 CC(O)CNc1cccc(c1)F 34a_100000210047_100011218427 [0,1,0,0,0,1|1,0,1]=4 2954 B12R1.226 CC(O)CNc1cccc(c1)I 34a_100000211102_100011218427 [0,1,0,0,0,1|1,0,1]=4 2955 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [0,1,0,0,0,1|1,0,1]=4 2956 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,1,0,0,0,1|1,0,1]=4 2957 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,1,0,0,0,1|1,0,1]=4 2958 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,1,0,0,0,1|1,0,1]=4 2959 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,1,0,0,0,1|1,0,1]=4 2960 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,1,0,0,0,1|1,0,1]=4 2961 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,1,0,0,0,1|1,0,1]=4 2962 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,1,0,0,0,1|1,0,1]=4 2963 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,1,0,0,0,1|1,0,1]=4 2964 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,1,0,0,0,1|1,0,1]=4 2965 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100000691529_100011218427 [0,1,0,0,0,1|1,0,1]=4 2966 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100011218427_100000691529 [0,1,0,0,0,1|1,0,1]=4 2967 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218427 [0,1,0,0,0,1|1,0,1]=4 2968 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100011218427_100000699651 [0,1,0,0,0,1|1,0,1]=4 2969 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100000685547_100011218427 [0,1,0,0,0,1|1,0,1]=4 2970 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100011218427_100000685547 [0,1,0,0,0,1|1,0,1]=4 2971 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [0,1,0,0,0,1|1,0,1]=4 2972 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [0,1,0,0,0,1|1,0,1]=4 2973 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [0,1,0,0,0,1|1,0,1]=4 2974 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_100011218427_114929384022 [0,1,0,0,0,1|1,0,1]=4 2975 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218427 [0,1,0,0,0,1|1,0,1]=4 2976 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 34a_100000210019_100009817552 [0,1,0,0,0,1|1,0,1]=4 2977 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009817552 [0,1,0,0,0,1|1,0,1]=4 2978 B12R1.226 C[C@@H](O)CNc1cccc(c1)F 34a_100000210047_100009817552 [0,1,0,0,0,1|1,0,1]=4 2979 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 34a_100000211102_100009817552 [0,1,0,0,0,1|1,0,1]=4 2980 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [0,1,0,0,0,1|1,0,1]=4 2981 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,1,0,0,0,1|1,0,1]=4 2982 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,1,0,0,0,1|1,0,1]=4 2983 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,1,0,0,0,1|1,0,1]=4 2984 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,1,0,0,0,1|1,0,1]=4 2985 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,1,0,0,0,1|1,0,1]=4 2986 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,1,0,0,0,1|1,0,1]=4 2987 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,1,0,0,0,1|1,0,1]=4 2988 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,1,0,0,0,1|1,0,1]=4 2989 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,1,0,0,0,1|1,0,1]=4 2990 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100000691529_100009817552 [0,1,0,0,0,1|1,0,1]=4 2991 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100009817552_100000691529 [0,1,0,0,0,1|1,0,1]=4 2992 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009817552 [0,1,0,0,0,1|1,0,1]=4 2993 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100009817552_100000699651 [0,1,0,0,0,1|1,0,1]=4 2994 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100000685547_100009817552 [0,1,0,0,0,1|1,0,1]=4 2995 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100009817552_100000685547 [0,1,0,0,0,1|1,0,1]=4 2996 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [0,1,0,0,0,1|1,0,1]=4 2997 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [0,1,0,0,0,1|1,0,1]=4 2998 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [0,1,0,0,0,1|1,0,1]=4 2999 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_100009817552_114929384022 [0,1,0,0,0,1|1,0,1]=4 3000 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009817552 [0,1,0,0,0,1|1,0,1]=4 3001 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100000747473_100009996589 [0,1,0,0,0,1|2,0,0]=4 3002 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100009996589_100000747473 [0,1,0,0,0,1|2,0,0]=4 3003 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100009996589_100020667443 [0,1,0,0,0,1|1,0,1]=4 3004 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100020667443_100009996589 [0,1,0,0,0,1|1,0,1]=4 3005 B12R1.226 Cc1cc(ccn1)OCC(=O)N 34a_100000688365_100000187820 [0,1,0,0,0,1|2,0,0]=4 3006 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,1,0,0,0,1|1,0,1]=4 3007 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000747473_100000758586 [0,1,0,0,0,1|2,0,0]=4 3008 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000758586_100000747473 [0,1,0,0,0,1|2,0,0]=4 3009 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100000758586_100020667443 [0,1,0,0,0,1|1,0,1]=4 3010 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000758586 [0,1,0,0,0,1|1,0,1]=4 3011 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,1,0,0,0,1|1,0,1]=4 3012 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,0,0,0,1|1,0,1]=4 3013 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,1|1,0,0]=3 3014 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,0,1|1,0,0]=3 3015 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,0,1|1,0,0]=3 3016 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,0,1|0,0,1]=3 3017 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [0,1,0,0,0,1|1,0,1]=4 3018 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [0,1,0,0,0,1|1,0,1]=4 3019 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [0,1,0,0,0,1|1,0,1]=4 3020 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [0,1,0,0,0,1|1,0,1]=4 3021 B12R1.226 Cc1cccc(c1)NC[N+](=O)[O-] 34a_100000188690_100000761209 [0,1,0,0,0,1|1,0,1]=4 3022 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,0,1|1,0,0]=3 3023 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,0,1|1,0,0]=3 3024 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,1|1,0,0]=3 3025 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,0,1|0,0,1]=3 3026 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,1,0,0,0,1|1,0,1]=4 3027 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,1,0,0,0,1|1,0,1]=4 3028 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,1,0,0,0,1|1,0,1]=4 3029 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,1,0,0,0,1|1,0,1]=4 3030 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,1,0,0,0,1|1,0,1]=4 3031 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,0,1|1,0,0]=3 3032 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,0,1|1,0,0]=3 3033 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,0,1|0,0,1]=3 3034 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,0,1|0,0,1]=3 3035 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [0,1,0,0,0,1|1,0,1]=4 3036 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [0,1,0,0,0,1|1,0,1]=4 3037 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [0,1,0,0,0,1|1,0,1]=4 3038 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [0,1,0,0,0,1|1,0,1]=4 3039 B12R1.226 Cc1cccc(c1)SC[N+](=O)[O-] 62a_100011215228_100000761209 [0,1,0,0,0,1|1,0,1]=4 3040 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000742759_100000747473 [0,1,0,0,0,1|2,0,0]=4 3041 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000747473_100000742759 [0,1,0,0,0,1|2,0,0]=4 3042 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100000742759_100020667443 [0,1,0,0,0,1|1,0,1]=4 3043 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000742759 [0,1,0,0,0,1|1,0,1]=4 3044 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000747473_100000750283 [0,1,0,0,0,1|2,0,0]=4 3045 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000750283_100000747473 [0,1,0,0,0,1|2,0,0]=4 3046 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100000750283_100020667443 [0,1,0,0,0,1|1,0,1]=4 3047 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100000750283 [0,1,0,0,0,1|1,0,1]=4 3048 B12R1.226 Cc1cncc(c1)OCC(=O)N 34a_100011830280_100000187820 [0,1,0,0,0,1|2,0,0]=4 3049 B12R1.226 Cc1cncc(c1)OCC(=O)N 7a_100011830280_100000187820 [0,1,0,0,0,1|2,0,0]=4 3050 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,1,0,0,0,1|1,0,1]=4 3051 B12R1.226 Cc1cncc(c1)SCC(=O)N 62a_100000747473_100000760492 [0,1,0,0,0,1|2,0,0]=4 3052 B12R1.226 Cc1cncc(c1)SCC(=O)N 62a_100000760492_100000747473 [0,1,0,0,0,1|2,0,0]=4 3053 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100000760492_100020667443 [0,1,0,0,0,1|1,0,1]=4 3054 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100020667443_100000760492 [0,1,0,0,0,1|1,0,1]=4 3055 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,1|1,0,0]=3 3056 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,0,1|1,0,0]=3 3057 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,0,1|1,0,0]=3 3058 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,0,1|1,0,0]=3 3059 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,0,1|1,0,0]=3 3060 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,0,1|1,0,0]=3 3061 B12R1.226 NC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000187820 [0,1,0,0,0,1|2,0,0]=4 3062 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000187820 [0,1,0,0,0,1|2,0,0]=4 3063 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000187820 [0,1,0,0,0,1|2,0,0]=4 3064 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [0,1,0,0,0,1|2,0,0]=4 3065 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,0,1|1,0,0]=3 3066 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,0,1|1,0,0]=3 3067 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,0,1|1,0,0]=3 3068 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,0,1|1,0,0]=3 3069 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,0,1|1,0,0]=3 3070 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,0,1|1,0,0]=3 3071 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,0,1|1,0,0]=3 3072 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,0,1|1,0,0]=3 3073 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,0,1|1,0,0]=3 3074 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,0,1|1,0,0]=3 3075 B12R1.226 NC(=O)COc1cccc(n1)F 34a_100011432558_100000187820 [0,1,0,0,0,1|2,0,0]=4 3076 B12R1.226 NC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000187820 [0,1,0,0,0,1|2,0,0]=4 3077 B12R1.226 NC(=O)COc1ccnc(c1)F 34a_100000732698_100000187820 [0,1,0,0,0,1|2,0,0]=4 3078 B12R1.226 NC(=O)COc1ccnc(c1)N 34a_100011834064_100000187820 [0,1,0,0,0,1|2,0,0]=4 3079 B12R1.226 NC(=O)COc1cncc(c1)Br 34a_100000754920_100000187820 [0,1,0,0,0,1|2,0,0]=4 3080 B12R1.226 NC(=O)COc1cncc(c1)Br 7a_100000754920_100000187820 [0,1,0,0,0,1|2,0,0]=4 3081 B12R1.226 NC(=O)COc1cncc(c1)Cl 7a_100000032511_100000187820 [0,1,0,0,0,1|2,0,0]=4 3082 B12R1.226 NC(=O)COc1cncc(c1)F 34a_100011830296_100000187820 [0,1,0,0,0,1|2,0,0]=4 3083 B12R1.226 NC(=O)COc1cncc(c1)F 7a_100011830296_100000187820 [0,1,0,0,0,1|2,0,0]=4 3084 B12R1.226 NC(=O)COc1cncc(c1)N 34a_100011997051_100000187820 [0,1,0,0,0,1|2,0,0]=4 3085 B12R1.226 NC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747473 [0,1,0,0,0,1|2,0,0]=4 3086 B12R1.226 NC(=O)CSc1cc(ccn1)Cl 62a_100000747473_100010167805 [0,1,0,0,0,1|2,0,0]=4 3087 B12R1.226 NC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747473 [0,1,0,0,0,1|2,0,0]=4 3088 B12R1.226 NC(=O)CSc1cc(ccn1)F 62a_100000747473_100000764206 [0,1,0,0,0,1|2,0,0]=4 3089 B12R1.226 NC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747473 [0,1,0,0,0,1|2,0,0]=4 3090 B12R1.226 NC(=O)CSc1cc(ccn1)N 62a_100000747473_100009814236 [0,1,0,0,0,1|2,0,0]=4 3091 B12R1.226 NC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747473 [0,1,0,0,0,1|2,0,0]=4 3092 B12R1.226 NC(=O)CSc1cc(ccn1)O 62a_100000747473_100000762945 [0,1,0,0,0,1|2,0,0]=4 3093 B12R1.226 NC(=O)CSc1cc[nH]c(=O)c1 62a_100000747473_100009816521 [0,1,0,0,0,1|2,0,0]=4 3094 B12R1.226 NC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000747473 [0,1,0,0,0,1|2,0,0]=4 3095 B12R1.226 NC(=O)CSc1ccc[n+](c1)[O-] 62a_100000747473_100009815978 [0,1,0,0,0,1|2,0,0]=4 3096 B12R1.226 NC(=O)CSc1cccc(=O)[nH]1 62a_100000747473_100000752884 [0,1,0,0,0,1|2,0,0]=4 3097 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,0,1|1,0,0]=3 3098 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,0,1|1,0,0]=3 3099 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,0,1|1,0,0]=3 3100 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,0,1|1,0,0]=3 3101 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,0,1|1,0,0]=3 3102 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,0,1|1,0,0]=3 3103 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,0,1|1,0,0]=3 3104 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,0,1|1,0,0]=3 3105 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,0,1|1,0,0]=3 3106 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,0,1|1,0,0]=3 3107 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,0,1|1,0,0]=3 3108 B12R1.226 NC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747473 [0,1,0,0,0,1|2,0,0]=4 3109 B12R1.226 NC(=O)CSc1cccc(n1)Br 62a_100000747473_100000684672 [0,1,0,0,0,1|2,0,0]=4 3110 B12R1.226 NC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747473 [0,1,0,0,0,1|2,0,0]=4 3111 B12R1.226 NC(=O)CSc1cccc(n1)Cl 62a_100000747473_100000051397 [0,1,0,0,0,1|2,0,0]=4 3112 B12R1.226 NC(=O)CSc1cccc(n1)F 62a_100000747473_100009815982 [0,1,0,0,0,1|2,0,0]=4 3113 B12R1.226 NC(=O)CSc1cccc(n1)F 62a_100009815982_100000747473 [0,1,0,0,0,1|2,0,0]=4 3114 B12R1.226 NC(=O)CSc1cccc(n1)N 62a_100000740741_100000747473 [0,1,0,0,0,1|2,0,0]=4 3115 B12R1.226 NC(=O)CSc1cccc(n1)N 62a_100000747473_100000740741 [0,1,0,0,0,1|2,0,0]=4 3116 B12R1.226 NC(=O)CSc1ccnc(c1)Br 62a_100000747473_100009814637 [0,1,0,0,0,1|2,0,0]=4 3117 B12R1.226 NC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000747473 [0,1,0,0,0,1|2,0,0]=4 3118 B12R1.226 NC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000747473 [0,1,0,0,0,1|2,0,0]=4 3119 B12R1.226 NC(=O)CSc1ccnc(c1)Cl 62a_100000747473_100000035001 [0,1,0,0,0,1|2,0,0]=4 3120 B12R1.226 NC(=O)CSc1ccnc(c1)F 62a_100000747473_100009816116 [0,1,0,0,0,1|2,0,0]=4 3121 B12R1.226 NC(=O)CSc1ccnc(c1)F 62a_100009816116_100000747473 [0,1,0,0,0,1|2,0,0]=4 3122 B12R1.226 NC(=O)CSc1ccnc(c1)N 62a_100000049665_100000747473 [0,1,0,0,0,1|2,0,0]=4 3123 B12R1.226 NC(=O)CSc1ccnc(c1)N 62a_100000747473_100000049665 [0,1,0,0,0,1|2,0,0]=4 3124 B12R1.226 NC(=O)CSc1cncc(c1)Br 62a_100000728054_100000747473 [0,1,0,0,0,1|2,0,0]=4 3125 B12R1.226 NC(=O)CSc1cncc(c1)Br 62a_100000747473_100000728054 [0,1,0,0,0,1|2,0,0]=4 3126 B12R1.226 NC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000747473 [0,1,0,0,0,1|2,0,0]=4 3127 B12R1.226 NC(=O)CSc1cncc(c1)Cl 62a_100000747473_100000049639 [0,1,0,0,0,1|2,0,0]=4 3128 B12R1.226 NC(=O)CSc1cncc(c1)F 62a_100000744099_100000747473 [0,1,0,0,0,1|2,0,0]=4 3129 B12R1.226 NC(=O)CSc1cncc(c1)F 62a_100000747473_100000744099 [0,1,0,0,0,1|2,0,0]=4 3130 B12R1.226 NC(=O)CSc1cncc(c1)N 62a_100000687067_100000747473 [0,1,0,0,0,1|2,0,0]=4 3131 B12R1.226 NC(=O)CSc1cncc(c1)N 62a_100000747473_100000687067 [0,1,0,0,0,1|2,0,0]=4 3132 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000747473_100000754920 [0,1,0,0,0,1|2,0,0]=4 3133 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000754920_100000747473 [0,1,0,0,0,1|2,0,0]=4 3134 B12R1.226 Nc1cc(ccn1)OCC(=O)[O-] 34a_100011834064_100020667443 [0,1,0,0,0,1|1,0,1]=4 3135 B12R1.226 Nc1cc(ccn1)SCC(=O)[O-] 62a_100000049665_100020667443 [0,1,0,0,0,1|1,0,1]=4 3136 B12R1.226 Nc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000049665 [0,1,0,0,0,1|1,0,1]=4 3137 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,0,1|0,0,1]=3 3138 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,1,0,0,0,1|1,0,1]=4 3139 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,0,1|0,0,1]=3 3140 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,0,1|0,0,1]=3 3141 B12R1.226 Nc1cccc(c1)SC[N+](=O)[O-] 62a_100000210019_100000761209 [0,1,0,0,0,1|1,0,1]=4 3142 B12R1.226 Nc1cccc(n1)SCC(=O)[O-] 62a_100000740741_100020667443 [0,1,0,0,0,1|1,0,1]=4 3143 B12R1.226 Nc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000740741 [0,1,0,0,0,1|1,0,1]=4 3144 B12R1.226 Nc1ccnc(c1)SCC(=O)[O-] 62a_100009814236_100020667443 [0,1,0,0,0,1|1,0,1]=4 3145 B12R1.226 Nc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100009814236 [0,1,0,0,0,1|1,0,1]=4 3146 B12R1.226 Nc1cncc(c1)OCC(=O)[O-] 34a_100011997051_100020667443 [0,1,0,0,0,1|1,0,1]=4 3147 B12R1.226 Nc1cncc(c1)SCC(=O)[O-] 62a_100000687067_100020667443 [0,1,0,0,0,1|1,0,1]=4 3148 B12R1.226 Nc1cncc(c1)SCC(=O)[O-] 62a_100020667443_100000687067 [0,1,0,0,0,1|1,0,1]=4 3149 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,0,1|0,0,1]=3 3150 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,0,1|0,0,1]=3 3151 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,0,1|0,0,1]=3 3152 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,0,1|0,0,1]=3 3153 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,0,1|0,0,1]=3 3154 B12R1.226 O=C([O-])COc1cc[nH]c(=O)c1 34a_100000032262_100020667443 [0,1,0,0,0,1|1,0,1]=4 3155 B12R1.226 O=C([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100020667443 [0,1,0,0,0,1|1,0,1]=4 3156 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [0,1,0,0,0,1|1,0,1]=4 3157 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,0,1|0,0,1]=3 3158 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,0,1|0,0,1]=3 3159 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,0,1|0,0,1]=3 3160 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,0,1|0,0,1]=3 3161 B12R1.226 O=C([O-])COc1cccc(n1)F 34a_100011432558_100020667443 [0,1,0,0,0,1|1,0,1]=4 3162 B12R1.226 O=C([O-])COc1ccnc(c1)Cl 34a_100000762945_100020667443 [0,1,0,0,0,1|1,0,1]=4 3163 B12R1.226 O=C([O-])COc1ccnc(c1)F 34a_100000732698_100020667443 [0,1,0,0,0,1|1,0,1]=4 3164 B12R1.226 O=C([O-])COc1cncc(c1)Br 34a_100000754920_100020667443 [0,1,0,0,0,1|1,0,1]=4 3165 B12R1.226 O=C([O-])COc1cncc(c1)F 34a_100011830296_100020667443 [0,1,0,0,0,1|1,0,1]=4 3166 B12R1.226 O=C([O-])CSc1cc(=O)cc[nH]1 62a_100009817434_100020667443 [0,1,0,0,0,1|1,0,1]=4 3167 B12R1.226 O=C([O-])CSc1cc(ccn1)Cl 62a_100010167805_100020667443 [0,1,0,0,0,1|1,0,1]=4 3168 B12R1.226 O=C([O-])CSc1cc(ccn1)Cl 62a_100020667443_100010167805 [0,1,0,0,0,1|1,0,1]=4 3169 B12R1.226 O=C([O-])CSc1cc(ccn1)F 62a_100000764206_100020667443 [0,1,0,0,0,1|1,0,1]=4 3170 B12R1.226 O=C([O-])CSc1cc(ccn1)F 62a_100020667443_100000764206 [0,1,0,0,0,1|1,0,1]=4 3171 B12R1.226 O=C([O-])CSc1cc(ccn1)O 62a_100020667443_100000762945 [0,1,0,0,0,1|1,0,1]=4 3172 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)c1 62a_100009816521_100020667443 [0,1,0,0,0,1|1,0,1]=4 3173 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)c1 62a_100020667443_100009816521 [0,1,0,0,0,1|1,0,1]=4 3174 B12R1.226 O=C([O-])CSc1ccc[n+](c1)[O-] 62a_100020667443_100009815978 [0,1,0,0,0,1|1,0,1]=4 3175 B12R1.226 O=C([O-])CSc1cccc(=O)[nH]1 62a_100020667443_100000752884 [0,1,0,0,0,1|1,0,1]=4 3176 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,0,1|0,0,1]=3 3177 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,0,1|0,0,1]=3 3178 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,0,1|0,0,1]=3 3179 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,0,1|0,0,1]=3 3180 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,0,1|0,0,1]=3 3181 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,0,1|0,0,1]=3 3182 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,0,1|0,0,1]=3 3183 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,0,1|0,0,1]=3 3184 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,0,1|0,0,1]=3 3185 B12R1.226 O=C([O-])CSc1cccc(n1)Br 62a_100000684672_100020667443 [0,1,0,0,0,1|1,0,1]=4 3186 B12R1.226 O=C([O-])CSc1cccc(n1)Br 62a_100020667443_100000684672 [0,1,0,0,0,1|1,0,1]=4 3187 B12R1.226 O=C([O-])CSc1cccc(n1)Cl 62a_100000051397_100020667443 [0,1,0,0,0,1|1,0,1]=4 3188 B12R1.226 O=C([O-])CSc1cccc(n1)Cl 62a_100020667443_100000051397 [0,1,0,0,0,1|1,0,1]=4 3189 B12R1.226 O=C([O-])CSc1cccc(n1)F 62a_100009815982_100020667443 [0,1,0,0,0,1|1,0,1]=4 3190 B12R1.226 O=C([O-])CSc1cccc(n1)F 62a_100020667443_100009815982 [0,1,0,0,0,1|1,0,1]=4 3191 B12R1.226 O=C([O-])CSc1ccnc(c1)Br 62a_100009814637_100020667443 [0,1,0,0,0,1|1,0,1]=4 3192 B12R1.226 O=C([O-])CSc1ccnc(c1)Br 62a_100020667443_100009814637 [0,1,0,0,0,1|1,0,1]=4 3193 B12R1.226 O=C([O-])CSc1ccnc(c1)Cl 62a_100000035001_100020667443 [0,1,0,0,0,1|1,0,1]=4 3194 B12R1.226 O=C([O-])CSc1ccnc(c1)Cl 62a_100020667443_100000035001 [0,1,0,0,0,1|1,0,1]=4 3195 B12R1.226 O=C([O-])CSc1ccnc(c1)F 62a_100009816116_100020667443 [0,1,0,0,0,1|1,0,1]=4 3196 B12R1.226 O=C([O-])CSc1ccnc(c1)F 62a_100020667443_100009816116 [0,1,0,0,0,1|1,0,1]=4 3197 B12R1.226 O=C([O-])CSc1cncc(c1)Br 62a_100000728054_100020667443 [0,1,0,0,0,1|1,0,1]=4 3198 B12R1.226 O=C([O-])CSc1cncc(c1)Br 62a_100020667443_100000728054 [0,1,0,0,0,1|1,0,1]=4 3199 B12R1.226 O=C([O-])CSc1cncc(c1)Cl 62a_100000049639_100020667443 [0,1,0,0,0,1|1,0,1]=4 3200 B12R1.226 O=C([O-])CSc1cncc(c1)Cl 62a_100020667443_100000049639 [0,1,0,0,0,1|1,0,1]=4 3201 B12R1.226 O=C([O-])CSc1cncc(c1)F 62a_100000744099_100020667443 [0,1,0,0,0,1|1,0,1]=4 3202 B12R1.226 O=C([O-])CSc1cncc(c1)F 62a_100020667443_100000744099 [0,1,0,0,0,1|1,0,1]=4 3203 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100000754920_100020667443 [0,1,0,0,0,1|1,0,1]=4 3204 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100020667443_100000754920 [0,1,0,0,0,1|1,0,1]=4 3205 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Br 34a_100000210019_100000761209 [0,1,0,0,0,1|1,0,1]=4 3206 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Cl 34a_100000185859_100000761209 [0,1,0,0,0,1|1,0,1]=4 3207 B12R1.226 O=[N+]([O-])CNc1cccc(c1)F 34a_100000210047_100000761209 [0,1,0,0,0,1|1,0,1]=4 3208 B12R1.226 O=[N+]([O-])CNc1cccc(c1)I 34a_100000211102_100000761209 [0,1,0,0,0,1|1,0,1]=4 3209 B12R1.226 O=[N+]([O-])CNc1cccc(c1)O 34a_100000210217_100000761209 [0,1,0,0,0,1|1,0,1]=4 3210 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,1,0,0,0,1|1,0,1]=4 3211 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,1,0,0,0,1|1,0,1]=4 3212 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,1,0,0,0,1|1,0,1]=4 3213 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,1,0,0,0,1|1,0,1]=4 3214 B12R1.226 O=[N+]([O-])CSc1cccc(c1)Br 62a_100000691529_100000761209 [0,1,0,0,0,1|1,0,1]=4 3215 B12R1.226 O=[N+]([O-])CSc1cccc(c1)Cl 62a_100000699651_100000761209 [0,1,0,0,0,1|1,0,1]=4 3216 B12R1.226 O=[N+]([O-])CSc1cccc(c1)F 62a_100000685547_100000761209 [0,1,0,0,0,1|1,0,1]=4 3217 B12R1.226 O=[N+]([O-])CSc1cccc(c1)[S] 62a_114929384022_100000761209 [0,1,0,0,0,1|1,0,1]=4 3218 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,1,0,0,0,1|1,0,1]=4 3219 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,1,0,0,0,1|1,0,1]=4 3220 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,1,0,0,0,1|1,0,1]=4 3221 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,1,0,0,0,1|1,0,1]=4 3222 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,0,0,0,1|1,0,1]=4 3223 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,0,0,0,1|1,0,1]=4 3224 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,0,0,0,1|1,0,1]=4 3225 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,0,0,0,1|1,0,1]=4 3226 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,1|1,0,0]=3 3227 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,1|1,0,0]=3 3228 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,1|1,0,0]=3 3229 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,1|1,0,0]=3 3230 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,1|1,0,0]=3 3231 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,1|1,0,0]=3 3232 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,1|1,0,0]=3 3233 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,1|1,0,0]=3 3234 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,1|1,0,0]=3 3235 B12R1.891 CC(C)(O)CNc1ccccc1 34a_100000106764_100000764493 [0,1,0,0,0,1|1,0,1]=4 3236 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,1,0,0,0,1|1,0,1]=4 3237 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,1,0,0,0,1|1,0,1]=4 3238 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000719477_100000764493 [0,1,0,0,0,1|1,0,1]=4 3239 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000764493_100000041952 [0,1,0,0,0,1|1,0,1]=4 3240 B12R1.891 CS(=O)(=O)NCc1ccccc1 40a_100015324214_100000738038 [0,1,0,0,0,1|1,0,1]=4 3241 B12R1.891 NS(=O)(=O)CSc1ccccc1 62a_100000719477_100000741382 [0,1,0,0,0,1|1,0,1]=4 3242 B12R1.891 NS(=O)(=O)CSc1ccccc1 62a_100000741382_100000041952 [0,1,0,0,0,1|1,0,1]=4 3243 B12R1.891 O=S(=O)([O-])CNc1ccccc1 34a_100000106764_100009817235 [0,1,0,0,0,1|1,0,1]=4 3244 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,1,0,0,0,1|1,0,1]=4 3245 B12R1.891 O=S(=O)([O-])CSc1ccccc1 62a_100000719477_100009817235 [0,1,0,0,0,1|1,0,1]=4 3246 B12R1.891 O=S(=O)([O-])CSc1ccccc1 62a_100009817235_100000041952 [0,1,0,0,0,1|1,0,1]=4 3247 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,2,0,0,0,0|1,0,0]=3 3248 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,2,0,0,0,0|1,0,0]=3 3249 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,2,0,0,0,0|1,0,0]=3 3250 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,2,0,0,0,0|1,0,0]=3 3255 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,2,0,0,0,0|1,0,0]=3 3256 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,2,0,0,0,0|1,0,0]=3 3257 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,2,0,0,0,0|2,0,0]=4 3258 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,2,0,0,0,0|2,0,0]=4 3263 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,2,0,0,0,0|2,0,0]=4 3264 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,2,0,0,0,0|2,0,0]=4 3265 B12R1.4 C=Cc1ccc(cn1)CC(=O)N 271570a_100011290941_200000071513 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.4 C=Cc1ccc(nc1)CC(=O)N 271570a_100011290941_200010888337 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,2,0,0,0,0|1,0,0]=3 3268 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,2,0,0,0,0|1,0,0]=3 3269 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,2,0,0,0,0|1,0,0]=3 3270 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,2,0,0,0,0|1,0,0]=3 3271 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,2,0,0,0,0|1,0,0]=3 3272 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,2,0,0,0,0|1,0,0]=3 3273 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,2,0,0,0,0|1,0,0]=3 3274 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,2,0,0,0,0|1,0,0]=3 3275 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,2,0,0,0,0|1,0,0]=3 3276 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.4 CC(=O)Cc1ccc(nc1)C#N 1458a_100000070787_100009816919 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,2,0,0,0,0|1,0,0]=3 3288 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,2,0,0,0,0|1,0,0]=3 3289 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,2,0,0,0,0|1,0,0]=3 3290 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,2,0,0,0,0|1,0,0]=3 3295 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,2,0,0,0,0|1,0,0]=3 3296 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,2,0,0,0,0|1,0,0]=3 3298 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,2,0,0,0,0|1,0,0]=3 3299 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,2,0,0,0,0|1,0,0]=3 3300 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,2,0,0,0,0|1,0,0]=3 3301 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,2,0,0,0,0|1,0,0]=3 3302 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,2,0,0,0,0|1,0,0]=3 3315 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,2,0,0,0,0|1,0,0]=3 3316 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,2,0,0,0,0|1,0,0]=3 3317 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,2,0,0,0,0|1,0,0]=3 3318 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,2,0,0,0,0|1,0,0]=3 3319 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,2,0,0,0,0|1,0,0]=3 3320 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,2,0,0,0,0|1,0,0]=3 3321 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,2,0,0,0,0|1,0,0]=3 3333 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,2,0,0,0,0|1,0,0]=3 3334 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,2,0,0,0,0|1,0,0]=3 3335 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,2,0,0,0,0|1,0,0]=3 3336 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,2,0,0,0,0|1,0,0]=3 3337 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,2,0,0,0,0|1,0,0]=3 3338 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,2,0,0,0,0|1,0,0]=3 3339 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,2,0,0,0,0|1,0,0]=3 3346 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,2,0,0,0,0|1,0,0]=3 3347 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,2,0,0,0,0|1,0,0]=3 3348 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,2,0,0,0,0|1,0,0]=3 3349 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,2,0,0,0,0|1,0,0]=3 3350 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,2,0,0,0,0|1,0,0]=3 3351 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,2,0,0,0,0|1,0,0]=3 3352 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,2,0,0,0,0|1,0,0]=3 3353 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,2,0,0,0,0|1,0,0]=3 3354 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,2,0,0,0,0|1,0,0]=3 3355 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,2,0,0,0,0|1,0,0]=3 3356 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,2,0,0,0,0|1,0,0]=3 3357 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,2,0,0,0,0|1,0,0]=3 3358 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,2,0,0,0,0|1,0,0]=3 3359 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,2,0,0,0,0|1,0,0]=3 3360 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,2,0,0,0,0|1,0,0]=3 3361 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,2,0,0,0,0|1,0,0]=3 3362 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,2,0,0,0,0|1,0,0]=3 3363 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,2,0,0,0,0|1,0,0]=3 3364 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,2,0,0,0,0|1,0,0]=3 3365 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,2,0,0,0,0|1,0,0]=3 3366 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,2,0,0,0,0|1,0,0]=3 3367 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,2,0,0,0,0|1,0,0]=3 3368 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,2,0,0,0,0|1,0,0]=3 3369 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,2,0,0,0,0|1,0,0]=3 3370 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,2,0,0,0,0|1,0,0]=3 3371 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,2,0,0,0,0|1,0,0]=3 3372 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,2,0,0,0,0|1,0,0]=3 3373 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,2,0,0,0,0|1,0,0]=3 3374 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,2,0,0,0,0|1,0,0]=3 3375 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,2,0,0,0,0|1,0,0]=3 3376 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,2,0,0,0,0|1,0,0]=3 3377 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,2,0,0,0,0|1,0,0]=3 3378 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,2,0,0,0,0|1,0,0]=3 3379 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,2,0,0,0,0|1,0,0]=3 3380 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,2,0,0,0,0|1,0,0]=3 3381 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,2,0,0,0,0|1,0,0]=3 3382 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,2,0,0,0,0|1,0,0]=3 3383 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,2,0,0,0,0|1,0,0]=3 3384 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,2,0,0,0,0|1,0,0]=3 3385 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,2,0,0,0,0|1,0,0]=3 3386 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,2,0,0,0,0|1,0,0]=3 3387 B12R1.19 CC(=O)Cc1cnc(c(c1)Br)F 1458a_100000070787_200010066439 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.19 CC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000070787_100009843750 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.19 CC(=O)Cc1cnc(c(c1)I)Cl 1458a_100000070787_100011072623 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,2,0,0,0,0|2,0,0]=4 3450 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,2,0,0,0,0|2,0,0]=4 3473 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,2,0,0,0,0|2,0,0]=4 3474 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,2,0,0,0,0|1,0,0]=3 3504 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,2,0,0,0,0|1,0,0]=3 3505 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,2,0,0,0,0|1,0,0]=3 3506 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,2,0,0,0,0|1,0,0]=3 3508 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,2,0,0,0,0|1,0,0]=3 3509 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,2,0,0,0,0|1,0,0]=3 3510 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,2,0,0,0,0|1,0,0]=3 3511 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,2,0,0,0,0|1,0,0]=3 3512 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,2,0,0,0,0|1,0,0]=3 3513 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,2,0,0,0,0|1,0,0]=3 3514 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,2,0,0,0,0|1,0,0]=3 3515 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,2,0,0,0,0|1,0,0]=3 3516 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,2,0,0,0,0|1,0,0]=3 3518 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,2,0,0,0,0|1,0,0]=3 3519 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,2,0,0,0,0|1,0,0]=3 3520 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,2,0,0,0,0|1,0,0]=3 3523 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,2,0,0,0,0|1,0,0]=3 3524 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,2,0,0,0,0|1,0,0]=3 3525 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,2,0,0,0,0|1,0,0]=3 3526 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,2,0,0,0,0|1,0,0]=3 3527 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,2,0,0,0,0|1,0,0]=3 3528 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,2,0,0,0,0|1,0,0]=3 3529 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,2,0,0,0,0|1,0,0]=3 3530 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,2,0,0,0,0|1,0,0]=3 3531 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,2,0,0,0,0|1,0,0]=3 3532 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,2,0,0,0,0|1,0,0]=3 3533 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|1,0,0]=3 3534 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|1,0,0]=3 3535 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|1,0,0]=3 3536 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|1,0,0]=3 3555 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|1,0,0]=3 3556 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,2,0,0,0,0|1,0,0]=3 3557 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,2,0,0,0,0|1,0,0]=3 3558 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,2,0,0,0,0|1,0,0]=3 3559 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,2,0,0,0,0|1,0,0]=3 3560 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|1,0,0]=3 3561 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|1,0,1]=4 3562 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,2,0,0,0,0|1,0,0]=3 3563 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|1,0,0]=3 3564 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|1,0,0]=3 3565 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|1,0,0]=3 3566 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|1,0,0]=3 3567 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,2,0,0,0,0|1,0,0]=3 3568 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,2,0,0,0,0|1,0,0]=3 3569 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,2,0,0,0,0|1,0,0]=3 3570 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,2,0,0,0,0|1,0,0]=3 3571 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,2,0,0,0,0|1,0,0]=3 3572 B12R1.49 C#CC(=O)Cc1ccc(cn1)Br 1458a_100000211873_100000702658 [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.49 C#CC(=O)Cc1ccc(cn1)C 1458a_100000211873_100000691093 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.49 C#CC(=O)Cc1ccc(cn1)Cl 1458a_100000211873_100012066911 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.49 C#CC(=O)Cc1ccc(cn1)F 1458a_100000211873_100000703193 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.49 C#CC(=O)Cc1ccc(nc1)Br 1458a_100000211873_100009831999 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.49 C#CC(=O)Cc1ccc(nc1)C 1458a_100000211873_100016987292 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.49 C#CC(=O)Cc1ccc(nc1)Cl 1458a_100000211873_100000735431 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.49 C#CC(=O)Cc1ccc(nc1)F 1458a_100000211873_100009820150 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|1,0,0]=3 3581 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|1,0,0]=3 3582 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|1,0,0]=3 3583 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|1,0,0]=3 3584 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|1,0,0]=3 3585 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,2,0,0,0,0|2,0,0]=4 3602 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,2,0,0,0,0|2,0,0]=4 3603 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,2,0,0,0,0|1,0,1]=4 3605 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,2,0,0,0,0|1,0,1]=4 3606 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,2,0,0,0,0|1,0,0]=3 3607 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,2,0,0,0,0|1,0,0]=3 3608 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,2,0,0,0,0|1,0,0]=3 3610 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,2,0,0,0,0|1,0,0]=3 3611 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,2,0,0,0,0|1,0,0]=3 3612 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,2,0,0,0,0|1,0,0]=3 3613 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,2,0,0,0,0|1,0,0]=3 3614 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,2,0,0,0,0|1,0,0]=3 3615 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,2,0,0,0,0|1,0,0]=3 3616 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3617 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.49 CCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210202 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|1,0,0]=3 3655 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|1,0,0]=3 3656 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|1,0,0]=3 3657 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|1,0,0]=3 3658 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|1,0,0]=3 3659 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|1,0,0]=3 3660 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|1,0,0]=3 3661 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|1,0,0]=3 3662 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|1,0,0]=3 3663 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|1,0,0]=3 3664 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 3665 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 3666 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 3667 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|1,0,0]=3 3668 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 3669 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 3670 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 3671 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 3672 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 3673 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|1,0,0]=3 3674 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 3675 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,2,0,0,0,0|0,0,0]=2 3706 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,2,0,0,0,0|1,0,0]=3 3707 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,2,0,0,0,0|1,0,0]=3 3708 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,2,0,0,0,0|1,0,0]=3 3710 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,2,0,0,0,0|1,0,1]=4 3712 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,2,0,0,0,0|1,0,1]=4 3713 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|0,0,0]=2 3715 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,2,0,0,0,0|1,0,0]=3 3716 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,2,0,0,0,0|1,0,0]=3 3717 B12R1.49 Cc1ccc(cn1)CC(=O)CF 1458a_100000740413_100015361967 [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,2,0,0,0,0|1,0,0]=3 3719 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,2,0,0,0,0|1,0,0]=3 3721 B12R1.49 Cc1cnc(cn1)CC(=O)CO 1458a_100000210174_100000752025 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.49 Cc1cnc(nc1)CC(=O)CO 1458a_100000210174_100000685645 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,2,0,0,0,0|1,0,0]=3 3724 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,2,0,0,0,0|1,0,0]=3 3725 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,2,0,0,0,0|1,0,0]=3 3726 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,2,0,0,0,0|1,0,0]=3 3727 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,2,0,0,0,0|1,0,0]=3 3728 B12R1.49 O=C(CF)Cc1ccc(cn1)Br 1458a_100020629044_100015361967 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.49 O=C(CF)Cc1ccc(cn1)Cl 1458a_100000728320_100015361967 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.49 O=C(CF)Cc1ccc(nc1)Br 1458a_100010067268_100015361967 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.49 O=C(CF)Cc1ccc(nc1)Cl 1458a_100000061944_100015361967 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.49 O=C(CF)Cn1ccc(=O)cc1 1458a_200000238563_100015361967 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|0,0,0]=2 3734 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|0,0,0]=2 3735 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|0,0,0]=2 3736 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|0,0,0]=2 3737 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,2,0,0,0,0|1,0,0]=3 3738 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,2,0,0,0,0|1,0,0]=3 3739 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,2,0,0,0,0|1,0,0]=3 3740 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,2,0,0,0,0|1,0,0]=3 3741 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,2,0,0,0,0|1,0,0]=3 3742 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,2,0,0,0,0|1,0,0]=3 3743 B12R1.49 O=C(CO)Cc1ccc(nn1)Cl 1458a_100000210174_100016992710 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.49 O=C(CO)Cc1ncc(cn1)Br 1458a_100000210174_100010064664 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,2,0,0,0,0|1,0,0]=3 3746 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,2,0,0,0,0|1,0,0]=3 3747 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,2,0,0,0,0|1,0,0]=3 3748 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,2,0,0,0,0|1,0,0]=3 3749 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,2,0,0,0,0|1,0,0]=3 3750 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,2,0,0,0,0|1,0,0]=3 3751 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,2,0,0,0,0|1,0,0]=3 3752 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,2,0,0,0,0|1,0,0]=3 3753 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|1,0,0]=3 3754 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [0,2,0,0,0,0|1,0,1]=4 3755 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [0,2,0,0,0,0|1,0,1]=4 3756 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,2,0,0,0,0|1,0,0]=3 3757 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,2,0,0,0,0|1,0,0]=3 3758 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,2,0,0,0,0|1,0,0]=3 3759 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,2,0,0,0,0|1,0,0]=3 3760 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,2,0,0,0,0|1,0,0]=3 3761 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,2,0,0,0,0|1,0,0]=3 3763 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,2,0,0,0,0|1,0,0]=3 3764 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,2,0,0,0,0|1,0,0]=3 3765 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,2,0,0,0,0|1,0,0]=3 3766 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,2,0,0,0,0|1,0,0]=3 3767 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,2,0,0,0,0|1,0,0]=3 3768 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,2,0,0,0,0|1,0,0]=3 3769 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,2,0,0,0,0|1,0,0]=3 3770 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,2,0,0,0,0|1,0,0]=3 3771 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,2,0,0,0,0|1,0,0]=3 3772 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,2,0,0,0,0|1,0,0]=3 3773 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,2,0,0,0,0|1,0,0]=3 3774 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,2,0,0,0,0|1,0,0]=3 3775 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,2,0,0,0,0|1,0,0]=3 3776 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,2,0,0,0,0|1,0,0]=3 3777 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,2,0,0,0,0|1,0,0]=3 3778 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,2,0,0,0,0|1,0,0]=3 3779 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,2,0,0,0,0|1,0,0]=3 3780 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,2,0,0,0,0|1,0,0]=3 3781 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,2,0,0,0,0|1,0,0]=3 3782 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,2,0,0,0,0|1,0,0]=3 3783 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,2,0,0,0,0|1,0,0]=3 3784 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,2,0,0,0,0|1,0,0]=3 3785 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,2,0,0,0,0|1,0,0]=3 3786 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,2,0,0,0,0|1,0,0]=3 3787 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,2,0,0,0,0|1,0,0]=3 3788 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,2,0,0,0,0|1,0,0]=3 3789 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,2,0,0,0,0|2,0,0]=4 3794 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_100000070787_100000722033 [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200000210301 [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.233 CC(=O)Cc1cnc(cc1C)F 1458a_100000070787_100010382440 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.233 CC(=O)Cc1cnc(cc1Cl)Cl 1458a_100000070787_100011997056 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.233 CC(=O)Cn1ccc(cc1=O)C 1458a_100000721392_200000210301 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,2,0,0,0,0|2,0,0]=4 3832 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,2,0,0,0,0|2,0,0]=4 3881 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,2,0,0,0,0|2,0,0]=4 3882 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,2,0,0,0,0|2,0,0]=4 3884 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,2,0,0,0,0|2,0,0]=4 3885 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,2,0,0,0,0|1,0,0]=3 3902 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,2,0,0,0,0|1,0,0]=3 3903 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,2,0,0,0,0|1,0,0]=3 3904 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,2,0,0,0,0|1,0,0]=3 3905 B12R1.233 Cc1ccn(c(=O)c1)CC(=O)[13CH3] 1458a_100000721392_200025704644 [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,2,0,0,0,0|1,0,0]=3 3907 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,2,0,0,0,0|1,0,0]=3 3908 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,2,0,0,0,0|1,0,0]=3 3909 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,2,0,0,0,0|1,0,0]=3 3910 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,2,0,0,0,0|1,0,0]=3 3911 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,2,0,0,0,0|1,0,0]=3 3912 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,2,0,0,0,0|1,0,0]=3 3913 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,2,0,0,0,0|1,0,0]=3 3914 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,2,0,0,0,0|1,0,0]=3 3915 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,2,0,0,0,0|1,0,0]=3 3916 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,2,0,0,0,0|1,0,0]=3 3917 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.233 [13CH3]C(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200025704644 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,2,0,0,0,0|1,0,0]=3 3923 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,2,0,0,0,0|1,0,1]=4 3924 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,2,0,0,0,0|1,0,1]=4 3925 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,2,0,0,0,0|1,0,1]=4 3926 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.34 CC(C(=O)CF)c1ccccn1 1458a_100000722050_100015361967 [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,2,0,0,0,0|0,0,0]=2 3931 B12R1.34 CC(C(=O)CO)c1cnccn1 1458a_100000210174_200000703233 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,2,0,0,0,0|1,0,0]=3 3933 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,2,0,0,0,0|1,0,0]=3 3939 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,2,0,0,0,0|1,0,0]=3 3940 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,2,0,0,0,0|1,0,0]=3 3941 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,2,0,0,0,0|1,0,0]=3 3946 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,2,0,0,0,0|1,0,0]=3 3947 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,2,0,0,0,0|1,0,0]=3 3948 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,2,0,0,0,0|1,0,0]=3 3949 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,2,0,0,0,0|1,0,0]=3 3951 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,2,0,0,0,0|1,0,0]=3 3952 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,2,0,0,0,0|1,0,0]=3 3953 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,2,0,0,0,0|1,0,0]=3 3954 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,2,0,0,0,0|1,0,0]=3 3955 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,2,0,0,0,0|1,0,1]=4 3956 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,2,0,0,0,0|1,0,0]=3 3957 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,2,0,0,0,0|1,0,1]=4 3958 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,2,0,0,0,0|1,0,0]=3 3959 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,2,0,0,0,0|1,0,0]=3 3962 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,2,0,0,0,0|1,0,0]=3 3963 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,2,0,0,0,0|1,0,0]=3 3964 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,2,0,0,0,0|1,0,0]=3 3965 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,2,0,0,0,0|1,0,0]=3 3966 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,2,0,0,0,0|1,0,0]=3 3967 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,2,0,0,0,0|2,0,0]=4 3971 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,2,0,0,0,0|2,0,0]=4 3978 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,2,0,0,0,0|2,0,0]=4 3979 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,2,0,0,0,0|1,0,0]=3 3980 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,2,0,0,0,0|1,0,0]=3 3981 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,2,0,0,0,0|1,0,0]=3 3982 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,2,0,0,0,0|1,0,0]=3 3983 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,2,0,0,0,0|1,0,0]=3 3984 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,2,0,0,0,0|1,0,0]=3 3985 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,2,0,0,0,0|1,0,0]=3 3986 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,2,0,0,0,0|1,0,0]=3 3987 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,2,0,0,0,0|1,0,0]=3 3988 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,2,0,0,0,0|1,0,0]=3 3989 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,2,0,0,0,0|1,0,0]=3 3990 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,2,0,0,0,0|2,0,0]=4 3991 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,2,0,0,0,0|2,0,0]=4 3992 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,2,0,0,0,0|2,0,0]=4 3996 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,2,0,0,0,0|2,0,0]=4 3997 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,2,0,0,0,0|1,0,0]=3 4008 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,2,0,0,0,0|1,0,0]=3 4009 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,2,0,0,0,0|1,0,0]=3 4010 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,2,0,0,0,0|1,0,0]=3 4011 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,2,0,0,0,0|1,0,0]=3 4012 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,2,0,0,0,0|1,0,0]=3 4013 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,2,0,0,0,0|1,0,0]=3 4014 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,2,0,0,0,0|1,0,0]=3 4015 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,2,0,0,0,0|1,0,0]=3 4016 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4017 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,2,0,0,0,0|1,0,0]=3 4018 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4020 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,2,0,0,0,0|1,0,0]=3 4021 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,2,0,0,0,0|2,0,0]=4 4022 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,2,0,0,0,0|1,0,0]=3 4026 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,2,0,0,0,0|1,0,0]=3 4027 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,2,0,0,0,0|1,0,0]=3 4028 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,2,0,0,0,0|1,0,0]=3 4029 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,2,0,0,0,0|1,0,0]=3 4030 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|1,0,0]=3 4034 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|1,0,0]=3 4035 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|1,0,0]=3 4036 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|1,0,0]=3 4037 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|0,0,0]=2 4038 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,2,0,0,0,0|1,0,0]=3 4039 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|1,0,0]=3 4040 B12R1.478 CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200000210301 [0,2,0,0,0,0|0,0,2]=4 4041 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,2,0,0,0,0|1,0,1]=4 4042 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|1,0,0]=3 4043 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|1,0,0]=3 4044 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|1,0,0]=3 4045 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|1,0,0]=3 4046 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,2,0,0,0,0|1,0,0]=3 4047 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,2,0,0,0,0|1,0,0]=3 4048 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,2,0,0,0,0|1,0,0]=3 4049 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,2,0,0,0,0|1,0,0]=3 4050 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,2,0,0,0,0|1,0,1]=4 4051 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,2,0,0,0,0|1,0,0]=3 4052 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|0,0,0]=2 4053 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,2,0,0,0,0|1,0,0]=3 4054 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|1,0,0]=3 4055 B12R1.478 [13CH3]N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200025704644 [0,2,0,0,0,0|0,0,2]=4 4056 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|1,0,0]=3 4057 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|1,0,0]=3 4058 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,2,0,0,0,0|1,0,0]=3 4059 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,2,0,0,0,0|1,0,0]=3 4060 B12R1.32 C#CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000184674 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,2,0,0,0,0|1,0,0]=3 4062 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100000233486_100000184674 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100011220946_100000721315 [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100000737805_100000184674 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100011220946_100000733263 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.32 C#CCC(=O)Cc1ccncc1 1458a_100011220946_100000705612 [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,2,0,0,0,0|2,0,0]=4 4068 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,2,0,0,0,0|2,0,0]=4 4069 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 4070 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 4071 B12R1.32 C=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210623 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|1,0,0]=3 4073 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,2,0,0,0,0|2,0,0]=4 4074 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,2,0,0,0,0|2,0,0]=4 4075 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [0,2,0,0,0,0|2,0,0]=4 4076 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.32 C=CCC(=O)Cc1ccncc1 1458a_100000210193_100000705612 [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,2,0,0,0,0|2,0,0]=4 4080 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.32 CC#CC(=O)Cc1cccnc1 1458a_100000763181_100000733263 [0,2,0,0,0,0|2,0,0]=4 4085 B12R1.32 CC#CC(=O)Cc1ccncc1 1458a_100000763181_100000705612 [0,2,0,0,0,0|2,0,0]=4 4086 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,2,0,0,0,0|1,0,1]=4 4088 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,2,0,0,0,0|1,0,1]=4 4089 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,2,0,0,0,0|1,0,1]=4 4090 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,2,0,0,0,0|1,0,1]=4 4091 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,2,0,0,0,0|2,0,0]=4 4093 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,2,0,0,0,0|2,0,0]=4 4094 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,2,0,0,0,0|2,0,0]=4 4095 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|1,0,0]=3 4100 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,2,0,0,0,0|1,0,1]=4 4120 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,2,0,0,0,0|1,0,1]=4 4121 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,2,0,0,0,0|1,0,1]=4 4122 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 4132 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 4133 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,2,0,0,0,0|2,0,0]=4 4134 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,2,0,0,0,0|2,0,0]=4 4135 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,2,0,0,0,0|1,0,1]=4 4140 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,2,0,0,0,0|1,0,1]=4 4141 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,2,0,0,0,0|1,0,1]=4 4142 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,2,0,0,0,0|1,0,1]=4 4143 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,2,0,0,0,0|2,0,0]=4 4144 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,2,0,0,0,0|2,0,0]=4 4145 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,2,0,0,0,0|2,0,0]=4 4146 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 4148 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 4149 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|0,0,0]=2 4150 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,2,0,0,0,0|1,0,0]=3 4152 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,2,0,0,0,0|1,0,0]=3 4154 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,2,0,0,0,0|2,0,0]=4 4155 B12R1.32 COCC(=O)Cc1cncnc1 1458a_100000210968_100015196519 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.32 COCC(=O)Cc1ncccn1 1458a_100000210968_100000703007 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,2,0,0,0,0|1,0,0]=3 4161 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,2,0,0,0,0|1,0,0]=3 4162 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4163 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|1,0,0]=3 4164 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,2,0,0,0,0|1,0,1]=4 4165 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,2,0,0,0,0|1,0,1]=4 4166 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,2,0,0,0,0|1,0,1]=4 4167 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,2,0,0,0,0|0,0,2]=4 4170 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,2,0,0,0,0|0,1,0]=3 4171 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,2,0,0,0,0|0,1,0]=3 4172 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,2,0,0,0,0|0,1,0]=3 4173 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,2,0,0,0,0|1,1,0]=4 4174 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,2,0,0,0,0|1,1,0]=4 4175 B12R1.32 CSCC(=O)Cc1ccncc1 1458a_100000184570_100000705612 [0,2,0,0,0,0|1,1,0]=4 4176 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,2,0,0,0,0|1,1,0]=4 4177 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,2,0,0,0,0|1,1,0]=4 4178 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,2,0,0,0,0|1,1,0]=4 4179 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,2,0,0,0,0|1,1,0]=4 4180 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,2,0,0,0,0|1,1,0]=4 4181 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,2,0,0,0,0|1,1,0]=4 4182 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,2,0,0,0,0|1,1,0]=4 4183 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,2,0,0,0,0|1,1,0]=4 4184 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,2,0,0,0,0|0,1,1]=4 4185 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,2,0,0,0,0|0,1,1]=4 4186 B12R1.32 N#CCC(=O)C[n+]1ccccc1 1458a_200000086051_100011214920 [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,2,0,0,0,0|1,0,0]=3 4188 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100000233486_100011214920 [0,2,0,0,0,0|2,0,0]=4 4189 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100051588842_100000721315 [0,2,0,0,0,0|2,0,0]=4 4190 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100000737805_100011214920 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100051588842_100000733263 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.32 N#CCC(=O)Cc1ccncc1 1458a_100051588842_100000705612 [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,2,0,0,0,0|2,0,0]=4 4195 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|1,0,0]=3 4196 B12R1.32 O=C(C=CBr)Cc1ccccn1 1458a_100016273825_100000721315 [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.32 O=C(C=CBr)Cc1cccnc1 1458a_100016273825_100000733263 [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.32 O=C(C=CBr)Cc1ccncc1 1458a_100016273825_100000705612 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.32 O=C(C=CCl)Cc1ccccn1 1458a_200016279998_100000721315 [0,2,0,0,0,0|2,0,0]=4 4202 B12R1.32 O=C(C=CCl)Cc1cccnc1 1458a_200016279998_100000733263 [0,2,0,0,0,0|2,0,0]=4 4203 B12R1.32 O=C(C=CCl)Cc1ccncc1 1458a_200016279998_100000705612 [0,2,0,0,0,0|2,0,0]=4 4204 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,2,0,0,0,0|2,0,0]=4 4205 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,2,0,0,0,0|2,0,0]=4 4206 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|1,0,0]=3 4207 B12R1.32 O=C(C=CI)Cc1ccccn1 1458a_100016256311_100000721315 [0,2,0,0,0,0|2,0,0]=4 4208 B12R1.32 O=C(C=CI)Cc1cccnc1 1458a_100016256311_100000733263 [0,2,0,0,0,0|2,0,0]=4 4209 B12R1.32 O=C(C=CI)Cc1ccncc1 1458a_100016256311_100000705612 [0,2,0,0,0,0|2,0,0]=4 4210 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,2,0,0,0,0|2,0,0]=4 4211 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,2,0,0,0,0|2,0,0]=4 4212 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,2,0,0,0,0|2,0,0]=4 4213 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,2,0,0,0,0|2,0,0]=4 4214 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,2,0,0,0,0|0,0,0]=2 4216 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|1,0,0]=3 4217 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,2,0,0,0,0|1,0,0]=3 4220 B12R1.32 O=C(CCO)Cc1cccnn1 1458a_100011216618_100016990269 [0,2,0,0,0,0|2,0,0]=4 4221 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,2,0,0,0,0|1,0,0]=3 4222 B12R1.32 O=C(CCO)Cc1cnccn1 1458a_100011216618_100016995436 [0,2,0,0,0,0|2,0,0]=4 4223 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100000721575_100000211926 [0,2,0,0,0,0|2,0,0]=4 4224 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100011216618_100015196519 [0,2,0,0,0,0|2,0,0]=4 4225 B12R1.32 O=C(CCO)Cc1ncccn1 1458a_100011216618_100000703007 [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,2,0,0,0,0|1,0,1]=4 4230 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,2,0,0,0,0|1,0,1]=4 4232 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,2,0,0,0,0|0,1,0]=3 4233 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,2,0,0,0,0|0,1,0]=3 4234 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,2,0,0,0,0|1,1,0]=4 4235 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,2,0,0,0,0|1,1,0]=4 4236 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,2,0,0,0,0|1,1,0]=4 4237 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,2,0,0,0,0|1,1,0]=4 4238 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,2,0,0,0,0|0,1,1]=4 4239 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,2,0,0,0,0|0,1,1]=4 4240 B12R1.50 C#CC(=O)Cc1cc(ccn1)Br 1458a_100000211873_100010173614 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.50 C#CC(=O)Cc1cc(ccn1)C 1458a_100000211873_100000718516 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.50 C#CC(=O)Cc1cc(ccn1)Cl 1458a_100000211873_100016988179 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,2,0,0,0,0|1,0,0]=3 4247 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,2,0,0,0,0|1,0,0]=3 4248 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,2,0,0,0,0|1,0,0]=3 4249 B12R1.50 C#CC(=O)Cc1cccc(n1)Br 1458a_100000211873_100009889011 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.50 C#CC(=O)Cc1cccc(n1)C 1458a_100000211873_100000757606 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.50 C#CC(=O)Cc1cccc(n1)Cl 1458a_100000211873_100000086093 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.50 C#CC(=O)Cc1cccc(n1)F 1458a_100000211873_100009819644 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.50 C#CC(=O)Cc1ccnc(c1)Br 1458a_100000211873_100010243470 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.50 C#CC(=O)Cc1ccnc(c1)C 1458a_100000211873_200020672517 [0,2,0,0,0,0|2,0,0]=4 4255 B12R1.50 C#CC(=O)Cc1ccnc(c1)Cl 1458a_100000211873_100000764220 [0,2,0,0,0,0|2,0,0]=4 4256 B12R1.50 C#CC(=O)Cc1cncc(c1)Br 1458a_100000211873_100011740620 [0,2,0,0,0,0|2,0,0]=4 4257 B12R1.50 C#CC(=O)Cc1cncc(c1)C 1458a_100000211873_100000716715 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.50 C#CC(=O)Cc1cncc(c1)Cl 1458a_100000211873_100016992070 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.50 C#CC(=O)Cc1cncc(c1)F 1458a_100000211873_100000725299 [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.50 C=CC(=O)Cc1cc(ccn1)Br 1458a_100000185746_100010173614 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.50 C=CC(=O)Cc1cc(ccn1)C 1458a_100000185746_100000718516 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.50 C=CC(=O)Cc1cc(ccn1)Cl 1458a_100000185746_100016988179 [0,2,0,0,0,0|2,0,0]=4 4263 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|1,0,0]=3 4264 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|1,0,0]=3 4265 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|1,0,0]=3 4266 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|1,0,0]=3 4267 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|1,0,0]=3 4268 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|1,0,0]=3 4269 B12R1.50 C=CC(=O)Cc1cccc(n1)Br 1458a_100000185746_100009889011 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.50 C=CC(=O)Cc1cccc(n1)C 1458a_100000185746_100000757606 [0,2,0,0,0,0|2,0,0]=4 4271 B12R1.50 C=CC(=O)Cc1cccc(n1)Cl 1458a_100000185746_100000086093 [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.50 C=CC(=O)Cc1cccc(n1)F 1458a_100000185746_100009819644 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.50 C=CC(=O)Cc1ccnc(c1)Br 1458a_100000185746_100010243470 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.50 C=CC(=O)Cc1ccnc(c1)C 1458a_100000185746_200020672517 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.50 C=CC(=O)Cc1ccnc(c1)Cl 1458a_100000185746_100000764220 [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.50 C=CC(=O)Cc1cncc(c1)Br 1458a_100000185746_100011740620 [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.50 C=CC(=O)Cc1cncc(c1)C 1458a_100000185746_100000716715 [0,2,0,0,0,0|2,0,0]=4 4278 B12R1.50 C=CC(=O)Cc1cncc(c1)Cl 1458a_100000185746_100016992070 [0,2,0,0,0,0|2,0,0]=4 4279 B12R1.50 C=CC(=O)Cc1cncc(c1)F 1458a_100000185746_100000725299 [0,2,0,0,0,0|2,0,0]=4 4280 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,2,0,0,0,0|2,0,0]=4 4281 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,2,0,0,0,0|2,0,0]=4 4287 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,2,0,0,0,0|2,0,0]=4 4294 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,2,0,0,0,0|1,0,0]=3 4296 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,2,0,0,0,0|1,0,0]=3 4297 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,2,0,0,0,0|1,0,0]=3 4298 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,2,0,0,0,0|1,0,0]=3 4299 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,2,0,0,0,0|1,0,0]=3 4300 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,2,0,0,0,0|1,0,0]=3 4301 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,2,0,0,0,0|1,0,0]=3 4302 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,2,0,0,0,0|1,0,0]=3 4303 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,2,0,0,0,0|1,0,0]=3 4304 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,2,0,0,0,0|1,0,0]=3 4305 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,2,0,0,0,0|1,0,0]=3 4306 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,2,0,0,0,0|1,0,0]=3 4307 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,2,0,0,0,0|2,0,0]=4 4308 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,2,0,0,0,0|2,0,0]=4 4313 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,2,0,0,0,0|2,0,0]=4 4314 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,2,0,0,0,0|2,0,0]=4 4315 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100000210414_100010243470 [0,2,0,0,0,0|2,0,0]=4 4316 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210202 [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.50 CCC(=O)Cc1ccnc(c1)C 1458a_100000210414_200020672517 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.50 CCC(=O)Cc1ccnc(c1)Cl 1458a_100000210414_100000764220 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000210414_100011740620 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210202 [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.50 CCC(=O)Cc1cncc(c1)Cl 1458a_100000210414_100016992070 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100000210414_100000725299 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210202 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,2,0,0,0,0|2,0,0]=4 4336 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,2,0,0,0,0|2,0,0]=4 4337 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,2,0,0,0,0|1,0,0]=3 4348 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,2,0,0,0,0|1,0,0]=3 4349 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,2,0,0,0,0|1,0,0]=3 4350 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,2,0,0,0,0|1,0,0]=3 4351 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,2,0,0,0,0|1,0,0]=3 4352 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,2,0,0,0,0|1,0,0]=3 4353 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,2,0,0,0,0|1,0,0]=3 4354 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,2,0,0,0,0|1,0,0]=3 4355 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,2,0,0,0,0|1,0,0]=3 4356 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,2,0,0,0,0|1,0,0]=3 4357 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,2,0,0,0,0|1,0,0]=3 4358 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,2,0,0,0,0|1,0,0]=3 4359 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,2,0,0,0,0|1,0,0]=3 4360 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,2,0,0,0,0|1,0,0]=3 4361 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,2,0,0,0,0|1,0,0]=3 4362 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,2,0,0,0,0|1,0,0]=3 4363 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,2,0,0,0,0|1,0,0]=3 4364 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,2,0,0,0,0|1,0,0]=3 4365 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,2,0,0,0,0|1,0,0]=3 4366 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,2,0,0,0,0|1,0,0]=3 4367 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,2,0,0,0,0|1,0,0]=3 4368 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,2,0,0,0,0|2,0,0]=4 4369 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,2,0,0,0,0|2,0,0]=4 4370 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,2,0,0,0,0|2,0,0]=4 4374 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,2,0,0,0,0|2,0,0]=4 4375 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,2,0,0,0,0|2,0,0]=4 4376 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,2,0,0,0,0|2,0,0]=4 4377 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,2,0,0,0,0|2,0,0]=4 4378 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,2,0,0,0,0|2,0,0]=4 4379 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,2,0,0,0,0|2,0,0]=4 4402 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,2,0,0,0,0|2,0,0]=4 4403 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,2,0,0,0,0|1,0,0]=3 4406 B12R1.50 COC(=O)Cc1cc(ncn1)O 271570a_203496583355_100000104187 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,2,0,0,0,0|0,0,0]=2 4408 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,2,0,0,0,0|1,0,0]=3 4409 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,2,0,0,0,0|1,0,0]=3 4410 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,2,0,0,0,0|1,0,0]=3 4411 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,2,0,0,0,0|1,0,0]=3 4412 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,2,0,0,0,0|0,0,0]=2 4413 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,2,0,0,0,0|1,0,0]=3 4414 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,2,0,0,0,0|1,0,0]=3 4415 B12R1.50 Cc1cccc(n1)CC(=O)CF 1458a_100012001110_100015361967 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,2,0,0,0,0|1,0,0]=3 4417 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,2,0,0,0,0|1,0,0]=3 4418 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,2,0,0,0,0|1,0,0]=3 4419 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,2,0,0,0,0|1,0,1]=4 4420 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,2,0,0,0,0|1,0,0]=3 4421 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,2,0,0,0,0|1,0,0]=3 4423 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,2,0,0,0,0|1,0,0]=3 4424 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,2,0,0,0,0|1,0,0]=3 4425 B12R1.50 O=C(CF)Cc1cccc(n1)Br 1458a_100010201708_100015361967 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.50 O=C(CF)Cc1cccc(n1)Cl 1458a_100000090259_100015361967 [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.50 O=C(CF)Cc1cccc(n1)F 1458a_100000096803_100015361967 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.50 O=C(CF)Cc1ccnc(c1)Br 1458a_100010126891_100015361967 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.50 O=C(CF)Cc1cncc(c1)Br 1458a_100000239331_100015361967 [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.50 O=C(CF)Cc1cncc(c1)F 1458a_100011667516_100015361967 [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,2,0,0,0,0|1,0,0]=3 4432 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,2,0,0,0,0|1,0,0]=3 4433 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,2,0,0,0,0|0,0,0]=2 4434 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,2,0,0,0,0|0,0,0]=2 4435 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,2,0,0,0,0|0,0,0]=2 4436 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,2,0,0,0,0|0,0,0]=2 4437 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,2,0,0,0,0|0,0,0]=2 4438 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,2,0,0,0,0|1,0,0]=3 4439 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,2,0,0,0,0|1,0,0]=3 4440 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,2,0,0,0,0|1,0,0]=3 4441 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,2,0,0,0,0|1,0,0]=3 4442 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,2,0,0,0,0|1,0,0]=3 4443 B12R1.50 O=C(CO)Cc1ccnc(n1)Cl 1458a_100000210174_100000099655 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,2,0,0,0,0|1,0,0]=3 4445 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,2,0,0,0,0|1,0,0]=3 4446 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,2,0,0,0,0|1,0,0]=3 4447 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,2,0,0,0,0|1,0,0]=3 4449 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,2,0,0,0,0|1,0,0]=3 4450 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,2,0,0,0,0|1,0,0]=3 4451 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,2,0,0,0,0|1,0,0]=3 4454 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,2,0,0,0,0|1,0,0]=3 4455 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,2,0,0,0,0|1,0,0]=3 4456 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,2,0,0,0,0|1,0,1]=4 4457 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,2,0,0,0,0|1,0,1]=4 4458 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,2,0,0,0,0|1,0,1]=4 4459 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,2,0,0,0,0|1,0,1]=4 4460 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,2,0,0,0,0|1,0,1]=4 4461 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,2,0,0,0,0|1,0,1]=4 4462 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,2,0,0,0,0|1,0,1]=4 4463 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,2,0,0,0,0|1,0,1]=4 4464 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,2,0,0,0,0|1,0,1]=4 4465 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,2,0,0,0,0|1,0,1]=4 4466 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,2,0,0,0,0|1,0,1]=4 4467 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,2,0,0,0,0|1,0,1]=4 4468 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,2,0,0,0,0|1,0,1]=4 4469 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,2,0,0,0,0|1,0,1]=4 4470 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,2,0,0,0,0|1,0,1]=4 4471 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,2,0,0,0,0|1,0,1]=4 4472 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,2,0,0,0,0|1,0,1]=4 4473 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,2,0,0,0,0|1,0,0]=3 4474 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,2,0,0,0,0|1,0,0]=3 4475 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,2,0,0,0,0|1,0,0]=3 4476 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,2,0,0,0,0|1,0,0]=3 4477 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,2,0,0,0,0|1,0,0]=3 4478 B12R1.371 C#CC(=O)Cc1cccnc1Br 1458a_100000211873_100010140945 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.371 C#CC(=O)Cc1cccnc1C 1458a_100000211873_100000732876 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.371 C#CC(=O)Cc1cccnc1Cl 1458a_100000211873_100000045678 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.371 C#CC(=O)Cc1cccnc1F 1458a_100000211873_100000099810 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.371 C#CC(=O)Cc1ccncc1C 1458a_100000211873_100020672808 [0,2,0,0,0,0|2,0,0]=4 4483 B12R1.371 C#CC(=O)Cc1ccncc1Cl 1458a_100000211873_100000763264 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.371 C#CC(=O)Cc1cnccc1C 1458a_100000211873_100000690890 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.371 C#CC(=O)Cc1ncccc1Br 1458a_100000211873_100025702911 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.371 C#CC(=O)Cc1ncccc1C 1458a_100000211873_100000696600 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.371 C#CC(=O)Cc1ncccc1Cl 1458a_100000211873_100000099807 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.371 C#CC(=O)Cc1ncccc1F 1458a_100000211873_100000104219 [0,2,0,0,0,0|2,0,0]=4 4489 B12R1.371 C#CC(=O)Cc1ncccc1O 1458a_100000211873_200020655725 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|1,0,0]=3 4492 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|1,0,0]=3 4493 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|1,0,0]=3 4494 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|1,0,0]=3 4495 B12R1.371 C=CC(=O)Cc1cccnc1Br 1458a_100000185746_100010140945 [0,2,0,0,0,0|2,0,0]=4 4496 B12R1.371 C=CC(=O)Cc1cccnc1C 1458a_100000185746_100000732876 [0,2,0,0,0,0|2,0,0]=4 4497 B12R1.371 C=CC(=O)Cc1cccnc1Cl 1458a_100000185746_100000045678 [0,2,0,0,0,0|2,0,0]=4 4498 B12R1.371 C=CC(=O)Cc1cccnc1F 1458a_100000185746_100000099810 [0,2,0,0,0,0|2,0,0]=4 4499 B12R1.371 C=CC(=O)Cc1ccncc1C 1458a_100000185746_100020672808 [0,2,0,0,0,0|2,0,0]=4 4500 B12R1.371 C=CC(=O)Cc1ccncc1Cl 1458a_100000185746_100000763264 [0,2,0,0,0,0|2,0,0]=4 4501 B12R1.371 C=CC(=O)Cc1cnccc1C 1458a_100000185746_100000690890 [0,2,0,0,0,0|2,0,0]=4 4502 B12R1.371 C=CC(=O)Cc1ncccc1Br 1458a_100000185746_100025702911 [0,2,0,0,0,0|2,0,0]=4 4503 B12R1.371 C=CC(=O)Cc1ncccc1C 1458a_100000185746_100000696600 [0,2,0,0,0,0|2,0,0]=4 4504 B12R1.371 C=CC(=O)Cc1ncccc1Cl 1458a_100000185746_100000099807 [0,2,0,0,0,0|2,0,0]=4 4505 B12R1.371 C=CC(=O)Cc1ncccc1F 1458a_100000185746_100000104219 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [0,2,0,0,0,0|2,0,0]=4 4507 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,2,0,0,0,0|2,0,0]=4 4508 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,2,0,0,0,0|2,0,0]=4 4512 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,2,0,0,0,0|2,0,0]=4 4513 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,2,0,0,0,0|2,0,0]=4 4514 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,2,0,0,0,0|2,0,0]=4 4515 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,2,0,0,0,0|2,0,0]=4 4516 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,2,0,0,0,0|1,0,0]=3 4518 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,2,0,0,0,0|1,0,0]=3 4523 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,2,0,0,0,0|1,0,0]=3 4526 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,2,0,0,0,0|1,0,0]=3 4527 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,2,0,0,0,0|2,0,0]=4 4528 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,2,0,0,0,0|2,0,0]=4 4532 B12R1.371 CCC(=O)Cc1ccncc1C 1458a_100000210414_100020672808 [0,2,0,0,0,0|2,0,0]=4 4533 B12R1.371 CCC(=O)Cc1ccncc1Cl 1458a_100000210414_100000763264 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,2,0,0,0,0|2,0,0]=4 4538 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,2,0,0,0,0|2,0,0]=4 4539 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.371 CCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210202 [0,2,0,0,0,0|2,0,0]=4 4544 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,2,0,0,0,0|2,0,0]=4 4546 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,2,0,0,0,0|2,0,0]=4 4547 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,2,0,0,0,0|2,0,0]=4 4548 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,2,0,0,0,0|2,0,0]=4 4549 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,2,0,0,0,0|2,0,0]=4 4550 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,2,0,0,0,0|2,0,0]=4 4551 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,2,0,0,0,0|2,0,0]=4 4556 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,2,0,0,0,0|1,0,0]=3 4564 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,2,0,0,0,0|1,0,0]=3 4565 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,2,0,0,0,0|1,0,0]=3 4566 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,2,0,0,0,0|1,0,0]=3 4567 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,2,0,0,0,0|1,0,0]=3 4568 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,2,0,0,0,0|1,0,0]=3 4569 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,2,0,0,0,0|1,0,0]=3 4570 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,2,0,0,0,0|1,0,0]=3 4572 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,2,0,0,0,0|1,0,0]=3 4573 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,2,0,0,0,0|1,0,0]=3 4574 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,2,0,0,0,0|1,0,0]=3 4575 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,2,0,0,0,0|1,0,0]=3 4576 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,2,0,0,0,0|1,0,0]=3 4577 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,2,0,0,0,0|1,0,0]=3 4578 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,2,0,0,0,0|1,0,0]=3 4579 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,2,0,0,0,0|1,0,0]=3 4580 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,2,0,0,0,0|1,0,0]=3 4581 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,2,0,0,0,0|1,0,0]=3 4582 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,2,0,0,0,0|1,0,0]=3 4584 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,2,0,0,0,0|2,0,0]=4 4586 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,2,0,0,0,0|2,0,0]=4 4589 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,2,0,0,0,0|2,0,0]=4 4591 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,2,0,0,0,0|2,0,0]=4 4597 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,2,0,0,0,0|2,0,0]=4 4598 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,2,0,0,0,0|2,0,0]=4 4599 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,2,0,0,0,0|2,0,0]=4 4600 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,2,0,0,0,0|2,0,0]=4 4601 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,2,0,0,0,0|2,0,0]=4 4602 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,2,0,0,0,0|2,0,0]=4 4603 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,2,0,0,0,0|2,0,0]=4 4604 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,2,0,0,0,0|2,0,0]=4 4605 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,2,0,0,0,0|2,0,0]=4 4606 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,2,0,0,0,0|0,0,0]=2 4607 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,2,0,0,0,0|1,0,0]=3 4608 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,2,0,0,0,0|1,0,0]=3 4610 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,2,0,0,0,0|1,0,0]=3 4611 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,2,0,0,0,0|0,0,0]=2 4612 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,2,0,0,0,0|1,0,0]=3 4613 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,2,0,0,0,0|1,0,0]=3 4614 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,2,0,0,0,0|2,0,0]=4 4615 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,2,0,0,0,0|1,0,0]=3 4616 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,2,0,0,0,0|1,0,0]=3 4617 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,2,0,0,0,0|1,0,0]=3 4618 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,2,0,0,0,0|1,0,0]=3 4619 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,2,0,0,0,0|1,0,0]=3 4620 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,2,0,0,0,0|1,0,0]=3 4621 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,2,0,0,0,0|1,0,0]=3 4622 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,2,0,0,0,0|1,0,0]=3 4623 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,2,0,0,0,0|1,0,0]=3 4624 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,2,0,0,0,0|1,0,0]=3 4625 B12R1.371 O=C(CF)Cc1cccnc1Cl 1458a_100000093521_100015361967 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.371 O=C(CF)Cc1ncccc1Br 1458a_200012357574_100015361967 [0,2,0,0,0,0|2,0,0]=4 4627 B12R1.371 O=C(CF)Cc1ncccc1Cl 1458a_100011998755_100015361967 [0,2,0,0,0,0|2,0,0]=4 4628 B12R1.371 O=C(CF)Cn1ccccc1=O 1458a_100000189665_100015361967 [0,2,0,0,0,0|2,0,0]=4 4629 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,2,0,0,0,0|0,0,0]=2 4630 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,2,0,0,0,0|0,0,0]=2 4631 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,2,0,0,0,0|0,0,0]=2 4632 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,2,0,0,0,0|0,0,0]=2 4633 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,2,0,0,0,0|1,0,0]=3 4634 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,2,0,0,0,0|1,0,0]=3 4635 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,2,0,0,0,0|1,0,0]=3 4636 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,2,0,0,0,0|1,0,0]=3 4637 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,2,0,0,0,0|1,0,0]=3 4638 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,2,0,0,0,0|1,0,0]=3 4639 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,2,0,0,0,0|1,0,0]=3 4640 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,2,0,0,0,0|1,0,0]=3 4641 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,2,0,0,0,0|1,0,0]=3 4642 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,2,0,0,0,0|1,0,0]=3 4643 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,2,0,0,0,0|1,0,0]=3 4644 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,2,0,0,0,0|1,0,0]=3 4645 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,2,0,0,0,0|1,0,0]=3 4646 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,2,0,0,0,0|1,0,0]=3 4647 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,2,0,0,0,0|2,0,0]=4 4649 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,2,0,0,0,0|2,0,0]=4 4650 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,2,0,0,0,0|1,0,0]=3 4651 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,2,0,0,0,0|2,0,0]=4 4653 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,2,0,0,0,0|2,0,0]=4 4654 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,2,0,0,0,0|2,0,0]=4 4655 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,2,0,0,0,0|2,0,0]=4 4656 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,2,0,0,0,0|2,0,0]=4 4658 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [0,2,0,0,0,0|1,0,0]=3 4660 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.75 CC(=O)Cc1cccnc1C#N 1458a_100000070787_100011768898 [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.75 CC(=O)Cc1ncccc1C#N 1458a_100000070787_100000099805 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,2,0,0,0,0|2,0,0]=4 4684 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,2,0,0,0,0|2,0,0]=4 4685 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,2,0,0,0,0|2,0,0]=4 4686 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,2,0,0,0,0|2,0,0]=4 4687 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,2,0,0,0,0|2,0,0]=4 4688 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,2,0,0,0,0|2,0,0]=4 4689 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,2,0,0,0,0|2,0,0]=4 4690 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,2,0,0,0,0|2,0,0]=4 4691 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,2,0,0,0,0|1,0,0]=3 4692 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,2,0,0,0,0|1,0,0]=3 4693 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,2,0,0,0,0|1,0,0]=3 4694 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,2,0,0,0,0|1,0,0]=3 4695 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,2,0,0,0,0|1,0,0]=3 4696 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,2,0,0,0,0|2,0,0]=4 4698 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,2,0,0,0,0|2,0,0]=4 4699 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,2,0,0,0,0|2,0,0]=4 4700 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,2,0,0,0,0|2,0,0]=4 4701 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [0,2,0,0,0,0|1,0,0]=3 4703 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,2,0,0,0,0|1,0,0]=3 4704 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,2,0,0,0,0|1,0,0]=3 4705 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,2,0,0,0,0|2,0,0]=4 4706 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,2,0,0,0,0|1,0,0]=3 4707 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,2,0,0,0,0|1,0,0]=3 4708 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,2,0,0,0,0|1,0,0]=3 4709 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,2,0,0,0,0|1,0,0]=3 4711 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,2,0,0,0,0|1,0,0]=3 4712 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,2,0,0,0,0|1,0,0]=3 4713 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,2,0,0,0,0|1,0,0]=3 4714 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,2,0,0,0,0|1,0,0]=3 4715 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,2,0,0,0,0|1,0,0]=3 4716 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,2,0,0,0,0|1,0,0]=3 4717 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,2,0,0,0,0|1,0,0]=3 4718 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,2,0,0,0,0|1,0,0]=3 4719 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,2,0,0,0,0|1,0,0]=3 4720 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,2,0,0,0,0|1,0,0]=3 4721 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,2,0,0,0,0|1,0,0]=3 4722 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,2,0,0,0,0|1,0,0]=3 4723 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,2,0,0,0,0|1,0,0]=3 4724 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,2,0,0,0,0|1,0,0]=3 4725 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,2,0,0,0,0|1,0,0]=3 4726 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,2,0,0,0,0|1,0,0]=3 4727 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,2,0,0,0,0|1,0,0]=3 4728 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,2,0,0,0,0|1,0,0]=3 4729 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,2,0,0,0,0|1,0,0]=3 4730 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,2,0,0,0,0|1,0,0]=3 4731 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,2,0,0,0,0|1,0,0]=3 4732 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,2,0,0,0,0|1,0,0]=3 4733 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,2,0,0,0,0|1,0,0]=3 4734 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,2,0,0,0,0|1,0,0]=3 4735 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,2,0,0,0,0|1,0,0]=3 4736 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,2,0,0,0,0|1,0,0]=3 4737 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,2,0,0,0,0|1,0,0]=3 4738 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,2,0,0,0,0|1,0,0]=3 4739 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,2,0,0,0,0|1,0,0]=3 4740 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,2,0,0,0,0|1,0,0]=3 4741 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,2,0,0,0,0|1,0,0]=3 4742 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,2,0,0,0,0|1,0,0]=3 4743 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,2,0,0,0,0|1,0,0]=3 4744 B12R1.127 CC(=O)Cc1cc(cnc1Br)Br 1458a_100000070787_100010253922 [0,2,0,0,0,0|2,0,0]=4 4745 B12R1.127 CC(=O)Cc1cc(cnc1Cl)Br 1458a_100000070787_100009816982 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,2,0,0,0,0|2,0,0]=4 4749 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.127 CC(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200000210301 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.127 CC(=O)Cn1cc(ccc1=O)C 1458a_100009850670_200000210301 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,2,0,0,0,0|2,0,0]=4 4775 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,2,0,0,0,0|2,0,0]=4 4776 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,2,0,0,0,0|2,0,0]=4 4784 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,2,0,0,0,0|2,0,0]=4 4785 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,2,0,0,0,0|2,0,0]=4 4792 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,2,0,0,0,0|2,0,0]=4 4793 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,2,0,0,0,0|2,0,0]=4 4794 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,2,0,0,0,0|2,0,0]=4 4795 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,2,0,0,0,0|2,0,0]=4 4796 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,2,0,0,0,0|2,0,0]=4 4797 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,2,0,0,0,0|2,0,0]=4 4798 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,2,0,0,0,0|2,0,0]=4 4813 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,2,0,0,0,0|2,0,0]=4 4814 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,2,0,0,0,0|2,0,0]=4 4815 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,2,0,0,0,0|2,0,0]=4 4816 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,2,0,0,0,0|2,0,0]=4 4818 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,2,0,0,0,0|2,0,0]=4 4821 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,2,0,0,0,0|2,0,0]=4 4822 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,2,0,0,0,0|2,0,0]=4 4829 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,2,0,0,0,0|2,0,0]=4 4830 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,2,0,0,0,0|2,0,0]=4 4831 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,2,0,0,0,0|2,0,0]=4 4832 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,2,0,0,0,0|2,0,0]=4 4834 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,2,0,0,0,0|2,0,0]=4 4835 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,2,0,0,0,0|2,0,0]=4 4837 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,2,0,0,0,0|2,0,0]=4 4838 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,2,0,0,0,0|2,0,0]=4 4839 B12R1.127 Cc1ccc(=O)n(c1)CC(=O)[13CH3] 1458a_100009850670_200025704644 [0,2,0,0,0,0|2,0,0]=4 4840 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,2,0,0,0,0|1,0,0]=3 4841 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,2,0,0,0,0|1,0,0]=3 4842 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,2,0,0,0,0|1,0,0]=3 4843 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,2,0,0,0,0|1,0,0]=3 4844 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,2,0,0,0,0|1,0,0]=3 4845 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,2,0,0,0,0|1,0,0]=3 4846 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,2,0,0,0,0|1,0,0]=3 4847 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,2,0,0,0,0|1,0,0]=3 4848 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,2,0,0,0,0|1,0,0]=3 4849 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,2,0,0,0,0|1,0,0]=3 4850 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,2,0,0,0,0|1,0,0]=3 4851 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,2,0,0,0,0|1,0,0]=3 4854 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,2,0,0,0,0|1,0,0]=3 4855 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,2,0,0,0,0|1,0,0]=3 4856 B12R1.127 [13CH3]C(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200025704644 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.151 CS(=O)(=O)Cc1ccccc1O 271570a_203496583355_100009814642 [0,2,0,0,0,0|1,0,1]=4 4858 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,2,0,0,0,0|1,0,0]=3 4859 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,2,0,0,0,0|1,0,0]=3 4860 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,2,0,0,0,0|1,0,0]=3 4861 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,2,0,0,0,0|1,0,0]=3 4862 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,2,0,0,0,0|1,0,0]=3 4863 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,2,0,0,0,0|1,0,0]=3 4864 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,2,0,0,0,0|1,0,0]=3 4865 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,2,0,0,0,0|1,0,0]=3 4866 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,2,0,0,0,0|1,0,0]=3 4867 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,2,0,0,0,0|1,0,0]=3 4868 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,2,0,0,0,0|1,0,0]=3 4869 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,2,0,0,0,0|1,0,0]=3 4870 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,2,0,0,0,0|1,0,0]=3 4871 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,2,0,0,0,0|1,0,0]=3 4872 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,2,0,0,0,0|1,0,0]=3 4873 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,2,0,0,0,0|1,0,0]=3 4874 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,2,0,0,0,0|1,0,0]=3 4875 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,2,0,0,0,0|1,0,0]=3 4876 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,2,0,0,0,0|1,0,0]=3 4877 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,2,0,0,0,0|1,0,0]=3 4878 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,2,0,0,0,0|1,0,0]=3 4879 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,2,0,0,0,0|1,0,0]=3 4880 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,2,0,0,0,0|1,0,0]=3 4881 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,2,0,0,0,0|1,0,0]=3 4882 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,2,0,0,0,0|1,0,0]=3 4883 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,2,0,0,0,0|1,0,0]=3 4884 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,2,0,0,0,0|1,0,0]=3 4885 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,2,0,0,0,0|1,0,0]=3 4886 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.224 CC(=O)Cn1cccc(c1=O)C 1458a_100000697016_200000210301 [0,2,0,0,0,0|2,0,0]=4 4888 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,2,0,0,0,0|2,0,0]=4 4889 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,2,0,0,0,0|2,0,0]=4 4890 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,2,0,0,0,0|2,0,0]=4 4891 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100015343762 [0,2,0,0,0,0|2,0,0]=4 4892 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100015343762 [0,2,0,0,0,0|2,0,0]=4 4893 B12R1.224 CC(=O)Nc1cccc(c1Br)F 11a_100011934729_100015343762 [0,2,0,0,0,0|2,0,0]=4 4894 B12R1.224 CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100015343762 [0,2,0,0,0,0|2,0,0]=4 4895 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,2,0,0,0,0|2,0,0]=4 4896 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,2,0,0,0,0|2,0,0]=4 4897 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,2,0,0,0,0|2,0,0]=4 4898 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,2,0,0,0,0|2,0,0]=4 4899 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,2,0,0,0,0|2,0,0]=4 4900 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,2,0,0,0,0|2,0,0]=4 4901 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,2,0,0,0,0|2,0,0]=4 4902 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,2,0,0,0,0|2,0,0]=4 4903 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,2,0,0,0,0|2,0,0]=4 4904 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,2,0,0,0,0|2,0,0]=4 4905 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,2,0,0,0,0|2,0,0]=4 4906 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,2,0,0,0,0|2,0,0]=4 4907 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,2,0,0,0,0|2,0,0]=4 4908 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,2,0,0,0,0|2,0,0]=4 4909 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,2,0,0,0,0|2,0,0]=4 4911 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,2,0,0,0,0|2,0,0]=4 4912 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,2,0,0,0,0|2,0,0]=4 4913 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,2,0,0,0,0|2,0,0]=4 4914 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,2,0,0,0,0|2,0,0]=4 4915 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,2,0,0,0,0|2,0,0]=4 4916 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,2,0,0,0,0|2,0,0]=4 4917 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100015343762 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100015343762 [0,2,0,0,0,0|2,0,0]=4 4921 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100103153847 [0,2,0,0,0,0|2,0,0]=4 4922 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,2,0,0,0,0|2,0,0]=4 4923 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,2,0,0,0,0|2,0,0]=4 4925 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100015343762 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100015343762 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100015343762 [0,2,0,0,0,0|2,0,0]=4 4928 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100015343762 [0,2,0,0,0,0|2,0,0]=4 4929 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000070787 [0,2,0,0,0,0|2,0,0]=4 4930 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.224 CC(=O)Nc1cccc(c1F)Br 11a_100011935091_100015343762 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.224 CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100015343762 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.224 CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000070787 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.224 CC(=O)Nc1cccc(c1F)Br 527a_100011935091_100103153847 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100015343762 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100015343762 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000070787 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.224 CC(=O)Nc1cccc(c1F)F 11a_100000743855_100015343762 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.224 CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100015343762 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.224 CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000070787 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.224 CC(=O)Nc1cccc(c1I)Br 11a_100020590159_100015343762 [0,2,0,0,0,0|2,0,0]=4 4945 B12R1.224 CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100015343762 [0,2,0,0,0,0|2,0,0]=4 4946 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,2,0,0,0,0|2,0,0]=4 4947 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,2,0,0,0,0|2,0,0]=4 4948 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100015343762 [0,2,0,0,0,0|2,0,0]=4 4949 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100015343762 [0,2,0,0,0,0|2,0,0]=4 4950 B12R1.224 CC(=O)Nc1cccc(c1I)F 11a_100000690935_100015343762 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.224 CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100015343762 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,2,0,0,0,0|1,0,0]=3 4967 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,2,0,0,0,0|1,0,0]=3 4968 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,2,0,0,0,0|1,0,0]=3 4969 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,2,0,0,0,0|1,0,0]=3 4970 B12R1.224 Cc1cccn(c1=O)CC(=O)[13CH3] 1458a_100000697016_200025704644 [0,2,0,0,0,0|2,0,0]=4 4971 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,2,0,0,0,0|1,0,0]=3 4972 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,2,0,0,0,0|1,0,0]=3 4973 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,2,0,0,0,0|1,0,0]=3 4974 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,2,0,0,0,0|1,0,0]=3 4975 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,2,0,0,0,0|1,0,0]=3 4976 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,2,0,0,0,0|1,0,0]=3 4977 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,2,0,0,0,0|1,0,0]=3 4978 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,2,0,0,0,0|1,0,0]=3 4979 B12R1.1009 CC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200000210301 [0,2,0,0,0,0|1,0,0]=3 4980 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,2,0,0,0,0|1,0,0]=3 4981 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,2,0,0,0,0|1,0,0]=3 4982 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100000070787_100010138402 [0,2,0,0,0,0|1,0,0]=3 4983 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200000210301 [0,2,0,0,0,0|1,0,0]=3 4984 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100000070787_100000696636 [0,2,0,0,0,0|1,0,0]=3 4985 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100010172741_200000210301 [0,2,0,0,0,0|1,0,0]=3 4986 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,2,0,0,0,0|1,0,0]=3 4987 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,2,0,0,0,0|1,0,0]=3 4988 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000070787_100000187851 [0,2,0,0,0,0|1,0,0]=3 4989 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200000210301 [0,2,0,0,0,0|1,0,0]=3 4990 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000070787_100000187852 [0,2,0,0,0,0|1,0,0]=3 4991 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200000210301 [0,2,0,0,0,0|1,0,0]=3 4992 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,2,0,0,0,0|1,0,0]=3 4993 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000070787_100000698325 [0,2,0,0,0,0|1,0,0]=3 4994 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000684726_200000210301 [0,2,0,0,0,0|1,0,0]=3 4995 B12R1.1009 CC(=O)Cc1c(cccc1I)Br 1458a_100000070787_100010146611 [0,2,0,0,0,0|1,0,0]=3 4996 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,2,0,0,0,0|1,0,0]=3 4997 B12R1.1009 CC(=O)Cc1c(cccc1I)F 1458a_100000070787_100010149602 [0,2,0,0,0,0|1,0,0]=3 4998 B12R1.1009 CC(=O)Cc1c(cncc1Cl)Cl 1458a_100000070787_200009872113 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.1009 CC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100015343762 [0,2,0,0,0,0|2,0,0]=4 5000 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 11a_100011834072_100015343762 [0,2,0,0,0,0|2,0,0]=4 5001 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100015343762 [0,2,0,0,0,0|2,0,0]=4 5002 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100015343762 [0,2,0,0,0,0|2,0,0]=4 5003 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100015343762 [0,2,0,0,0,0|2,0,0]=4 5004 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 11a_100000684712_100015343762 [0,2,0,0,0,0|2,0,0]=4 5005 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100015343762 [0,2,0,0,0,0|2,0,0]=4 5006 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 527a_100011934926_100103153847 [0,2,0,0,0,0|2,0,0]=4 5007 B12R1.1009 CC(=O)Nc1c(cccc1C)C 11a_100000185769_100015343762 [0,2,0,0,0,0|2,0,0]=4 5008 B12R1.1009 CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100015343762 [0,2,0,0,0,0|2,0,0]=4 5009 B12R1.1009 CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000070787 [0,2,0,0,0,0|2,0,0]=4 5010 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100015343762 [0,2,0,0,0,0|2,0,0]=4 5011 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100015343762 [0,2,0,0,0,0|2,0,0]=4 5012 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100015343762 [0,2,0,0,0,0|2,0,0]=4 5013 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100015343762 [0,2,0,0,0,0|2,0,0]=4 5014 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100015343762 [0,2,0,0,0,0|2,0,0]=4 5015 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100015343762 [0,2,0,0,0,0|2,0,0]=4 5016 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000070787 [0,2,0,0,0,0|2,0,0]=4 5017 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100103153847 [0,2,0,0,0,0|2,0,0]=4 5018 B12R1.1009 CC(=O)Nc1c(cccc1F)C 11a_100000766463_100015343762 [0,2,0,0,0,0|2,0,0]=4 5019 B12R1.1009 CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100015343762 [0,2,0,0,0,0|2,0,0]=4 5020 B12R1.1009 CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000070787 [0,2,0,0,0,0|2,0,0]=4 5021 B12R1.1009 CC(=O)Nc1c(cccc1F)F 11a_100000210704_100015343762 [0,2,0,0,0,0|2,0,0]=4 5022 B12R1.1009 CC(=O)Nc1c(cccc1F)F 1626a_100000210704_100015343762 [0,2,0,0,0,0|2,0,0]=4 5023 B12R1.1009 CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000070787 [0,2,0,0,0,0|2,0,0]=4 5024 B12R1.1009 CC(=O)Nc1c(cccc1F)O 527a_100020591140_100103153847 [0,2,0,0,0,0|2,0,0]=4 5025 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 11a_100010146558_100015343762 [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100015343762 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100015343762 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100015343762 [0,2,0,0,0,0|2,0,0]=4 5029 B12R1.1009 CC(=O)Nc1c(cccc1I)F 11a_100000042321_100015343762 [0,2,0,0,0,0|2,0,0]=4 5030 B12R1.1009 CC(=O)Nc1c(cccc1I)F 1626a_100000042321_100015343762 [0,2,0,0,0,0|2,0,0]=4 5031 B12R1.1009 CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000070787 [0,2,0,0,0,0|2,0,0]=4 5032 B12R1.1009 CC(=O)Nc1c(cccc1I)O 527a_200000049512_100103153847 [0,2,0,0,0,0|2,0,0]=4 5033 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,2,0,0,0,0|2,0,0]=4 5034 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.1009 CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000070787 [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.1009 CC(=O)Nc1c(cccc1O)O 527a_100011995820_100103153847 [0,2,0,0,0,0|2,0,0]=4 5037 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,2,0,0,0,0|1,0,0]=3 5038 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,2,0,0,0,0|1,0,0]=3 5039 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200025704644 [0,2,0,0,0,0|1,0,0]=3 5040 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200025704644 [0,2,0,0,0,0|1,0,0]=3 5041 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)F 1458a_100010172741_200025704644 [0,2,0,0,0,0|1,0,0]=3 5042 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200025704644 [0,2,0,0,0,0|1,0,0]=3 5043 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200025704644 [0,2,0,0,0,0|1,0,0]=3 5044 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1F)F 1458a_100000684726_200025704644 [0,2,0,0,0,0|1,0,0]=3 5045 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000070787_100011216082 [0,2,0,0,0,0|1,0,0]=3 5046 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200000210301 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,2,0,0,0,0|1,0,0]=3 5048 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000070787_100000766940 [0,2,0,0,0,0|1,0,0]=3 5049 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200000210301 [0,2,0,0,0,0|1,0,0]=3 5050 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,2,0,0,0,0|1,0,0]=3 5051 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [0,2,0,0,0,0|1,0,0]=3 5054 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000070787_100011219885 [0,2,0,0,0,0|1,0,0]=3 5055 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200000210301 [0,2,0,0,0,0|1,0,0]=3 5056 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,2,0,0,0,0|1,0,0]=3 5057 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,2,0,0,0,0|1,0,0]=3 5058 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100000070787_100000697002 [0,2,0,0,0,0|1,0,0]=3 5059 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200000210301 [0,2,0,0,0,0|1,0,0]=3 5060 B12R1.101 CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000070787_100010146614 [0,2,0,0,0,0|1,0,0]=3 5061 B12R1.101 CC(=O)Cc1cc(cc(c1)I)F 1458a_100000070787_100010149605 [0,2,0,0,0,0|1,0,0]=3 5062 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.101 CC(=O)Cc1cc(nc(c1)C)C 1458a_100000070787_200000139866 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.101 CC(=O)Cc1cc(nc(c1)Cl)Cl 1458a_100000070787_100000052781 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 11a_100012047176_100015343762 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 1626a_100012047176_100015343762 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 22a_100012047176_100000070787 [0,2,0,0,0,0|2,0,0]=4 5068 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 527a_100012047176_100103153847 [0,2,0,0,0,0|2,0,0]=4 5069 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,2,0,0,0,0|2,0,0]=4 5070 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,2,0,0,0,0|2,0,0]=4 5071 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,2,0,0,0,0|2,0,0]=4 5073 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 11a_100011934539_100015343762 [0,2,0,0,0,0|2,0,0]=4 5074 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 1626a_100011934539_100015343762 [0,2,0,0,0,0|2,0,0]=4 5075 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100000070787 [0,2,0,0,0,0|2,0,0]=4 5076 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 11a_100000705686_100015343762 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 1626a_100000705686_100015343762 [0,2,0,0,0,0|2,0,0]=4 5078 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 22a_100000705686_100000070787 [0,2,0,0,0,0|2,0,0]=4 5079 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,2,0,0,0,0|2,0,0]=4 5080 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,2,0,0,0,0|2,0,0]=4 5081 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,2,0,0,0,0|2,0,0]=4 5082 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,2,0,0,0,0|2,0,0]=4 5083 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,2,0,0,0,0|2,0,0]=4 5085 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,2,0,0,0,0|2,0,0]=4 5086 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 11a_100000210456_100015343762 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 1626a_100000210456_100015343762 [0,2,0,0,0,0|2,0,0]=4 5088 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000070787 [0,2,0,0,0,0|2,0,0]=4 5089 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 11a_100000686136_100015343762 [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 1626a_100000686136_100015343762 [0,2,0,0,0,0|2,0,0]=4 5091 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 22a_100000686136_100000070787 [0,2,0,0,0,0|2,0,0]=4 5092 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100015343762 [0,2,0,0,0,0|2,0,0]=4 5093 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000070787 [0,2,0,0,0,0|2,0,0]=4 5094 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,2,0,0,0,0|2,0,0]=4 5095 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,2,0,0,0,0|2,0,0]=4 5096 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 11a_100000233717_100015343762 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 1626a_100000233717_100015343762 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 22a_100000233717_100000070787 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 11a_100009814763_100015343762 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 1626a_100009814763_100015343762 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 22a_100009814763_100000070787 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 527a_100009814763_100103153847 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 11a_100010147676_100015343762 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 1626a_100010147676_100015343762 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 22a_100010147676_100000070787 [0,2,0,0,0,0|2,0,0]=4 5108 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 11a_100011356972_100015343762 [0,2,0,0,0,0|2,0,0]=4 5109 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 1626a_100011356972_100015343762 [0,2,0,0,0,0|2,0,0]=4 5110 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 22a_100011356972_100000070787 [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 11a_200000696836_100015343762 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 1626a_200000696836_100015343762 [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 22a_200000696836_100000070787 [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 527a_200000696836_100103153847 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.101 CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100103153847 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.101 CC(=O)Oc1cc(cc(c1)F)O 271570a_203496583355_200015324874 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,2,0,0,0,0|1,0,0]=3 5121 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,2,0,0,0,0|1,0,0]=3 5122 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200025704644 [0,2,0,0,0,0|1,0,0]=3 5123 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200025704644 [0,2,0,0,0,0|1,0,0]=3 5124 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [0,2,0,0,0,0|1,0,0]=3 5125 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200025704644 [0,2,0,0,0,0|1,0,0]=3 5126 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200025704644 [0,2,0,0,0,0|1,0,0]=3 5127 B12R1.119 CS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_200009814643 [0,2,0,0,0,0|1,0,1]=4 5128 B12R1.119 NS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_100000725052 [0,2,0,0,0,0|1,0,1]=4 5129 B12R1.438 C#Cc1cccc(c1)NC(=O)C 11a_100000735509_100015343762 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1626a_100000735509_100015343762 [0,2,0,0,0,0|2,0,0]=4 5131 B12R1.438 C#Cc1cccc(c1)NC(=O)C 22a_100000735509_100000070787 [0,2,0,0,0,0|2,0,0]=4 5132 B12R1.438 C#Cc1cccc(c1)NC(=O)C 527a_100000735509_100103153847 [0,2,0,0,0,0|2,0,0]=4 5133 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [0,2,0,0,0,0|1,0,0]=3 5134 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [0,2,0,0,0,0|1,0,0]=3 5135 B12R1.438 C=Cc1cccc(c1)NC(=O)C 11a_100011827668_100015343762 [0,2,0,0,0,0|2,0,0]=4 5136 B12R1.438 C=Cc1cccc(c1)NC(=O)C 1626a_100011827668_100015343762 [0,2,0,0,0,0|2,0,0]=4 5137 B12R1.438 C=Cc1cccc(c1)NC(=O)C 22a_100011827668_100000070787 [0,2,0,0,0,0|2,0,0]=4 5138 B12R1.438 C=Cc1cccc(c1)NC(=O)C 271570a_100011290941_100000153616 [0,2,0,0,0,0|2,0,0]=4 5139 B12R1.438 C=Cc1cccc(c1)NC(=O)C 527a_100011827668_100103153847 [0,2,0,0,0,0|2,0,0]=4 5140 B12R1.438 C=Cc1cccc(c1)NC(=O)N 271570a_100011290941_100000238923 [0,2,0,0,0,0|2,0,0]=4 5141 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,2,0,0,0,0|2,0,0]=4 5142 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [0,2,0,0,0,0|1,0,0]=3 5143 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [0,2,0,0,0,0|1,0,0]=3 5144 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [0,2,0,0,0,0|1,0,0]=3 5145 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,2,0,0,0,0|1,0,0]=3 5146 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,2,0,0,0,0|1,0,0]=3 5147 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,2,0,0,0,0|1,0,0]=3 5148 B12R1.438 CC(=O)Cc1cccc(n1)C#N 1458a_100000070787_100000097530 [0,2,0,0,0,0|2,0,0]=4 5149 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,2,0,0,0,0|2,0,0]=4 5150 B12R1.438 CC(=O)Cc1cncc(c1)C#N 1458a_100000070787_200020634941 [0,2,0,0,0,0|2,0,0]=4 5151 B12R1.438 CC(=O)Nc1cccc(c1)C#N 11a_100000210922_100015343762 [0,2,0,0,0,0|2,0,0]=4 5152 B12R1.438 CC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100015343762 [0,2,0,0,0,0|2,0,0]=4 5153 B12R1.438 CC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000070787 [0,2,0,0,0,0|2,0,0]=4 5154 B12R1.438 CC(=O)Nc1cccc(c1)C#N 527a_100000210922_100103153847 [0,2,0,0,0,0|2,0,0]=4 5155 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,2,0,0,0,0|2,0,0]=4 5156 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,2,0,0,0,0|2,0,0]=4 5157 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,2,0,0,0,0|2,0,0]=4 5158 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,2,0,0,0,0|2,0,0]=4 5159 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,2,0,0,0,0|2,0,0]=4 5160 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,2,0,0,0,0|2,0,0]=4 5161 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,2,0,0,0,0|2,0,0]=4 5162 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,2,0,0,0,0|2,0,0]=4 5169 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [0,2,0,0,0,0|1,0,0]=3 5171 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [0,2,0,0,0,0|1,0,0]=3 5172 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [0,2,0,0,0,0|2,0,0]=4 5174 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,2,0,0,0,0|1,0,0]=3 5178 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,2,0,0,0,0|1,0,0]=3 5179 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,2,0,0,0,0|1,0,0]=3 5180 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,2,0,0,0,0|1,0,0]=3 5181 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,2,0,0,0,0|1,0,0]=3 5182 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,2,0,0,0,0|2,0,0]=4 5183 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,2,0,0,0,0|2,0,0]=4 5184 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,2,0,0,0,0|2,0,0]=4 5185 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,2,0,0,0,0|2,0,0]=4 5193 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,2,0,0,0,0|1,0,0]=3 5194 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,2,0,0,0,0|1,0,0]=3 5195 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,2,0,0,0,0|1,0,0]=3 5196 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [0,2,0,0,0,0|1,0,0]=3 5198 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,2,0,0,0,0|1,0,0]=3 5199 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,2,0,0,0,0|2,0,0]=4 5200 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [0,2,0,0,0,0|1,0,0]=3 5207 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [0,2,0,0,0,0|1,0,0]=3 5208 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [0,2,0,0,0,0|1,0,0]=3 5209 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,2,0,0,0,0|1,0,0]=3 5211 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,2,0,0,0,0|1,0,0]=3 5212 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,2,0,0,0,0|2,0,0]=4 5213 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,2,0,0,0,0|2,0,0]=4 5214 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [0,2,0,0,0,0|1,0,0]=3 5215 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [0,2,0,0,0,0|1,0,0]=3 5216 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [0,2,0,0,0,0|2,0,0]=4 5217 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 5218 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,0,0,1,0,1|1,0,1]=4 5219 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,0,1,0,1|1,0,1]=4 5220 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,0,1,0,1|1,0,1]=4 5221 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,0,1,0,1|1,0,1]=4 5222 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,0,0,1,0,1|1,0,1]=4 5223 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,0,0,1,0,1|1,0,1]=4 5224 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,0,0,1,0,1|1,0,1]=4 5225 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,0,0,1,0,1|1,0,1]=4 5226 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,0,0,1,0,1|1,0,1]=4 5227 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,0,0,1,0,1|1,0,1]=4 5228 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,0,0,1,0,1|1,0,1]=4 5229 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,0,0,1,0,1|1,0,1]=4 5230 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,0,0,1,0,1|1,0,1]=4 5231 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,0,0,1,0,1|1,0,1]=4 5232 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|1,0,0]=3 5233 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|1,0,0]=3 5234 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,1,0,1,0,0|1,1,0]=4 5235 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,1,0,1,0,0|2,0,0]=4 5236 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,1,0,1,0,0|2,0,0]=4 5237 B12R2.606 Nc1ccc2nc(sc2c1)O 271570a_203496583355_100010253933 [0,1,0,1,0,0|1,1,0]=4 5238 B12R2.606 Nc1ccc2sc(nc2c1)O 271570a_203496583355_100010329861 [0,1,0,1,0,0|1,1,0]=4 5239 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,1,0,1,0,0|2,0,0]=4 5240 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,1,0,1,0,0|2,0,0]=4 5241 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,1,0,1,0,0|1,0,0]=3 5242 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,1,0,1,0,0|2,0,0]=4 5243 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [0,1,0,1,0,0|2,0,0]=4 5244 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,1,0,1,0,0|1,0,0]=3 5245 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,1,0,1,0,0|1,0,0]=3 5246 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,1,0,1,0,0|2,0,0]=4 5247 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,1,0,1,0,0|2,0,0]=4 5248 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [0,1,0,1,0,0|2,0,0]=4 5249 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,1,0,1,0,0|2,0,0]=4 5250 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,1,0,1,0,0|1,0,0]=3 5251 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,1,0,1,0,0|1,1,0]=4 5252 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,1,0,1,0,0|2,0,0]=4 5253 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,1,0,1,0,0|1,0,0]=3 5254 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,1,0,1,0,0|1,1,0]=4 5255 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,1,0,1,0,0|2,0,0]=4 5256 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [0,1,0,1,0,0|1,0,1]=4 5257 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [0,1,0,1,0,0|0,1,1]=4 5258 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [0,1,0,1,0,0|1,0,1]=4 5259 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,1,0,1,0,0|1,1,0]=4 5260 B12R2.606 Oc1nc2cc(ccc2s1)F 271570a_203496583355_200010206605 [0,1,0,1,0,0|1,1,0]=4 5261 B12R2.606 Oc1nc2ccc(cc2s1)F 271570a_203496583355_100000751617 [0,1,0,1,0,0|1,1,0]=4 5262 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,1,0,1,0,0|0,1,1]=4 5263 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|1,0,1]=4 5264 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,1,0,0|2,0,0]=4 5265 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,1,0,1,0,0|2,0,0]=4 5266 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,1,0,1,0,0|1,0,1]=4 5267 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,1,0,1,0,0|1,0,1]=4 5268 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,1,0,1,0,0|1,0,1]=4 5269 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,1,0,1,0,0|0,1,1]=4 5270 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,1,0,1,0,0|1,0,1]=4 5271 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,1,0,1,0,0|0,1,1]=4 5272 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,1,0,1,0,0|2,0,0]=4 5273 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [0,1,0,1,0,0|1,1,0]=4 5274 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,1,0,1,0,0|2,0,0]=4 5275 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,1,0,1,0,0|2,0,0]=4 5276 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [0,1,0,1,0,0|2,0,0]=4 5277 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,1,0,1,0,0|1,0,0]=3 5278 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,1,0,1,0,0|2,0,0]=4 5279 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,1,0,1,0,0|1,0,0]=3 5280 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,1,0,1,0,0|1,0,0]=3 5281 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,1,0,1,0,0|1,0,0]=3 5282 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [0,1,0,1,0,0|1,0,1]=4 5283 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [0,1,0,1,0,0|1,0,1]=4 5284 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [0,1,0,1,0,0|2,0,0]=4 5285 B12R2.202 Oc1nc2c(cccc2s1)F 271570a_203496583355_100010008856 [0,1,0,1,0,0|1,1,0]=4 5286 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,0,0,0,0,2|2,0,0]=4 5287 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,0,0,0,0,2|2,0,0]=4 5288 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,0,0,0,0,2|2,0,0]=4 5289 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,0,0,0,0,2|2,0,0]=4 5290 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,0,0,0,0,2|2,0,0]=4 5291 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,2|2,0,0]=4 5292 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,2|2,0,0]=4 5293 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,2|2,0,0]=4 5294 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,2|2,0,0]=4 5295 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,2|2,0,0]=4 5296 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,2|2,0,0]=4 5297 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,2|2,0,0]=4 5298 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,0,0,0,0,2|2,0,0]=4 5299 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,0,0,0,0,2|2,0,0]=4 5300 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,0,0,0,0,2|2,0,0]=4 5301 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,0,0,0,0,2|2,0,0]=4 5302 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,0,0,0,0,2|2,0,0]=4 5303 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,0,0,0,0,2|2,0,0]=4 5304 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,0,0,0,0,2|2,0,0]=4 5305 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,2|2,0,0]=4 5306 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,2|2,0,0]=4 5307 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,2|2,0,0]=4 5308 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,2|2,0,0]=4 5309 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,2|2,0,0]=4 5310 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,2|1,0,0]=3 5311 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,2|1,0,0]=3 5312 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,2|1,0,1]=4 5313 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,2|1,0,0]=3 5314 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,2|1,0,0]=3 5315 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,2|1,0,0]=3 5316 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,2|2,0,0]=4 5317 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,2|2,0,0]=4 5318 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,2|1,0,0]=3 5319 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,2|1,0,0]=3 5320 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,2|1,0,0]=3 5321 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,2|2,0,0]=4 5322 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,2|1,0,0]=3 5323 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,2|1,0,0]=3 5324 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,2|1,0,0]=3 5325 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,2|1,0,0]=3 5326 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,2|2,0,0]=4 5327 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,2|2,0,0]=4 5328 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,2|2,0,0]=4 5329 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,2|2,0,0]=4 5330 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,2|2,0,0]=4 5331 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,2|2,0,0]=4 5332 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,2|1,0,0]=3 5333 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,2|1,0,0]=3 5334 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,2|2,0,0]=4 5335 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,2|2,0,0]=4 5336 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,2|1,0,0]=3 5337 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,2|1,0,0]=3 5338 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,2|2,0,0]=4 5339 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 5340 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 5341 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 5342 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,2|1,0,0]=3 5343 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 5344 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 5345 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 5346 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,2|2,0,0]=4 5347 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 5348 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 5349 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 5350 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,2|2,0,0]=4 5351 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 5352 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 5353 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 5354 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,2|2,0,0]=4 5355 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,2|1,0,1]=4 5356 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,2|1,0,0]=3 5357 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,2|2,0,0]=4 5358 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,0,0,0,0,2|2,0,0]=4 5359 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,0,0,0,0,2|2,0,0]=4 5360 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,2|1,0,0]=3 5361 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,2|1,0,0]=3 5362 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,2|2,0,0]=4 5363 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,0,0,0,0,2|2,0,0]=4 5364 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,2|1,0,0]=3 5365 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,2|1,0,0]=3 5366 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,2|2,0,0]=4 5367 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,2|2,0,0]=4 5368 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,2|2,0,0]=4 5369 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,2|2,0,0]=4 5370 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,0,0,0,0,2|2,0,0]=4 5371 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,0,0,0,0,2|2,0,0]=4 5372 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,0,0,0,0,2|1,0,1]=4 5373 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,0,0,0,2|1,0,1]=4 5374 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,0,0,0,2|1,0,1]=4 5375 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,0,0,0,0,2|1,0,1]=4 5376 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,0,0,0,0,2|1,0,1]=4 5377 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,0,0,0,0,2|1,0,1]=4 5378 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,0,0,0,0,2|1,0,1]=4 5379 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,0,0,0,0,2|1,0,1]=4 5380 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,0,0,0,0,2|1,0,1]=4 5381 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,2|1,0,1]=4 5382 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,0,0,0,0,2|1,0,1]=4 5383 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,0,0,0,2|1,0,1]=4 5384 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,0,0,0,2|1,0,1]=4 5385 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,2|1,0,1]=4 5386 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,2|1,0,1]=4 5387 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,0,0,0,0,2|1,0,1]=4 5388 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,0,0,0,0,2|1,0,1]=4 5389 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,0,0,0,2|1,0,1]=4 5390 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,0,0,0,2|1,0,1]=4 5391 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,2|1,0,1]=4 5392 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,2|1,0,1]=4 5393 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,2|1,0,0]=3 5394 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,2|1,0,0]=3 5395 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,2|1,0,0]=3 5396 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,2|2,0,0]=4 5397 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,2|2,0,0]=4 5398 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,0,0,0,0,2|2,0,0]=4 5399 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,2|1,0,0]=3 5400 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,2|1,0,0]=3 5401 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,2|2,0,0]=4 5402 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,2|2,0,0]=4 5403 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,0,0,0,0,2|2,0,0]=4 5404 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,0,0,0,0,2|2,0,0]=4 5405 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,0,0,0,0,2|2,0,0]=4 5406 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,0,0,0,0,2|2,0,0]=4 5407 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,2|1,0,0]=3 5408 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,2|1,0,0]=3 5409 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,2|1,0,0]=3 5410 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,2|2,0,0]=4 5411 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,2|2,0,0]=4 5412 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,0,0,0,0,2|2,0,0]=4 5413 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,2|1,0,0]=3 5414 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,2|1,0,0]=3 5415 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,2|1,0,0]=3 5416 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,2|1,0,0]=3 5417 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,2|2,0,0]=4 5418 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,2|2,0,0]=4 5419 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,2|2,0,0]=4 5420 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,2|2,0,0]=4 5421 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,0,0,0,0,2|2,0,0]=4 5422 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,0,0,0,0,2|2,0,0]=4 5423 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,2|0,0,0]=2 5424 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,2|1,0,0]=3 5425 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,2|1,0,0]=3 5426 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,2|2,0,0]=4 5427 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,2|1,0,0]=3 5428 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,2|2,0,0]=4 5429 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [0,0,0,0,0,2|2,0,0]=4 5430 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,2|2,0,0]=4 5431 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,2|0,0,1]=3 5432 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,2|0,0,1]=3 5433 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,2|0,0,1]=3 5434 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,2|0,0,1]=3 5435 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,2|1,0,1]=4 5436 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,2|1,0,1]=4 5437 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,2|1,0,1]=4 5438 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,2|1,0,1]=4 5439 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,0,0,0,0,2|1,0,1]=4 5440 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,0,0,0,0,2|1,0,1]=4 5441 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,0,0,0,0,2|1,0,1]=4 5442 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,0,0,0,2|1,0,1]=4 5443 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,0,0,0,0,2|1,0,1]=4 5444 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,2|1,0,0]=3 5445 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,2|1,0,1]=4 5446 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,2|1,0,0]=3 5447 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,2|2,0,0]=4 5448 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,2|2,0,0]=4 5449 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,2|1,0,0]=3 5450 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,2|1,0,0]=3 5451 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,2|1,0,0]=3 5452 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,2|1,0,0]=3 5453 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,2|2,0,0]=4