0 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.18 CC(C)CN1CC=CCC1 2230a_100000698166_100000210760 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.18 CC(C)CN1CC=CCC1 269982a_100000698166_100000210624 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.18 CC(C)CN1CC=CCC1 270004a_100000698166_100000210432 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.18 CC(C)CN1CC=CCC1 34a_100000698166_100000210624 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.18 CC(C)Nc1cccnn1 27a_100138425928_100016991348 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.18 CC(C)Nc1ccncn1 27a_100138425928_100000703185 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.18 CC(C)Nc1ncccn1 27a_100138425928_100000211032 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.18 CC(C)Oc1ccnnc1 34a_100015204005_100000210206 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.18 CC(C)Oc1cncnc1 7a_100000754086_100000210206 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.18 CC(C)Sc1cccnn1 62a_100000210206_100016991348 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.18 CC(C)Sc1cccnn1 62a_100016991348_100000210206 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.18 CC(C)Sc1ccncn1 62a_100000210206_100000703185 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.18 CC(C)Sc1ccncn1 62a_100000703185_100000210206 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.18 CC(C)Sc1ccnnc1 62a_100000210206_100000732662 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.18 CC(C)Sc1ccnnc1 62a_100000732662_100000210206 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.18 CC(C)Sc1cncnc1 62a_100000210206_100011206942 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.18 CC(C)Sc1cncnc1 62a_100011206942_100000210206 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.18 CC(C)Sc1ncccn1 62a_100000210206_100000211032 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.18 CC(C)Sc1ncccn1 62a_100000211032_100000210206 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,0|1,0,0]=1 64 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,0|1,0,0]=1 65 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,0|1,0,0]=1 66 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,0|1,0,0]=1 67 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,0|1,0,0]=1 68 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.18 CN(C)Cc1ccnnc1 270004a_100102631434_100011934578 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.18 CN(C)Cc1cncnc1 2230a_100102631434_100015196519 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.18 CN(C)Cc1cncnc1 269982a_100102631434_100016991940 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.18 CN(C)Cc1cncnc1 270004a_100102631434_100000749868 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,0|2,0,0]=2 94 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,0|1,0,0]=1 95 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,0|1,0,0]=1 96 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,0|1,0,1]=2 106 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,0|3,0,1]=4 107 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|0,0,3]=4 108 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,2]=4 109 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|0,0,2]=3 110 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|1,0,2]=4 112 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|1,0,2]=4 113 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|1,0,2]=4 114 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|1,0,0]=2 127 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|1,0,0]=2 176 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|1,0,0]=2 183 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|1,0,0]=2 184 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.8 FCSc1cccnn1 62a_100015361967_100016991348 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.8 FCSc1cccnn1 62a_100016991348_100015361967 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.8 FCSc1ncccn1 62a_100000211032_100015361967 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.8 FCSc1ncccn1 62a_100015361967_100000211032 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|1,0,0]=2 217 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|1,0,0]=2 218 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,0,0,0,0,0|2,0,0]=3 228 B11R1.20 CC(=Cc1ccc(=O)[nH]n1)C 271570a_100102525489_100009820020 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,0|1,0,2]=4 231 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,0|1,0,2]=4 232 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,0|1,0,2]=4 233 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,0|1,0,2]=4 234 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,0|1,0,2]=4 235 B11R1.20 CC(=Cc1ccc(cn1)Br)C 271570a_100102525489_100000686858 [0,1,0,0,0,0|0,0,2]=3 236 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,1,0,0,0,0|0,0,2]=3 237 B11R1.20 CC(=Cc1ccc(cn1)Cl)C 271570a_100102525489_100011356976 [0,1,0,0,0,0|0,0,2]=3 238 B11R1.20 CC(=Cc1ccc(cn1)F)C 271570a_100102525489_100000744514 [0,1,0,0,0,0|0,0,2]=3 239 B11R1.20 CC(=Cc1ccc(cn1)N)C 271570a_100102525489_100000744251 [0,1,0,0,0,0|0,0,2]=3 240 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,1,0,0,0,0|0,0,2]=3 241 B11R1.20 CC(=Cc1ccc(nn1)C)C 271570a_100102525489_100011450037 [0,1,0,0,0,0|1,0,2]=4 242 B11R1.20 CC(=Cc1ccc(nn1)N)C 271570a_100102525489_100009816609 [0,1,0,0,0,0|1,0,2]=4 243 B11R1.20 CC(=Cc1cnc(cn1)C)C 271570a_100102525489_100011999403 [0,1,0,0,0,0|1,0,2]=4 244 B11R1.20 CC(=Cc1cnc(cn1)F)C 271570a_100102525489_100009856528 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.20 CC(=Cc1cnc(cn1)N)C 271570a_100102525489_100000761932 [0,1,0,0,0,0|1,0,2]=4 246 B11R1.20 CC(=Cc1ncc(cn1)Br)C 271570a_100102525489_100000690281 [0,1,0,0,0,0|1,0,2]=4 247 B11R1.20 CC(=Cc1ncc(cn1)C)C 271570a_100102525489_100011825175 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.20 CC(=Cc1ncc(cn1)Cl)C 271570a_100102525489_100011356929 [0,1,0,0,0,0|1,0,2]=4 249 B11R1.20 CC(=Cc1ncc(cn1)F)C 271570a_100102525489_100000685220 [0,1,0,0,0,0|1,0,2]=4 250 B11R1.20 CC(=Cc1ncc(cn1)N)C 271570a_100102525489_100000068403 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.20 CC(=Cc1ncc(cn1)O)C 271570a_100102525489_100000730009 [0,1,0,0,0,0|1,0,2]=4 252 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,0|1,0,1]=3 265 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,0|1,0,1]=3 266 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,0|1,0,1]=3 270 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,0|1,0,1]=3 271 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.20 CC(C)Nc1ccc(cn1)Br 27a_100138425928_100000686858 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.20 CC(C)Nc1ccc(nn1)O 271570a_203496583355_200011242954 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.20 CC(C)Nc1cnc(cn1)Br 27a_100138425928_100010187541 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.20 CC(C)Nc1cnc(cn1)F 27a_100138425928_100009856528 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.20 CC(C)Nc1cnc(nn1)N 27a_100138425928_100000691435 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.20 CC(C)Nc1ncc(cn1)Br 27a_100138425928_100000690281 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.20 CC(C)Nc1ncc(cn1)Cl 27a_100138425928_100011356929 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.20 CC(C)Nc1ncc(cn1)F 27a_100138425928_100000685220 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.20 CC(C)Nc1ncc(cn1)O 271570a_203496583355_100011934052 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [0,1,0,0,0,0|1,0,0]=2 307 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.20 CC(C)Oc1ccc(nn1)O 271570a_203496583355_100011211678 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.20 CC(C)Oc1cnc(cn1)Br 34a_100011934580_100000210206 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.20 CC(C)Oc1cnc(cn1)Cl 34a_100015839800_100000210206 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.20 CC(C)Oc1cnc(cn1)O 271570a_203496583355_200010967586 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.20 CC(C)Oc1ncc(cn1)F 34a_100011934040_100000210206 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.20 CC(C)Oc1ncc(cn1)O 271570a_203496583355_200011939451 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.20 CC(C)Sc1cc[n+](cc1)[O-] 62a_100000210206_100000039755 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000210206_100000212171 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000210206 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.20 CC(C)Sc1ccc(=O)[nH]n1 62a_100000210206_100009820020 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.20 CC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000210206 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000210206_100000686858 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000686858_100000210206 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [0,1,0,0,0,0|1,0,0]=2 344 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000210206_100000744514 [0,1,0,0,0,0|1,0,0]=2 345 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000744514_100000210206 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000210206_100000737798 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000737798_100000210206 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [0,1,0,0,0,0|1,0,0]=2 350 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100000210206_100009814638 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100009814638_100000210206 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000210206 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000210206_100000034144 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000042367_100000210206 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000210206_100000042367 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000187370_100000210206 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000210206_100000187370 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.20 CC(C)Sc1ccc(nn1)Cl 62a_100000068654_100000210206 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.20 CC(C)Sc1ccc(nn1)Cl 62a_100000210206_100000068654 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.20 CC(C)Sc1ccc(nn1)N 62a_100000210206_100010219413 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.20 CC(C)Sc1ccc(nn1)N 62a_100010219413_100000210206 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100000210206_100010187541 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100010187541_100000210206 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100000210206_100010214907 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100010214907_100000210206 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100000210206_100009856528 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100009856528_100000210206 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000210206_100000744751 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000744751_100000210206 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100000210206_100015839800 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100011934580_100000210206 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.20 CC(C)Sc1cnc(nn1)N 62a_100000210206_100000691435 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.20 CC(C)Sc1cnc(nn1)N 62a_100000691435_100000210206 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.20 CC(C)Sc1ncc(cn1)Br 62a_100000210206_100000690281 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.20 CC(C)Sc1ncc(cn1)Br 62a_100000690281_100000210206 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.20 CC(C)Sc1ncc(cn1)Cl 62a_100000210206_100011356929 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.20 CC(C)Sc1ncc(cn1)Cl 62a_100011356929_100000210206 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.20 CC(C)Sc1ncc(cn1)F 62a_100000210206_100000685220 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.20 CC(C)Sc1ncc(cn1)F 62a_100000685220_100000210206 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.20 CC(C)Sc1ncc(cn1)N 62a_100000068403_100000210206 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.20 CC(C)Sc1ncc(cn1)N 62a_100000210206_100000068403 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.20 CC(C)Sc1ncc(cn1)O 271570a_203496583355_200011939557 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000210206_100000092845 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000730009_100000210206 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.20 CN(C)Cc1ccc(=O)[nH]n1 270004a_100102631434_100011361533 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.20 CN(C)Cc1ccc(cn1)Br 2230a_100102631434_100000702658 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.20 CN(C)Cc1ccc(cn1)Br 269982a_100102631434_100000702658 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.20 CN(C)Cc1ccc(cn1)Br 270004a_100102631434_100000754260 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.20 CN(C)Cc1ccc(cn1)Cl 2230a_100102631434_100012066911 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.20 CN(C)Cc1ccc(cn1)Cl 269982a_100102631434_100000697101 [0,1,0,0,0,0|1,0,0]=2 413 B11R1.20 CN(C)Cc1ccc(cn1)Cl 270004a_100102631434_100011361569 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.20 CN(C)Cc1ccc(cn1)F 2230a_100102631434_100000703193 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.20 CN(C)Cc1ccc(cn1)F 269982a_100102631434_100000703193 [0,1,0,0,0,0|1,0,0]=2 416 B11R1.20 CN(C)Cc1ccc(cn1)F 270004a_100102631434_100011934744 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.20 CN(C)Cc1ccc(nc1)Br 2230a_100102631434_100009831999 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.20 CN(C)Cc1ccc(nc1)Br 269982a_100102631434_100009831999 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.20 CN(C)Cc1ccc(nc1)Cl 2230a_100000026953_200000210301 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.20 CN(C)Cc1ccc(nc1)Cl 2230a_100102631434_100000735431 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.20 CN(C)Cc1ccc(nc1)Cl 269982a_100000026953_200000210301 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.20 CN(C)Cc1ccc(nc1)Cl 269982a_100102631434_100000735431 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.20 CN(C)Cc1ccc(nc1)Cl 34a_100000026953_200000210301 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.20 CN(C)Cc1ccc(nc1)F 2230a_100102631434_100009820150 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.20 CN(C)Cc1ccc(nc1)F 269982a_100102631434_100009820150 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.20 CN(C)Cc1ccc(nn1)Cl 2230a_100102631434_100016992710 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.20 CN(C)Cc1ccc(nn1)Cl 270004a_100102631434_100000044651 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.20 CN(C)Cc1cnc(cn1)Cl 270004a_100102631434_100012001714 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.20 CN(C)Cc1ncc(cn1)Br 269982a_100102631434_100010064664 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 2230a_100000026953_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 269982a_100000026953_200025704644 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 34a_100000026953_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_100102631434_100016987292 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_106623407658_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_100102631434_100016987292 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_106623407658_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.20 Cc1ccc(cn1)CN(C)C 270004a_100102631434_100000743784 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.20 Cc1ccc(cn1)CN(C)C 34a_106623407658_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 2230a_106623407658_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 269982a_106623407658_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 34a_106623407658_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000210206_100000751577 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000751577_100000210206 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,0|1,0,1]=3 473 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [0,1,0,0,0,0|1,0,0]=2 474 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [0,1,0,0,0,0|1,0,0]=2 476 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.20 Cc1ccc(nn1)NC(C)C 27a_100138425928_100000744512 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.20 Cc1ccc(nn1)SC(C)C 62a_100000210206_100000744512 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.20 Cc1ccc(nn1)SC(C)C 62a_100000744512_100000210206 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.20 Cc1cnc(cn1)CN(C)C 2230a_100102631434_100000752025 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.20 Cc1cnc(cn1)CN(C)C 269982a_100102631434_100000752025 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.20 Cc1cnc(cn1)CN(C)C 270004a_100102631434_100000685221 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.20 Cc1cnc(cn1)NC(C)C 27a_100138425928_100000074397 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100000210206_100011999403 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100011999403_100000210206 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.20 Cc1cnc(nc1)CN(C)C 2230a_100102631434_100000685645 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.20 Cc1cnc(nc1)CN(C)C 269982a_100102631434_100000685645 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.20 Cc1cnc(nc1)NC(C)C 27a_100138425928_100000061069 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.20 Cc1cnc(nc1)SC(C)C 62a_100000061069_100000210206 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.20 Cc1cnc(nc1)SC(C)C 62a_100000210206_100000061069 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.20 Oc1ccc(nc1)OC(F)F 271570a_203496583355_100000695986 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,0|1,0,1]=3 505 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,0|1,0,1]=3 506 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|1,0,2]=4 507 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,0|0,0,2]=3 508 B11R1.36 CC(=C(C)c1cccnn1)C 271570a_200000049429_100016991348 [0,1,0,0,0,0|1,0,2]=4 509 B11R1.36 CC(=C(C)c1ccncn1)C 271570a_200000049429_100000703185 [0,1,0,0,0,0|1,0,2]=4 510 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [0,1,0,0,0,0|1,0,2]=4 511 B11R1.36 CC(=C(C)c1ncccn1)C 271570a_200000049429_100000211032 [0,1,0,0,0,0|1,0,2]=4 512 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,0|1,0,1]=3 514 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,0|1,0,1]=3 520 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.36 CC(C)N(C)c1cccnn1 27a_200000211004_100016991348 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.36 CC(C)N(C)c1ccncn1 27a_200000211004_100000703185 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.36 CC(C)N(C)c1cnccn1 27a_200000211004_100000211759 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.36 CC(C)N(C)c1ncccn1 27a_200000211004_100000211032 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,1,0,0,0,0|1,0,0]=2 542 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,1,0,0,0,0|1,0,0]=2 543 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,1,0,0,0,0|1,0,0]=2 544 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,1,0,0,0,0|1,0,0]=2 545 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.36 CC(c1cnccn1)N(C)C 2230a_100102631434_200000703233 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.36 CC(c1cnccn1)N(C)C 269982a_100102631434_200000703233 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.36 CC(c1ncccn1)N(C)C 270004a_100102631434_100011350828 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,0|1,0,2]=4 564 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.40 C#CC(C)Nc1cccnn1 27a_100000707721_100016991348 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.40 C#CC(C)Nc1ccncn1 27a_100000707721_100000703185 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.40 C#CC(C)Nc1cnccn1 27a_100000707721_100000211759 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.40 C#CC(C)Nc1ncccn1 27a_100000707721_100000211032 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.40 C#CC(C)Sc1ccccn1 62a_200000035995_100011216584 [0,1,0,0,0,0|1,0,1]=3 572 B11R1.40 C#CC(C)Sc1cccnn1 62a_200000035995_100016991348 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.40 C#CC(C)Sc1ccncn1 62a_200000035995_100000703185 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.40 C#CC(C)Sc1cnccn1 62a_200000035995_100000211759 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.40 C#CC(C)Sc1ncccn1 62a_200000035995_100000211032 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|1,0,2]=4 577 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,1,0,0,0,0|1,0,1]=3 579 B11R1.40 C=CC(C)Sc1cccnn1 62a_100011215867_100016991348 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.40 C=CC(C)Sc1ccncn1 62a_100011215867_100000703185 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.40 C=CC(C)Sc1cnccn1 62a_100011215867_100000211759 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.40 C=CC(C)Sc1ncccn1 62a_100011215867_100000211032 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.40 CC(C#N)Sc1ccccn1 62a_100000703298_100011216584 [0,1,0,0,0,0|1,0,1]=3 587 B11R1.40 CC(C#N)Sc1ccccn1 62a_100011216584_100000703298 [0,1,0,0,0,0|1,0,1]=3 588 B11R1.40 CC(C#N)Sc1cccnn1 62a_100000703298_100016991348 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.40 CC(C#N)Sc1cccnn1 62a_100016991348_100000703298 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.40 CC(C#N)Sc1ccncn1 62a_100000703185_100000703298 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.40 CC(C#N)Sc1ccncn1 62a_100000703298_100000703185 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000211759_100000703298 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000703298_100000211759 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.40 CC(C#N)Sc1ncccn1 62a_100000211032_100000703298 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.40 CC(C#N)Sc1ncccn1 62a_100000703298_100000211032 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.40 CC(CO)Sc1cccnn1 62a_100012180447_100016991348 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.40 CC(CO)Sc1ccncn1 62a_100012180447_100000703185 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.40 CC(CO)Sc1ncccn1 62a_100012180447_100000211032 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|1,0,0]=2 611 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|1,0,0]=2 612 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|1,0,0]=2 613 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|1,0,0]=2 614 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,0,0,0,0|0,0,0]=1 615 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,1,0,0,0,0|1,0,0]=2 617 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,0|1,0,1]=3 619 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,0|1,0,1]=3 620 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,1,0,0,0,0|1,0,0]=2 632 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,1,0,0,0,0|1,0,0]=2 633 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.40 CCC(C)Sc1cccnn1 62a_100000758301_100016991348 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.40 CCC(C)Sc1cccnn1 62a_100016991348_100000758301 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.40 CCC(C)Sc1ccncn1 62a_100000703185_100000758301 [0,1,0,0,0,0|2,0,0]=3 640 B11R1.40 CCC(C)Sc1ccncn1 62a_100000758301_100000703185 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.40 CCC(C)Sc1ncccn1 62a_100000211032_100000758301 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.40 CCC(C)Sc1ncccn1 62a_100000758301_100000211032 [0,1,0,0,0,0|2,0,0]=3 645 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,0|1,0,0]=2 652 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,0|1,0,0]=2 653 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,0|1,0,0]=2 654 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,0|1,0,0]=2 655 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,0|1,0,0]=2 656 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,0|1,0,0]=2 657 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.40 CCN(C)Cc1ncccn1 2230a_100000225621_100000703007 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.40 CCN(C)Cc1ncccn1 2230a_100025716638_100000210202 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.40 CCN(C)Cc1ncccn1 269982a_100000225621_100000703007 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.40 CCN(C)Cc1ncccn1 269982a_100025716638_100000204670 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,0|1,0,0]=2 681 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,0|1,0,0]=2 682 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,1,0,0,0,0|1,0,0]=2 688 B11R1.40 CN(CF)Cc1cccnc1 269982a_100000184577_100015361967 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.40 CN(CF)Cc1ccncc1 269982a_100000187231_100015361967 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.40 CN(CF)Cc1cnccn1 269982a_100011269079_100015361967 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.40 CN(CF)Cc1ncccn1 269982a_100025716638_100015361967 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,0|1,0,1]=3 693 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|1,0,0]=2 698 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|1,0,0]=2 699 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,0,0,0,0|0,0,0]=1 700 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,1,0,0,0,0|1,0,0]=2 704 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,1,0,0,0,0|1,0,0]=2 705 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|1,0,0]=2 706 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|1,0,0]=2 707 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|1,0,0]=2 708 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,1,0,0,0,0|1,0,0]=2 711 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,1,0,0,0,0|1,0,0]=2 712 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.40 COC(C)Sc1cccnn1 62a_100009879195_100016991348 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.40 COC(C)Sc1cccnn1 62a_100016991348_100009879195 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.40 COC(C)Sc1ccncn1 62a_100000703185_100009879195 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.40 COC(C)Sc1ccncn1 62a_100009879195_100000703185 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.40 COC(C)Sc1ncccn1 62a_100000211032_100009879195 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.40 COC(C)Sc1ncccn1 62a_100009879195_100000211032 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|1,0,0]=2 725 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.40 C[C@H](CF)Nc1cccnn1 27a_100102880703_100016991348 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.40 C[C@H](CF)Nc1ccncn1 27a_100102880703_100000703185 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.40 C[C@H](CF)Nc1cnccn1 27a_100102880703_100000211759 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.40 C[C@H](CF)Nc1ncccn1 27a_100102880703_100000211032 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.40 C[C@H](CO)Nc1cccnn1 27a_100000737577_100016991348 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.40 C[C@H](CO)Nc1ccncn1 27a_100000737577_100000703185 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.40 C[C@H](CO)Nc1ncccn1 27a_100000737577_100000211032 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,1,0,0,0,0|1,0,0]=2 738 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016084084_100016991348 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016991348_100016084084 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100000703185_100016084084 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100016084084_100000703185 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100000211032_100016084084 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100016084084_100000211032 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.40 N#CC(F)Sc1ccccn1 62a_100011216584_200000117898 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.40 N#CC(F)Sc1ccccn1 62a_200000117898_100011216584 [0,1,0,0,0,0|2,0,1]=4 752 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,0|1,0,1]=3 753 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|2,0,1]=4 754 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|1,0,1]=3 755 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,0|2,0,1]=4 757 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,1,0,0,0,0|0,0,3]=4 759 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [0,1,0,0,0,0|0,0,3]=4 760 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,1,0,0,0,0|1,0,2]=4 761 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,0,0|1,0,2]=4 762 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,1,0,0,0,0|1,0,2]=4 763 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,1,0,0,0,0|1,0,2]=4 764 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,1,0,0,0,0|1,0,2]=4 765 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,1,0,0,0,0|1,0,2]=4 766 B11R1.86 CC(=Cc1ncc[nH]c1=O)C 271570a_100102525489_100000763361 [0,1,0,0,0,0|1,0,2]=4 767 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,1,0,0,0,0|0,0,2]=3 768 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,1,0,0,0,0|0,0,2]=3 769 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,1,0,0,0,0|0,0,2]=3 770 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,1,0,0,0,0|0,0,2]=3 771 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,1,0,0,0,0|0,0,2]=3 772 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,1,0,0,0,0|0,0,2]=3 773 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,1,0,0,0,0|1,0,2]=4 774 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [0,1,0,0,0,0|1,0,2]=4 775 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [0,1,0,0,0,0|1,0,2]=4 776 B11R1.86 CC(=Cc1ncncc1C)C 271570a_100102525489_100011998708 [0,1,0,0,0,0|1,0,2]=4 777 B11R1.86 CC(=Cc1ncncc1F)C 271570a_100102525489_100000069762 [0,1,0,0,0,0|1,0,2]=4 778 B11R1.86 CC(=Cc1ncncc1N)C 271570a_100102525489_100000709731 [0,1,0,0,0,0|1,0,2]=4 779 B11R1.86 CC(=Cc1nnccc1C)C 271570a_100102525489_100000089043 [0,1,0,0,0,0|1,0,2]=4 780 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,0|2,0,1]=4 781 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,0|2,0,1]=4 782 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,0|2,0,1]=4 783 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,0|2,0,1]=4 784 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,0|2,0,1]=4 785 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,0|2,0,1]=4 789 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,0|2,0,1]=4 790 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,0|2,0,1]=4 791 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,0|1,0,1]=3 793 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,0|1,0,1]=3 794 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,0|1,0,1]=3 795 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,0|1,0,1]=3 796 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,0|1,0,1]=3 797 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,0|1,0,1]=3 798 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,0|1,0,1]=3 799 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,0|1,0,1]=3 800 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [0,1,0,0,0,0|2,0,0]=3 802 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [0,1,0,0,0,0|2,0,0]=3 804 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [0,1,0,0,0,0|2,0,0]=3 805 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,1,0,0,0,0|2,0,0]=3 807 B11R1.86 CC(C)Nc1ccncc1Br 27a_100138425928_100000726257 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.86 CC(C)Nc1ccncc1F 27a_100138425928_100000035921 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [0,1,0,0,0,0|1,0,0]=2 810 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.86 CC(C)Nc1ncncc1F 27a_100138425928_100000069762 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.86 CC(C)Nc1ncncc1N 27a_100138425928_100000709731 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.86 CC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000210206 [0,1,0,0,0,0|1,0,1]=3 814 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.86 CC(C)Oc1cccoc1=O 34a_100000077404_100000210206 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.86 CC(C)Oc1cccoc1=O 7a_100000077404_100000210206 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.86 CC(C)Oc1ccncc1Br 34a_100011996408_100000210206 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.86 CC(C)Oc1ccncc1Cl 34a_100011997054_100000210206 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.86 CC(C)Oc1ccncc1F 34a_200000081243_100000210206 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.86 CC(C)Oc1cnccc1Cl 34a_100011996695_100000210206 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.86 CC(C)Oc1cnccc1I 34a_100000050107_100000210206 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.86 CC(C)Oc1cnccc1N 34a_100000753702_100000210206 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.86 CC(C)Oc1coccc1=O 34a_100000060831_100000210206 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [0,1,0,0,0,0|1,0,0]=2 845 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [0,1,0,0,0,0|1,0,0]=2 846 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [0,1,0,0,0,0|1,0,0]=2 847 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [0,1,0,0,0,0|1,0,0]=2 848 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100000210206_100009998708 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000210206 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_100000210206_200012280681 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000210206 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.86 CC(C)Sc1cccc[n+]1C 62a_100000210206_100000212160 [0,1,0,0,0,0|1,0,1]=3 853 B11R1.86 CC(C)Sc1cccc[n+]1[O-] 62a_100000210206_200000042595 [0,1,0,0,0,0|1,0,1]=3 854 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [0,1,0,0,0,0|2,0,0]=3 855 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [0,1,0,0,0,0|2,0,0]=3 856 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [0,1,0,0,0,0|2,0,0]=3 860 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.86 CC(C)Sc1cccnc1Br 62a_100000210206_100010202626 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.86 CC(C)Sc1cccnc1Br 62a_100010202626_100000210206 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.86 CC(C)Sc1cccnc1F 62a_100000210206_100009816115 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.86 CC(C)Sc1cccnc1F 62a_100009816115_100000210206 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.86 CC(C)Sc1cccnc1N 62a_100000045569_100000210206 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.86 CC(C)Sc1cccnc1N 62a_100000210206_100000045569 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000210206_100000726257 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000726257_100000210206 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000210206_100000708259 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000708259_100000210206 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.86 CC(C)Sc1ccncc1F 62a_100000047030_100000210206 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.86 CC(C)Sc1ccncc1F 62a_100000210206_100000047030 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.86 CC(C)Sc1ccncc1N 62a_100000210206_100000756074 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.86 CC(C)Sc1ccncc1N 62a_100000756074_100000210206 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.86 CC(C)Sc1ccncc1O 62a_100000210206_100009817591 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.86 CC(C)Sc1ccncc1O 62a_100009817591_100000210206 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.86 CC(C)Sc1cnccc1Br 62a_100000210206_100010138639 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.86 CC(C)Sc1cnccc1Br 62a_100010138639_100000210206 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100000210206_100009995489 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100009995489_100000210206 [0,1,0,0,0,0|3,0,0]=4 888 B11R1.86 CC(C)Sc1cnccc1F 62a_100000210206_100009820683 [0,1,0,0,0,0|3,0,0]=4 889 B11R1.86 CC(C)Sc1cnccc1F 62a_100009820683_100000210206 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.86 CC(C)Sc1cnccc1N 62a_100000047001_100000210206 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.86 CC(C)Sc1cnccc1N 62a_100000210206_100000047001 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.86 CC(C)Sc1ncc[nH]c1=O 62a_100000210206_100000763361 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [0,1,0,0,0,0|1,0,0]=2 894 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [0,1,0,0,0,0|1,0,0]=2 895 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [0,1,0,0,0,0|1,0,0]=2 896 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [0,1,0,0,0,0|1,0,0]=2 897 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [0,1,0,0,0,0|1,0,0]=2 898 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [0,1,0,0,0,0|1,0,0]=2 899 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [0,1,0,0,0,0|1,0,0]=2 900 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [0,1,0,0,0,0|1,0,0]=2 901 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [0,1,0,0,0,0|1,0,0]=2 902 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [0,1,0,0,0,0|1,0,0]=2 903 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.86 CC(C)Sc1ncncc1F 62a_100000069762_100000210206 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.86 CC(C)Sc1ncncc1F 62a_100000210206_100000069762 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.86 CC(C)Sc1ncncc1N 62a_100000210206_100000709731 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.86 CC(C)Sc1ncncc1N 62a_100000709731_100000210206 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,1,0,0,0,0|2,0,0]=3 914 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,1,0,0,0,0|2,0,0]=3 916 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,1,0,0,0,0|2,0,0]=3 930 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.86 CN(C)Cc1cccnc1Br 2230a_100102631434_100010140945 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.86 CN(C)Cc1cccnc1Br 269982a_100102631434_100010140945 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_100102631434_100000045678 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_103496529121_200000210301 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_100102631434_100000045678 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_103496529121_200000210301 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.86 CN(C)Cc1cccnc1F 2230a_100102631434_100000099810 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.86 CN(C)Cc1cccnc1F 269982a_100102631434_100000099810 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.86 CN(C)Cc1ccncc1Br 270004a_100102631434_100000755692 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.86 CN(C)Cc1ccncc1Cl 2230a_100102631434_100000763264 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.86 CN(C)Cc1ccncc1Cl 269982a_100102631434_100000763264 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.86 CN(C)Cc1ccncc1Cl 270004a_100102631434_100011934409 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.86 CN(C)Cc1cnccc1Br 270004a_100102631434_100009816821 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.86 CN(C)Cc1cnccc1Cl 270004a_100102631434_100000050567 [0,1,0,0,0,0|3,0,0]=4 950 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [0,1,0,0,0,0|1,0,0]=2 951 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [0,1,0,0,0,0|1,0,0]=2 952 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [0,1,0,0,0,0|1,0,0]=2 953 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [0,1,0,0,0,0|1,0,0]=2 954 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [0,1,0,0,0,0|1,0,0]=2 955 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [0,1,0,0,0,0|1,0,0]=2 956 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [0,1,0,0,0,0|1,0,0]=2 957 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [0,1,0,0,0,0|1,0,0]=2 958 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,1,0,0,0,0|2,0,0]=3 966 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,1,0,0,0,0|2,0,0]=3 967 B11R1.86 CN([13CH3])Cc1cccnc1Cl 2230a_103496529121_200025704644 [0,1,0,0,0,0|3,0,0]=4 968 B11R1.86 CN([13CH3])Cc1cccnc1Cl 269982a_103496529121_200025704644 [0,1,0,0,0,0|3,0,0]=4 969 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,1,0,0,0,0|2,0,0]=3 971 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,1,0,0,0,0|2,0,0]=3 972 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,1,0,0,0,0|2,0,0]=3 977 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,1,0,0,0,0|2,0,0]=3 978 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,1,0,0,0,0|2,0,0]=3 981 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,1,0,0,0,0|2,0,0]=3 982 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,0|1,0,1]=3 983 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [0,1,0,0,0,0|1,0,0]=2 984 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [0,1,0,0,0,0|1,0,0]=2 985 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [0,1,0,0,0,0|1,0,0]=2 986 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [0,1,0,0,0,0|1,0,0]=2 987 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [0,1,0,0,0,0|1,0,0]=2 988 B11R1.86 Cc1ccncc1CN(C)C 2230a_100102631434_100000690890 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.86 Cc1ccncc1CN(C)C 269982a_100102631434_100000690890 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.86 Cc1ccncc1CN(C)C 270004a_100102631434_100000685662 [0,1,0,0,0,0|3,0,0]=4 991 B11R1.86 Cc1ccncc1OC(C)C 34a_100011997053_100000210206 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.86 Cc1ccncc1OC(C)C 7a_100011997053_100000210206 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.86 Cc1ccncc1SC(C)C 62a_100000210206_100000761580 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.86 Cc1ccncc1SC(C)C 62a_100000761580_100000210206 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.86 Cc1ccnnc1NC(C)C 27a_100138425928_100000089043 [0,1,0,0,0,0|2,0,0]=3 996 B11R1.86 Cc1ccnnc1SC(C)C 62a_100000210206_100000089043 [0,1,0,0,0,0|2,0,0]=3 997 B11R1.86 Cc1cnccc1CN(C)C 2230a_100015187836_200000210301 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.86 Cc1cnccc1CN(C)C 2230a_100102631434_100020672808 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.86 Cc1cnccc1CN(C)C 269982a_100015187836_200000210301 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.86 Cc1cnccc1CN(C)C 269982a_100102631434_100020672808 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.86 Cc1cnccc1CN(C)[13CH3] 2230a_100015187836_200025704644 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.86 Cc1cnccc1CN(C)[13CH3] 269982a_100015187836_200025704644 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.86 Cc1cnccc1NC(C)C 27a_100138425928_100000765111 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.86 Cc1cnccc1OC(C)C 34a_100000694293_100000210206 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.86 Cc1cnccc1SC(C)C 62a_100000210206_100000765111 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.86 Cc1cnccc1SC(C)C 62a_100000765111_100000210206 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.86 Cc1cncnc1NC(C)C 27a_100138425928_100011998708 [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.86 Cc1cncnc1SC(C)C 62a_100000210206_100011998708 [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.86 Cc1cncnc1SC(C)C 62a_100011998708_100000210206 [0,1,0,0,0,0|2,0,0]=3 1010 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.86 Cc1nccnc1CN(C)C 270004a_100102631434_100000050726 [0,1,0,0,0,0|2,0,0]=3 1022 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [0,1,0,0,0,0|2,0,0]=3 1023 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [0,1,0,0,0,0|2,0,0]=3 1024 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,0|2,0,1]=4 1027 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,0|2,0,1]=4 1028 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,0|2,0,1]=4 1029 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,0|2,0,1]=4 1030 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,0|2,0,1]=4 1031 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,0|1,0,1]=3 1032 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,0|1,0,1]=3 1033 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,0|2,0,1]=4 1034 B11R1.157 CC(=Cc1c[n+](ccn1)[O-])C 271570a_100102525489_100009880115 [0,1,0,0,0,0|1,0,2]=4 1035 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,1,0,0,0,0|0,0,2]=3 1036 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [0,1,0,0,0,0|0,0,2]=3 1037 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [0,1,0,0,0,0|0,0,2]=3 1038 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [0,1,0,0,0,0|0,0,2]=3 1039 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,1,0,0,0,0|0,0,2]=3 1040 B11R1.157 CC(=Cc1cc(cnn1)C)C 271570a_100102525489_100000070100 [0,1,0,0,0,0|1,0,2]=4 1041 B11R1.157 CC(=Cc1cc(cnn1)O)C 271570a_100102525489_200010734679 [0,1,0,0,0,0|1,0,2]=4 1042 B11R1.157 CC(=Cc1cc(ncn1)C)C 271570a_100102525489_100000744208 [0,1,0,0,0,0|1,0,2]=4 1043 B11R1.157 CC(=Cc1cc(ncn1)F)C 271570a_100102525489_200009880791 [0,1,0,0,0,0|1,0,2]=4 1044 B11R1.157 CC(=Cc1cc(ncn1)N)C 271570a_100102525489_100000701291 [0,1,0,0,0,0|1,0,2]=4 1045 B11R1.157 CC(=Cc1cc(ncn1)O)C 271570a_100102525489_100000765262 [0,1,0,0,0,0|1,0,2]=4 1046 B11R1.157 CC(=Cc1cc[nH]c(=O)n1)C 271570a_100102525489_200000134032 [0,1,0,0,0,0|1,0,2]=4 1047 B11R1.157 CC(=Cc1cccc(=O)[nH]1)C 271570a_100102525489_100000761760 [0,1,0,0,0,0|0,0,3]=4 1048 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,1,0,0,0,0|1,0,2]=4 1049 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,1,0,0,0,0|1,0,2]=4 1050 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,1,0,0,0,0|1,0,2]=4 1051 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,1,0,0,0,0|1,0,2]=4 1052 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,1,0,0,0,0|1,0,2]=4 1053 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,1,0,0,0,0|1,0,2]=4 1054 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,1,0,0,0,0|1,0,2]=4 1055 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [0,1,0,0,0,0|0,0,2]=3 1056 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,1,0,0,0,0|0,0,2]=3 1057 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [0,1,0,0,0,0|0,0,2]=3 1058 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [0,1,0,0,0,0|0,0,2]=3 1059 B11R1.157 CC(=Cc1ccnc(n1)C)C 271570a_100102525489_100000749937 [0,1,0,0,0,0|1,0,2]=4 1060 B11R1.157 CC(=Cc1ccnc(n1)N)C 271570a_100102525489_100009820717 [0,1,0,0,0,0|1,0,2]=4 1061 B11R1.157 CC(=Cc1cncc(n1)C)C 271570a_100102525489_100009842155 [0,1,0,0,0,0|1,0,2]=4 1062 B11R1.157 CC(=Cc1cncc(n1)F)C 271570a_100102525489_200009863489 [0,1,0,0,0,0|1,0,2]=4 1063 B11R1.157 CC(=Cc1cncc(n1)N)C 271570a_100102525489_100009819714 [0,1,0,0,0,0|1,0,2]=4 1064 B11R1.157 CC(=Cc1cncc(n1)O)C 271570a_100102525489_100011269956 [0,1,0,0,0,0|1,0,2]=4 1065 B11R1.157 CC(=Cc1nccc(n1)C)C 271570a_100102525489_100011243806 [0,1,0,0,0,0|1,0,2]=4 1066 B11R1.157 CC(=Cc1nccc(n1)N)C 271570a_100102525489_100000757536 [0,1,0,0,0,0|1,0,2]=4 1067 B11R1.157 CC(=Cc1nccc(n1)O)C 271570a_100102525489_100011649813 [0,1,0,0,0,0|1,0,2]=4 1068 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,0|1,0,1]=3 1069 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,0|1,0,1]=3 1070 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,0|1,0,1]=3 1071 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,0|2,0,1]=4 1072 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,0|2,0,1]=4 1073 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,0|2,0,1]=4 1074 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,0|2,0,1]=4 1075 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,0|2,0,1]=4 1076 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,0|2,0,1]=4 1077 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,0|2,0,1]=4 1078 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,0|2,0,1]=4 1079 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,0|2,0,1]=4 1080 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,0|2,0,1]=4 1081 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,0|1,0,1]=3 1085 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,0|1,0,1]=3 1086 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,0|1,0,1]=3 1087 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,0|1,0,1]=3 1088 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,0|1,0,1]=3 1089 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,0|1,0,1]=3 1090 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,0|1,0,1]=3 1091 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,0|1,0,1]=3 1092 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,0|2,0,1]=4 1093 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,0|2,0,1]=4 1094 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,0|2,0,1]=4 1095 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,1,0,0,0,0|1,0,0]=2 1096 B11R1.157 CC(C)Nc1c[n+](ccn1)[O-] 27a_100138425928_100009880115 [0,1,0,0,0,0|2,0,0]=3 1097 B11R1.157 CC(C)Nc1cc(ccn1)F 27a_100138425928_100000764206 [0,1,0,0,0,0|1,0,0]=2 1098 B11R1.157 CC(C)Nc1cc(ccn1)O 271570a_203496583355_200012354261 [0,1,0,0,0,0|1,0,0]=2 1099 B11R1.157 CC(C)Nc1cc(ncn1)F 27a_100138425928_200009880791 [0,1,0,0,0,0|2,0,0]=3 1100 B11R1.157 CC(C)Nc1cc(ncn1)N 27a_100138425928_100000701291 [0,1,0,0,0,0|2,0,0]=3 1101 B11R1.157 CC(C)Nc1cc(ncn1)O 271570a_203496583355_200011443281 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.157 CC(C)Nc1cc(ncn1)O 27a_100138425928_100000765262 [0,1,0,0,0,0|2,0,0]=3 1103 B11R1.157 CC(C)Nc1cc[nH]c(=O)c1 27a_100138425928_100000061649 [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.157 CC(C)Nc1cc[nH]c(=O)n1 27a_100138425928_200000134032 [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [0,1,0,0,0,0|2,0,0]=3 1106 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [0,1,0,0,0,0|2,0,0]=3 1109 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.157 CC(C)Nc1cccc(n1)F 27a_100138425928_100009815982 [0,1,0,0,0,0|1,0,0]=2 1112 B11R1.157 CC(C)Nc1ccnc(c1)F 27a_100138425928_100009816116 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.157 CC(C)Nc1ccnc(n1)N 27a_100138425928_100000055538 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.157 CC(C)Nc1cncc(n1)Cl 27a_100138425928_100010892449 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.157 CC(C)Nc1cncc(n1)F 27a_100138425928_200009863489 [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.157 CC(C)Nc1nccc(n1)N 27a_100138425928_100000757536 [0,1,0,0,0,0|2,0,0]=3 1117 B11R1.157 CC(C)Nc1nccc(n1)O 27a_100138425928_100011649813 [0,1,0,0,0,0|2,0,0]=3 1118 B11R1.157 CC(C)Nc1ncnc(n1)N 27a_100138425928_100000123831 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.157 CC(C)Oc1cc(ccn1)O 271570a_203496583355_100010247003 [0,1,0,0,0,0|1,0,0]=2 1120 B11R1.157 CC(C)Oc1cc(ncn1)O 271570a_203496583355_100011443165 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.157 CC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100000210206 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.157 CC(C)Oc1ccc[n+](c1)[O-] 34a_100000039713_100000210206 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.157 CC(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000210206 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.157 CC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100000210206 [0,1,0,0,0,0|1,0,1]=3 1125 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [0,1,0,0,0,0|2,0,0]=3 1126 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [0,1,0,0,0,0|2,0,0]=3 1127 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [0,1,0,0,0,0|2,0,0]=3 1130 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [0,1,0,0,0,0|2,0,0]=3 1131 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [0,1,0,0,0,0|2,0,0]=3 1132 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [0,1,0,0,0,0|2,0,0]=3 1133 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [0,1,0,0,0,0|2,0,0]=3 1134 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,1,0,0,0,0|2,0,0]=3 1135 B11R1.157 CC(C)Oc1cccc(n1)F 34a_100011432558_100000210206 [0,1,0,0,0,0|1,0,0]=2 1136 B11R1.157 CC(C)Oc1cccc(n1)O 271570a_203496583355_100000703025 [0,1,0,0,0,0|1,0,0]=2 1137 B11R1.157 CC(C)Oc1ccnc(c1)Cl 34a_100000762945_100000210206 [0,1,0,0,0,0|3,0,0]=4 1138 B11R1.157 CC(C)Oc1ccnc(c1)F 34a_100000732698_100000210206 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.157 CC(C)Oc1ccnc(c1)N 34a_100011834064_100000210206 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.157 CC(C)Oc1ccnc(n1)O 271570a_203496583355_100011649790 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.157 CC(C)Oc1cncc(c1)Br 34a_100000754920_100000210206 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.157 CC(C)Oc1cncc(c1)Br 7a_100000754920_100000210206 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.157 CC(C)Oc1cncc(c1)Cl 7a_100000032511_100000210206 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.157 CC(C)Oc1cncc(c1)F 34a_100011830296_100000210206 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.157 CC(C)Oc1cncc(c1)F 7a_100011830296_100000210206 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.157 CC(C)Oc1cncc(c1)N 34a_100011997051_100000210206 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.157 CC(C)Oc1cncc(c1)O 271570a_203496583355_100012029599 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.157 CC(C)Sc1c[n+](ccn1)[O-] 62a_100000210206_100009880115 [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.157 CC(C)Sc1cc(=O)[nH]cn1 62a_100012002517_100000210206 [0,1,0,0,0,0|2,0,0]=3 1150 B11R1.157 CC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000210206 [0,1,0,0,0,0|1,0,1]=3 1151 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100000210206_100010167805 [0,1,0,0,0,0|1,0,0]=2 1152 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000210206 [0,1,0,0,0,0|1,0,0]=2 1153 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000210206_100000764206 [0,1,0,0,0,0|1,0,0]=2 1154 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000764206_100000210206 [0,1,0,0,0,0|1,0,0]=2 1155 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100000210206_100009814236 [0,1,0,0,0,0|1,0,0]=2 1156 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100009814236_100000210206 [0,1,0,0,0,0|1,0,0]=2 1157 B11R1.157 CC(C)Sc1cc(ccn1)O 62a_100000210206_100000762945 [0,1,0,0,0,0|1,0,0]=2 1158 B11R1.157 CC(C)Sc1cc(cnn1)N 62a_100000210206_100011996757 [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.157 CC(C)Sc1cc(cnn1)N 62a_100011996757_100000210206 [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.157 CC(C)Sc1cc(cnn1)O 62a_100000210206_200010734679 [0,1,0,0,0,0|2,0,0]=3 1161 B11R1.157 CC(C)Sc1cc(ncn1)Cl 62a_100000210206_100010161198 [0,1,0,0,0,0|2,0,0]=3 1162 B11R1.157 CC(C)Sc1cc(ncn1)Cl 62a_100010161198_100000210206 [0,1,0,0,0,0|2,0,0]=3 1163 B11R1.157 CC(C)Sc1cc(ncn1)F 62a_100000210206_200009880791 [0,1,0,0,0,0|2,0,0]=3 1164 B11R1.157 CC(C)Sc1cc(ncn1)F 62a_200009880791_100000210206 [0,1,0,0,0,0|2,0,0]=3 1165 B11R1.157 CC(C)Sc1cc(ncn1)N 62a_100000210206_100000701291 [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.157 CC(C)Sc1cc(ncn1)N 62a_100000701291_100000210206 [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.157 CC(C)Sc1cc(ncn1)O 62a_100000210206_100000765262 [0,1,0,0,0,0|2,0,0]=3 1168 B11R1.157 CC(C)Sc1cc[nH]c(=O)c1 62a_100000210206_100009816521 [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.157 CC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100000210206 [0,1,0,0,0,0|3,0,0]=4 1170 B11R1.157 CC(C)Sc1cc[nH]c(=O)n1 62a_100000210206_200000134032 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100000210206_100009996589 [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100009996589_100000210206 [0,1,0,0,0,0|3,0,0]=4 1173 B11R1.157 CC(C)Sc1ccc[n+](c1)[O-] 62a_100000210206_100009815978 [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.157 CC(C)Sc1cccc(=O)[nH]1 62a_100000210206_100000752884 [0,1,0,0,0,0|1,0,1]=3 1175 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [0,1,0,0,0,0|2,0,0]=3 1177 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [0,1,0,0,0,0|2,0,0]=3 1179 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [0,1,0,0,0,0|2,0,0]=3 1180 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [0,1,0,0,0,0|2,0,0]=3 1181 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [0,1,0,0,0,0|2,0,0]=3 1182 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [0,1,0,0,0,0|2,0,0]=3 1183 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [0,1,0,0,0,0|2,0,0]=3 1185 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [0,1,0,0,0,0|2,0,0]=3 1186 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000210206_100000684672 [0,1,0,0,0,0|1,0,0]=2 1188 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000684672_100000210206 [0,1,0,0,0,0|1,0,0]=2 1189 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000051397_100000210206 [0,1,0,0,0,0|1,0,0]=2 1190 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000210206_100000051397 [0,1,0,0,0,0|1,0,0]=2 1191 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100000210206_100009815982 [0,1,0,0,0,0|1,0,0]=2 1192 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100009815982_100000210206 [0,1,0,0,0,0|1,0,0]=2 1193 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000210206_100000740741 [0,1,0,0,0,0|1,0,0]=2 1194 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000740741_100000210206 [0,1,0,0,0,0|1,0,0]=2 1195 B11R1.157 CC(C)Sc1ccnc(c1)Br 62a_100000210206_100009814637 [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.157 CC(C)Sc1ccnc(c1)Br 62a_100009814637_100000210206 [0,1,0,0,0,0|3,0,0]=4 1197 B11R1.157 CC(C)Sc1ccnc(c1)Cl 62a_100000035001_100000210206 [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.157 CC(C)Sc1ccnc(c1)Cl 62a_100000210206_100000035001 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.157 CC(C)Sc1ccnc(c1)F 62a_100000210206_100009816116 [0,1,0,0,0,0|3,0,0]=4 1200 B11R1.157 CC(C)Sc1ccnc(c1)F 62a_100009816116_100000210206 [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.157 CC(C)Sc1ccnc(c1)N 62a_100000049665_100000210206 [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.157 CC(C)Sc1ccnc(c1)N 62a_100000210206_100000049665 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.157 CC(C)Sc1ccnc(n1)Cl 62a_100000210206_100010154678 [0,1,0,0,0,0|2,0,0]=3 1204 B11R1.157 CC(C)Sc1ccnc(n1)Cl 62a_100010154678_100000210206 [0,1,0,0,0,0|2,0,0]=3 1205 B11R1.157 CC(C)Sc1ccnc(n1)N 62a_100000055538_100000210206 [0,1,0,0,0,0|2,0,0]=3 1206 B11R1.157 CC(C)Sc1ccnc(n1)N 62a_100000210206_100000055538 [0,1,0,0,0,0|2,0,0]=3 1207 B11R1.157 CC(C)Sc1cncc(c1)Br 62a_100000210206_100000728054 [0,1,0,0,0,0|3,0,0]=4 1208 B11R1.157 CC(C)Sc1cncc(c1)Br 62a_100000728054_100000210206 [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.157 CC(C)Sc1cncc(c1)Cl 62a_100000049639_100000210206 [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.157 CC(C)Sc1cncc(c1)Cl 62a_100000210206_100000049639 [0,1,0,0,0,0|3,0,0]=4 1211 B11R1.157 CC(C)Sc1cncc(c1)F 62a_100000210206_100000744099 [0,1,0,0,0,0|3,0,0]=4 1212 B11R1.157 CC(C)Sc1cncc(c1)F 62a_100000744099_100000210206 [0,1,0,0,0,0|3,0,0]=4 1213 B11R1.157 CC(C)Sc1cncc(c1)N 62a_100000210206_100000687067 [0,1,0,0,0,0|3,0,0]=4 1214 B11R1.157 CC(C)Sc1cncc(c1)N 62a_100000687067_100000210206 [0,1,0,0,0,0|3,0,0]=4 1215 B11R1.157 CC(C)Sc1cncc(c1)O 62a_100000210206_100000754920 [0,1,0,0,0,0|3,0,0]=4 1216 B11R1.157 CC(C)Sc1cncc(c1)O 62a_100000754920_100000210206 [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100000210206_100010892449 [0,1,0,0,0,0|2,0,0]=3 1218 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100010892449_100000210206 [0,1,0,0,0,0|2,0,0]=3 1219 B11R1.157 CC(C)Sc1cncc(n1)F 62a_100000210206_200009863489 [0,1,0,0,0,0|2,0,0]=3 1220 B11R1.157 CC(C)Sc1cncc(n1)F 62a_200009863489_100000210206 [0,1,0,0,0,0|2,0,0]=3 1221 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000210206_100000747728 [0,1,0,0,0,0|2,0,0]=3 1222 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000747728_100000210206 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.157 CC(C)Sc1cncc(n1)O 62a_100000210206_100011269956 [0,1,0,0,0,0|2,0,0]=3 1224 B11R1.157 CC(C)Sc1nccc(n1)N 62a_100000210206_100000757536 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.157 CC(C)Sc1nccc(n1)N 62a_100000757536_100000210206 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.157 CC(C)Sc1nccc(n1)O 62a_100000210206_100011649813 [0,1,0,0,0,0|2,0,0]=3 1227 B11R1.157 CC(C)Sc1ncnc(n1)N 62a_100000123831_100000210206 [0,1,0,0,0,0|3,0,0]=4 1228 B11R1.157 CC(C)Sc1ncnc(n1)N 62a_100000210206_100000123831 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.157 CN(C)Cc1cc(ccn1)Br 2230a_100102631434_100010173614 [0,1,0,0,0,0|1,0,0]=2 1230 B11R1.157 CN(C)Cc1cc(ccn1)Br 269982a_100102631434_100010173614 [0,1,0,0,0,0|1,0,0]=2 1231 B11R1.157 CN(C)Cc1cc(ccn1)Br 270004a_100102631434_100009818557 [0,1,0,0,0,0|1,0,0]=2 1232 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102631434_100016988179 [0,1,0,0,0,0|1,0,0]=2 1233 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102954512_200000210301 [0,1,0,0,0,0|1,0,0]=2 1234 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102631434_100016988179 [0,1,0,0,0,0|1,0,0]=2 1235 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102954512_200000210301 [0,1,0,0,0,0|1,0,0]=2 1236 B11R1.157 CN(C)Cc1cc(ccn1)Cl 270004a_100102631434_100011998288 [0,1,0,0,0,0|1,0,0]=2 1237 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [0,1,0,0,0,0|2,0,0]=3 1238 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [0,1,0,0,0,0|2,0,0]=3 1239 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [0,1,0,0,0,0|2,0,0]=3 1240 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [0,1,0,0,0,0|2,0,0]=3 1242 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [0,1,0,0,0,0|2,0,0]=3 1243 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [0,1,0,0,0,0|2,0,0]=3 1244 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [0,1,0,0,0,0|2,0,0]=3 1245 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [0,1,0,0,0,0|2,0,0]=3 1249 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [0,1,0,0,0,0|2,0,0]=3 1250 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [0,1,0,0,0,0|2,0,0]=3 1251 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [0,1,0,0,0,0|2,0,0]=3 1253 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [0,1,0,0,0,0|2,0,0]=3 1254 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [0,1,0,0,0,0|2,0,0]=3 1255 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [0,1,0,0,0,0|2,0,0]=3 1256 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [0,1,0,0,0,0|2,0,0]=3 1257 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [0,1,0,0,0,0|2,0,0]=3 1258 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [0,1,0,0,0,0|2,0,0]=3 1259 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [0,1,0,0,0,0|2,0,0]=3 1260 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_100102631434_100009889011 [0,1,0,0,0,0|1,0,0]=2 1263 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_106354212997_200000210301 [0,1,0,0,0,0|1,0,0]=2 1264 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_100102631434_100009889011 [0,1,0,0,0,0|1,0,0]=2 1265 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_106354212997_200000210301 [0,1,0,0,0,0|1,0,0]=2 1266 B11R1.157 CN(C)Cc1cccc(n1)Br 270004a_100102631434_100000688028 [0,1,0,0,0,0|1,0,0]=2 1267 B11R1.157 CN(C)Cc1cccc(n1)Cl 2230a_100102631434_100000086093 [0,1,0,0,0,0|1,0,0]=2 1268 B11R1.157 CN(C)Cc1cccc(n1)Cl 269982a_100102631434_100000086093 [0,1,0,0,0,0|1,0,0]=2 1269 B11R1.157 CN(C)Cc1cccc(n1)Cl 270004a_100102631434_100011361687 [0,1,0,0,0,0|1,0,0]=2 1270 B11R1.157 CN(C)Cc1cccc(n1)F 2230a_100102631434_100009819644 [0,1,0,0,0,0|1,0,0]=2 1271 B11R1.157 CN(C)Cc1cccc(n1)F 269982a_100102631434_100009819644 [0,1,0,0,0,0|1,0,0]=2 1272 B11R1.157 CN(C)Cc1cccc(n1)F 270004a_100102631434_100000050434 [0,1,0,0,0,0|1,0,0]=2 1273 B11R1.157 CN(C)Cc1ccnc(c1)Br 2230a_100102631434_100010243470 [0,1,0,0,0,0|3,0,0]=4 1274 B11R1.157 CN(C)Cc1ccnc(c1)Br 269982a_100102631434_100010254460 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.157 CN(C)Cc1ccnc(c1)Br 270004a_100102631434_100009814634 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.157 CN(C)Cc1ccnc(c1)Cl 2230a_100102631434_100000764220 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.157 CN(C)Cc1ccnc(c1)Cl 269982a_100102631434_100000764220 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.157 CN(C)Cc1ccnc(c1)Cl 270004a_100102631434_100011290808 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.157 CN(C)Cc1ccnc(c1)F 270004a_100102631434_100000068331 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.157 CN(C)Cc1ccnc(n1)Cl 2230a_100102631434_100000099655 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.157 CN(C)Cc1ccnc(n1)Cl 269982a_100102631434_100000099655 [0,1,0,0,0,0|2,0,0]=3 1282 B11R1.157 CN(C)Cc1cncc(c1)Br 2230a_100102631434_100000738771 [0,1,0,0,0,0|3,0,0]=4 1283 B11R1.157 CN(C)Cc1cncc(c1)Br 2230a_103549770560_200000210301 [0,1,0,0,0,0|3,0,0]=4 1284 B11R1.157 CN(C)Cc1cncc(c1)Br 269982a_100102631434_100000738771 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.157 CN(C)Cc1cncc(c1)Br 269982a_103549770560_200000210301 [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.157 CN(C)Cc1cncc(c1)Br 270004a_100102631434_100000687066 [0,1,0,0,0,0|3,0,0]=4 1287 B11R1.157 CN(C)Cc1cncc(c1)Cl 2230a_100102631434_100016992070 [0,1,0,0,0,0|3,0,0]=4 1288 B11R1.157 CN(C)Cc1cncc(c1)Cl 269982a_100102631434_100016992070 [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.157 CN(C)Cc1cncc(c1)Cl 270004a_100102631434_100000088910 [0,1,0,0,0,0|3,0,0]=4 1290 B11R1.157 CN(C)Cc1cncc(c1)F 2230a_100102631434_100000725299 [0,1,0,0,0,0|3,0,0]=4 1291 B11R1.157 CN(C)Cc1cncc(c1)F 269982a_100102631434_100000725299 [0,1,0,0,0,0|3,0,0]=4 1292 B11R1.157 CN(C)Cc1cncc(c1)F 270004a_100102631434_100011361476 [0,1,0,0,0,0|3,0,0]=4 1293 B11R1.157 CN(C)Cc1cncc(c1)O 270004a_100102631434_100012187055 [0,1,0,0,0,0|3,0,0]=4 1294 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 2230a_100102954512_200025704644 [0,1,0,0,0,0|1,0,0]=2 1295 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 269982a_100102954512_200025704644 [0,1,0,0,0,0|1,0,0]=2 1296 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [0,1,0,0,0,0|2,0,0]=3 1300 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [0,1,0,0,0,0|2,0,0]=3 1301 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [0,1,0,0,0,0|2,0,0]=3 1303 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [0,1,0,0,0,0|2,0,0]=3 1304 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [0,1,0,0,0,0|2,0,0]=3 1305 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 2230a_106354212997_200025704644 [0,1,0,0,0,0|1,0,0]=2 1306 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 269982a_106354212997_200025704644 [0,1,0,0,0,0|1,0,0]=2 1307 B11R1.157 CN([13CH3])Cc1cncc(c1)Br 2230a_103549770560_200025704644 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.157 CN([13CH3])Cc1cncc(c1)Br 269982a_103549770560_200025704644 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.157 Cc1cc(ccn1)CN(C)C 2230a_100102631434_200020672517 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.157 Cc1cc(ccn1)CN(C)C 269982a_100102631434_200020672517 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.157 Cc1cc(ccn1)CN(C)C 270004a_100102631434_100011361630 [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.157 Cc1cc(ccn1)NC(C)C 27a_100138425928_100000758586 [0,1,0,0,0,0|3,0,0]=4 1313 B11R1.157 Cc1cc(ccn1)OC(C)C 34a_100000688365_100000210206 [0,1,0,0,0,0|3,0,0]=4 1314 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000210206_100000758586 [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000758586_100000210206 [0,1,0,0,0,0|3,0,0]=4 1316 B11R1.157 Cc1cc(ncn1)NC(C)C 27a_100138425928_100000744208 [0,1,0,0,0,0|2,0,0]=3 1317 B11R1.157 Cc1cc(ncn1)SC(C)C 62a_100000210206_100000744208 [0,1,0,0,0,0|2,0,0]=3 1318 B11R1.157 Cc1cc(ncn1)SC(C)C 62a_100000744208_100000210206 [0,1,0,0,0,0|2,0,0]=3 1319 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,0|2,0,1]=4 1320 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [0,1,0,0,0,0|2,0,0]=3 1321 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [0,1,0,0,0,0|2,0,0]=3 1322 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [0,1,0,0,0,0|2,0,0]=3 1323 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [0,1,0,0,0,0|2,0,0]=3 1324 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [0,1,0,0,0,0|2,0,0]=3 1325 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [0,1,0,0,0,0|2,0,0]=3 1327 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [0,1,0,0,0,0|2,0,0]=3 1328 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [0,1,0,0,0,0|2,0,0]=3 1329 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [0,1,0,0,0,0|2,0,0]=3 1330 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [0,1,0,0,0,0|2,0,0]=3 1331 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [0,1,0,0,0,0|2,0,0]=3 1332 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [0,1,0,0,0,0|2,0,0]=3 1333 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [0,1,0,0,0,0|2,0,0]=3 1334 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [0,1,0,0,0,0|2,0,0]=3 1335 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,0|1,0,1]=3 1336 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100000687132_200000210301 [0,1,0,0,0,0|1,0,0]=2 1337 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100102631434_100000757606 [0,1,0,0,0,0|1,0,0]=2 1338 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100000687132_200000210301 [0,1,0,0,0,0|1,0,0]=2 1339 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100102631434_100000757606 [0,1,0,0,0,0|1,0,0]=2 1340 B11R1.157 Cc1cccc(n1)CN(C)C 270004a_100102631434_100011215050 [0,1,0,0,0,0|1,0,0]=2 1341 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 2230a_100000687132_200025704644 [0,1,0,0,0,0|1,0,0]=2 1342 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 269982a_100000687132_200025704644 [0,1,0,0,0,0|1,0,0]=2 1343 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000210206_100000742759 [0,1,0,0,0,0|1,0,0]=2 1344 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000742759_100000210206 [0,1,0,0,0,0|1,0,0]=2 1345 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_100102631434_100000718516 [0,1,0,0,0,0|1,0,0]=2 1346 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_106354213154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1347 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_100102631434_100000718516 [0,1,0,0,0,0|1,0,0]=2 1348 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_106354213154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1349 B11R1.157 Cc1ccnc(c1)CN(C)C 270004a_100102631434_100011361488 [0,1,0,0,0,0|1,0,0]=2 1350 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 2230a_106354213154_200025704644 [0,1,0,0,0,0|1,0,0]=2 1351 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 269982a_106354213154_200025704644 [0,1,0,0,0,0|1,0,0]=2 1352 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000210206_100000750283 [0,1,0,0,0,0|1,0,0]=2 1353 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000750283_100000210206 [0,1,0,0,0,0|1,0,0]=2 1354 B11R1.157 Cc1ccnc(n1)NC(C)C 27a_100138425928_100000750684 [0,1,0,0,0,0|2,0,0]=3 1355 B11R1.157 Cc1ccnc(n1)SC(C)C 62a_100000210206_100011243806 [0,1,0,0,0,0|2,0,0]=3 1356 B11R1.157 Cc1ccnc(n1)SC(C)C 62a_100011243806_100000210206 [0,1,0,0,0,0|2,0,0]=3 1357 B11R1.157 Cc1cncc(c1)CN(C)C 2230a_100102631434_100000716715 [0,1,0,0,0,0|3,0,0]=4 1358 B11R1.157 Cc1cncc(c1)CN(C)C 269982a_100102631434_100000716715 [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.157 Cc1cncc(c1)CN(C)C 270004a_100102631434_100011998712 [0,1,0,0,0,0|3,0,0]=4 1360 B11R1.157 Cc1cncc(c1)OC(C)C 34a_100011830280_100000210206 [0,1,0,0,0,0|3,0,0]=4 1361 B11R1.157 Cc1cncc(c1)OC(C)C 7a_100011830280_100000210206 [0,1,0,0,0,0|3,0,0]=4 1362 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000210206_100000760492 [0,1,0,0,0,0|3,0,0]=4 1363 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000760492_100000210206 [0,1,0,0,0,0|3,0,0]=4 1364 B11R1.157 Cc1cncc(n1)CN(C)C 270004a_100102631434_100000100294 [0,1,0,0,0,0|2,0,0]=3 1365 B11R1.157 Cc1cncc(n1)NC(C)C 27a_100138425928_100000754123 [0,1,0,0,0,0|2,0,0]=3 1366 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000210206_100000754123 [0,1,0,0,0,0|2,0,0]=3 1367 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000754123_100000210206 [0,1,0,0,0,0|2,0,0]=3 1368 B11R1.157 Cc1cnnc(c1)NC(C)C 27a_100138425928_100000070100 [0,1,0,0,0,0|2,0,0]=3 1369 B11R1.157 Cc1cnnc(c1)OC(C)C 34a_100000766097_100000210206 [0,1,0,0,0,0|2,0,0]=3 1370 B11R1.157 Cc1cnnc(c1)SC(C)C 62a_100000070100_100000210206 [0,1,0,0,0,0|2,0,0]=3 1371 B11R1.157 Cc1cnnc(c1)SC(C)C 62a_100000210206_100000070100 [0,1,0,0,0,0|2,0,0]=3 1372 B11R1.157 Cc1nccc(n1)CN(C)C 270004a_100102631434_100011361539 [0,1,0,0,0,0|2,0,0]=3 1373 B11R1.157 Cc1nccc(n1)NC(C)C 27a_100138425928_100000749937 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.157 Cc1nccc(n1)SC(C)C 62a_100000210206_100000749937 [0,1,0,0,0,0|2,0,0]=3 1375 B11R1.157 Cc1nccc(n1)SC(C)C 62a_100000749937_100000210206 [0,1,0,0,0,0|2,0,0]=3 1376 B11R1.157 Oc1cccc(n1)OC(F)F 271570a_203496583355_100010172928 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.157 Oc1ccnc(c1)OC(F)F 271570a_203496583355_100010184862 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,0|2,0,1]=4 1379 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,0|2,0,1]=4 1380 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,0|2,0,1]=4 1381 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,0|2,0,1]=4 1382 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,0|2,0,1]=4 1383 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,0|1,0,1]=3 1384 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,0|1,0,1]=3 1385 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,0|1,0,1]=3 1386 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [0,1,0,0,0,0|2,0,0]=3 1387 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [0,1,0,0,0,0|2,0,0]=3 1388 B11R1.509 CC(C)(C)Oc1cccnc1 34a_100000210849_100000210625 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.509 CC(C)(C)Oc1ccncc1 34a_100000212176_100000210625 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000211941_100000041952 [0,1,0,0,0,0|2,0,0]=3 1391 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000719477_100000211941 [0,1,0,0,0,0|2,0,0]=3 1392 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100000211941_100011216584 [0,1,0,0,0,0|1,0,0]=2 1393 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100011216584_100000211941 [0,1,0,0,0,0|1,0,0]=2 1394 B11R1.509 CC(C)(C)Sc1cccnc1 62a_100000210063_100000211941 [0,1,0,0,0,0|3,0,0]=4 1395 B11R1.509 CC(C)(C)Sc1cccnc1 62a_100000211941_100000210063 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.509 CC(C)(C)Sc1cccnn1 62a_100000211941_100016991348 [0,1,0,0,0,0|2,0,0]=3 1397 B11R1.509 CC(C)(C)Sc1cccnn1 62a_100016991348_100000211941 [0,1,0,0,0,0|2,0,0]=3 1398 B11R1.509 CC(C)(C)Sc1ccncc1 62a_100000211941_100000728582 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.509 CC(C)(C)Sc1ccncc1 62a_100000728582_100000211941 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.509 CC(C)(C)Sc1ccncn1 62a_100000211941_100000703185 [0,1,0,0,0,0|2,0,0]=3 1401 B11R1.509 CC(C)(C)Sc1ccncn1 62a_100000703185_100000211941 [0,1,0,0,0,0|2,0,0]=3 1402 B11R1.509 CC(C)(C)Sc1cnccn1 62a_100000211759_100000211941 [0,1,0,0,0,0|2,0,0]=3 1403 B11R1.509 CC(C)(C)Sc1cnccn1 62a_100000211941_100000211759 [0,1,0,0,0,0|2,0,0]=3 1404 B11R1.509 CC(C)(C)Sc1ncccn1 62a_100000211032_100000211941 [0,1,0,0,0,0|2,0,0]=3 1405 B11R1.509 CC(C)(C)Sc1ncccn1 62a_100000211941_100000211032 [0,1,0,0,0,0|2,0,0]=3 1406 B11R1.509 FC(F)(F)Sc1ccccn1 62a_100011216584_200103152311 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.509 FC(F)(F)Sc1ccccn1 62a_200000243211_100011216584 [0,1,0,0,0,0|3,0,0]=4 1408 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,0,1,0,0,0|2,0,1]=4 1409 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,0,1,0,0,0|1,0,2]=4 1410 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,0,1,0,0,0|1,0,2]=4 1411 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,0,1,0,0,0|1,0,0]=2 1412 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,0,1,0,0,0|2,0,0]=3 1413 B9R0.4 C=CC=CC(=O)CC(F)F 1458a_100016291481_100011934356 [0,0,1,0,0,0|3,0,0]=4 1414 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,0,1,0,0,0|2,0,0]=3 1415 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,0,1,0,0,0|1,0,2]=4 1416 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,0,1,0,0,0|1,0,2]=4 1417 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [0,0,1,0,0,0|1,0,2]=4 1418 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [0,0,1,0,0,0|1,0,2]=4 1419 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [0,0,1,0,0,0|1,0,2]=4 1420 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,0,1,0,0,0|1,0,2]=4 1421 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,0,1,0,0,0|1,0,2]=4 1422 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,0,1,0,0,0|1,0,2]=4 1423 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,0,1,0,0,0|2,0,1]=4 1424 B9R0.14 C=CCC(C=C)OC(C)C 34a_100000038011_100000210206 [0,0,1,0,0,0|2,0,1]=4 1425 B9R0.14 C=CCC(C=C)OC(C)C 7a_100000038011_100000210206 [0,0,1,0,0,0|2,0,1]=4 1426 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [0,0,0,1,0,0|2,0,0]=3 1427 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [0,0,0,1,0,0|2,0,0]=3 1428 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [0,0,0,1,0,0|2,0,0]=3 1429 B11R2.10 CN1Cc2cccnc2C1 269982a_100000726175_200000210301 [0,0,0,1,0,0|1,0,0]=2 1430 B11R2.10 CN1Cc2ccncc2C1 2230a_100000730608_200000210301 [0,0,0,1,0,0|3,0,0]=4 1431 B11R2.10 CN1Cc2ccncc2C1 269982a_100000730608_200000210301 [0,0,0,1,0,0|3,0,0]=4 1432 B11R2.10 CN1Cc2cncnc2C1 269982a_100015200256_200000210301 [0,0,0,1,0,0|2,0,0]=3 1433 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [0,0,0,1,0,0|2,0,0]=3 1434 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [0,0,0,1,0,0|2,0,0]=3 1435 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [0,0,0,1,0,0|2,0,0]=3 1436 B11R2.10 [13CH3]N1Cc2cccnc2C1 269982a_100000726175_200025704644 [0,0,0,1,0,0|1,0,0]=2 1437 B11R2.10 [13CH3]N1Cc2ccncc2C1 2230a_100000730608_200025704644 [0,0,0,1,0,0|3,0,0]=4 1438 B11R2.10 [13CH3]N1Cc2ccncc2C1 269982a_100000730608_200025704644 [0,0,0,1,0,0|3,0,0]=4 1439 B11R2.10 [13CH3]N1Cc2cncnc2C1 269982a_100015200256_200025704644 [0,0,0,1,0,0|2,0,0]=3 1440 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [0,0,0,1,0,0|3,0,0]=4 1441 B11R2.238 c1cc(ccn1)SC2CC2 62a_100000728582_100000211595 [0,0,0,1,0,0|3,0,0]=4 1442 B11R2.238 c1cc(ncn1)NC2CC2 27a_100000212008_100000703185 [0,0,0,1,0,0|2,0,0]=3 1443 B11R2.238 c1cc(ncn1)SC2CC2 62a_100000703185_100000211595 [0,0,0,1,0,0|2,0,0]=3 1444 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|2,0,0]=3 1445 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|2,0,0]=3 1446 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|2,0,0]=3 1447 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [0,0,0,1,0,0|1,0,0]=2 1448 B11R2.238 c1cnc(cn1)NC2CC2 27a_100000212008_100000211759 [0,0,0,1,0,0|2,0,0]=3 1449 B11R2.238 c1cnc(cn1)SC2CC2 62a_100000211759_100000211595 [0,0,0,1,0,0|2,0,0]=3 1450 B11R2.238 c1cnc(nc1)NC2CC2 27a_100000212008_100000211032 [0,0,0,1,0,0|2,0,0]=3 1451 B11R2.238 c1cnc(nc1)SC2CC2 62a_100000211032_100000211595 [0,0,0,1,0,0|2,0,0]=3 1452 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,0,1,0,0|3,0,0]=4 1453 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [0,0,0,1,0,0|3,0,0]=4 1454 B11R2.238 c1cnnc(c1)NC2CC2 27a_100000212008_100016991348 [0,0,0,1,0,0|2,0,0]=3 1455 B11R2.238 c1cnnc(c1)SC2CC2 62a_100016991348_100000211595 [0,0,0,1,0,0|2,0,0]=3 1456 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,1,0|1,0,2]=4 1457 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,1,0|0,0,2]=3 1458 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,1,0|1,0,2]=4 1459 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,1,0|1,0,2]=4 1460 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,1,0|1,0,2]=4 1461 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,1,0|1,0,2]=4 1462 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,1,0|2,0,1]=4 1463 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,1,0|2,0,0]=3 1464 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,1,0|2,0,0]=3 1465 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,1,0|2,0,0]=3 1466 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [0,0,0,0,1,0|2,0,0]=3 1467 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [0,0,0,0,1,0|2,0,0]=3 1468 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,0,0,0,1,0|2,0,0]=3 1469 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [0,0,0,0,1,0|2,0,0]=3 1470 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,1,0|2,0,0]=3 1471 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,1,0|2,0,0]=3 1472 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,1,0|2,0,0]=3 1473 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,1,0|2,0,1]=4 1474 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,1,0|1,0,2]=4 1475 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [0,0,0,0,1,0|1,0,2]=4 1476 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,1,0|1,0,2]=4 1477 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,1,0|1,0,2]=4 1478 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [0,0,0,0,1,0|1,0,2]=4 1479 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [0,0,0,0,1,0|1,0,2]=4 1480 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [0,0,0,0,1,0|1,0,2]=4 1481 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,0,0,1,0|1,0,2]=4 1482 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,0,0,1,0|1,0,2]=4 1483 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,1,0|1,0,2]=4 1484 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,0,0,1,0|1,0,2]=4 1485 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|2,0,1]=4 1486 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|2,0,1]=4 1487 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|1,0,2]=4 1488 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|2,0,1]=4 1489 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|2,0,1]=4 1490 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|2,0,1]=4 1491 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|2,0,1]=4 1492 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|2,0,1]=4 1493 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|2,0,1]=4 1494 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|2,0,1]=4 1495 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|2,0,1]=4 1496 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|2,0,1]=4 1497 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|2,0,1]=4 1498 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,1,0|2,0,1]=4 1499 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|2,0,1]=4 1500 B9R1.13 CC(C)CN1CC=CC1 269982a_100015195280_100000210624 [0,0,0,0,1,0|1,0,2]=4 1501 B9R1.13 CC(C)Nc1ncns1 27a_100138425928_100000693119 [0,0,0,0,1,0|3,0,0]=4 1502 B9R1.13 CC(C)Nc1nncs1 27a_100138425928_100000739804 [0,0,0,0,1,0|3,0,0]=4 1503 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [0,0,0,0,1,0|2,0,0]=3 1504 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [0,0,0,0,1,0|2,0,0]=3 1505 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000210206_100000756875 [0,0,0,0,1,0|2,0,0]=3 1506 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000756875_100000210206 [0,0,0,0,1,0|2,0,0]=3 1507 B9R1.13 CC(C)Sc1c[nH]nn1 62a_100000210206_100009819707 [0,0,0,0,1,0|3,0,0]=4 1508 B9R1.13 CC(C)Sc1c[nH]nn1 62a_100009819707_100000210206 [0,0,0,0,1,0|3,0,0]=4 1509 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000062575_100000210206 [0,0,0,0,1,0|2,0,0]=3 1510 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000210206_100000062575 [0,0,0,0,1,0|2,0,0]=3 1511 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,1,0|2,0,0]=3 1512 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,1,0|2,0,0]=3 1513 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,0,0,0,1,0|2,0,0]=3 1514 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,0,0,0,1,0|2,0,0]=3 1515 B9R1.13 CC(C)Sc1ccoc1 62a_100000210206_100011215275 [0,0,0,0,1,0|2,0,0]=3 1516 B9R1.13 CC(C)Sc1ccoc1 62a_100011215275_100000210206 [0,0,0,0,1,0|2,0,0]=3 1517 B9R1.13 CC(C)Sc1ccon1 62a_100000210206_100009818083 [0,0,0,0,1,0|2,0,0]=3 1518 B9R1.13 CC(C)Sc1ccon1 62a_100009818083_100000210206 [0,0,0,0,1,0|2,0,0]=3 1519 B9R1.13 CC(C)Sc1ccsc1 62a_100000210206_100000738268 [0,0,0,0,1,0|2,0,0]=3 1520 B9R1.13 CC(C)Sc1ccsc1 62a_100000738268_100000210206 [0,0,0,0,1,0|2,0,0]=3 1521 B9R1.13 CC(C)Sc1ccsn1 62a_100000210206_100009818082 [0,0,0,0,1,0|2,0,0]=3 1522 B9R1.13 CC(C)Sc1ccsn1 62a_100009818082_100000210206 [0,0,0,0,1,0|2,0,0]=3 1523 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000210206_100000238712 [0,0,0,0,1,0|3,0,0]=4 1524 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000238712_100000210206 [0,0,0,0,1,0|3,0,0]=4 1525 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [0,0,0,0,1,0|3,0,0]=4 1526 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [0,0,0,0,1,0|3,0,0]=4 1527 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [0,0,0,0,1,0|3,0,0]=4 1528 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [0,0,0,0,1,0|3,0,0]=4 1529 B9R1.13 CC(C)Sc1cnoc1 62a_100000210206_100009815712 [0,0,0,0,1,0|3,0,0]=4 1530 B9R1.13 CC(C)Sc1cnoc1 62a_100009815712_100000210206 [0,0,0,0,1,0|3,0,0]=4 1531 B9R1.13 CC(C)Sc1cnsc1 62a_100000210206_100009815736 [0,0,0,0,1,0|3,0,0]=4 1532 B9R1.13 CC(C)Sc1cnsc1 62a_100009815736_100000210206 [0,0,0,0,1,0|3,0,0]=4 1533 B9R1.13 CC(C)Sc1cscn1 62a_100000210206_100000751502 [0,0,0,0,1,0|2,0,0]=3 1534 B9R1.13 CC(C)Sc1cscn1 62a_100000751502_100000210206 [0,0,0,0,1,0|2,0,0]=3 1535 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000210206_100000761765 [0,0,0,0,1,0|3,0,0]=4 1536 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000761765_100000210206 [0,0,0,0,1,0|3,0,0]=4 1537 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [0,0,0,0,1,0|2,0,0]=3 1538 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [0,0,0,0,1,0|2,0,0]=3 1539 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [0,0,0,0,1,0|2,0,0]=3 1540 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [0,0,0,0,1,0|2,0,0]=3 1541 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [0,0,0,0,1,0|2,0,0]=3 1542 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [0,0,0,0,1,0|2,0,0]=3 1543 B9R1.13 CC(C)Sc1ncns1 62a_100000210206_100000693119 [0,0,0,0,1,0|3,0,0]=4 1544 B9R1.13 CC(C)Sc1ncns1 62a_100000693119_100000210206 [0,0,0,0,1,0|3,0,0]=4 1545 B9R1.13 CC(C)Sc1nncs1 62a_100000210206_100000739804 [0,0,0,0,1,0|3,0,0]=4 1546 B9R1.13 CC(C)Sc1nncs1 62a_100000739804_100000210206 [0,0,0,0,1,0|3,0,0]=4 1547 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [0,0,0,0,1,0|2,0,0]=3 1548 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [0,0,0,0,1,0|2,0,0]=3 1549 B9R1.13 CN(C)Cc1cc[nH]n1 270004a_100102631434_100000738523 [0,0,0,0,1,0|2,0,0]=3 1550 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,1,0|2,0,0]=3 1551 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,1,0|2,0,0]=3 1552 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,1,0|2,0,0]=3 1553 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,0,0,0,1,0|2,0,0]=3 1554 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,0,0,0,1,0|2,0,0]=3 1555 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,0,0,0,1,0|2,0,0]=3 1556 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [0,0,0,0,1,0|2,0,1]=4 1557 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [0,0,0,0,1,0|2,0,1]=4 1558 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [0,0,0,0,1,0|2,0,0]=3 1559 B9R1.13 CN(C)Cc1ccon1 2230a_100000757864_200000210301 [0,0,0,0,1,0|2,0,0]=3 1560 B9R1.13 CN(C)Cc1ccon1 2230a_100102631434_100000234950 [0,0,0,0,1,0|2,0,0]=3 1561 B9R1.13 CN(C)Cc1ccon1 269982a_100000757864_200000210301 [0,0,0,0,1,0|2,0,0]=3 1562 B9R1.13 CN(C)Cc1ccon1 269982a_100102631434_100000234950 [0,0,0,0,1,0|2,0,0]=3 1563 B9R1.13 CN(C)Cc1ccsc1 2230a_100020654213_200000210301 [0,0,0,0,1,0|2,0,0]=3 1564 B9R1.13 CN(C)Cc1ccsc1 2230a_100102631434_100011261437 [0,0,0,0,1,0|2,0,0]=3 1565 B9R1.13 CN(C)Cc1ccsc1 269982a_100020654213_200000210301 [0,0,0,0,1,0|2,0,0]=3 1566 B9R1.13 CN(C)Cc1ccsc1 269982a_100102631434_100011233845 [0,0,0,0,1,0|2,0,0]=3 1567 B9R1.13 CN(C)Cc1ccsc1 270004a_100102631434_100000188534 [0,0,0,0,1,0|2,0,0]=3 1568 B9R1.13 CN(C)Cc1cn[nH]c1 270004a_100102631434_100016992096 [0,0,0,0,1,0|3,0,0]=4 1569 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,0,0,0,1,0|3,0,0]=4 1570 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [0,0,0,0,1,0|3,0,0]=4 1571 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [0,0,0,0,1,0|3,0,0]=4 1572 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [0,0,0,0,1,0|3,0,0]=4 1573 B9R1.13 CN(C)Cc1cocn1 270004a_100102631434_100000050382 [0,0,0,0,1,0|2,0,0]=3 1574 B9R1.13 CN(C)Cc1cscn1 2230a_100000225794_200000210301 [0,0,0,0,1,0|2,0,0]=3 1575 B9R1.13 CN(C)Cc1cscn1 2230a_100102631434_100000205941 [0,0,0,0,1,0|2,0,0]=3 1576 B9R1.13 CN(C)Cc1cscn1 269982a_100000225794_200000210301 [0,0,0,0,1,0|2,0,0]=3 1577 B9R1.13 CN(C)Cc1cscn1 269982a_100102631434_100000205941 [0,0,0,0,1,0|2,0,0]=3 1578 B9R1.13 CN(C)Cc1cscn1 270004a_100102631434_100000743575 [0,0,0,0,1,0|2,0,0]=3 1579 B9R1.13 CN(C)Cc1csnn1 270004a_100102631434_100000738508 [0,0,0,0,1,0|3,0,0]=4 1580 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [0,0,0,0,1,0|2,0,0]=3 1581 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [0,0,0,0,1,0|2,0,0]=3 1582 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [0,0,0,0,1,0|2,0,0]=3 1583 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [0,0,0,0,1,0|2,0,0]=3 1584 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,0,0,0,1,0|2,0,0]=3 1585 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,0,0,0,1,0|2,0,0]=3 1586 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,0,0,0,1,0|2,0,0]=3 1587 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [0,0,0,0,1,0|2,0,0]=3 1588 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [0,0,0,0,1,0|2,0,0]=3 1589 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [0,0,0,0,1,0|2,0,0]=3 1590 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [0,0,0,0,1,0|2,0,0]=3 1591 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [0,0,0,0,1,0|2,0,0]=3 1592 B9R1.13 CN(C)Cc1ncon1 269982a_100000697192_200000210301 [0,0,0,0,1,0|3,0,0]=4 1593 B9R1.13 CN(C)Cc1ncon1 269982a_100102631434_100000233494 [0,0,0,0,1,0|3,0,0]=4 1594 B9R1.13 CN(C)Cn1cncn1 2230a_100102631434_200020645497 [0,0,0,0,1,0|3,0,0]=4 1595 B9R1.13 CN(C)Cn1cncn1 269982a_100102631434_200020645497 [0,0,0,0,1,0|3,0,0]=4 1596 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,1,0|2,0,0]=3 1597 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,1,0|2,0,0]=3 1598 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,0,0,0,1,0|2,0,0]=3 1599 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,0,0,0,1,0|2,0,0]=3 1600 B9R1.13 CN([13CH3])Cc1ccon1 2230a_100000757864_200025704644 [0,0,0,0,1,0|2,0,0]=3 1601 B9R1.13 CN([13CH3])Cc1ccon1 269982a_100000757864_200025704644 [0,0,0,0,1,0|2,0,0]=3 1602 B9R1.13 CN([13CH3])Cc1ccsc1 2230a_100020654213_200025704644 [0,0,0,0,1,0|2,0,0]=3 1603 B9R1.13 CN([13CH3])Cc1ccsc1 269982a_100020654213_200025704644 [0,0,0,0,1,0|2,0,0]=3 1604 B9R1.13 CN([13CH3])Cc1cscn1 2230a_100000225794_200025704644 [0,0,0,0,1,0|2,0,0]=3 1605 B9R1.13 CN([13CH3])Cc1cscn1 269982a_100000225794_200025704644 [0,0,0,0,1,0|2,0,0]=3 1606 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [0,0,0,0,1,0|2,0,0]=3 1607 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [0,0,0,0,1,0|2,0,0]=3 1608 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [0,0,0,0,1,0|2,0,0]=3 1609 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [0,0,0,0,1,0|2,0,0]=3 1610 B9R1.13 CN([13CH3])Cc1ncon1 269982a_100000697192_200025704644 [0,0,0,0,1,0|3,0,0]=4 1611 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|2,0,1]=4 1612 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|1,0,2]=4 1613 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|2,0,1]=4 1614 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|2,0,1]=4 1615 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|2,0,1]=4 1616 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|2,0,1]=4 1617 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|2,0,1]=4 1618 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,1,0|2,0,1]=4 1619 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|2,0,1]=4 1620 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,1|1,0,2]=4 1621 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,0,0,0,0,1|1,0,2]=4 1622 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,0,0,0,0,1|1,0,2]=4 1623 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,0,0,0,0,1|1,0,2]=4 1624 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,0,0,0,0,1|1,0,2]=4 1625 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,1|1,0,2]=4 1626 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,1|1,0,2]=4 1627 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,1|1,0,2]=4 1628 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,1|1,0,2]=4 1629 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,1|0,0,2]=3 1630 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,1|0,0,2]=3 1631 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,0,0,0,0,1|1,0,2]=4 1632 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,0,0,0,0,1|1,0,2]=4 1633 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,0,0,0,0,1|1,0,2]=4 1634 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,0,0,0,0,1|1,0,2]=4 1635 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,0,0,0,0,1|1,0,2]=4 1636 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,0,0,0,0,1|1,0,2]=4 1637 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,0,0,0,0,1|1,0,2]=4 1638 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,0,0,0,0,1|1,0,2]=4 1639 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,0,0,0,0,1|1,0,2]=4 1640 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,0,0,0,0,1|1,0,2]=4 1641 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,1|1,0,2]=4 1642 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|1,0,2]=4 1643 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|2,0,1]=4 1644 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|2,0,1]=4 1645 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|1,0,1]=3 1646 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|1,0,1]=3 1647 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,1|2,0,1]=4 1648 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|1,0,1]=3 1649 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,1|2,0,1]=4 1650 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|1,0,1]=3 1651 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,1|2,0,1]=4 1652 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,1|2,0,1]=4 1653 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,1|2,0,1]=4 1654 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,1|2,0,1]=4 1655 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|1,0,1]=3 1656 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|1,0,1]=3 1657 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|1,0,1]=3 1658 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|1,0,1]=3 1659 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|2,0,1]=4 1660 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|2,0,1]=4 1661 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|2,0,1]=4 1662 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|2,0,1]=4 1663 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|2,0,1]=4 1664 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|2,0,1]=4 1665 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|2,0,1]=4 1666 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|2,0,1]=4 1667 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|2,0,1]=4 1668 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|2,0,1]=4 1669 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|2,0,1]=4 1670 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|2,0,1]=4 1671 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,1|2,0,1]=4 1672 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,0,0,0,0,1|1,0,1]=3 1673 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,0,0,0,0,1|0,0,1]=2 1674 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [0,0,0,0,0,1|2,0,1]=4 1675 B11R1.91 CC(C)C=Cc1cccnn1 271570a_100016257149_100016991348 [0,0,0,0,0,1|1,0,1]=3 1676 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [0,0,0,0,0,1|2,0,1]=4 1677 B11R1.91 CC(C)C=Cc1ccncn1 271570a_100016257149_100000703185 [0,0,0,0,0,1|1,0,1]=3 1678 B11R1.91 CC(C)C=Cc1cnccn1 271570a_100016257149_100000758340 [0,0,0,0,0,1|1,0,1]=3 1679 B11R1.91 CC(C)C=Cc1ncccn1 271570a_100016257149_100000211032 [0,0,0,0,0,1|1,0,1]=3 1680 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,0,0,0,0,1|1,0,0]=2 1681 B11R1.91 CC(C)CNc1cccnn1 27a_100000210953_100016991348 [0,0,0,0,0,1|1,0,0]=2 1682 B11R1.91 CC(C)CNc1ccncn1 27a_100000210953_100000703185 [0,0,0,0,0,1|1,0,0]=2 1683 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [0,0,0,0,0,1|1,0,0]=2 1684 B11R1.91 CC(C)CNc1ncccn1 27a_100000210953_100000211032 [0,0,0,0,0,1|1,0,0]=2 1685 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,0,1|1,0,0]=2 1686 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,0,1|1,0,0]=2 1687 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,0,0,0,0,1|2,0,0]=3 1688 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,0,0,0,0,1|2,0,0]=3 1689 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,0,0,0,0,1|2,0,0]=3 1690 B11R1.91 CC(C)COc1ccnnc1 34a_100015204005_100000210624 [0,0,0,0,0,1|3,0,0]=4 1691 B11R1.91 CC(C)COc1cncnc1 7a_100000754086_100000210760 [0,0,0,0,0,1|3,0,0]=4 1692 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,0,0,0,0,1|1,0,0]=2 1693 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,0,0,0,0,1|1,0,0]=2 1694 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,0,0,0,0,1|0,0,0]=1 1695 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,0,0,0,0,1|0,0,0]=1 1696 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [0,0,0,0,0,1|2,0,0]=3 1697 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [0,0,0,0,0,1|2,0,0]=3 1698 B11R1.91 CC(C)CSc1cccnn1 62a_100000210624_100016991348 [0,0,0,0,0,1|1,0,0]=2 1699 B11R1.91 CC(C)CSc1cccnn1 62a_100016991348_100000210760 [0,0,0,0,0,1|1,0,0]=2 1700 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [0,0,0,0,0,1|2,0,0]=3 1701 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [0,0,0,0,0,1|2,0,0]=3 1702 B11R1.91 CC(C)CSc1ccncn1 62a_100000210624_100000703185 [0,0,0,0,0,1|1,0,0]=2 1703 B11R1.91 CC(C)CSc1ccncn1 62a_100000703185_100000210760 [0,0,0,0,0,1|1,0,0]=2 1704 B11R1.91 CC(C)CSc1ccnnc1 62a_100000210624_100000732662 [0,0,0,0,0,1|3,0,0]=4 1705 B11R1.91 CC(C)CSc1ccnnc1 62a_100000732662_100000210760 [0,0,0,0,0,1|3,0,0]=4 1706 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [0,0,0,0,0,1|1,0,0]=2 1707 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [0,0,0,0,0,1|1,0,0]=2 1708 B11R1.91 CC(C)CSc1cncnc1 62a_100000210624_100011206942 [0,0,0,0,0,1|3,0,0]=4 1709 B11R1.91 CC(C)CSc1cncnc1 62a_100011206942_100000210760 [0,0,0,0,0,1|3,0,0]=4 1710 B11R1.91 CC(C)CSc1ncccn1 62a_100000210624_100000211032 [0,0,0,0,0,1|1,0,0]=2 1711 B11R1.91 CC(C)CSc1ncccn1 62a_100000211032_100000210760 [0,0,0,0,0,1|1,0,0]=2 1712 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,0,0,0,0,1|1,0,0]=2 1713 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,0,0,0,0,1|1,0,0]=2 1714 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,0,0,0,0,1|1,0,0]=2 1715 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,0,0,0,0,1|1,0,0]=2 1716 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,0,0,0,0,1|1,0,0]=2 1717 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,0,0,0,0,1|0,0,0]=1 1718 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,0,0,0,0,1|0,0,0]=1 1719 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,0,0,0,0,1|0,0,0]=1 1720 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,0,0,0,0,1|2,0,0]=3 1721 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,0,0,0,0,1|2,0,0]=3 1722 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,0,0,0,0,1|2,0,0]=3 1723 B11R1.91 CC(C)NCc1cccnn1 2230a_100138425928_100016990269 [0,0,0,0,0,1|1,0,0]=2 1724 B11R1.91 CC(C)NCc1cccnn1 2230a_100159270163_100000210206 [0,0,0,0,0,1|1,0,0]=2 1725 B11R1.91 CC(C)NCc1cccnn1 34a_100138425928_100016990269 [0,0,0,0,0,1|1,0,0]=2 1726 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [0,0,0,0,0,1|2,0,0]=3 1727 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [0,0,0,0,0,1|2,0,0]=3 1728 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,0,0,0,0,1|1,0,0]=2 1729 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,0,0,0,0,1|1,0,0]=2 1730 B11R1.91 CC(C)NCc1cncnc1 2230a_100011243677_100000210206 [0,0,0,0,0,1|3,0,0]=4 1731 B11R1.91 CC(C)NCc1cncnc1 2230a_100138425928_100015196519 [0,0,0,0,0,1|3,0,0]=4 1732 B11R1.91 CC(C)NCc1cncnc1 34a_100138425928_100015196519 [0,0,0,0,0,1|3,0,0]=4 1733 B11R1.91 CC(C)NCc1ncccn1 2230a_100138425928_100000703007 [0,0,0,0,0,1|1,0,0]=2 1734 B11R1.91 CC(C)NCc1ncccn1 34a_100138425928_100000703007 [0,0,0,0,0,1|1,0,0]=2 1735 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,1|1,0,0]=2 1736 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,1|1,0,0]=2 1737 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,1|1,0,0]=2 1738 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,0,0,0,0,1|0,0,0]=1 1739 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,0,0,0,0,1|2,0,0]=3 1740 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [0,0,0,0,0,1|1,0,0]=2 1741 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,0,0,0,0,1|1,0,0]=2 1742 B11R1.91 CC(C)OCc1cncnc1 34a_100000212225_100015196519 [0,0,0,0,0,1|3,0,0]=4 1743 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [0,0,0,0,0,1|1,0,0]=2 1744 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,0,0,0,0,1|1,0,0]=2 1745 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,0,0,0,0,1|1,0,0]=2 1746 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,0,0,0,0,1|0,0,0]=1 1747 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,0,0,0,0,1|0,0,0]=1 1748 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [0,0,0,0,0,1|2,0,0]=3 1749 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [0,0,0,0,0,1|2,0,0]=3 1750 B11R1.91 CC(C)SCc1cccnn1 62a_100000210206_100016990269 [0,0,0,0,0,1|1,0,0]=2 1751 B11R1.91 CC(C)SCc1cccnn1 62a_100016990269_100000210206 [0,0,0,0,0,1|1,0,0]=2 1752 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [0,0,0,0,0,1|2,0,0]=3 1753 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [0,0,0,0,0,1|2,0,0]=3 1754 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,0,0,0,0,1|1,0,0]=2 1755 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,0,0,0,0,1|1,0,0]=2 1756 B11R1.91 CC(C)SCc1cncnc1 62a_100000210206_100015196519 [0,0,0,0,0,1|3,0,0]=4 1757 B11R1.91 CC(C)SCc1cncnc1 62a_100015196519_100000210206 [0,0,0,0,0,1|3,0,0]=4 1758 B11R1.91 CC(C)SCc1ncccn1 62a_100000210206_100000703007 [0,0,0,0,0,1|1,0,0]=2 1759 B11R1.91 CC(C)SCc1ncccn1 62a_100000703007_100000210206 [0,0,0,0,0,1|1,0,0]=2 1760 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,1|2,0,1]=4 1761 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,0,0,0,0,1|1,0,1]=3 1762 B11R1.91 CC(O)C=Cc1cccnn1 271570a_200011019289_100016991348 [0,0,0,0,0,1|2,0,1]=4 1763 B11R1.91 CC(O)C=Cc1ccncn1 271570a_200011019289_100000703185 [0,0,0,0,0,1|2,0,1]=4 1764 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,0,0,0,0,1|2,0,1]=4 1765 B11R1.91 CC(O)C=Cc1ncccn1 271570a_200011019289_100000211032 [0,0,0,0,0,1|2,0,1]=4 1766 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,1|2,0,0]=3 1767 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [0,0,0,0,0,1|2,0,0]=3 1768 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [0,0,0,0,0,1|2,0,0]=3 1769 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,0,0,0,0,1|2,0,0]=3 1770 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [0,0,0,0,0,1|2,0,0]=3 1771 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,1|2,0,0]=3 1772 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,1|2,0,0]=3 1773 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,0,0,0,0,1|3,0,0]=4 1774 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,0,0,0,0,1|3,0,0]=4 1775 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,0,0,0,0,1|3,0,0]=4 1776 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,1|2,0,0]=3 1777 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,1|2,0,0]=3 1778 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,0,0,0,0,1|1,0,0]=2 1779 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,0,0,0,0,1|1,0,0]=2 1780 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,0,0,0,0,1|3,0,0]=4 1781 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,0,0,0,0,1|3,0,0]=4 1782 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [0,0,0,0,0,1|2,0,0]=3 1783 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [0,0,0,0,0,1|2,0,0]=3 1784 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [0,0,0,0,0,1|3,0,0]=4 1785 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [0,0,0,0,0,1|3,0,0]=4 1786 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [0,0,0,0,0,1|2,0,0]=3 1787 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [0,0,0,0,0,1|2,0,0]=3 1788 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,0,0,0,0,1|2,0,0]=3 1789 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,0,0,0,0,1|2,0,0]=3 1790 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [0,0,0,0,0,1|2,0,0]=3 1791 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [0,0,0,0,0,1|2,0,0]=3 1792 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,1|2,0,0]=3 1793 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,1|2,0,0]=3 1794 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,1|2,0,0]=3 1795 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,1|2,0,0]=3 1796 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,0,0,0,0,1|1,0,0]=2 1797 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,0,0,0,0,1|1,0,0]=2 1798 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,0,0,0,0,1|1,0,0]=2 1799 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,0,0,0,0,1|1,0,0]=2 1800 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1801 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,0,0,0,0,1|3,0,0]=4 1802 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1803 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,0,0,0,0,1|3,0,0]=4 1804 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,0,0,0,0,1|3,0,0]=4 1805 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,0,0,0,0,1|3,0,0]=4 1806 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,0,0,0,0,1|3,0,0]=4 1807 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,0,0,0,0,1|3,0,0]=4 1808 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,0,0,0,0,1|2,0,0]=3 1809 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,0,0,0,0,1|2,0,0]=3 1810 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,1|2,0,0]=3 1811 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,1|2,0,0]=3 1812 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,0,0,0,0,1|1,0,0]=2 1813 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,0,0,0,0,1|1,0,0]=2 1814 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1815 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1816 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,0,0,0,0,1|3,0,0]=4 1817 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,0,0,0,0,1|3,0,0]=4 1818 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,1|2,0,0]=3 1819 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,1|2,0,0]=3 1820 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,1|2,0,0]=3 1821 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,0,0,0,0,1|3,0,0]=4 1822 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,0,0,0,0,1|3,0,0]=4 1823 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,0,0,0,0,1|3,0,0]=4 1824 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,1|2,0,0]=3 1825 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,1|2,0,0]=3 1826 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,0,0,0,0,1|1,0,0]=2 1827 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,0,0,0,0,1|1,0,0]=2 1828 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,0,0,0,0,1|3,0,0]=4 1829 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,0,0,0,0,1|3,0,0]=4 1830 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [0,0,0,0,0,1|2,0,0]=3 1831 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [0,0,0,0,0,1|2,0,0]=3 1832 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [0,0,0,0,0,1|3,0,0]=4 1833 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [0,0,0,0,0,1|3,0,0]=4 1834 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [0,0,0,0,0,1|2,0,0]=3 1835 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [0,0,0,0,0,1|2,0,0]=3 1836 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,0,0,0,0,1|2,0,0]=3 1837 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,0,0,0,0,1|2,0,0]=3 1838 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [0,0,0,0,0,1|2,0,0]=3 1839 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [0,0,0,0,0,1|2,0,0]=3 1840 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,0,0,0,0,1|3,0,0]=4 1841 B11R1.91 FC(F)CNc1cccnn1 27a_100000765723_100016991348 [0,0,0,0,0,1|3,0,0]=4 1842 B11R1.91 FC(F)CNc1ccncn1 27a_100000765723_100000703185 [0,0,0,0,0,1|3,0,0]=4 1843 B11R1.91 FC(F)CNc1cnccn1 27a_100000765723_100000211759 [0,0,0,0,0,1|3,0,0]=4 1844 B11R1.91 FC(F)CNc1ncccn1 27a_100000765723_100000211032 [0,0,0,0,0,1|3,0,0]=4 1845 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,0,0,0,0,1|3,0,0]=4 1846 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,0,0,0,0,1|3,0,0]=4 1847 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,0,0,0,0,1|3,0,0]=4 1848 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,0,0,0,0,1|3,0,0]=4 1849 B11R1.91 FC(F)CSc1ccccn1 62a_100011216584_100011934356 [0,0,0,0,0,1|2,0,0]=3 1850 B11R1.91 FC(F)CSc1ccccn1 62a_100011934356_100011216584 [0,0,0,0,0,1|2,0,0]=3 1851 B11R1.91 FC(F)CSc1cccnn1 62a_100011934356_100016991348 [0,0,0,0,0,1|3,0,0]=4 1852 B11R1.91 FC(F)CSc1cccnn1 62a_100016991348_100011934356 [0,0,0,0,0,1|3,0,0]=4 1853 B11R1.91 FC(F)CSc1ccncn1 62a_100000703185_100011934356 [0,0,0,0,0,1|3,0,0]=4 1854 B11R1.91 FC(F)CSc1ccncn1 62a_100011934356_100000703185 [0,0,0,0,0,1|3,0,0]=4 1855 B11R1.91 FC(F)CSc1cnccn1 62a_100000211759_100011934356 [0,0,0,0,0,1|3,0,0]=4 1856 B11R1.91 FC(F)CSc1cnccn1 62a_100011934356_100000211759 [0,0,0,0,0,1|3,0,0]=4 1857 B11R1.91 FC(F)CSc1ncccn1 62a_100000211032_100011934356 [0,0,0,0,0,1|3,0,0]=4 1858 B11R1.91 FC(F)CSc1ncccn1 62a_100011934356_100000211032 [0,0,0,0,0,1|3,0,0]=4 1859 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,1|2,0,1]=4 1860 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,1|2,0,1]=4 1861 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,1|2,0,1]=4 1862 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,1|2,0,1]=4 1863 B11R1.91 O=[N+]([O-])CSc1ccccn1 62a_100011216584_100000761209 [0,0,0,0,0,1|3,0,0]=4 1864 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,1|1,0,2]=4 1865 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|1,0,2]=4 1866 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|2,0,1]=4 1867 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|1,0,1]=3 1868 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,1|2,0,1]=4 1869 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|1,0,1]=3 1870 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,1|2,0,1]=4 1871 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|1,0,1]=3 1872 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|1,0,0]=3 1873 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,0,1,0,0,0|2,0,0]=4 1874 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|2,0,0]=4 1875 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,0,1,0,0,0|1,0,1]=4 1876 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,0,1,0,0,0|1,0,1]=4 1877 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [1,0,1,0,0,0|2,0,0]=4 1878 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [1,0,1,0,0,0|2,0,0]=4 1879 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [1,0,1,0,0,0|2,0,0]=4 1880 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,0,1,0,0,0|1,0,1]=4 1881 B8R0.16 C=CC(C=C)OC(C)C 34a_100000033096_100000210206 [1,0,1,0,0,0|1,0,1]=4 1882 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|0,0,2]=4 1883 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|2,0,0]=4 1884 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [2,0,0,0,0,0|2,0,0]=4 1885 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [2,0,0,0,0,0|2,0,0]=4 1886 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [2,0,0,0,0,0|2,0,0]=4 1887 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [2,0,0,0,0,0|2,0,0]=4 1888 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 1889 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 1890 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 1891 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 1892 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,0,0]=3 1893 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,0,0]=3 1894 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [2,0,0,0,0,0|2,0,0]=4 1895 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [2,0,0,0,0,0|2,0,0]=4 1896 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [2,0,0,0,0,0|2,0,0]=4 1897 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [2,0,0,0,0,0|2,0,0]=4 1898 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [2,0,0,0,0,0|2,0,0]=4 1899 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [2,0,0,0,0,0|2,0,0]=4 1900 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [2,0,0,0,0,0|2,0,0]=4 1901 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [2,0,0,0,0,0|2,0,0]=4 1902 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|2,0,0]=4 1903 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 1904 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 1905 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 1906 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 1907 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,0,0]=3 1908 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,0,0]=3 1909 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [2,0,0,0,0,0|2,0,0]=4 1910 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [2,0,0,0,0,0|2,0,0]=4 1911 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [2,0,0,0,0,0|2,0,0]=4 1912 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [2,0,0,0,0,0|2,0,0]=4 1913 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [2,0,0,0,0,0|2,0,0]=4 1914 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [2,0,0,0,0,0|2,0,0]=4 1915 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [2,0,0,0,0,0|2,0,0]=4 1916 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [2,0,0,0,0,0|2,0,0]=4 1917 B10R0.4 C/C=C/C=C/COCC(C)C 34a_100016283227_100000210624 [0,1,1,0,0,0|1,0,1]=4 1918 B10R0.4 CC=CC=CC=NNC(C)C 4a_100000741168_100000691131 [0,1,1,0,0,0|2,0,0]=4 1919 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,1,1,0,0,0|1,0,0]=3 1920 B10R0.6 C/C=C/C=CC(=O)CC(C)O 1458a_100000185730_100011218427 [0,1,1,0,0,0|2,0,0]=4 1921 B10R0.6 C/C=C/C=CC(=O)NC(C)C 11a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 1922 B10R0.6 C/C=C/C=CC(=O)NC(C)C 1626a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 1923 B10R0.6 C/C=C/C=CC(=O)NC(C)C 240690a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 1924 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [0,1,1,0,0,0|1,0,1]=4 1925 B10R0.78 C=CC=CC(=O)NCC(C)C 1626a_100000210953_100016291481 [0,1,1,0,0,0|2,0,0]=4 1926 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,1,1,0,0,0|1,0,0]=3 1927 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [0,1,1,0,0,0|2,0,0]=4 1928 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,1,1,0,0,0|1,0,0]=3 1929 B10R0.18 C=CC=CC(=O)C[C@@H](C)CO 1458a_100016291481_100000059175 [0,1,1,0,0,0|1,0,0]=3 1930 B10R0.18 C=CC=CC(=O)NC(C)CC 1626a_100000209981_100016291481 [0,1,1,0,0,0|2,0,0]=4 1931 B10R0.18 C=CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100016291481 [0,1,1,0,0,0|2,0,0]=4 1932 B10R0.28 C=CC=CC(=O)C[Si](C)(C)C 1458a_100016291481_100000233785 [0,1,1,0,0,0|1,1,0]=4 1933 B10R0.28 C=CC=CC(=O)NC(C)(C)C 1626a_100000715429_100016291481 [0,1,1,0,0,0|2,0,0]=4 1934 B10R0.81 C=CC=CC(=O)N(C)C(C)C 1626a_200000211004_100016291481 [0,1,1,0,0,0|2,0,0]=4 1935 B10R0.79 C=CCN(CC=C)CC(C)C 2230a_100000210471_100000210760 [0,1,1,0,0,0|2,0,0]=4 1936 B10R0.79 C=CCN(CC=C)CC(C)C 269982a_100000210471_100000210624 [0,1,1,0,0,0|2,0,0]=4 1937 B10R0.79 C=CCN(CC=C)CC(C)C 270004a_100000210471_100000210432 [0,1,1,0,0,0|2,0,0]=4 1938 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|0,0,2]=4 1939 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|0,0,2]=4 1940 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|0,0,2]=4 1941 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|0,0,2]=4 1942 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|0,0,2]=4 1943 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|0,0,2]=4 1944 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,0]=3 1945 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 1946 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 1947 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|2,0,0]=4 1948 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 1949 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 1950 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|2,0,0]=4 1951 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 1952 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|2,0,0]=4 1953 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1954 B10R1.1 CCNc1ccc(cn1)Br 27a_100015525214_100000686858 [1,1,0,0,0,0|1,0,0]=3 1955 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [1,1,0,0,0,0|1,0,0]=3 1956 B10R1.1 CCNc1ccc(nn1)C 27a_100015525214_100000744512 [1,1,0,0,0,0|2,0,0]=4 1957 B10R1.1 CCNc1ccc(nn1)O 271570a_203496583355_100000215268 [1,1,0,0,0,0|2,0,0]=4 1958 B10R1.1 CCNc1cnc(cn1)Br 27a_100015525214_100010187541 [1,1,0,0,0,0|2,0,0]=4 1959 B10R1.1 CCNc1cnc(cn1)C 27a_100015525214_100000074397 [1,1,0,0,0,0|2,0,0]=4 1960 B10R1.1 CCNc1cnc(cn1)F 27a_100015525214_100009856528 [1,1,0,0,0,0|2,0,0]=4 1961 B10R1.1 CCNc1ncc(cn1)Br 27a_100015525214_100000690281 [1,1,0,0,0,0|2,0,0]=4 1962 B10R1.1 CCNc1ncc(cn1)C 27a_100015525214_100000061069 [1,1,0,0,0,0|2,0,0]=4 1963 B10R1.1 CCNc1ncc(cn1)Cl 27a_100015525214_100011356929 [1,1,0,0,0,0|2,0,0]=4 1964 B10R1.1 CCNc1ncc(cn1)F 27a_100015525214_100000685220 [1,1,0,0,0,0|2,0,0]=4 1965 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 1966 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 1967 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1968 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1969 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 1970 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 1971 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|2,0,0]=4 1972 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 1973 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 1974 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1975 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|2,0,0]=4 1976 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|1,0,0]=3 1977 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|1,0,0]=3 1978 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|1,0,0]=3 1979 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|1,0,0]=3 1980 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|1,0,0]=3 1981 B10R1.1 CCOc1ccc(nn1)O 271570a_203496583355_100000757289 [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.1 CCOc1cnc(cn1)Br 34a_100011934580_100000210202 [1,1,0,0,0,0|2,0,0]=4 1983 B10R1.1 CCOc1cnc(cn1)Cl 34a_100015839800_100000210202 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.1 CCOc1cnc(cn1)O 271570a_203496583355_200012356188 [1,1,0,0,0,0|2,0,0]=4 1985 B10R1.1 CCOc1ncc(cn1)F 34a_100011934040_100000210202 [1,1,0,0,0,0|2,0,0]=4 1986 B10R1.1 CCOc1ncc(cn1)O 271570a_203496583355_100011934766 [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100000210202_100009820020 [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210202 [1,1,0,0,0,0|2,0,0]=4 1989 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|2,0,0]=4 1990 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|2,0,0]=4 1991 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|2,0,0]=4 1992 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|2,0,0]=4 1993 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|2,0,0]=4 1994 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|2,0,0]=4 1995 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|2,0,0]=4 1996 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|2,0,0]=4 1997 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 1998 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|2,0,0]=4 1999 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|2,0,0]=4 2000 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|2,0,0]=4 2001 B10R1.1 CCSc1ccc(cn1)Br 62a_100000210202_100000686858 [1,1,0,0,0,0|1,0,0]=3 2002 B10R1.1 CCSc1ccc(cn1)Br 62a_100000686858_100000210202 [1,1,0,0,0,0|1,0,0]=3 2003 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [1,1,0,0,0,0|1,0,0]=3 2004 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [1,1,0,0,0,0|1,0,0]=3 2005 B10R1.1 CCSc1ccc(cn1)Cl 62a_100000210202_100011356976 [1,1,0,0,0,0|1,0,0]=3 2006 B10R1.1 CCSc1ccc(cn1)Cl 62a_100011356976_100000210202 [1,1,0,0,0,0|1,0,0]=3 2007 B10R1.1 CCSc1ccc(cn1)F 62a_100000210202_100000744514 [1,1,0,0,0,0|1,0,0]=3 2008 B10R1.1 CCSc1ccc(cn1)F 62a_100000744514_100000210202 [1,1,0,0,0,0|1,0,0]=3 2009 B10R1.1 CCSc1ccc(cn1)N 62a_100000210202_100000737798 [1,1,0,0,0,0|1,0,0]=3 2010 B10R1.1 CCSc1ccc(cn1)N 62a_100000737798_100000210202 [1,1,0,0,0,0|1,0,0]=3 2011 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [1,1,0,0,0,0|1,0,0]=3 2012 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [1,1,0,0,0,0|1,0,0]=3 2013 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [1,1,0,0,0,0|1,0,0]=3 2014 B10R1.1 CCSc1ccc(nn1)C 62a_100000210202_100000744512 [1,1,0,0,0,0|2,0,0]=4 2015 B10R1.1 CCSc1ccc(nn1)C 62a_100000744512_100000210202 [1,1,0,0,0,0|2,0,0]=4 2016 B10R1.1 CCSc1ccc(nn1)Cl 62a_100000068654_100000210202 [1,1,0,0,0,0|2,0,0]=4 2017 B10R1.1 CCSc1ccc(nn1)Cl 62a_100000210202_100000068654 [1,1,0,0,0,0|2,0,0]=4 2018 B10R1.1 CCSc1ccc(nn1)N 62a_100000210202_100010219413 [1,1,0,0,0,0|2,0,0]=4 2019 B10R1.1 CCSc1ccc(nn1)N 62a_100010219413_100000210202 [1,1,0,0,0,0|2,0,0]=4 2020 B10R1.1 CCSc1cnc(cn1)Br 62a_100000210202_100010187541 [1,1,0,0,0,0|2,0,0]=4 2021 B10R1.1 CCSc1cnc(cn1)Br 62a_100010187541_100000210202 [1,1,0,0,0,0|2,0,0]=4 2022 B10R1.1 CCSc1cnc(cn1)C 62a_100000210202_100011999403 [1,1,0,0,0,0|2,0,0]=4 2023 B10R1.1 CCSc1cnc(cn1)C 62a_100011999403_100000210202 [1,1,0,0,0,0|2,0,0]=4 2024 B10R1.1 CCSc1cnc(cn1)Cl 62a_100000210202_100010214907 [1,1,0,0,0,0|2,0,0]=4 2025 B10R1.1 CCSc1cnc(cn1)Cl 62a_100010214907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2026 B10R1.1 CCSc1cnc(cn1)F 62a_100000210202_100009856528 [1,1,0,0,0,0|2,0,0]=4 2027 B10R1.1 CCSc1cnc(cn1)F 62a_100009856528_100000210202 [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.1 CCSc1cnc(cn1)N 62a_100000210202_100000744751 [1,1,0,0,0,0|2,0,0]=4 2029 B10R1.1 CCSc1cnc(cn1)N 62a_100000744751_100000210202 [1,1,0,0,0,0|2,0,0]=4 2030 B10R1.1 CCSc1cnc(cn1)O 62a_100000210202_100015839800 [1,1,0,0,0,0|2,0,0]=4 2031 B10R1.1 CCSc1cnc(cn1)O 62a_100011934580_100000210202 [1,1,0,0,0,0|2,0,0]=4 2032 B10R1.1 CCSc1ncc(cn1)Br 62a_100000210202_100000690281 [1,1,0,0,0,0|2,0,0]=4 2033 B10R1.1 CCSc1ncc(cn1)Br 62a_100000690281_100000210202 [1,1,0,0,0,0|2,0,0]=4 2034 B10R1.1 CCSc1ncc(cn1)C 62a_100000061069_100000210202 [1,1,0,0,0,0|2,0,0]=4 2035 B10R1.1 CCSc1ncc(cn1)C 62a_100000210202_100000061069 [1,1,0,0,0,0|2,0,0]=4 2036 B10R1.1 CCSc1ncc(cn1)Cl 62a_100000210202_100011356929 [1,1,0,0,0,0|2,0,0]=4 2037 B10R1.1 CCSc1ncc(cn1)Cl 62a_100011356929_100000210202 [1,1,0,0,0,0|2,0,0]=4 2038 B10R1.1 CCSc1ncc(cn1)F 62a_100000210202_100000685220 [1,1,0,0,0,0|2,0,0]=4 2039 B10R1.1 CCSc1ncc(cn1)F 62a_100000685220_100000210202 [1,1,0,0,0,0|2,0,0]=4 2040 B10R1.1 CCSc1ncc(cn1)N 62a_100000068403_100000210202 [1,1,0,0,0,0|2,0,0]=4 2041 B10R1.1 CCSc1ncc(cn1)N 62a_100000210202_100000068403 [1,1,0,0,0,0|2,0,0]=4 2042 B10R1.1 CCSc1ncc(cn1)O 271570a_203496583355_200011939514 [1,1,0,0,0,0|2,0,0]=4 2043 B10R1.1 CCSc1ncc(cn1)O 62a_100000210202_100000092845 [1,1,0,0,0,0|2,0,0]=4 2044 B10R1.1 CCSc1ncc(cn1)O 62a_100000730009_100000210202 [1,1,0,0,0,0|2,0,0]=4 2045 B10R1.1 CNCc1ccc(=O)[nH]n1 207a_100102657272_100011361533 [1,1,0,0,0,0|2,0,0]=4 2046 B10R1.1 CNCc1ccc(=O)[nH]n1 270004a_106832991635_100011361533 [1,1,0,0,0,0|2,0,0]=4 2047 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|2,0,0]=4 2048 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 2049 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 2050 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|2,0,0]=4 2051 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|2,0,0]=4 2052 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 2053 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|2,0,0]=4 2054 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 2055 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|2,0,0]=4 2062 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 2063 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|2,0,0]=4 2064 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 2065 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|2,0,0]=4 2066 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|2,0,0]=4 2071 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 2072 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 2073 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|2,0,0]=4 2074 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|2,0,0]=4 2076 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 2077 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 2080 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|2,0,0]=4 2082 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 2083 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|2,0,0]=4 2084 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|2,0,0]=4 2085 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|1,0,0]=3 2086 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|1,0,0]=3 2087 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|1,0,0]=3 2088 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|1,0,0]=3 2089 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|1,0,0]=3 2090 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|1,0,0]=3 2091 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|1,0,0]=3 2092 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|1,0,0]=3 2095 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|1,0,0]=3 2096 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|1,0,0]=3 2097 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|1,0,0]=3 2098 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|1,0,0]=3 2099 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|1,0,0]=3 2100 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|1,0,0]=3 2101 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|1,0,0]=3 2102 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|1,0,0]=3 2103 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|1,0,0]=3 2104 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|1,0,0]=3 2105 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|1,0,0]=3 2106 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|1,0,0]=3 2107 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|1,0,0]=3 2108 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|1,0,0]=3 2109 B10R1.1 CNCc1ccc(nn1)Cl 2230a_106832991635_100016992710 [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.1 CNCc1ccc(nn1)Cl 270004a_106832991635_100000044651 [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.1 CNCc1ccc(nn1)Cl 34a_100102657272_100016992710 [1,1,0,0,0,0|2,0,0]=4 2112 B10R1.1 CNCc1ccc(nn1)Cl 7a_106832991635_100016992710 [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.1 CNCc1cnc(cn1)C 2230a_106832991635_100000752025 [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.1 CNCc1cnc(cn1)C 270004a_106832991635_100000685221 [1,1,0,0,0,0|2,0,0]=4 2115 B10R1.1 CNCc1cnc(cn1)C 34a_100132314150_200000210301 [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.1 CNCc1cnc(cn1)C 7a_106832991635_100000752025 [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.1 CNCc1cnc(cn1)Cl 270004a_106832991635_100012001714 [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.1 CNCc1ncc(cn1)Br 34a_100102657272_100010064664 [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.1 CNCc1ncc(cn1)Br 7a_106832991635_100010064664 [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.1 CNCc1ncc(cn1)C 2230a_106832991635_100000685645 [1,1,0,0,0,0|2,0,0]=4 2121 B10R1.1 CNCc1ncc(cn1)C 34a_100102657272_100000685645 [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.1 CNCc1ncc(cn1)C 7a_106832991635_100000685645 [1,1,0,0,0,0|2,0,0]=4 2123 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 2125 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 2126 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 2127 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 2128 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 2133 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2134 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 2135 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 2136 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 2137 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 2138 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 2139 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [1,1,0,0,0,0|1,0,0]=3 2140 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [1,1,0,0,0,0|1,0,0]=3 2141 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,1,0,0,0,0|1,0,0]=3 2142 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,1,0,0,0,0|1,0,0]=3 2143 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,1,0,0,0,0|1,0,0]=3 2144 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,1,0,0,0,0|1,0,0]=3 2145 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [1,1,0,0,0,0|1,0,0]=3 2146 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [1,1,0,0,0,0|1,0,0]=3 2147 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2148 B10R1.1 COCc1ccc(nn1)Cl 34a_100138415774_100016992710 [1,1,0,0,0,0|2,0,0]=4 2149 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [1,1,0,0,0,0|2,0,0]=4 2150 B10R1.1 COCc1cnc(cn1)Cl 34a_100012002382_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.1 COCc1ncc(cn1)Br 34a_100138415774_100010064664 [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.1 COCc1ncc(cn1)C 34a_100138415774_100000685645 [1,1,0,0,0,0|2,0,0]=4 2153 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 2155 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 2157 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2158 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 2159 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 2160 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 2162 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 2163 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [1,1,0,0,0,0|1,0,0]=3 2164 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [1,1,0,0,0,0|1,0,0]=3 2165 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,1,0,0,0,0|1,0,0]=3 2166 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,1,0,0,0,0|1,0,0]=3 2167 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [1,1,0,0,0,0|1,0,0]=3 2168 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [1,1,0,0,0,0|1,0,0]=3 2169 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [1,1,0,0,0,0|1,0,0]=3 2170 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [1,1,0,0,0,0|1,0,0]=3 2171 B10R1.1 CSCc1ccc(nn1)Cl 62a_100016992710_200000210301 [1,1,0,0,0,0|2,0,0]=4 2172 B10R1.1 CSCc1ccc(nn1)Cl 62a_200000210301_100016992710 [1,1,0,0,0,0|2,0,0]=4 2173 B10R1.1 CSCc1cnc(cn1)C 62a_100000752025_200000210301 [1,1,0,0,0,0|2,0,0]=4 2174 B10R1.1 CSCc1cnc(cn1)C 62a_200000210301_100000752025 [1,1,0,0,0,0|2,0,0]=4 2175 B10R1.1 CSCc1ncc(cn1)Br 62a_100010064664_200000210301 [1,1,0,0,0,0|2,0,0]=4 2176 B10R1.1 CSCc1ncc(cn1)Br 62a_200000210301_100010064664 [1,1,0,0,0,0|2,0,0]=4 2177 B10R1.1 CSCc1ncc(cn1)C 62a_100000685645_200000210301 [1,1,0,0,0,0|2,0,0]=4 2178 B10R1.1 CSCc1ncc(cn1)C 62a_200000210301_100000685645 [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2180 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 2182 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 2183 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 2184 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 2185 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|1,0,0]=3 2186 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,1,0,0,0,0|1,0,0]=3 2187 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,1,0,0,0,0|1,0,0]=3 2188 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,1,0,0,0,0|1,0,0]=3 2189 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [1,1,0,0,0,0|2,0,0]=4 2190 B10R1.1 Cc1ccc(nc1)SCF 62a_100011192072_100015361967 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.1 Cc1ccc(nc1)SCF 62a_100015361967_100000754016 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.1 Cc1cnc(cn1)CN[13CH3] 34a_100132314150_200025704644 [1,1,0,0,0,0|2,0,0]=4 2193 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_100000752025_200025704644 [1,1,0,0,0,0|2,0,0]=4 2195 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_200025704644_100000752025 [1,1,0,0,0,0|2,0,0]=4 2196 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_100000685645_200025704644 [1,1,0,0,0,0|2,0,0]=4 2197 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_200025704644_100000685645 [1,1,0,0,0,0|2,0,0]=4 2198 B10R1.1 FCOc1ccc(cn1)Cl 34a_100011215309_100015361967 [1,1,0,0,0,0|2,0,0]=4 2199 B10R1.1 FCOc1ccc(cn1)F 34a_100000742473_100015361967 [1,1,0,0,0,0|2,0,0]=4 2200 B10R1.1 FCSc1ccc(cn1)Br 62a_100000686858_100015361967 [1,1,0,0,0,0|2,0,0]=4 2201 B10R1.1 FCSc1ccc(cn1)Br 62a_100015361967_100000686858 [1,1,0,0,0,0|2,0,0]=4 2202 B10R1.1 FCSc1ccc(cn1)Cl 62a_100011356976_100015361967 [1,1,0,0,0,0|2,0,0]=4 2203 B10R1.1 FCSc1ccc(cn1)Cl 62a_100015361967_100011356976 [1,1,0,0,0,0|2,0,0]=4 2204 B10R1.1 FCSc1ccc(cn1)F 62a_100000744514_100015361967 [1,1,0,0,0,0|2,0,0]=4 2205 B10R1.1 FCSc1ccc(cn1)F 62a_100015361967_100000744514 [1,1,0,0,0,0|2,0,0]=4 2206 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,1,0,0,0,0|1,0,1]=4 2207 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|2,0,0]=4 2208 B10R1.1 Nc1ccc(nc1)OCF 34a_100000729260_100015361967 [1,1,0,0,0,0|2,0,0]=4 2209 B10R1.1 Nc1ccc(nc1)SCF 62a_100000737798_100015361967 [1,1,0,0,0,0|2,0,0]=4 2210 B10R1.1 Nc1ccc(nc1)SCF 62a_100015361967_100000737798 [1,1,0,0,0,0|2,0,0]=4 2211 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,0]=3 2213 B10R1.1 Oc1ccc(nc1)SCF 62a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.1 Oc1ccc(nc1)SCF 62a_100015361967_100000744096 [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 2220 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 2221 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 2222 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|1,0,0]=3 2225 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|1,0,0]=3 2226 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|1,0,0]=3 2227 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 2228 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2231 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2232 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 2233 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 2234 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 2235 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [1,1,0,0,0,0|1,0,0]=3 2236 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,1,0,0,0,0|1,0,0]=3 2237 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [1,1,0,0,0,0|1,0,0]=3 2238 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [1,1,0,0,0,0|1,0,0]=3 2239 B10R1.1 [13CH3]OCc1cnc(cn1)Cl 34a_100012002382_200025704644 [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 2241 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 2242 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2243 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 2244 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 2247 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [1,1,0,0,0,0|1,0,0]=3 2249 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [1,1,0,0,0,0|1,0,0]=3 2250 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2251 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [1,1,0,0,0,0|1,0,0]=3 2252 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [1,1,0,0,0,0|1,0,0]=3 2253 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [1,1,0,0,0,0|1,0,0]=3 2254 B10R1.1 [13CH3]SCc1ccc(nn1)Cl 62a_100016992710_200025704644 [1,1,0,0,0,0|2,0,0]=4 2255 B10R1.1 [13CH3]SCc1ccc(nn1)Cl 62a_200025704644_100016992710 [1,1,0,0,0,0|2,0,0]=4 2256 B10R1.1 [13CH3]SCc1ncc(cn1)Br 62a_100010064664_200025704644 [1,1,0,0,0,0|2,0,0]=4 2257 B10R1.1 [13CH3]SCc1ncc(cn1)Br 62a_200025704644_100010064664 [1,1,0,0,0,0|2,0,0]=4 2258 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|0,0,2]=4 2259 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|0,0,2]=4 2260 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|0,0,2]=4 2261 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|0,0,2]=4 2262 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|0,0,2]=4 2263 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|0,0,2]=4 2264 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [1,1,0,0,0,0|1,0,0]=3 2265 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2266 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|2,0,0]=4 2267 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|2,0,0]=4 2268 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|2,0,0]=4 2270 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|2,0,0]=4 2271 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 2272 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,1,0,0,0,0|1,0,0]=3 2273 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [1,1,0,0,0,0|2,0,0]=4 2274 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [1,1,0,0,0,0|2,0,0]=4 2275 B10R1.4 CCNc1ncncc1C 27a_100015525214_100011998708 [1,1,0,0,0,0|2,0,0]=4 2276 B10R1.4 CCNc1ncncc1F 27a_100015525214_100000069762 [1,1,0,0,0,0|2,0,0]=4 2277 B10R1.4 CCNc1ncncc1N 27a_100015525214_100000709731 [1,1,0,0,0,0|2,0,0]=4 2278 B10R1.4 CCNc1nnccc1C 27a_100015525214_100000089043 [1,1,0,0,0,0|2,0,0]=4 2279 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 2280 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 2281 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 2282 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 2283 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 2284 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 2285 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 2286 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 2287 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 2289 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 2290 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 2291 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 2292 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|2,0,0]=4 2293 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|1,0,0]=3 2294 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|1,0,0]=3 2295 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|1,0,0]=3 2296 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,0]=3 2297 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,1,0,0,0,0|2,0,0]=4 2298 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,1,0,0,0,0|2,0,0]=4 2299 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,1,0,0,0,0|1,0,1]=4 2300 B10R1.4 CCSc1cccc[n+]1[O-] 62a_100000210202_200000042595 [1,1,0,0,0,0|1,0,1]=4 2301 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|2,0,0]=4 2302 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|2,0,0]=4 2303 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|2,0,0]=4 2304 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|2,0,0]=4 2305 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|2,0,0]=4 2306 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|2,0,0]=4 2307 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|2,0,0]=4 2308 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|2,0,0]=4 2309 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2310 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|2,0,0]=4 2311 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|2,0,0]=4 2312 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|2,0,0]=4 2313 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.4 CCSc1ncc[nH]c1=O 62a_100000210202_100000763361 [1,1,0,0,0,0|2,0,0]=4 2315 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,1,0,0,0,0|1,0,0]=3 2316 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,1,0,0,0,0|1,0,0]=3 2317 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|1,0,0]=3 2318 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|1,0,0]=3 2319 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,1,0,0,0,0|1,0,0]=3 2320 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,1,0,0,0,0|1,0,0]=3 2321 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,1,0,0,0,0|1,0,0]=3 2322 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,1,0,0,0,0|1,0,0]=3 2323 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,1,0,0,0,0|1,0,0]=3 2324 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,1,0,0,0,0|1,0,0]=3 2325 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,1,0,0,0,0|1,0,0]=3 2326 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,1,0,0,0,0|1,0,0]=3 2327 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [1,1,0,0,0,0|2,0,0]=4 2328 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [1,1,0,0,0,0|2,0,0]=4 2329 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [1,1,0,0,0,0|2,0,0]=4 2330 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [1,1,0,0,0,0|2,0,0]=4 2331 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [1,1,0,0,0,0|2,0,0]=4 2332 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [1,1,0,0,0,0|2,0,0]=4 2333 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [1,1,0,0,0,0|2,0,0]=4 2334 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [1,1,0,0,0,0|2,0,0]=4 2335 B10R1.4 CCSc1ncncc1C 62a_100000210202_100011998708 [1,1,0,0,0,0|2,0,0]=4 2336 B10R1.4 CCSc1ncncc1C 62a_100011998708_100000210202 [1,1,0,0,0,0|2,0,0]=4 2337 B10R1.4 CCSc1ncncc1F 62a_100000069762_100000210202 [1,1,0,0,0,0|2,0,0]=4 2338 B10R1.4 CCSc1ncncc1F 62a_100000210202_100000069762 [1,1,0,0,0,0|2,0,0]=4 2339 B10R1.4 CCSc1ncncc1N 62a_100000210202_100000709731 [1,1,0,0,0,0|2,0,0]=4 2340 B10R1.4 CCSc1ncncc1N 62a_100000709731_100000210202 [1,1,0,0,0,0|2,0,0]=4 2341 B10R1.4 CCSc1nnccc1C 62a_100000210202_100000089043 [1,1,0,0,0,0|2,0,0]=4 2342 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 2343 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 2344 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 2345 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 2346 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 2347 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 2348 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 2349 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 2350 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 2351 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 2352 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 2353 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 2356 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 2357 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2358 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 2359 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 2360 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 2361 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2362 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 2363 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 2364 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 2365 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 2366 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 2367 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 2368 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 2369 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 2370 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 2371 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 2372 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 2373 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 2374 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 2375 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|2,0,0]=4 2376 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|2,0,0]=4 2377 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|1,0,0]=3 2378 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|1,0,0]=3 2379 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|1,0,0]=3 2380 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|1,0,0]=3 2381 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|1,0,0]=3 2382 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|1,0,0]=3 2383 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|1,0,0]=3 2384 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|1,0,0]=3 2385 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|1,0,0]=3 2386 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|1,0,0]=3 2387 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|1,0,0]=3 2388 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|1,0,0]=3 2389 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|1,0,0]=3 2390 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|1,0,0]=3 2391 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|1,0,0]=3 2392 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|1,0,0]=3 2393 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|1,0,0]=3 2394 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|1,0,0]=3 2395 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|1,0,0]=3 2396 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|1,0,0]=3 2397 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|1,0,0]=3 2398 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|1,0,0]=3 2399 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|1,0,0]=3 2400 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|1,0,0]=3 2401 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [1,1,0,0,0,0|2,0,0]=4 2403 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [1,1,0,0,0,0|2,0,0]=4 2404 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [1,1,0,0,0,0|2,0,0]=4 2405 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 2406 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 2407 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 2408 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2409 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 2410 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2411 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 2412 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 2413 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 2414 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2415 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 2416 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2417 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2418 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 2419 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2420 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 2421 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 2422 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|1,0,0]=3 2423 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|1,0,0]=3 2424 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2425 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|1,0,0]=3 2426 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|1,0,0]=3 2427 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|1,0,0]=3 2428 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|1,0,0]=3 2429 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|1,0,0]=3 2430 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,0,0]=3 2431 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,1,0,0,0,0|2,0,0]=4 2432 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 2433 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 2434 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 2435 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 2436 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 2437 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 2438 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 2441 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 2442 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 2443 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,1,0,0,0,0|1,0,0]=3 2444 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,1,0,0,0,0|1,0,0]=3 2445 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|1,0,0]=3 2446 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|1,0,0]=3 2447 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,1,0,0,0,0|1,0,0]=3 2448 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,1,0,0,0,0|1,0,0]=3 2449 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,1,0,0,0,0|1,0,0]=3 2450 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,1,0,0,0,0|1,0,0]=3 2451 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,1,0,0,0,0|1,0,0]=3 2452 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,1,0,0,0,0|1,0,0]=3 2453 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 2454 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2455 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2456 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 2457 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 2458 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|1,0,0]=3 2459 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|1,0,0]=3 2460 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|1,0,0]=3 2461 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|1,0,0]=3 2462 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,1,0,0,0,0|2,0,0]=4 2463 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,1,0,0,0,0|2,0,0]=4 2464 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [1,1,0,0,0,0|2,0,0]=4 2465 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [1,1,0,0,0,0|2,0,0]=4 2466 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,1,0,0,0,0|2,0,0]=4 2467 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,1,0,0,0,0|2,0,0]=4 2468 B10R1.4 FCSc1ncccc1Br 62a_100000696092_100015361967 [1,1,0,0,0,0|2,0,0]=4 2469 B10R1.4 FCSc1ncccc1Br 62a_100015361967_100000696092 [1,1,0,0,0,0|2,0,0]=4 2470 B10R1.4 FCSc1ncccc1Cl 62a_100011356963_100015361967 [1,1,0,0,0,0|2,0,0]=4 2471 B10R1.4 FCSc1ncccc1Cl 62a_100015361967_100011356963 [1,1,0,0,0,0|2,0,0]=4 2472 B10R1.4 FCSc1ncccc1F 62a_100000685392_100015361967 [1,1,0,0,0,0|2,0,0]=4 2473 B10R1.4 FCSc1ncccc1F 62a_100015361967_100000685392 [1,1,0,0,0,0|2,0,0]=4 2474 B10R1.4 N#CCc1ncccc1O 271570a_203496583355_100011824415 [1,1,0,0,0,0|1,0,1]=4 2475 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|2,0,0]=4 2476 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,1,0,0,0,0|2,0,0]=4 2477 B10R1.4 Nc1cccnc1SCF 62a_100000688686_100015361967 [1,1,0,0,0,0|2,0,0]=4 2478 B10R1.4 Nc1cccnc1SCF 62a_100015361967_100000688686 [1,1,0,0,0,0|2,0,0]=4 2479 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|2,0,0]=4 2480 B10R1.4 Oc1cccnc1SCF 62a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 2481 B10R1.4 Oc1cccnc1SCF 62a_100015361967_100000034122 [1,1,0,0,0,0|2,0,0]=4 2482 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 2483 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 2484 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2485 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2486 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 2487 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|2,0,0]=4 2488 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|1,0,0]=3 2489 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|1,0,0]=3 2490 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [1,1,0,0,0,0|2,0,0]=4 2491 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 2492 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 2493 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 2494 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 2495 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2496 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2497 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 2498 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 2499 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 2500 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|1,0,0]=3 2501 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|1,0,0]=3 2502 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|1,0,0]=3 2503 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|1,0,0]=3 2504 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,1,0,0,0,0|2,0,0]=4 2505 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 2506 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 2507 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 2508 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 2509 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 2510 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 2511 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 2512 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 2513 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2514 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,1,0,0,0,0|1,0,0]=3 2515 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,1,0,0,0,0|1,0,0]=3 2516 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,1,0,0,0,0|1,0,0]=3 2517 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,1,0,0,0,0|1,0,0]=3 2518 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,1,0,0,0,0|1,0,0]=3 2519 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,1,0,0,0,0|1,0,0]=3 2520 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,1,0,0,0,0|1,0,0]=3 2521 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|0,0,2]=4 2522 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|0,0,2]=4 2523 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|0,0,2]=4 2524 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|0,0,2]=4 2525 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|0,0,2]=4 2526 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|0,0,2]=4 2527 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|0,0,2]=4 2528 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|0,0,2]=4 2529 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|0,0,2]=4 2530 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,0]=3 2531 B10R1.10 CCNc1c[n+](ccn1)[O-] 27a_100015525214_100009880115 [1,1,0,0,0,0|2,0,0]=4 2532 B10R1.10 CCNc1cc(ccn1)F 27a_100015525214_100000764206 [1,1,0,0,0,0|1,0,0]=3 2533 B10R1.10 CCNc1cc(cnn1)C 27a_100015525214_100000070100 [1,1,0,0,0,0|2,0,0]=4 2534 B10R1.10 CCNc1cc(ncn1)C 27a_100015525214_100000744208 [1,1,0,0,0,0|2,0,0]=4 2535 B10R1.10 CCNc1cc(ncn1)F 27a_100015525214_200009880791 [1,1,0,0,0,0|2,0,0]=4 2536 B10R1.10 CCNc1cc(ncn1)N 27a_100015525214_100000701291 [1,1,0,0,0,0|2,0,0]=4 2537 B10R1.10 CCNc1cc(ncn1)O 271570a_203496583355_200000242512 [1,1,0,0,0,0|2,0,0]=4 2538 B10R1.10 CCNc1cc(ncn1)O 27a_100015525214_100000765262 [1,1,0,0,0,0|2,0,0]=4 2539 B10R1.10 CCNc1cc[nH]c(=O)n1 27a_100015525214_200000134032 [1,1,0,0,0,0|2,0,0]=4 2540 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 2541 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 2542 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 2543 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|2,0,0]=4 2544 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|2,0,0]=4 2545 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|2,0,0]=4 2546 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|2,0,0]=4 2547 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 2548 B10R1.10 CCNc1cccc(n1)F 27a_100015525214_100009815982 [1,1,0,0,0,0|1,0,0]=3 2549 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [1,1,0,0,0,0|1,0,0]=3 2550 B10R1.10 CCNc1ccnc(n1)C 27a_100015525214_100000749937 [1,1,0,0,0,0|2,0,0]=4 2551 B10R1.10 CCNc1ccnc(n1)N 27a_100015525214_100000055538 [1,1,0,0,0,0|2,0,0]=4 2552 B10R1.10 CCNc1ccnc(n1)O 271570a_203496583355_100011649949 [1,1,0,0,0,0|2,0,0]=4 2553 B10R1.10 CCNc1cncc(n1)C 27a_100015525214_100000754123 [1,1,0,0,0,0|2,0,0]=4 2554 B10R1.10 CCNc1cncc(n1)Cl 27a_100015525214_100010892449 [1,1,0,0,0,0|2,0,0]=4 2555 B10R1.10 CCNc1cncc(n1)F 27a_100015525214_200009863489 [1,1,0,0,0,0|2,0,0]=4 2556 B10R1.10 CCNc1nccc(n1)C 27a_100015525214_100000750684 [1,1,0,0,0,0|2,0,0]=4 2557 B10R1.10 CCNc1nccc(n1)N 27a_100015525214_100000757536 [1,1,0,0,0,0|2,0,0]=4 2558 B10R1.10 CCNc1nccc(n1)O 271570a_203496583355_100012002086 [1,1,0,0,0,0|2,0,0]=4 2559 B10R1.10 CCNc1nccc(n1)O 27a_100015525214_100011649813 [1,1,0,0,0,0|2,0,0]=4 2560 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|1,0,0]=3 2561 B10R1.10 CCOc1cc(cnn1)C 34a_100000766097_100000210202 [1,1,0,0,0,0|2,0,0]=4 2562 B10R1.10 CCOc1cc(ncn1)O 271570a_203496583355_100000765465 [1,1,0,0,0,0|2,0,0]=4 2563 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|1,0,1]=4 2564 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 2565 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 2566 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 2567 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 2568 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 2569 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 2570 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 2571 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 2572 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 2573 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 2574 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 2575 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|2,0,0]=4 2576 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|1,0,0]=3 2577 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|1,0,0]=3 2578 B10R1.10 CCOc1ccnc(n1)O 271570a_203496583355_100011649779 [1,1,0,0,0,0|2,0,0]=4 2579 B10R1.10 CCOc1cncc(n1)O 271570a_203496583355_100000757043 [1,1,0,0,0,0|2,0,0]=4 2580 B10R1.10 CCSc1c[n+](ccn1)[O-] 62a_100000210202_100009880115 [1,1,0,0,0,0|2,0,0]=4 2581 B10R1.10 CCSc1cc(=O)[nH]cn1 62a_100012002517_100000210202 [1,1,0,0,0,0|2,0,0]=4 2582 B10R1.10 CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210202 [1,1,0,0,0,0|1,0,1]=4 2583 B10R1.10 CCSc1cc(ccn1)C 62a_100000210202_100000750283 [1,1,0,0,0,0|1,0,0]=3 2584 B10R1.10 CCSc1cc(ccn1)C 62a_100000750283_100000210202 [1,1,0,0,0,0|1,0,0]=3 2585 B10R1.10 CCSc1cc(ccn1)Cl 62a_100000210202_100010167805 [1,1,0,0,0,0|1,0,0]=3 2586 B10R1.10 CCSc1cc(ccn1)Cl 62a_100010167805_100000210202 [1,1,0,0,0,0|1,0,0]=3 2587 B10R1.10 CCSc1cc(ccn1)F 62a_100000210202_100000764206 [1,1,0,0,0,0|1,0,0]=3 2588 B10R1.10 CCSc1cc(ccn1)F 62a_100000764206_100000210202 [1,1,0,0,0,0|1,0,0]=3 2589 B10R1.10 CCSc1cc(ccn1)N 62a_100000210202_100009814236 [1,1,0,0,0,0|1,0,0]=3 2590 B10R1.10 CCSc1cc(ccn1)N 62a_100009814236_100000210202 [1,1,0,0,0,0|1,0,0]=3 2591 B10R1.10 CCSc1cc(ccn1)O 62a_100000210202_100000762945 [1,1,0,0,0,0|1,0,0]=3 2592 B10R1.10 CCSc1cc(cnn1)C 62a_100000070100_100000210202 [1,1,0,0,0,0|2,0,0]=4 2593 B10R1.10 CCSc1cc(cnn1)C 62a_100000210202_100000070100 [1,1,0,0,0,0|2,0,0]=4 2594 B10R1.10 CCSc1cc(cnn1)N 62a_100000210202_100011996757 [1,1,0,0,0,0|2,0,0]=4 2595 B10R1.10 CCSc1cc(cnn1)N 62a_100011996757_100000210202 [1,1,0,0,0,0|2,0,0]=4 2596 B10R1.10 CCSc1cc(cnn1)O 62a_100000210202_200010734679 [1,1,0,0,0,0|2,0,0]=4 2597 B10R1.10 CCSc1cc(ncn1)C 62a_100000210202_100000744208 [1,1,0,0,0,0|2,0,0]=4 2598 B10R1.10 CCSc1cc(ncn1)C 62a_100000744208_100000210202 [1,1,0,0,0,0|2,0,0]=4 2599 B10R1.10 CCSc1cc(ncn1)Cl 62a_100000210202_100010161198 [1,1,0,0,0,0|2,0,0]=4 2600 B10R1.10 CCSc1cc(ncn1)Cl 62a_100010161198_100000210202 [1,1,0,0,0,0|2,0,0]=4 2601 B10R1.10 CCSc1cc(ncn1)F 62a_100000210202_200009880791 [1,1,0,0,0,0|2,0,0]=4 2602 B10R1.10 CCSc1cc(ncn1)F 62a_200009880791_100000210202 [1,1,0,0,0,0|2,0,0]=4 2603 B10R1.10 CCSc1cc(ncn1)N 62a_100000210202_100000701291 [1,1,0,0,0,0|2,0,0]=4 2604 B10R1.10 CCSc1cc(ncn1)N 62a_100000701291_100000210202 [1,1,0,0,0,0|2,0,0]=4 2605 B10R1.10 CCSc1cc(ncn1)O 62a_100000210202_100000765262 [1,1,0,0,0,0|2,0,0]=4 2606 B10R1.10 CCSc1cc[nH]c(=O)n1 62a_100000210202_200000134032 [1,1,0,0,0,0|2,0,0]=4 2607 B10R1.10 CCSc1cccc(=O)[nH]1 62a_100000210202_100000752884 [1,1,0,0,0,0|1,0,1]=4 2608 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|2,0,0]=4 2609 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|2,0,0]=4 2610 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|2,0,0]=4 2611 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|2,0,0]=4 2612 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|2,0,0]=4 2613 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|2,0,0]=4 2614 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|2,0,0]=4 2615 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|2,0,0]=4 2616 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 2617 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|2,0,0]=4 2618 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|2,0,0]=4 2619 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|2,0,0]=4 2620 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|2,0,0]=4 2621 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|2,0,0]=4 2622 B10R1.10 CCSc1cccc(n1)Br 62a_100000210202_100000684672 [1,1,0,0,0,0|1,0,0]=3 2623 B10R1.10 CCSc1cccc(n1)Br 62a_100000684672_100000210202 [1,1,0,0,0,0|1,0,0]=3 2624 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [1,1,0,0,0,0|1,0,0]=3 2625 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [1,1,0,0,0,0|1,0,0]=3 2626 B10R1.10 CCSc1cccc(n1)Cl 62a_100000051397_100000210202 [1,1,0,0,0,0|1,0,0]=3 2627 B10R1.10 CCSc1cccc(n1)Cl 62a_100000210202_100000051397 [1,1,0,0,0,0|1,0,0]=3 2628 B10R1.10 CCSc1cccc(n1)F 62a_100000210202_100009815982 [1,1,0,0,0,0|1,0,0]=3 2629 B10R1.10 CCSc1cccc(n1)F 62a_100009815982_100000210202 [1,1,0,0,0,0|1,0,0]=3 2630 B10R1.10 CCSc1cccc(n1)N 62a_100000210202_100000740741 [1,1,0,0,0,0|1,0,0]=3 2631 B10R1.10 CCSc1cccc(n1)N 62a_100000740741_100000210202 [1,1,0,0,0,0|1,0,0]=3 2632 B10R1.10 CCSc1ccnc(n1)C 62a_100000210202_100000749937 [1,1,0,0,0,0|2,0,0]=4 2633 B10R1.10 CCSc1ccnc(n1)C 62a_100000749937_100000210202 [1,1,0,0,0,0|2,0,0]=4 2634 B10R1.10 CCSc1ccnc(n1)Cl 62a_100000210202_100010154678 [1,1,0,0,0,0|2,0,0]=4 2635 B10R1.10 CCSc1ccnc(n1)Cl 62a_100010154678_100000210202 [1,1,0,0,0,0|2,0,0]=4 2636 B10R1.10 CCSc1ccnc(n1)N 62a_100000055538_100000210202 [1,1,0,0,0,0|2,0,0]=4 2637 B10R1.10 CCSc1ccnc(n1)N 62a_100000210202_100000055538 [1,1,0,0,0,0|2,0,0]=4 2638 B10R1.10 CCSc1cncc(n1)C 62a_100000210202_100000754123 [1,1,0,0,0,0|2,0,0]=4 2639 B10R1.10 CCSc1cncc(n1)C 62a_100000754123_100000210202 [1,1,0,0,0,0|2,0,0]=4 2640 B10R1.10 CCSc1cncc(n1)Cl 62a_100000210202_100010892449 [1,1,0,0,0,0|2,0,0]=4 2641 B10R1.10 CCSc1cncc(n1)Cl 62a_100010892449_100000210202 [1,1,0,0,0,0|2,0,0]=4 2642 B10R1.10 CCSc1cncc(n1)F 62a_100000210202_200009863489 [1,1,0,0,0,0|2,0,0]=4 2643 B10R1.10 CCSc1cncc(n1)F 62a_200009863489_100000210202 [1,1,0,0,0,0|2,0,0]=4 2644 B10R1.10 CCSc1cncc(n1)N 62a_100000210202_100000747728 [1,1,0,0,0,0|2,0,0]=4 2645 B10R1.10 CCSc1cncc(n1)N 62a_100000747728_100000210202 [1,1,0,0,0,0|2,0,0]=4 2646 B10R1.10 CCSc1cncc(n1)O 62a_100000210202_100011269956 [1,1,0,0,0,0|2,0,0]=4 2647 B10R1.10 CCSc1nccc(n1)C 62a_100000210202_100011243806 [1,1,0,0,0,0|2,0,0]=4 2648 B10R1.10 CCSc1nccc(n1)C 62a_100011243806_100000210202 [1,1,0,0,0,0|2,0,0]=4 2649 B10R1.10 CCSc1nccc(n1)N 62a_100000210202_100000757536 [1,1,0,0,0,0|2,0,0]=4 2650 B10R1.10 CCSc1nccc(n1)N 62a_100000757536_100000210202 [1,1,0,0,0,0|2,0,0]=4 2651 B10R1.10 CCSc1nccc(n1)O 62a_100000210202_100011649813 [1,1,0,0,0,0|2,0,0]=4 2652 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [1,1,0,0,0,0|1,0,0]=3 2653 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [1,1,0,0,0,0|1,0,0]=3 2654 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [1,1,0,0,0,0|1,0,0]=3 2655 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [1,1,0,0,0,0|1,0,0]=3 2656 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|1,0,0]=3 2657 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|1,0,0]=3 2658 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|1,0,0]=3 2659 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|1,0,0]=3 2660 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|1,0,0]=3 2661 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [1,1,0,0,0,0|1,0,0]=3 2662 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [1,1,0,0,0,0|1,0,0]=3 2663 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [1,1,0,0,0,0|1,0,0]=3 2664 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [1,1,0,0,0,0|1,0,0]=3 2665 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|1,0,0]=3 2666 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [1,1,0,0,0,0|1,0,1]=4 2667 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [1,1,0,0,0,0|1,0,1]=4 2668 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 2669 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2670 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 2671 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 2672 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 2673 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2674 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 2675 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 2676 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|2,0,0]=4 2677 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 2678 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 2679 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|2,0,0]=4 2680 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 2681 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|2,0,0]=4 2682 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 2683 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 2684 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 2685 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 2686 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 2687 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 2688 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 2689 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 2690 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 2691 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 2692 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 2693 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 2694 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 2695 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 2696 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 2697 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 2698 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 2699 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 2700 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 2701 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 2703 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 2704 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|2,0,0]=4 2705 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 2706 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|2,0,0]=4 2707 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|2,0,0]=4 2708 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|2,0,0]=4 2709 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 2710 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 2711 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|2,0,0]=4 2712 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [1,1,0,0,0,0|1,0,0]=3 2713 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [1,1,0,0,0,0|1,0,0]=3 2714 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [1,1,0,0,0,0|1,0,0]=3 2715 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [1,1,0,0,0,0|1,0,0]=3 2716 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [1,1,0,0,0,0|1,0,0]=3 2717 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|1,0,0]=3 2718 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|1,0,0]=3 2719 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|1,0,0]=3 2720 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|1,0,0]=3 2721 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|1,0,0]=3 2722 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|1,0,0]=3 2723 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [1,1,0,0,0,0|1,0,0]=3 2724 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [1,1,0,0,0,0|1,0,0]=3 2725 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [1,1,0,0,0,0|1,0,0]=3 2726 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [1,1,0,0,0,0|1,0,0]=3 2727 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [1,1,0,0,0,0|1,0,0]=3 2728 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [1,1,0,0,0,0|1,0,0]=3 2729 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [1,1,0,0,0,0|1,0,0]=3 2730 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [1,1,0,0,0,0|1,0,0]=3 2731 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [1,1,0,0,0,0|1,0,0]=3 2732 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [1,1,0,0,0,0|1,0,0]=3 2733 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [1,1,0,0,0,0|1,0,0]=3 2734 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|1,0,0]=3 2735 B10R1.10 CNCc1ccnc(n1)C 270004a_106832991635_100011361539 [1,1,0,0,0,0|2,0,0]=4 2736 B10R1.10 CNCc1ccnc(n1)Cl 2230a_106832991635_100000099655 [1,1,0,0,0,0|2,0,0]=4 2737 B10R1.10 CNCc1ccnc(n1)Cl 34a_100102657272_100000099655 [1,1,0,0,0,0|2,0,0]=4 2738 B10R1.10 CNCc1ccnc(n1)Cl 7a_106832991635_100000099655 [1,1,0,0,0,0|2,0,0]=4 2739 B10R1.10 CNCc1cncc(n1)C 207a_100102657272_100000100294 [1,1,0,0,0,0|2,0,0]=4 2740 B10R1.10 CNCc1cncc(n1)C 270004a_106832991635_100000100294 [1,1,0,0,0,0|2,0,0]=4 2741 B10R1.10 CNCc1nccc(n1)C 2230a_100015186494_200000210301 [1,1,0,0,0,0|2,0,0]=4 2742 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [1,1,0,0,0,0|1,0,0]=3 2743 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [1,1,0,0,0,0|1,0,0]=3 2744 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [1,1,0,0,0,0|1,0,0]=3 2745 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [1,1,0,0,0,0|1,0,0]=3 2746 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [1,1,0,0,0,0|1,0,0]=3 2747 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [1,1,0,0,0,0|1,0,0]=3 2748 B10R1.10 COCc1cc(cnn1)C 34a_100016212594_200000210301 [1,1,0,0,0,0|2,0,0]=4 2749 B10R1.10 COCc1cc(ncn1)O 271570a_203496583355_100000688101 [1,1,0,0,0,0|2,0,0]=4 2750 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 2751 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 2752 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 2753 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 2754 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 2756 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2757 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 2758 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2759 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 2760 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 2761 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 2762 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 2763 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 2765 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 2766 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 2767 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 2768 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [1,1,0,0,0,0|1,0,0]=3 2769 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [1,1,0,0,0,0|1,0,0]=3 2770 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [1,1,0,0,0,0|1,0,0]=3 2771 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [1,1,0,0,0,0|1,0,0]=3 2772 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2773 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [1,1,0,0,0,0|1,0,0]=3 2774 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [1,1,0,0,0,0|1,0,0]=3 2775 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [1,1,0,0,0,0|1,0,0]=3 2776 B10R1.10 COCc1ccnc(n1)Cl 34a_100138415774_100000099655 [1,1,0,0,0,0|2,0,0]=4 2777 B10R1.10 CSCc1cc(ccn1)Br 62a_100010173614_200000210301 [1,1,0,0,0,0|1,0,0]=3 2778 B10R1.10 CSCc1cc(ccn1)Br 62a_200000210301_100010173614 [1,1,0,0,0,0|1,0,0]=3 2779 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [1,1,0,0,0,0|1,0,0]=3 2780 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [1,1,0,0,0,0|1,0,0]=3 2781 B10R1.10 CSCc1cc(ccn1)Cl 62a_100016988179_200000210301 [1,1,0,0,0,0|1,0,0]=3 2782 B10R1.10 CSCc1cc(ccn1)Cl 62a_200000210301_100016988179 [1,1,0,0,0,0|1,0,0]=3 2783 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 2784 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 2785 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 2786 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 2787 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 2788 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 2789 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 2790 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 2791 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 2792 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 2793 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 2794 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 2795 B10R1.10 CSCc1cccc(n1)Br 62a_100009889011_200000210301 [1,1,0,0,0,0|1,0,0]=3 2796 B10R1.10 CSCc1cccc(n1)Br 62a_200000210301_100009889011 [1,1,0,0,0,0|1,0,0]=3 2797 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [1,1,0,0,0,0|1,0,0]=3 2798 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [1,1,0,0,0,0|1,0,0]=3 2799 B10R1.10 CSCc1cccc(n1)Cl 62a_100000086093_200000210301 [1,1,0,0,0,0|1,0,0]=3 2800 B10R1.10 CSCc1cccc(n1)Cl 62a_200000210301_100000086093 [1,1,0,0,0,0|1,0,0]=3 2801 B10R1.10 CSCc1cccc(n1)F 62a_100009819644_200000210301 [1,1,0,0,0,0|1,0,0]=3 2802 B10R1.10 CSCc1cccc(n1)F 62a_200000210301_100009819644 [1,1,0,0,0,0|1,0,0]=3 2803 B10R1.10 CSCc1ccnc(n1)Cl 62a_100000099655_200000210301 [1,1,0,0,0,0|2,0,0]=4 2804 B10R1.10 CSCc1ccnc(n1)Cl 62a_200000210301_100000099655 [1,1,0,0,0,0|2,0,0]=4 2805 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 2806 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 2807 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 2808 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 2809 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 2810 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 2811 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|1,0,0]=3 2812 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [1,1,0,0,0,0|1,0,0]=3 2813 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [1,1,0,0,0,0|1,0,0]=3 2814 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [1,1,0,0,0,0|1,0,0]=3 2815 B10R1.10 Cc1cccc(n1)SCF 62a_100000742759_100015361967 [1,1,0,0,0,0|2,0,0]=4 2816 B10R1.10 Cc1cccc(n1)SCF 62a_100015361967_100000742759 [1,1,0,0,0,0|2,0,0]=4 2817 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [1,1,0,0,0,0|1,0,0]=3 2818 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [1,1,0,0,0,0|1,0,0]=3 2819 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [1,1,0,0,0,0|1,0,0]=3 2820 B10R1.10 Cc1ccnc(c1)SCF 62a_100000750283_100015361967 [1,1,0,0,0,0|2,0,0]=4 2821 B10R1.10 Cc1ccnc(c1)SCF 62a_100015361967_100000750283 [1,1,0,0,0,0|2,0,0]=4 2822 B10R1.10 Cc1ccnc(n1)CN[13CH3] 2230a_100015186494_200025704644 [1,1,0,0,0,0|2,0,0]=4 2823 B10R1.10 Cc1cnnc(c1)CO[13CH3] 34a_100016212594_200025704644 [1,1,0,0,0,0|2,0,0]=4 2824 B10R1.10 FCOc1cccc(n1)F 34a_100011432558_100015361967 [1,1,0,0,0,0|2,0,0]=4 2825 B10R1.10 FCSc1cc(ccn1)Cl 62a_100010167805_100015361967 [1,1,0,0,0,0|2,0,0]=4 2826 B10R1.10 FCSc1cc(ccn1)Cl 62a_100015361967_100010167805 [1,1,0,0,0,0|2,0,0]=4 2827 B10R1.10 FCSc1cc(ccn1)F 62a_100000764206_100015361967 [1,1,0,0,0,0|2,0,0]=4 2828 B10R1.10 FCSc1cc(ccn1)F 62a_100015361967_100000764206 [1,1,0,0,0,0|2,0,0]=4 2829 B10R1.10 FCSc1cccc(n1)Br 62a_100000684672_100015361967 [1,1,0,0,0,0|2,0,0]=4 2830 B10R1.10 FCSc1cccc(n1)Br 62a_100015361967_100000684672 [1,1,0,0,0,0|2,0,0]=4 2831 B10R1.10 FCSc1cccc(n1)Cl 62a_100000051397_100015361967 [1,1,0,0,0,0|2,0,0]=4 2832 B10R1.10 FCSc1cccc(n1)Cl 62a_100015361967_100000051397 [1,1,0,0,0,0|2,0,0]=4 2833 B10R1.10 FCSc1cccc(n1)F 62a_100009815982_100015361967 [1,1,0,0,0,0|2,0,0]=4 2834 B10R1.10 FCSc1cccc(n1)F 62a_100015361967_100009815982 [1,1,0,0,0,0|2,0,0]=4 2835 B10R1.10 N#CCc1cc(ccn1)O 271570a_203496583355_100009875060 [1,1,0,0,0,0|1,0,1]=4 2836 B10R1.10 N#CCc1cccc(n1)O 271570a_203496583355_100000727631 [1,1,0,0,0,0|1,0,1]=4 2837 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|2,0,0]=4 2838 B10R1.10 Nc1cccc(n1)SCF 62a_100000740741_100015361967 [1,1,0,0,0,0|2,0,0]=4 2839 B10R1.10 Nc1cccc(n1)SCF 62a_100015361967_100000740741 [1,1,0,0,0,0|2,0,0]=4 2840 B10R1.10 Nc1ccnc(c1)SCF 62a_100009814236_100015361967 [1,1,0,0,0,0|2,0,0]=4 2841 B10R1.10 Nc1ccnc(c1)SCF 62a_100015361967_100009814236 [1,1,0,0,0,0|2,0,0]=4 2842 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|2,0,0]=4 2843 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|1,0,0]=3 2844 B10R1.10 Oc1ccnc(c1)SCF 62a_100015361967_100000762945 [1,1,0,0,0,0|2,0,0]=4 2845 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [1,1,0,0,0,0|1,0,1]=4 2846 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2847 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2848 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 2849 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 2850 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 2851 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 2852 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 2853 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 2854 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 2856 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [1,1,0,0,0,0|1,0,0]=3 2857 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [1,1,0,0,0,0|1,0,0]=3 2858 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [1,1,0,0,0,0|1,0,0]=3 2859 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [1,1,0,0,0,0|1,0,0]=3 2860 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [1,1,0,0,0,0|1,0,0]=3 2861 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [1,1,0,0,0,0|1,0,0]=3 2862 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 2864 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2866 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 2867 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 2868 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [1,1,0,0,0,0|1,0,0]=3 2872 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2873 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [1,1,0,0,0,0|1,0,0]=3 2874 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_100010173614_200025704644 [1,1,0,0,0,0|1,0,0]=3 2875 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_200025704644_100010173614 [1,1,0,0,0,0|1,0,0]=3 2876 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_100016988179_200025704644 [1,1,0,0,0,0|1,0,0]=3 2877 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_200025704644_100016988179 [1,1,0,0,0,0|1,0,0]=3 2878 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 2880 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 2881 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 2882 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 2886 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 2887 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_100009889011_200025704644 [1,1,0,0,0,0|1,0,0]=3 2889 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_200025704644_100009889011 [1,1,0,0,0,0|1,0,0]=3 2890 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_100000086093_200025704644 [1,1,0,0,0,0|1,0,0]=3 2891 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_200025704644_100000086093 [1,1,0,0,0,0|1,0,0]=3 2892 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_100009819644_200025704644 [1,1,0,0,0,0|1,0,0]=3 2893 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_200025704644_100009819644 [1,1,0,0,0,0|1,0,0]=3 2894 B10R1.10 [13CH3]SCc1ccnc(n1)Cl 62a_100000099655_200025704644 [1,1,0,0,0,0|2,0,0]=4 2895 B10R1.10 [13CH3]SCc1ccnc(n1)Cl 62a_200025704644_100000099655 [1,1,0,0,0,0|2,0,0]=4 2896 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,1,0,0,0,0|1,0,0]=3 2897 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2898 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 2899 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 2900 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [1,1,0,0,0,0|2,0,0]=4 2901 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [1,1,0,0,0,0|2,0,0]=4 2902 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,1]=4 2903 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 2904 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2905 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|2,0,0]=4 2906 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2907 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 2908 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2909 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2910 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2911 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2912 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 2913 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|2,0,0]=4 2914 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|2,0,0]=4 2915 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 2916 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,1,0,0,0,0|1,0,0]=3 2917 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,1,0,0,0,0|1,0,0]=3 2918 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [1,1,0,0,0,0|2,0,0]=4 2919 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [1,1,0,0,0,0|2,0,0]=4 2920 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [1,1,0,0,0,0|2,0,0]=4 2921 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [1,1,0,0,0,0|2,0,0]=4 2922 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2923 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [1,1,0,0,0,0|2,0,0]=4 2924 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|2,0,0]=4 2925 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [1,1,0,0,0,0|2,0,0]=4 2926 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 2927 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 2928 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 2929 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 2930 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 2931 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [1,1,0,0,0,0|2,0,0]=4 2932 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [1,1,0,0,0,0|2,0,0]=4 2933 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|2,0,0]=4 2934 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [1,1,0,0,0,0|2,0,0]=4 2935 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 2936 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 2937 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [1,1,0,0,0,0|0,0,2]=4 2938 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,1,0,0,0,0|0,0,2]=4 2939 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,1,0,0,0,0|0,0,2]=4 2940 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [1,1,0,0,0,0|1,0,1]=4 2941 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,0]=3 2942 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,1,0,0,0,0|0,0,0]=2 2943 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,1,0,0,0,0|2,0,0]=4 2944 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,1,0,0,0,0|1,0,0]=3 2945 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,1,0,0,0,0|2,0,0]=4 2946 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,1,0,0,0,0|1,0,0]=3 2947 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,1,0,0,0,0|1,0,0]=3 2948 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,1,0,0,0,0|1,0,0]=3 2949 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,0]=3 2950 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|1,0,0]=3 2951 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|1,0,0]=3 2952 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,1,0,0,0,0|2,0,0]=4 2953 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,1,0,0,0,0|2,0,0]=4 2954 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,1,0,0,0,0|2,0,0]=4 2955 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|1,0,0]=3 2956 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|1,0,0]=3 2957 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,1,0,0,0,0|0,0,0]=2 2958 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,1,0,0,0,0|0,0,0]=2 2959 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,1,0,0,0,0|2,0,0]=4 2960 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,1,0,0,0,0|2,0,0]=4 2961 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [1,1,0,0,0,0|1,0,0]=3 2962 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [1,1,0,0,0,0|1,0,0]=3 2963 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,1,0,0,0,0|2,0,0]=4 2964 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,1,0,0,0,0|2,0,0]=4 2965 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [1,1,0,0,0,0|1,0,0]=3 2966 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [1,1,0,0,0,0|1,0,0]=3 2967 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [1,1,0,0,0,0|1,0,0]=3 2968 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [1,1,0,0,0,0|1,0,0]=3 2969 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [1,1,0,0,0,0|1,0,0]=3 2970 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [1,1,0,0,0,0|1,0,0]=3 2971 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,0]=3 2972 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,0]=3 2973 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,0]=3 2974 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,0]=3 2975 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,0]=3 2976 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,1,0,0,0,0|0,0,0]=2 2977 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,1,0,0,0,0|0,0,0]=2 2978 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,1,0,0,0,0|0,0,0]=2 2979 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,1,0,0,0,0|2,0,0]=4 2980 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,1,0,0,0,0|2,0,0]=4 2981 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,1,0,0,0,0|2,0,0]=4 2982 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [1,1,0,0,0,0|1,0,0]=3 2983 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [1,1,0,0,0,0|1,0,0]=3 2984 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,1,0,0,0,0|2,0,0]=4 2985 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,1,0,0,0,0|2,0,0]=4 2986 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [1,1,0,0,0,0|1,0,0]=3 2987 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [1,1,0,0,0,0|1,0,0]=3 2988 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [1,1,0,0,0,0|1,0,0]=3 2989 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [1,1,0,0,0,0|1,0,0]=3 2990 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|1,0,0]=3 2991 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|1,0,0]=3 2992 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|1,0,0]=3 2993 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,1,0,0,0,0|0,0,0]=2 2994 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,1,0,0,0,0|2,0,0]=4 2995 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,1,0,0,0,0|1,0,0]=3 2996 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,1,0,0,0,0|1,0,0]=3 2997 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [1,1,0,0,0,0|1,0,0]=3 2998 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|1,0,0]=3 2999 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|1,0,0]=3 3000 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,1,0,0,0,0|0,0,0]=2 3001 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,1,0,0,0,0|0,0,0]=2 3002 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,1,0,0,0,0|2,0,0]=4 3003 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,1,0,0,0,0|2,0,0]=4 3004 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [1,1,0,0,0,0|1,0,0]=3 3005 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [1,1,0,0,0,0|1,0,0]=3 3006 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,1,0,0,0,0|2,0,0]=4 3007 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,1,0,0,0,0|2,0,0]=4 3008 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [1,1,0,0,0,0|1,0,0]=3 3009 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [1,1,0,0,0,0|1,0,0]=3 3010 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [1,1,0,0,0,0|1,0,0]=3 3011 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [1,1,0,0,0,0|1,0,0]=3 3012 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|1,0,0]=3 3013 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|1,0,0]=3 3014 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|1,0,0]=3 3015 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|1,0,0]=3 3016 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|1,0,0]=3 3017 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,1,0,0,0,0|0,0,0]=2 3018 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,1,0,0,0,0|0,0,0]=2 3019 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,1,0,0,0,0|2,0,0]=4 3020 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,1,0,0,0,0|2,0,0]=4 3021 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,1,0,0,0,0|2,0,0]=4 3022 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,1,0,0,0,0|2,0,0]=4 3024 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|2,0,0]=4 3025 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|1,0,0]=3 3026 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|1,0,0]=3 3027 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|1,0,0]=3 3028 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,1,0,0,0,0|0,0,0]=2 3029 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,1,0,0,0,0|2,0,0]=4 3030 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,1,0,0,0,0|2,0,0]=4 3031 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,1,0,0,0,0|1,0,0]=3 3032 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|2,0,0]=4 3033 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|2,0,0]=4 3034 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,1,0,0,0,0|1,0,0]=3 3035 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,1,0,0,0,0|1,0,0]=3 3036 B10R1.17 COCSc1cccnn1 62a_100000766300_100016991348 [1,1,0,0,0,0|2,0,0]=4 3037 B10R1.17 COCSc1cccnn1 62a_100016991348_100000766300 [1,1,0,0,0,0|2,0,0]=4 3038 B10R1.17 COCSc1ccncn1 62a_100000703185_100000766300 [1,1,0,0,0,0|2,0,0]=4 3039 B10R1.17 COCSc1ccncn1 62a_100000766300_100000703185 [1,1,0,0,0,0|2,0,0]=4 3040 B10R1.17 COCSc1cnccn1 62a_100000211759_100000766300 [1,1,0,0,0,0|2,0,0]=4 3041 B10R1.17 COCSc1cnccn1 62a_100000766300_100000211759 [1,1,0,0,0,0|2,0,0]=4 3042 B10R1.17 COCSc1ncccn1 62a_100000211032_100000766300 [1,1,0,0,0,0|2,0,0]=4 3043 B10R1.17 COCSc1ncccn1 62a_100000766300_100000211032 [1,1,0,0,0,0|2,0,0]=4 3044 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|1,0,0]=3 3045 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|1,0,0]=3 3046 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,1,0,0,0,0|0,0,0]=2 3047 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,1,0,0,0,0|0,0,0]=2 3048 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,1,0,0,0,0|2,0,0]=4 3049 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,1,0,0,0,0|2,0,0]=4 3050 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,1,0,0,0,0|2,0,0]=4 3051 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,1,0,0,0,0|2,0,0]=4 3052 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|2,0,0]=4 3053 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|2,0,0]=4 3054 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|2,0,0]=4 3055 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|2,0,0]=4 3056 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|2,0,0]=4 3057 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|2,0,0]=4 3058 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,1,0,0,0,0|1,0,0]=3 3059 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,1,0,0,0,0|1,0,0]=3 3060 B10R1.17 CSCSc1cccnn1 62a_100011218213_100016991348 [1,1,0,0,0,0|2,0,0]=4 3061 B10R1.17 CSCSc1cccnn1 62a_100016991348_100011218213 [1,1,0,0,0,0|2,0,0]=4 3062 B10R1.17 CSCSc1ccncn1 62a_100000703185_100011218213 [1,1,0,0,0,0|2,0,0]=4 3063 B10R1.17 CSCSc1ccncn1 62a_100011218213_100000703185 [1,1,0,0,0,0|2,0,0]=4 3064 B10R1.17 CSCSc1cnccn1 62a_100000211759_100011218213 [1,1,0,0,0,0|2,0,0]=4 3065 B10R1.17 CSCSc1cnccn1 62a_100011218213_100000211759 [1,1,0,0,0,0|2,0,0]=4 3066 B10R1.17 CSCSc1ncccn1 62a_100000211032_100011218213 [1,1,0,0,0,0|2,0,0]=4 3067 B10R1.17 CSCSc1ncccn1 62a_100011218213_100000211032 [1,1,0,0,0,0|2,0,0]=4 3068 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|2,0,0]=4 3069 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|2,0,0]=4 3070 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|2,0,0]=4 3072 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|2,0,0]=4 3073 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,1,0,0,0,0|1,0,0]=3 3074 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,1,0,0,0,0|1,0,0]=3 3075 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [1,1,0,0,0,0|2,0,0]=4 3076 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [1,1,0,0,0,0|2,0,0]=4 3077 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [1,1,0,0,0,0|2,0,0]=4 3078 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [1,1,0,0,0,0|2,0,0]=4 3079 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [1,1,0,0,0,0|2,0,0]=4 3080 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [1,1,0,0,0,0|2,0,0]=4 3081 B10R1.17 FCCSc1ncccn1 62a_100000211032_100011217306 [1,1,0,0,0,0|2,0,0]=4 3082 B10R1.17 FCCSc1ncccn1 62a_100011217306_100000211032 [1,1,0,0,0,0|2,0,0]=4 3083 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|2,0,0]=4 3084 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|2,0,0]=4 3085 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|2,0,0]=4 3086 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|2,0,0]=4 3087 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,1,0,0,0,0|1,0,0]=3 3089 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,1,0,0,0,0|1,0,0]=3 3090 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [1,1,0,0,0,0|2,0,0]=4 3091 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [1,1,0,0,0,0|2,0,0]=4 3095 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [1,1,0,0,0,0|2,0,0]=4 3096 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [1,1,0,0,0,0|1,0,1]=4 3097 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [1,1,0,0,0,0|1,0,1]=4 3098 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|1,0,1]=4 3099 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|1,0,1]=4 3100 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|2,0,0]=4 3101 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [1,1,0,0,0,0|2,0,0]=4 3102 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [1,1,0,0,0,0|2,0,0]=4 3103 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [1,1,0,0,0,0|2,0,0]=4 3104 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [1,1,0,0,0,0|2,0,0]=4 3105 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|2,0,0]=4 3106 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|2,0,0]=4 3107 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|2,0,0]=4 3108 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|2,0,0]=4 3109 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,1,0,0,0,0|1,0,0]=3 3110 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,1,0,0,0,0|1,0,0]=3 3111 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [1,1,0,0,0,0|2,0,0]=4 3112 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [1,1,0,0,0,0|2,0,0]=4 3113 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [1,1,0,0,0,0|2,0,0]=4 3114 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [1,1,0,0,0,0|2,0,0]=4 3115 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [1,1,0,0,0,0|2,0,0]=4 3116 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [1,1,0,0,0,0|2,0,0]=4 3117 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [1,1,0,0,0,0|2,0,0]=4 3118 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [1,1,0,0,0,0|2,0,0]=4 3119 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|1,0,0]=3 3120 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|1,0,0]=3 3121 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,1,0,0,0,0|2,0,0]=4 3122 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|1,0,0]=3 3123 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|1,0,0]=3 3124 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,1,0,0,0,0|0,0,0]=2 3125 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,1,0,0,0,0|2,0,0]=4 3126 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,1,0,0,0,0|2,0,0]=4 3127 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,1,0,0,0,0|1,0,0]=3 3128 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|1,0,0]=3 3129 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|1,0,0]=3 3130 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,1,0,0,0,0|0,0,0]=2 3131 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,1,0,0,0,0|0,0,0]=2 3132 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,1,0,0,0,0|2,0,0]=4 3133 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,1,0,0,0,0|2,0,0]=4 3134 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,1,0,0,0,0|2,0,0]=4 3136 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|2,0,0]=4 3137 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|2,0,0]=4 3138 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,1,0|0,0,2]=4 3139 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,1,0|0,0,2]=4 3140 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,1,0|0,0,2]=4 3141 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,1,0|0,0,2]=4 3142 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,1,0|0,0,2]=4 3143 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,1,0|0,0,2]=4 3144 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,1,0|1,0,1]=4 3145 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,1,0,0,1,0|1,0,0]=3 3146 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [0,1,0,0,1,0|0,0,0]=2 3147 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [0,1,0,0,1,0|2,0,0]=4 3148 B10R1.13 CC(C)c1ncc(cn1)O 271570a_203496583355_200009814916 [0,1,0,0,1,0|1,0,0]=3 3149 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [0,1,0,0,1,0|1,0,0]=3 3150 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,1,0|2,0,0]=4 3151 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,1,0|1,0,0]=3 3152 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,1,0,0,1,0|2,0,0]=4 3153 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,1,0,0,1,0|2,0,0]=4 3154 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,1,0,0,1,0|2,0,0]=4 3155 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,1,0,0,1,0|2,0,0]=4 3156 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,1,0,0,1,0|2,0,0]=4 3157 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,1,0,0,1,0|2,0,0]=4 3158 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,1,0,0,1,0|2,0,0]=4 3159 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,1,0,0,1,0|2,0,0]=4 3160 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,1,0,0,1,0|2,0,0]=4 3161 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,1,0,0,1,0|2,0,0]=4 3162 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,1,0,0,1,0|2,0,0]=4 3163 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,1,0,0,1,0|2,0,0]=4 3164 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,1,0,0,1,0|2,0,0]=4 3165 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,1,0,0,1,0|2,0,0]=4 3166 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,1,0,0,1,0|2,0,0]=4 3167 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [0,1,0,0,1,0|1,0,0]=3 3168 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [0,1,0,0,1,0|1,0,0]=3 3169 B10R1.13 CN(C)c1ccc(nn1)O 271570a_203496583355_100000215273 [0,1,0,0,1,0|2,0,0]=4 3170 B10R1.13 CN(C)c1cnc(cn1)Br 27a_100102631434_100010187541 [0,1,0,0,1,0|2,0,0]=4 3171 B10R1.13 CN(C)c1cnc(cn1)F 27a_100102631434_100009856528 [0,1,0,0,1,0|2,0,0]=4 3172 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [0,1,0,0,1,0|2,0,0]=4 3173 B10R1.13 CN(C)c1ncc(cn1)Br 27a_100102631434_100000690281 [0,1,0,0,1,0|2,0,0]=4 3174 B10R1.13 CN(C)c1ncc(cn1)Cl 27a_100102631434_100011356929 [0,1,0,0,1,0|2,0,0]=4 3175 B10R1.13 CN(C)c1ncc(cn1)F 27a_100102631434_100000685220 [0,1,0,0,1,0|2,0,0]=4 3176 B10R1.13 CN(C)c1ncc(cn1)O 271570a_203496583355_100011934759 [0,1,0,0,1,0|2,0,0]=4 3177 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,1,0,0,1,0|2,0,0]=4 3178 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,1,0,0,1,0|2,0,0]=4 3179 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,1,0,0,1,0|2,0,0]=4 3180 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,1,0,0,1,0|2,0,0]=4 3181 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,1,0,0,1,0|2,0,0]=4 3182 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,1,0,0,1,0|2,0,0]=4 3183 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,1,0,0,1,0|2,0,0]=4 3184 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,1,0,0,1,0|2,0,0]=4 3185 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,1,0,0,1,0|2,0,0]=4 3186 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,1,0,0,1,0|2,0,0]=4 3187 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,1,0,0,1,0|2,0,0]=4 3188 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,1,0,0,1,0|2,0,0]=4 3189 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,1,0,0,1,0|2,0,0]=4 3190 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,1,0,0,1,0|2,0,0]=4 3191 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,1,0,0,1,0|2,0,0]=4 3192 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,1,0,0,1,0|2,0,0]=4 3193 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,1,0,0,1,0|2,0,0]=4 3194 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,1,0,0,1,0|2,0,0]=4 3195 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,1,0,0,1,0|2,0,0]=4 3196 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,1,0,0,1,0|2,0,0]=4 3197 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,1,0,0,1,0|2,0,0]=4 3198 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,1,0,0,1,0|2,0,0]=4 3199 B10R1.13 Cc1ccc(nn1)N(C)C 27a_100102631434_100000744512 [0,1,0,0,1,0|2,0,0]=4 3200 B10R1.13 Cc1cnc(cn1)N(C)C 27a_100102631434_100000074397 [0,1,0,0,1,0|2,0,0]=4 3201 B10R1.13 Cc1cnc(nc1)N(C)C 27a_100102631434_100000061069 [0,1,0,0,1,0|2,0,0]=4 3202 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [0,1,0,0,1,0|2,0,0]=4 3203 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,1,0|0,0,2]=4 3204 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,1,0|0,0,2]=4 3205 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,1,0|0,0,2]=4 3206 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,1,0|0,0,2]=4 3207 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,1,0|0,0,2]=4 3208 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,1,0|0,0,2]=4 3209 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,1,0|1,0,1]=4 3210 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,1,0,0,1,0|1,0,0]=3 3211 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,1,0,0,1,0|2,0,0]=4 3212 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [0,1,0,0,1,0|1,0,0]=3 3213 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,1,0,0,1,0|2,0,0]=4 3214 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,1,0,0,1,0|1,0,0]=3 3215 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,1,0,0,1,0|2,0,0]=4 3216 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,1,0,0,1,0|2,0,0]=4 3217 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,1,0,0,1,0|2,0,0]=4 3218 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,1,0,0,1,0|2,0,0]=4 3219 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,1,0,0,1,0|2,0,0]=4 3220 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,1,0,0,1,0|2,0,0]=4 3221 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,1,0,0,1,0|2,0,0]=4 3222 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 3223 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 3224 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 3225 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 3226 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,1,0,0,1,0|2,0,0]=4 3227 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,1,0,0,1,0|2,0,0]=4 3228 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,1,0,0,1,0|1,0,0]=3 3229 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,1,0,0,1,0|1,0,0]=3 3230 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,1,0,0,1,0|2,0,0]=4 3231 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,1,0,0,1,0|2,0,0]=4 3232 B10R1.61 CN(C)c1ncncc1F 27a_100102631434_100000069762 [0,1,0,0,1,0|2,0,0]=4 3233 B10R1.61 CN(C)c1ncncc1N 27a_100102631434_100000709731 [0,1,0,0,1,0|2,0,0]=4 3234 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,1,0,0,1,0|2,0,0]=4 3235 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,1,0,0,1,0|2,0,0]=4 3236 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,1,0,0,1,0|2,0,0]=4 3237 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,1,0,0,1,0|2,0,0]=4 3238 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,1,0,0,1,0|2,0,0]=4 3239 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,1,0,0,1,0|2,0,0]=4 3240 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 3241 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 3242 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 3243 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 3244 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,1,0,0,1,0|2,0,0]=4 3245 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,1,0|1,0,0]=3 3246 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,1,0,0,1,0|2,0,0]=4 3247 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,1,0,0,1,0|2,0,0]=4 3248 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,1,0,0,1,0|2,0,0]=4 3249 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,1,0,0,1,0|2,0,0]=4 3250 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,1,0,0,1,0|2,0,0]=4 3251 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,1,0,0,1,0|2,0,0]=4 3252 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [0,1,0,0,1,0|2,0,0]=4 3253 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [0,1,0,0,1,0|2,0,0]=4 3254 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,1,0,0,1,0|2,0,0]=4 3255 B10R1.61 Oc1cccnc1C(F)F 271570a_203496583355_100010079810 [0,1,0,0,1,0|2,0,0]=4 3256 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,1,0|0,0,2]=4 3257 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,1,0|0,0,2]=4 3258 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,1,0|0,0,2]=4 3259 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,1,0|0,0,2]=4 3260 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,1,0|0,0,2]=4 3261 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,1,0|0,0,2]=4 3262 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,1,0|0,0,2]=4 3263 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,1,0|0,0,2]=4 3264 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,1,0|0,0,2]=4 3265 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,1,0|1,0,1]=4 3266 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,1,0|1,0,1]=4 3267 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [0,1,0,0,1,0|0,0,0]=2 3268 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,1,0,0,1,0|1,0,0]=3 3269 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,1,0,0,1,0|0,0,0]=2 3270 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [0,1,0,0,1,0|2,0,0]=4 3271 B10R1.113 CC(C)c1ccnc(n1)O 271570a_203496583355_100011935126 [0,1,0,0,1,0|1,0,0]=3 3272 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [0,1,0,0,1,0|2,0,0]=4 3273 B10R1.113 CC(C)c1cncc(n1)O 271570a_203496583355_100012056704 [0,1,0,0,1,0|1,0,0]=3 3274 B10R1.113 CC(C)c1nccc(n1)O 271570a_203496583355_100000752938 [0,1,0,0,1,0|1,0,0]=3 3275 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,1,0,0,1,0|2,0,0]=4 3276 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [0,1,0,0,1,0|1,0,0]=3 3277 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,1,0|1,0,0]=3 3278 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,1,0|2,0,0]=4 3279 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,1,0|1,0,0]=3 3280 B10R1.113 CN(C)c1c[n+](ccn1)[O-] 27a_100102631434_100009880115 [0,1,0,0,1,0|2,0,0]=4 3281 B10R1.113 CN(C)c1cc(ccn1)F 27a_100102631434_100000764206 [0,1,0,0,1,0|1,0,0]=3 3282 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [0,1,0,0,1,0|1,0,0]=3 3283 B10R1.113 CN(C)c1cc(ncn1)F 27a_100102631434_200009880791 [0,1,0,0,1,0|2,0,0]=4 3284 B10R1.113 CN(C)c1cc(ncn1)N 27a_100102631434_100000701291 [0,1,0,0,1,0|2,0,0]=4 3285 B10R1.113 CN(C)c1cc(ncn1)O 271570a_203496583355_100011443277 [0,1,0,0,1,0|2,0,0]=4 3286 B10R1.113 CN(C)c1cc(ncn1)O 27a_100102631434_100000765262 [0,1,0,0,1,0|2,0,0]=4 3287 B10R1.113 CN(C)c1cc[nH]c(=O)n1 27a_100102631434_200000134032 [0,1,0,0,1,0|2,0,0]=4 3288 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,1,0,0,1,0|2,0,0]=4 3289 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,1,0,0,1,0|2,0,0]=4 3290 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,1,0,0,1,0|2,0,0]=4 3291 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,1,0,0,1,0|2,0,0]=4 3292 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,1,0,0,1,0|2,0,0]=4 3293 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,1,0,0,1,0|2,0,0]=4 3294 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,1,0,0,1,0|2,0,0]=4 3295 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,1,0,0,1,0|2,0,0]=4 3296 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,1,0,0,1,0|2,0,0]=4 3297 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,1,0,0,1,0|2,0,0]=4 3298 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,1,0,0,1,0|2,0,0]=4 3299 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,1,0,0,1,0|2,0,0]=4 3300 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,1,0,0,1,0|2,0,0]=4 3301 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,1,0,0,1,0|2,0,0]=4 3302 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,1,0,0,1,0|2,0,0]=4 3303 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,1,0,0,1,0|2,0,0]=4 3304 B10R1.113 CN(C)c1cccc(n1)F 27a_100102631434_100009815982 [0,1,0,0,1,0|1,0,0]=3 3305 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [0,1,0,0,1,0|1,0,0]=3 3306 B10R1.113 CN(C)c1ccnc(n1)N 27a_100102631434_100000055538 [0,1,0,0,1,0|2,0,0]=4 3307 B10R1.113 CN(C)c1ccnc(n1)O 271570a_203496583355_100000688391 [0,1,0,0,1,0|2,0,0]=4 3308 B10R1.113 CN(C)c1cncc(n1)Cl 27a_100102631434_100010892449 [0,1,0,0,1,0|2,0,0]=4 3309 B10R1.113 CN(C)c1cncc(n1)F 27a_100102631434_200009863489 [0,1,0,0,1,0|2,0,0]=4 3310 B10R1.113 CN(C)c1cncc(n1)O 271570a_203496583355_100000749133 [0,1,0,0,1,0|2,0,0]=4 3311 B10R1.113 CN(C)c1nccc(n1)N 27a_100102631434_100000757536 [0,1,0,0,1,0|2,0,0]=4 3312 B10R1.113 CN(C)c1nccc(n1)O 271570a_203496583355_100000757975 [0,1,0,0,1,0|2,0,0]=4 3313 B10R1.113 CN(C)c1nccc(n1)O 27a_100102631434_100011649813 [0,1,0,0,1,0|2,0,0]=4 3314 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,1,0,0,1,0|2,0,0]=4 3315 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,1,0,0,1,0|2,0,0]=4 3316 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,1,0,0,1,0|2,0,0]=4 3317 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,1,0,0,1,0|2,0,0]=4 3318 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,1,0,0,1,0|2,0,0]=4 3319 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,1,0,0,1,0|2,0,0]=4 3320 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,1,0,0,1,0|2,0,0]=4 3321 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,1,0,0,1,0|2,0,0]=4 3322 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,1,0,0,1,0|2,0,0]=4 3323 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,1,0,0,1,0|2,0,0]=4 3324 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,1,0,0,1,0|2,0,0]=4 3325 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,1,0,0,1,0|2,0,0]=4 3326 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,1,0,0,1,0|2,0,0]=4 3327 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,1,0,0,1,0|2,0,0]=4 3328 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,1,0,0,1,0|2,0,0]=4 3329 B10R1.113 Cc1cc(ncn1)N(C)C 27a_100102631434_100000744208 [0,1,0,0,1,0|2,0,0]=4 3330 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,1,0,0,1,0|2,0,0]=4 3331 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,1,0,0,1,0|2,0,0]=4 3332 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,1,0,0,1,0|2,0,0]=4 3333 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,1,0,0,1,0|2,0,0]=4 3334 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,1,0,0,1,0|2,0,0]=4 3335 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,1,0,0,1,0|2,0,0]=4 3336 B10R1.113 Cc1ccnc(n1)N(C)C 27a_100102631434_100000750684 [0,1,0,0,1,0|2,0,0]=4 3337 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [0,1,0,0,1,0|2,0,0]=4 3338 B10R1.113 Cc1cnnc(c1)N(C)C 27a_100102631434_100000070100 [0,1,0,0,1,0|2,0,0]=4 3339 B10R1.113 Cc1nccc(n1)N(C)C 27a_100102631434_100000749937 [0,1,0,0,1,0|2,0,0]=4 3340 B10R1.113 Oc1cccc(n1)C(F)F 271570a_203496583355_100010208565 [0,1,0,0,1,0|2,0,0]=4 3341 B10R1.113 Oc1ccnc(c1)C(F)F 271570a_203496583355_100010136062 [0,1,0,0,1,0|2,0,0]=4 3342 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,1,0,0,1,0|2,0,0]=4 3343 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,1,0,0,1,0|2,0,0]=4 3344 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,1,0,0,1,0|2,0,0]=4 3345 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,1,0,0,1,0|2,0,0]=4 3346 B10R1.23 CC(c1cccs1)N(C)C 2230a_100000186410_200000210301 [0,1,0,0,1,0|2,0,0]=4 3347 B10R1.23 CC(c1cccs1)N(C)C 269982a_100000186410_200000210301 [0,1,0,0,1,0|2,0,0]=4 3348 B10R1.23 CC(c1cccs1)N(C)[13CH3] 2230a_100000186410_200025704644 [0,1,0,0,1,0|2,0,0]=4 3349 B10R1.23 CC(c1cccs1)N(C)[13CH3] 269982a_100000186410_200025704644 [0,1,0,0,1,0|2,0,0]=4 3350 B10R1.23 CC(c1nccs1)N(C)C 2230a_103437849288_200000210301 [0,1,0,0,1,0|2,0,0]=4 3351 B10R1.23 CC(c1nccs1)N(C)C 269982a_103437849288_200000210301 [0,1,0,0,1,0|2,0,0]=4 3352 B10R1.23 CC(c1nccs1)N(C)[13CH3] 2230a_103437849288_200025704644 [0,1,0,0,1,0|2,0,0]=4 3353 B10R1.23 CC(c1nccs1)N(C)[13CH3] 269982a_103437849288_200025704644 [0,1,0,0,1,0|2,0,0]=4 3354 B10R1.27 CC(CO)Oc1ccsc1 34a_100000106738_100012180447 [0,1,0,0,1,0|2,0,0]=4 3355 B10R1.27 CC(CO)Oc1ccsc1 7a_100000106738_100012180447 [0,1,0,0,1,0|2,0,0]=4 3356 B10R1.27 CC(CO)Sc1c[nH]cn1 62a_100012180447_100000756875 [0,1,0,0,1,0|2,0,0]=4 3357 B10R1.27 CC(CO)Sc1cc[nH]n1 62a_100012180447_100000062575 [0,1,0,0,1,0|2,0,0]=4 3358 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,1,0,0,1,0|2,0,0]=4 3359 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [0,1,0,0,1,0|2,0,0]=4 3360 B10R1.27 CC(CO)Sc1ccoc1 62a_100012180447_100011215275 [0,1,0,0,1,0|2,0,0]=4 3361 B10R1.27 CC(CO)Sc1ccon1 62a_100012180447_100009818083 [0,1,0,0,1,0|2,0,0]=4 3362 B10R1.27 CC(CO)Sc1ccsc1 62a_100012180447_100000738268 [0,1,0,0,1,0|2,0,0]=4 3363 B10R1.27 CC(CO)Sc1ccsn1 62a_100012180447_100009818082 [0,1,0,0,1,0|2,0,0]=4 3364 B10R1.27 CC(CO)Sc1cscn1 62a_100012180447_100000751502 [0,1,0,0,1,0|2,0,0]=4 3365 B10R1.27 CC(CO)Sc1ncc[nH]1 62a_100012180447_100025796157 [0,1,0,0,1,0|2,0,0]=4 3366 B10R1.27 CC(CO)Sc1ncco1 62a_100012180447_100011787736 [0,1,0,0,1,0|2,0,0]=4 3367 B10R1.27 CC(CO)Sc1nccs1 62a_100012180447_100000211983 [0,1,0,0,1,0|2,0,0]=4 3368 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,1,0,0,1,0|1,0,0]=3 3369 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,1,0,0,1,0|1,0,0]=3 3370 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,1,0,0,1,0|1,0,0]=3 3371 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,1,0,0,1,0|1,0,0]=3 3372 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,1,0,0,1,0|1,0,0]=3 3373 B10R1.27 CC(Cn1cccn1)N[13CH3] 2230a_100000738251_200025704644 [0,1,0,0,1,0|1,0,0]=3 3374 B10R1.27 CC(Cn1cncn1)N[13CH3] 2230a_100011201177_200025704644 [0,1,0,0,1,0|2,0,0]=4 3375 B10R1.27 CCC(C)Oc1ccsc1 34a_100000106738_100011215416 [0,1,0,0,1,0|2,0,0]=4 3376 B10R1.27 CCC(C)Oc1ccsc1 7a_100000106738_100000758301 [0,1,0,0,1,0|2,0,0]=4 3377 B10R1.27 CCC(C)Sc1c[nH]cn1 62a_100000756875_100000758301 [0,1,0,0,1,0|2,0,0]=4 3378 B10R1.27 CCC(C)Sc1c[nH]cn1 62a_100000758301_100000756875 [0,1,0,0,1,0|2,0,0]=4 3379 B10R1.27 CCC(C)Sc1cc[nH]n1 62a_100000062575_100000758301 [0,1,0,0,1,0|2,0,0]=4 3380 B10R1.27 CCC(C)Sc1cc[nH]n1 62a_100000758301_100000062575 [0,1,0,0,1,0|2,0,0]=4 3381 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,1,0,0,1,0|2,0,0]=4 3382 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,1,0,0,1,0|2,0,0]=4 3383 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,1,0,0,1,0|2,0,0]=4 3384 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,1,0,0,1,0|2,0,0]=4 3385 B10R1.27 CCC(C)Sc1ccoc1 62a_100000758301_100011215275 [0,1,0,0,1,0|2,0,0]=4 3386 B10R1.27 CCC(C)Sc1ccoc1 62a_100011215275_100000758301 [0,1,0,0,1,0|2,0,0]=4 3387 B10R1.27 CCC(C)Sc1ccon1 62a_100000758301_100009818083 [0,1,0,0,1,0|2,0,0]=4 3388 B10R1.27 CCC(C)Sc1ccon1 62a_100009818083_100000758301 [0,1,0,0,1,0|2,0,0]=4 3389 B10R1.27 CCC(C)Sc1ccsc1 62a_100000738268_100000758301 [0,1,0,0,1,0|2,0,0]=4 3390 B10R1.27 CCC(C)Sc1ccsc1 62a_100000758301_100000738268 [0,1,0,0,1,0|2,0,0]=4 3391 B10R1.27 CCC(C)Sc1ccsn1 62a_100000758301_100009818082 [0,1,0,0,1,0|2,0,0]=4 3392 B10R1.27 CCC(C)Sc1ccsn1 62a_100009818082_100000758301 [0,1,0,0,1,0|2,0,0]=4 3393 B10R1.27 CCC(C)Sc1cscn1 62a_100000751502_100000758301 [0,1,0,0,1,0|2,0,0]=4 3394 B10R1.27 CCC(C)Sc1cscn1 62a_100000758301_100000751502 [0,1,0,0,1,0|2,0,0]=4 3395 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100000758301_100025796157 [0,1,0,0,1,0|2,0,0]=4 3396 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100025796157_100000758301 [0,1,0,0,1,0|2,0,0]=4 3397 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [0,1,0,0,1,0|2,0,0]=4 3398 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [0,1,0,0,1,0|2,0,0]=4 3399 B10R1.27 CCC(C)Sc1nccs1 62a_100000211983_100000758301 [0,1,0,0,1,0|2,0,0]=4 3400 B10R1.27 CCC(C)Sc1nccs1 62a_100000758301_100000211983 [0,1,0,0,1,0|2,0,0]=4 3401 B10R1.27 CCN(C)Cc1c[nH]cn1 2230a_100000225621_100000707719 [0,1,0,0,1,0|2,0,0]=4 3402 B10R1.27 CCN(C)Cc1c[nH]cn1 269982a_100000225621_100000707719 [0,1,0,0,1,0|2,0,0]=4 3403 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,1,0,0,1,0|2,0,0]=4 3404 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,1,0,0,1,0|2,0,0]=4 3405 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,1,0,0,1,0|2,0,0]=4 3406 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,1,0,0,1,0|2,0,0]=4 3407 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,1,0,0,1,0|2,0,0]=4 3408 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,1,0,0,1,0|2,0,0]=4 3409 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,1,0,0,1,0|2,0,0]=4 3410 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,1,0,0,1,0|2,0,0]=4 3411 B10R1.27 CCN(C)Cc1ccon1 2230a_100000225621_100000234950 [0,1,0,0,1,0|2,0,0]=4 3412 B10R1.27 CCN(C)Cc1ccon1 2230a_100000757864_100000210202 [0,1,0,0,1,0|2,0,0]=4 3413 B10R1.27 CCN(C)Cc1ccon1 269982a_100000225621_100000234950 [0,1,0,0,1,0|2,0,0]=4 3414 B10R1.27 CCN(C)Cc1ccon1 269982a_100000757864_100000204670 [0,1,0,0,1,0|2,0,0]=4 3415 B10R1.27 CCN(C)Cc1ccsc1 2230a_100000225621_100011261437 [0,1,0,0,1,0|2,0,0]=4 3416 B10R1.27 CCN(C)Cc1ccsc1 2230a_100020654213_100000210202 [0,1,0,0,1,0|2,0,0]=4 3417 B10R1.27 CCN(C)Cc1ccsc1 269982a_100000225621_100011233845 [0,1,0,0,1,0|2,0,0]=4 3418 B10R1.27 CCN(C)Cc1ccsc1 269982a_100020654213_100000204670 [0,1,0,0,1,0|2,0,0]=4 3419 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225621_100000205941 [0,1,0,0,1,0|2,0,0]=4 3420 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225794_100000210202 [0,1,0,0,1,0|2,0,0]=4 3421 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225621_100000205941 [0,1,0,0,1,0|2,0,0]=4 3422 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225794_100000204670 [0,1,0,0,1,0|2,0,0]=4 3423 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100000225621_100016991755 [0,1,0,0,1,0|2,0,0]=4 3424 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210202 [0,1,0,0,1,0|2,0,0]=4 3425 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100000225621_100016991755 [0,1,0,0,1,0|2,0,0]=4 3426 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100015184136_100000204670 [0,1,0,0,1,0|2,0,0]=4 3427 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [0,1,0,0,1,0|2,0,0]=4 3428 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [0,1,0,0,1,0|2,0,0]=4 3429 B10R1.27 CCN(C)Cc1nccs1 2230a_100000225621_100015184050 [0,1,0,0,1,0|2,0,0]=4 3430 B10R1.27 CCN(C)Cc1nccs1 2230a_100000765864_100000210202 [0,1,0,0,1,0|2,0,0]=4 3431 B10R1.27 CCN(C)Cc1nccs1 269982a_100000225621_100015184050 [0,1,0,0,1,0|2,0,0]=4 3432 B10R1.27 CCN(C)Cc1nccs1 269982a_100000765864_100000204670 [0,1,0,0,1,0|2,0,0]=4 3433 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,1,0,0,1,0|2,0,0]=4 3434 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,1,0,0,1,0|2,0,0]=4 3435 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,1,0,0,1,0|2,0,0]=4 3436 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,1,0,0,1,0|2,0,0]=4 3437 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [0,1,0,0,1,0|2,0,0]=4 3438 B10R1.27 CN(CF)Cc1cccs1 269982a_100000184426_100015361967 [0,1,0,0,1,0|2,0,0]=4 3439 B10R1.27 CN(CF)Cc1ccon1 269982a_100000757864_100015361967 [0,1,0,0,1,0|2,0,0]=4 3440 B10R1.27 CN(CF)Cc1ccsc1 269982a_100020654213_100015361967 [0,1,0,0,1,0|2,0,0]=4 3441 B10R1.27 CN(CF)Cc1cscn1 269982a_100000225794_100015361967 [0,1,0,0,1,0|2,0,0]=4 3442 B10R1.27 CN(CF)Cc1ncc[nH]1 269982a_100015184136_100015361967 [0,1,0,0,1,0|2,0,0]=4 3443 B10R1.27 CN(CF)Cc1nccs1 269982a_100000765864_100015361967 [0,1,0,0,1,0|2,0,0]=4 3444 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,1,0,0,1,0|1,0,0]=3 3445 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,1,0,0,1,0|1,0,0]=3 3446 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,1,0,0,1,0|1,0,0]=3 3447 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,1,0,0,1,0|1,0,0]=3 3448 B10R1.27 CNC(C)Cn1cccn1 2230a_100000738251_200000210301 [0,1,0,0,1,0|1,0,0]=3 3449 B10R1.27 CNC(C)Cn1cncn1 2230a_100011201177_200000210301 [0,1,0,0,1,0|2,0,0]=4 3450 B10R1.27 CNC(C)Cn1cncn1 270004a_106832991635_100011342613 [0,1,0,0,1,0|2,0,0]=4 3451 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,1,0,0,1,0|1,0,0]=3 3452 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,1,0,0,1,0|1,0,0]=3 3453 B10R1.27 COC(C)Sc1c[nH]cn1 62a_100000756875_100009879195 [0,1,0,0,1,0|2,0,0]=4 3454 B10R1.27 COC(C)Sc1c[nH]cn1 62a_100009879195_100000756875 [0,1,0,0,1,0|2,0,0]=4 3455 B10R1.27 COC(C)Sc1cc[nH]n1 62a_100000062575_100009879195 [0,1,0,0,1,0|2,0,0]=4 3456 B10R1.27 COC(C)Sc1cc[nH]n1 62a_100009879195_100000062575 [0,1,0,0,1,0|2,0,0]=4 3457 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,1,0,0,1,0|2,0,0]=4 3458 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,1,0,0,1,0|2,0,0]=4 3459 B10R1.27 COC(C)Sc1cccs1 62a_100009879195_100011215356 [0,1,0,0,1,0|2,0,0]=4 3460 B10R1.27 COC(C)Sc1cccs1 62a_100011215356_100009879195 [0,1,0,0,1,0|2,0,0]=4 3461 B10R1.27 COC(C)Sc1ccoc1 62a_100009879195_100011215275 [0,1,0,0,1,0|2,0,0]=4 3462 B10R1.27 COC(C)Sc1ccoc1 62a_100011215275_100009879195 [0,1,0,0,1,0|2,0,0]=4 3463 B10R1.27 COC(C)Sc1ccon1 62a_100009818083_100009879195 [0,1,0,0,1,0|2,0,0]=4 3464 B10R1.27 COC(C)Sc1ccon1 62a_100009879195_100009818083 [0,1,0,0,1,0|2,0,0]=4 3465 B10R1.27 COC(C)Sc1ccsc1 62a_100000738268_100009879195 [0,1,0,0,1,0|2,0,0]=4 3466 B10R1.27 COC(C)Sc1ccsc1 62a_100009879195_100000738268 [0,1,0,0,1,0|2,0,0]=4 3467 B10R1.27 COC(C)Sc1ccsn1 62a_100009818082_100009879195 [0,1,0,0,1,0|2,0,0]=4 3468 B10R1.27 COC(C)Sc1ccsn1 62a_100009879195_100009818082 [0,1,0,0,1,0|2,0,0]=4 3469 B10R1.27 COC(C)Sc1cscn1 62a_100000751502_100009879195 [0,1,0,0,1,0|2,0,0]=4 3470 B10R1.27 COC(C)Sc1cscn1 62a_100009879195_100000751502 [0,1,0,0,1,0|2,0,0]=4 3471 B10R1.27 COC(C)Sc1ncc[nH]1 62a_100009879195_100025796157 [0,1,0,0,1,0|2,0,0]=4 3472 B10R1.27 COC(C)Sc1ncc[nH]1 62a_100025796157_100009879195 [0,1,0,0,1,0|2,0,0]=4 3473 B10R1.27 COC(C)Sc1ncco1 62a_100009879195_100011787736 [0,1,0,0,1,0|2,0,0]=4 3474 B10R1.27 COC(C)Sc1ncco1 62a_100011787736_100009879195 [0,1,0,0,1,0|2,0,0]=4 3475 B10R1.27 COC(C)Sc1nccs1 62a_100000211983_100009879195 [0,1,0,0,1,0|2,0,0]=4 3476 B10R1.27 COC(C)Sc1nccs1 62a_100009879195_100000211983 [0,1,0,0,1,0|2,0,0]=4 3477 B10R1.27 C[C@H](CO)Sc1c[nH]cn1 62a_100000756875_100016084084 [0,1,0,0,1,0|2,0,0]=4 3478 B10R1.27 C[C@H](CO)Sc1c[nH]cn1 62a_100016084084_100000756875 [0,1,0,0,1,0|2,0,0]=4 3479 B10R1.27 C[C@H](CO)Sc1cc[nH]n1 62a_100000062575_100016084084 [0,1,0,0,1,0|2,0,0]=4 3480 B10R1.27 C[C@H](CO)Sc1cc[nH]n1 62a_100016084084_100000062575 [0,1,0,0,1,0|2,0,0]=4 3481 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,1,0,0,1,0|2,0,0]=4 3482 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,1,0,0,1,0|2,0,0]=4 3483 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [0,1,0,0,1,0|2,0,0]=4 3484 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [0,1,0,0,1,0|2,0,0]=4 3485 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100011215275_100016084084 [0,1,0,0,1,0|2,0,0]=4 3486 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100016084084_100011215275 [0,1,0,0,1,0|2,0,0]=4 3487 B10R1.27 C[C@H](CO)Sc1ccon1 62a_100009818083_100016084084 [0,1,0,0,1,0|2,0,0]=4 3488 B10R1.27 C[C@H](CO)Sc1ccon1 62a_100016084084_100009818083 [0,1,0,0,1,0|2,0,0]=4 3489 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100000738268_100016084084 [0,1,0,0,1,0|2,0,0]=4 3490 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100016084084_100000738268 [0,1,0,0,1,0|2,0,0]=4 3491 B10R1.27 C[C@H](CO)Sc1ccsn1 62a_100009818082_100016084084 [0,1,0,0,1,0|2,0,0]=4 3492 B10R1.27 C[C@H](CO)Sc1ccsn1 62a_100016084084_100009818082 [0,1,0,0,1,0|2,0,0]=4 3493 B10R1.27 C[C@H](CO)Sc1cscn1 62a_100000751502_100016084084 [0,1,0,0,1,0|2,0,0]=4 3494 B10R1.27 C[C@H](CO)Sc1cscn1 62a_100016084084_100000751502 [0,1,0,0,1,0|2,0,0]=4 3495 B10R1.27 C[C@H](CO)Sc1ncc[nH]1 62a_100016084084_100025796157 [0,1,0,0,1,0|2,0,0]=4 3496 B10R1.27 C[C@H](CO)Sc1ncc[nH]1 62a_100025796157_100016084084 [0,1,0,0,1,0|2,0,0]=4 3497 B10R1.27 C[C@H](CO)Sc1ncco1 62a_100011787736_100016084084 [0,1,0,0,1,0|2,0,0]=4 3498 B10R1.27 C[C@H](CO)Sc1ncco1 62a_100016084084_100011787736 [0,1,0,0,1,0|2,0,0]=4 3499 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100000211983_100016084084 [0,1,0,0,1,0|2,0,0]=4 3500 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100016084084_100000211983 [0,1,0,0,1,0|2,0,0]=4 3501 B10R1.54 CC(C)Cc1cn(nn1)C 274090a_200000210301_100000034111 [0,1,0,0,1,0|2,0,0]=4 3502 B10R1.54 CC(C)Cc1cn(nn1)[13CH3] 274090a_200025704644_100000034111 [0,1,0,0,1,0|2,0,0]=4 3503 B10R1.54 CC(C)Cc1noc(n1)O 270196a_100000210173_100015183105 [0,1,0,0,1,0|2,0,0]=4 3504 B10R1.54 CC(C)Cn1cc(cn1)O 271570a_203496583355_100012073154 [0,1,0,0,1,0|1,0,0]=3 3505 B10R1.54 CC(C)Oc1ccn(n1)C 34a_100012642153_100000210206 [0,1,0,0,1,0|2,0,0]=4 3506 B10R1.54 CC(C)Oc1ncc(s1)O 271570a_203496583355_100010238083 [0,1,0,0,1,0|2,0,0]=4 3507 B10R1.54 CC(C)Sc1cc([nH]n1)N 62a_100000210206_100009822546 [0,1,0,0,1,0|2,0,0]=4 3508 B10R1.54 CC(C)Sc1cc([nH]n1)N 62a_100009822546_100000210206 [0,1,0,0,1,0|2,0,0]=4 3509 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100000210206_100010197418 [0,1,0,0,1,0|2,0,0]=4 3510 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100010197418_100000210206 [0,1,0,0,1,0|2,0,0]=4 3511 B10R1.54 CC(C)Sc1ccn(n1)C 62a_100000210206_100000752436 [0,1,0,0,1,0|2,0,0]=4 3512 B10R1.54 CC(C)Sc1ccn(n1)C 62a_100000752436_100000210206 [0,1,0,0,1,0|2,0,0]=4 3513 B10R1.54 CC(C)Sc1cn(cn1)C 62a_100000040308_100000210206 [0,1,0,0,1,0|2,0,0]=4 3514 B10R1.54 CC(C)Sc1cn(cn1)C 62a_100000210206_100000040308 [0,1,0,0,1,0|2,0,0]=4 3515 B10R1.54 CC(C)Sc1csc(n1)N 62a_100000210206_100011998049 [0,1,0,0,1,0|2,0,0]=4 3516 B10R1.54 CC(C)Sc1csc(n1)N 62a_100011998049_100000210206 [0,1,0,0,1,0|2,0,0]=4 3517 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_100000210206_200016082925 [0,1,0,0,1,0|2,0,0]=4 3518 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_200016082925_100000210206 [0,1,0,0,1,0|2,0,0]=4 3519 B10R1.54 CC(C)Sc1nc(cs1)N 62a_100000210206_200015188442 [0,1,0,0,1,0|2,0,0]=4 3520 B10R1.54 CC(C)Sc1nc(cs1)N 62a_200015188442_100000210206 [0,1,0,0,1,0|2,0,0]=4 3521 B10R1.54 CN(C)Cc1cc(c[nH]1)Br 270004a_100102631434_100000720742 [0,1,0,0,1,0|1,0,1]=4 3522 B10R1.54 CN(C)Cc1cc(co1)Br 270004a_100102631434_100000747035 [0,1,0,0,1,0|2,0,0]=4 3523 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100000207611_200000210301 [0,1,0,0,1,0|2,0,0]=4 3524 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100102631434_100000746031 [0,1,0,0,1,0|2,0,0]=4 3525 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100000207611_200000210301 [0,1,0,0,1,0|2,0,0]=4 3526 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100102631434_100000746031 [0,1,0,0,1,0|2,0,0]=4 3527 B10R1.54 CN(C)Cc1cc(cs1)Br 270004a_100102631434_100000211722 [0,1,0,0,1,0|2,0,0]=4 3528 B10R1.54 CN(C)Cc1cc(cs1)Cl 270004a_100102631434_100000102487 [0,1,0,0,1,0|2,0,0]=4 3529 B10R1.54 CN(C)Cc1ccc(o1)Br 2230a_100000207588_200000210301 [0,1,0,0,1,0|2,0,0]=4 3530 B10R1.54 CN(C)Cc1ccc(o1)Br 269982a_100000207588_200000210301 [0,1,0,0,1,0|2,0,0]=4 3531 B10R1.54 CN(C)Cc1ccc(o1)Br 270004a_100102631434_100000185145 [0,1,0,0,1,0|2,0,0]=4 3532 B10R1.54 CN(C)Cc1ccc(o1)Cl 270004a_100102631434_100000188459 [0,1,0,0,1,0|2,0,0]=4 3533 B10R1.54 CN(C)Cc1ccc(s1)Br 2230a_100102631434_100000708592 [0,1,0,0,1,0|2,0,0]=4 3534 B10R1.54 CN(C)Cc1ccc(s1)Br 269982a_100102631434_100000708592 [0,1,0,0,1,0|2,0,0]=4 3535 B10R1.54 CN(C)Cc1ccc(s1)Br 270004a_100102631434_100000179771 [0,1,0,0,1,0|2,0,0]=4 3536 B10R1.54 CN(C)Cc1ccc(s1)Cl 2230a_100102631434_100000185097 [0,1,0,0,1,0|2,0,0]=4 3537 B10R1.54 CN(C)Cc1ccc(s1)Cl 269982a_100102631434_100000185097 [0,1,0,0,1,0|2,0,0]=4 3538 B10R1.54 CN(C)Cc1ccc(s1)Cl 270004a_100102631434_100000242774 [0,1,0,0,1,0|2,0,0]=4 3539 B10R1.54 CN(C)Cc1ccn(n1)C 2230a_100102631434_100000726502 [0,1,0,0,1,0|2,0,0]=4 3540 B10R1.54 CN(C)Cc1ccn(n1)C 269982a_100102631434_100000726502 [0,1,0,0,1,0|2,0,0]=4 3541 B10R1.54 CN(C)Cc1ccn(n1)C 270004a_100102631434_100000750880 [0,1,0,0,1,0|2,0,0]=4 3542 B10R1.54 CN(C)Cc1cn(cn1)C 2230a_100102631434_100000717665 [0,1,0,0,1,0|2,0,0]=4 3543 B10R1.54 CN(C)Cc1cn(cn1)C 269982a_100102631434_100000717665 [0,1,0,0,1,0|2,0,0]=4 3544 B10R1.54 CN(C)Cc1cn(cn1)C 270004a_100102631434_100000684808 [0,1,0,0,1,0|2,0,0]=4 3545 B10R1.54 CN(C)Cc1csc(c1)Br 270004a_100102631434_100000737087 [0,1,0,0,1,0|2,0,0]=4 3546 B10R1.54 CN(C)Cc1csc(c1)Cl 270004a_100102631434_100009844934 [0,1,0,0,1,0|2,0,0]=4 3547 B10R1.54 CN(C)Cc1csc(n1)Br 270004a_100102631434_100009816748 [0,1,0,0,1,0|2,0,0]=4 3548 B10R1.54 CN(C)Cc1csc(n1)Cl 2230a_100102631434_100000024076 [0,1,0,0,1,0|2,0,0]=4 3549 B10R1.54 CN(C)Cc1csc(n1)Cl 269982a_100102631434_100000024076 [0,1,0,0,1,0|2,0,0]=4 3550 B10R1.54 CN(C)Cc1csc(n1)Cl 270004a_100102631434_100011935135 [0,1,0,0,1,0|2,0,0]=4 3551 B10R1.54 CN(C)Cc1nc(cs1)Br 270004a_100102631434_100009816814 [0,1,0,0,1,0|2,0,0]=4 3552 B10R1.54 CN(C)Cc1ncc(s1)Br 270004a_100102631434_100000699580 [0,1,0,0,1,0|2,0,0]=4 3553 B10R1.54 CN(C)Cc1ncc(s1)Cl 270004a_100102631434_100000699884 [0,1,0,0,1,0|2,0,0]=4 3554 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 2230a_100000207611_200025704644 [0,1,0,0,1,0|2,0,0]=4 3555 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 269982a_100000207611_200025704644 [0,1,0,0,1,0|2,0,0]=4 3556 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 2230a_100000207588_200025704644 [0,1,0,0,1,0|2,0,0]=4 3557 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 269982a_100000207588_200025704644 [0,1,0,0,1,0|2,0,0]=4 3558 B10R1.54 C[C@H](O)Cn1cc(cn1)O 271570a_203496583355_200014136912 [0,1,0,0,1,0|2,0,0]=4 3559 B10R1.54 Cc1c[nH]c(n1)CN(C)C 2230a_100015186541_200000210301 [0,1,0,0,1,0|2,0,0]=4 3560 B10R1.54 Cc1c[nH]c(n1)CN(C)C 270004a_100102631434_100000082322 [0,1,0,0,1,0|2,0,0]=4 3561 B10R1.54 Cc1c[nH]c(n1)CN(C)[13CH3] 2230a_100015186541_200025704644 [0,1,0,0,1,0|2,0,0]=4 3562 B10R1.54 Cc1c[nH]c(n1)SC(C)C 62a_100000210206_100161115468 [0,1,0,0,1,0|2,0,0]=4 3563 B10R1.54 Cc1c[nH]c(n1)SC(C)C 62a_100161115468_100000210206 [0,1,0,0,1,0|2,0,0]=4 3564 B10R1.54 Cc1cc(cs1)CN(C)C 270004a_100102631434_100011998532 [0,1,0,0,1,0|2,0,0]=4 3565 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000210206_100000759034 [0,1,0,0,1,0|2,0,0]=4 3566 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000759034_100000210206 [0,1,0,0,1,0|2,0,0]=4 3567 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100000210206_100009819999 [0,1,0,0,1,0|2,0,0]=4 3568 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100009819999_100000210206 [0,1,0,0,1,0|2,0,0]=4 3569 B10R1.54 Cc1cc(no1)CN(C)C 2230a_100000225746_200000210301 [0,1,0,0,1,0|2,0,0]=4 3570 B10R1.54 Cc1cc(no1)CN(C)C 2230a_100102631434_100000199038 [0,1,0,0,1,0|2,0,0]=4 3571 B10R1.54 Cc1cc(no1)CN(C)C 269982a_100000225746_200000210301 [0,1,0,0,1,0|2,0,0]=4 3572 B10R1.54 Cc1cc(no1)CN(C)C 269982a_100102631434_100000199038 [0,1,0,0,1,0|2,0,0]=4 3573 B10R1.54 Cc1cc(no1)CN(C)C 270004a_100102631434_100011217994 [0,1,0,0,1,0|2,0,0]=4 3574 B10R1.54 Cc1cc(no1)CN(C)[13CH3] 2230a_100000225746_200025704644 [0,1,0,0,1,0|2,0,0]=4 3575 B10R1.54 Cc1cc(no1)CN(C)[13CH3] 269982a_100000225746_200025704644 [0,1,0,0,1,0|2,0,0]=4 3576 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000210206_100000716708 [0,1,0,0,1,0|2,0,0]=4 3577 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000716708_100000210206 [0,1,0,0,1,0|2,0,0]=4 3578 B10R1.54 Cc1cc(ns1)CN(C)C 270004a_100102631434_200000100279 [0,1,0,0,1,0|2,0,0]=4 3579 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 3580 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 3581 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,1,0,0,1,0|2,0,0]=4 3582 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 3583 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 3584 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 3585 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 3586 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,1,0,0,1,0|2,0,0]=4 3587 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,1,0,0,1,0|2,0,0]=4 3588 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,1,0,0,1,0|2,0,0]=4 3589 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,1,0,0,1,0|2,0,0]=4 3590 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,1,0,0,1,0|2,0,0]=4 3591 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000031368_100000210206 [0,1,0,0,1,0|2,0,0]=4 3592 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000210206_100000031368 [0,1,0,0,1,0|2,0,0]=4 3593 B10R1.54 Cc1cn(nn1)CC(C)C 274090a_100000210760_200000242740 [0,1,0,0,1,0|2,0,0]=4 3594 B10R1.54 Cc1cnc(s1)CN(C)C 270004a_100102631434_100011361622 [0,1,0,0,1,0|2,0,0]=4 3595 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000210206_100000690809 [0,1,0,0,1,0|2,0,0]=4 3596 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000690809_100000210206 [0,1,0,0,1,0|2,0,0]=4 3597 B10R1.54 Cc1csc(c1)CN(C)C 2230a_100011502060_200000210301 [0,1,0,0,1,0|2,0,0]=4 3598 B10R1.54 Cc1csc(c1)CN(C)C 269982a_100011502060_200000210301 [0,1,0,0,1,0|2,0,0]=4 3599 B10R1.54 Cc1csc(c1)CN(C)C 270004a_100102631434_100102525248 [0,1,0,0,1,0|2,0,0]=4 3600 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 2230a_100011502060_200025704644 [0,1,0,0,1,0|2,0,0]=4 3601 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 269982a_100011502060_200025704644 [0,1,0,0,1,0|2,0,0]=4 3602 B10R1.54 Cc1csc(c1)SC(C)C 62a_100000210206_100009876951 [0,1,0,0,1,0|2,0,0]=4 3603 B10R1.54 Cc1csc(c1)SC(C)C 62a_100009876951_100000210206 [0,1,0,0,1,0|2,0,0]=4 3604 B10R1.54 Cc1csc(n1)CN(C)C 2230a_100000757614_200000210301 [0,1,0,0,1,0|2,0,0]=4 3605 B10R1.54 Cc1csc(n1)CN(C)C 269982a_100000757614_200000210301 [0,1,0,0,1,0|2,0,0]=4 3606 B10R1.54 Cc1csc(n1)CN(C)C 270004a_100102631434_100000756994 [0,1,0,0,1,0|2,0,0]=4 3607 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 2230a_100000757614_200025704644 [0,1,0,0,1,0|2,0,0]=4 3608 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 269982a_100000757614_200025704644 [0,1,0,0,1,0|2,0,0]=4 3609 B10R1.54 Cc1csc(n1)SC(C)C 62a_100000210206_100011291629 [0,1,0,0,1,0|2,0,0]=4 3610 B10R1.54 Cc1csc(n1)SC(C)C 62a_100011291629_100000210206 [0,1,0,0,1,0|2,0,0]=4 3611 B10R1.54 Cc1nc(c[nH]1)SC(C)C 62a_100000210206_100009814057 [0,1,0,0,1,0|2,0,0]=4 3612 B10R1.54 Cc1nc(c[nH]1)SC(C)C 62a_100009814057_100000210206 [0,1,0,0,1,0|2,0,0]=4 3613 B10R1.54 Cc1nc(co1)CN(C)C 270004a_100102631434_100011361629 [0,1,0,0,1,0|2,0,0]=4 3614 B10R1.54 Cc1nc(cs1)CN(C)C 2230a_100000207643_200000210301 [0,1,0,0,1,0|2,0,0]=4 3615 B10R1.54 Cc1nc(cs1)CN(C)C 2230a_100102631434_100015186478 [0,1,0,0,1,0|2,0,0]=4 3616 B10R1.54 Cc1nc(cs1)CN(C)C 269982a_100000207643_200000210301 [0,1,0,0,1,0|2,0,0]=4 3617 B10R1.54 Cc1nc(cs1)CN(C)C 269982a_100102631434_100015186478 [0,1,0,0,1,0|2,0,0]=4 3618 B10R1.54 Cc1nc(cs1)CN(C)C 270004a_100102631434_100000203724 [0,1,0,0,1,0|2,0,0]=4 3619 B10R1.54 Cc1nc(cs1)CN(C)[13CH3] 2230a_100000207643_200025704644 [0,1,0,0,1,0|2,0,0]=4 3620 B10R1.54 Cc1nc(cs1)CN(C)[13CH3] 269982a_100000207643_200025704644 [0,1,0,0,1,0|2,0,0]=4 3621 B10R1.54 Cc1nc(cs1)SC(C)C 62a_100000210206_100011934587 [0,1,0,0,1,0|2,0,0]=4 3622 B10R1.54 Cc1nc(cs1)SC(C)C 62a_100011934587_100000210206 [0,1,0,0,1,0|2,0,0]=4 3623 B10R1.54 Cc1nc(no1)CC(C)C 270196a_100000210173_100000070787 [0,1,0,0,1,0|2,0,0]=4 3624 B10R1.54 Cc1noc(n1)CC(C)C 270196a_100000212224_100000210554 [0,1,0,0,1,0|2,0,0]=4 3625 B10R1.64 CC(C)Sc1cscc1Br 62a_100000210206_100010143727 [0,1,0,0,1,0|2,0,0]=4 3626 B10R1.64 CC(C)Sc1cscc1Br 62a_100010143727_100000210206 [0,1,0,0,1,0|2,0,0]=4 3627 B10R1.64 CC(C)Sc1n[nH]cc1Br 62a_100000210206_100015839836 [0,1,0,0,1,0|2,0,0]=4 3628 B10R1.64 CC(C)Sc1n[nH]cc1Br 62a_100015839836_100000210206 [0,1,0,0,1,0|2,0,0]=4 3629 B10R1.64 CC(C)Sc1n[nH]cc1N 62a_100000210206_100010894806 [0,1,0,0,1,0|2,0,0]=4 3630 B10R1.64 CC(C)Sc1n[nH]cc1N 62a_100010894806_100000210206 [0,1,0,0,1,0|2,0,0]=4 3631 B10R1.64 CC(C)Sc1nccn1C 62a_100000210206_100000707724 [0,1,0,0,1,0|2,0,0]=4 3632 B10R1.64 CC(C)Sc1nccn1C 62a_100000707724_100000210206 [0,1,0,0,1,0|2,0,0]=4 3633 B10R1.64 CC(C)Sc1sccc1Br 62a_100000210206_100012361411 [0,1,0,0,1,0|2,0,0]=4 3634 B10R1.64 CC(C)Sc1sccc1Br 62a_100012361411_100000210206 [0,1,0,0,1,0|2,0,0]=4 3635 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,1,0,0,1,0|1,0,1]=4 3636 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,1,0,0,1,0|1,0,1]=4 3637 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,1,0,0,1,0|1,0,1]=4 3638 B10R1.64 CN(C)Cc1ccsc1Br 2230a_100009817074_200000210301 [0,1,0,0,1,0|2,0,0]=4 3639 B10R1.64 CN(C)Cc1ccsc1Br 2230a_100102631434_100009814289 [0,1,0,0,1,0|2,0,0]=4 3640 B10R1.64 CN(C)Cc1ccsc1Br 269982a_100009817074_200000210301 [0,1,0,0,1,0|2,0,0]=4 3641 B10R1.64 CN(C)Cc1ccsc1Br 269982a_100102631434_100009814289 [0,1,0,0,1,0|2,0,0]=4 3642 B10R1.64 CN(C)Cc1ccsc1Br 270004a_100102631434_100009816921 [0,1,0,0,1,0|2,0,0]=4 3643 B10R1.64 CN(C)Cc1ccsc1Cl 2230a_100102631434_100010167017 [0,1,0,0,1,0|2,0,0]=4 3644 B10R1.64 CN(C)Cc1ccsc1Cl 269982a_100102631434_100010167017 [0,1,0,0,1,0|2,0,0]=4 3645 B10R1.64 CN(C)Cc1ccsc1Cl 270004a_100102631434_100000089901 [0,1,0,0,1,0|2,0,0]=4 3646 B10R1.64 CN(C)Cc1cscc1Br 2230a_100011935083_200000210301 [0,1,0,0,1,0|2,0,0]=4 3647 B10R1.64 CN(C)Cc1cscc1Br 269982a_100011935083_200000210301 [0,1,0,0,1,0|2,0,0]=4 3648 B10R1.64 CN(C)Cc1cscc1Br 270004a_100102631434_100000685484 [0,1,0,0,1,0|2,0,0]=4 3649 B10R1.64 CN(C)Cc1n[nH]cc1Cl 270004a_100102631434_100000040271 [0,1,0,0,1,0|2,0,0]=4 3650 B10R1.64 CN(C)Cc1nccn1C 2230a_100102631434_100000700302 [0,1,0,0,1,0|2,0,0]=4 3651 B10R1.64 CN(C)Cc1nccn1C 269982a_100102631434_100000700302 [0,1,0,0,1,0|2,0,0]=4 3652 B10R1.64 CN(C)Cc1nccn1C 270004a_100102631434_100000748660 [0,1,0,0,1,0|2,0,0]=4 3653 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,1,0,0,1,0|2,0,0]=4 3654 B10R1.64 CN(C)Cc1sccc1Br 2230a_100000767120_200000210301 [0,1,0,0,1,0|2,0,0]=4 3655 B10R1.64 CN(C)Cc1sccc1Br 269982a_100000767120_200000210301 [0,1,0,0,1,0|2,0,0]=4 3656 B10R1.64 CN(C)Cc1sccc1Br 270004a_100102631434_100000766043 [0,1,0,0,1,0|2,0,0]=4 3657 B10R1.64 CN(C)Cc1sccc1Cl 270004a_100102631434_100000722334 [0,1,0,0,1,0|2,0,0]=4 3658 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,1,0,0,1,0|1,0,1]=4 3659 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,1,0,0,1,0|1,0,1]=4 3660 B10R1.64 CN([13CH3])Cc1ccsc1Br 2230a_100009817074_200025704644 [0,1,0,0,1,0|2,0,0]=4 3661 B10R1.64 CN([13CH3])Cc1ccsc1Br 269982a_100009817074_200025704644 [0,1,0,0,1,0|2,0,0]=4 3662 B10R1.64 CN([13CH3])Cc1cscc1Br 2230a_100011935083_200025704644 [0,1,0,0,1,0|2,0,0]=4 3663 B10R1.64 CN([13CH3])Cc1cscc1Br 269982a_100011935083_200025704644 [0,1,0,0,1,0|2,0,0]=4 3664 B10R1.64 CN([13CH3])Cc1sccc1Br 2230a_100000767120_200025704644 [0,1,0,0,1,0|2,0,0]=4 3665 B10R1.64 CN([13CH3])Cc1sccc1Br 269982a_100000767120_200025704644 [0,1,0,0,1,0|2,0,0]=4 3666 B10R1.64 Cc1[nH]cnc1CN(C)C 2230a_100102631434_100000751220 [0,1,0,0,1,0|2,0,0]=4 3667 B10R1.64 Cc1[nH]cnc1CN(C)C 269982a_100102631434_100000751220 [0,1,0,0,1,0|2,0,0]=4 3668 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100000210206_100010186451 [0,1,0,0,1,0|2,0,0]=4 3669 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100010186451_100000210206 [0,1,0,0,1,0|2,0,0]=4 3670 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100000210206_100009871783 [0,1,0,0,1,0|2,0,0]=4 3671 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100009871783_100000210206 [0,1,0,0,1,0|2,0,0]=4 3672 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,1,0,0,1,0|2,0,0]=4 3673 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,1,0,0,1,0|2,0,0]=4 3674 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,1,0,0,1,0|2,0,0]=4 3675 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,1,0,0,1,0|2,0,0]=4 3676 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,1,0,0,1,0|2,0,0]=4 3677 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,1,0,0,1,0|2,0,0]=4 3678 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,1,0,0,1,0|2,0,0]=4 3679 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,1,0,0,1,0|2,0,0]=4 3680 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,1,0,0,1,0|2,0,0]=4 3681 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,1,0,0,1,0|2,0,0]=4 3682 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [0,1,0,0,1,0|2,0,0]=4 3683 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [0,1,0,0,1,0|2,0,0]=4 3684 B10R1.64 Cc1cscc1SC(C)C 62a_100000210206_100000759966 [0,1,0,0,1,0|2,0,0]=4 3685 B10R1.64 Cc1cscc1SC(C)C 62a_100000759966_100000210206 [0,1,0,0,1,0|2,0,0]=4 3686 B10R1.64 Cc1occc1CN(C)C 2230a_100000745204_200000210301 [0,1,0,0,1,0|2,0,0]=4 3687 B10R1.64 Cc1occc1CN(C)C 269982a_100000745204_200000210301 [0,1,0,0,1,0|2,0,0]=4 3688 B10R1.64 Cc1occc1CN(C)[13CH3] 2230a_100000745204_200025704644 [0,1,0,0,1,0|2,0,0]=4 3689 B10R1.64 Cc1occc1CN(C)[13CH3] 269982a_100000745204_200025704644 [0,1,0,0,1,0|2,0,0]=4 3690 B10R1.64 Cc1ocnc1CN(C)C 2230a_100102631434_200000693990 [0,1,0,0,1,0|2,0,0]=4 3691 B10R1.64 Cc1sccc1SC(C)C 62a_100000210206_100000684487 [0,1,0,0,1,0|2,0,0]=4 3692 B10R1.64 Cc1sccc1SC(C)C 62a_100000684487_100000210206 [0,1,0,0,1,0|2,0,0]=4 3693 B10R1.64 Cc1scnc1SC(C)C 62a_100000210206_100000732656 [0,1,0,0,1,0|2,0,0]=4 3694 B10R1.64 Cc1scnc1SC(C)C 62a_100000732656_100000210206 [0,1,0,0,1,0|2,0,0]=4 3695 B10R1.281 CC(C)(C)Oc1ccsc1 34a_100000106738_100000210625 [0,1,0,0,1,0|2,0,0]=4 3696 B10R1.281 CC(C)(C)Sc1c[nH]cn1 62a_100000211941_100000756875 [0,1,0,0,1,0|2,0,0]=4 3697 B10R1.281 CC(C)(C)Sc1c[nH]cn1 62a_100000756875_100000211941 [0,1,0,0,1,0|2,0,0]=4 3698 B10R1.281 CC(C)(C)Sc1cc[nH]n1 62a_100000062575_100000211941 [0,1,0,0,1,0|2,0,0]=4 3699 B10R1.281 CC(C)(C)Sc1cc[nH]n1 62a_100000211941_100000062575 [0,1,0,0,1,0|2,0,0]=4 3700 B10R1.281 CC(C)(C)Sc1ccco1 62a_100000211941_100009814098 [0,1,0,0,1,0|2,0,0]=4 3701 B10R1.281 CC(C)(C)Sc1ccco1 62a_100009814098_100000211941 [0,1,0,0,1,0|2,0,0]=4 3702 B10R1.281 CC(C)(C)Sc1cccs1 62a_100000211941_100011215356 [0,1,0,0,1,0|2,0,0]=4 3703 B10R1.281 CC(C)(C)Sc1cccs1 62a_100011215356_100000211941 [0,1,0,0,1,0|2,0,0]=4 3704 B10R1.281 CC(C)(C)Sc1ccoc1 62a_100000211941_100011215275 [0,1,0,0,1,0|2,0,0]=4 3705 B10R1.281 CC(C)(C)Sc1ccoc1 62a_100011215275_100000211941 [0,1,0,0,1,0|2,0,0]=4 3706 B10R1.281 CC(C)(C)Sc1ccon1 62a_100000211941_100009818083 [0,1,0,0,1,0|2,0,0]=4 3707 B10R1.281 CC(C)(C)Sc1ccon1 62a_100009818083_100000211941 [0,1,0,0,1,0|2,0,0]=4 3708 B10R1.281 CC(C)(C)Sc1ccsc1 62a_100000211941_100000738268 [0,1,0,0,1,0|2,0,0]=4 3709 B10R1.281 CC(C)(C)Sc1ccsc1 62a_100000738268_100000211941 [0,1,0,0,1,0|2,0,0]=4 3710 B10R1.281 CC(C)(C)Sc1ccsn1 62a_100000211941_100009818082 [0,1,0,0,1,0|2,0,0]=4 3711 B10R1.281 CC(C)(C)Sc1ccsn1 62a_100009818082_100000211941 [0,1,0,0,1,0|2,0,0]=4 3712 B10R1.281 CC(C)(C)Sc1cscn1 62a_100000211941_100000751502 [0,1,0,0,1,0|2,0,0]=4 3713 B10R1.281 CC(C)(C)Sc1cscn1 62a_100000751502_100000211941 [0,1,0,0,1,0|2,0,0]=4 3714 B10R1.281 CC(C)(C)Sc1ncc[nH]1 62a_100000211941_100025796157 [0,1,0,0,1,0|2,0,0]=4 3715 B10R1.281 CC(C)(C)Sc1ncc[nH]1 62a_100025796157_100000211941 [0,1,0,0,1,0|2,0,0]=4 3716 B10R1.281 CC(C)(C)Sc1ncco1 62a_100000211941_100011787736 [0,1,0,0,1,0|2,0,0]=4 3717 B10R1.281 CC(C)(C)Sc1ncco1 62a_100011787736_100000211941 [0,1,0,0,1,0|2,0,0]=4 3718 B10R1.281 CC(C)(C)Sc1nccs1 62a_100000211941_100000211983 [0,1,0,0,1,0|2,0,0]=4 3719 B10R1.281 CC(C)(C)Sc1nccs1 62a_100000211983_100000211941 [0,1,0,0,1,0|2,0,0]=4 3720 B12R1.21 C=C(C)CNc1ccc(cn1)Br 27a_100000765925_100000686858 [0,1,0,0,0,1|0,0,2]=4 3721 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,1,0,0,0,1|0,0,2]=4 3722 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,1,0,0,0,1|0,0,2]=4 3723 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,1,0,0,0,1|0,0,2]=4 3724 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,1,0,0,0,1|0,0,2]=4 3725 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000686858_100000211660 [0,1,0,0,0,1|0,0,2]=4 3726 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000748629_100000686858 [0,1,0,0,0,1|0,0,2]=4 3727 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100000748629_100000754016 [0,1,0,0,0,1|0,0,2]=4 3728 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100011192072_100000211660 [0,1,0,0,0,1|0,0,2]=4 3729 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100000748629_100011356976 [0,1,0,0,0,1|0,0,2]=4 3730 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100011356976_100000211660 [0,1,0,0,0,1|0,0,2]=4 3731 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000744514_100000211660 [0,1,0,0,0,1|0,0,2]=4 3732 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000748629_100000744514 [0,1,0,0,0,1|0,0,2]=4 3733 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000737798_100000211660 [0,1,0,0,0,1|0,0,2]=4 3734 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000748629_100000737798 [0,1,0,0,0,1|0,0,2]=4 3735 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000685995_100000211660 [0,1,0,0,0,1|0,0,2]=4 3736 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000748629_100000744096 [0,1,0,0,0,1|0,0,2]=4 3737 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,1,0,0,0,1|1,0,1]=4 3738 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,1,0,0,0,1|1,0,1]=4 3739 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,1,0,0,0,1|1,0,1]=4 3740 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,1,0,0,0,1|1,0,1]=4 3741 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,1,0,0,0,1|1,0,1]=4 3742 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,1,0,0,0,1|1,0,1]=4 3743 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,1,0,0,0,1|1,0,1]=4 3744 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,1,0,0,0,1|1,0,1]=4 3745 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,1,0,0,0,1|1,0,1]=4 3746 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,1,0,0,0,1|1,0,1]=4 3747 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,1,0,0,0,1|1,0,1]=4 3748 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,1,0,0,0,1|1,0,1]=4 3749 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,1,0,0,0,1|1,0,1]=4 3750 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,1,0,0,0,1|1,0,1]=4 3751 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,1,0,0,0,1|1,0,1]=4 3752 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,1,0,0,0,1|1,0,1]=4 3753 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,1,0,0,0,1|1,0,1]=4 3754 B12R1.21 CC(C)C=Cc1ccc(=O)[nH]n1 271570a_100016257149_100009820020 [0,1,0,0,0,1|1,0,1]=4 3755 B12R1.21 CC(C)C=Cc1ccc(cc1)Br 271570a_100016257149_100000752885 [0,1,0,0,0,1|1,0,1]=4 3756 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [0,1,0,0,0,1|1,0,1]=4 3757 B12R1.21 CC(C)C=Cc1ccc(cc1)F 271570a_100016257149_100000211213 [0,1,0,0,0,1|1,0,1]=4 3758 B12R1.21 CC(C)C=Cc1ccc(cc1)N 271570a_100016257149_100000185761 [0,1,0,0,0,1|1,0,1]=4 3759 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [0,1,0,0,0,1|1,0,1]=4 3760 B12R1.21 CC(C)C=Cc1ccc(cn1)Br 271570a_100016257149_100000686858 [0,1,0,0,0,1|0,0,1]=3 3761 B12R1.21 CC(C)C=Cc1ccc(cn1)Cl 271570a_100016257149_100011356976 [0,1,0,0,0,1|0,0,1]=3 3762 B12R1.21 CC(C)C=Cc1ccc(cn1)F 271570a_100016257149_100000744514 [0,1,0,0,0,1|0,0,1]=3 3763 B12R1.21 CC(C)C=Cc1ccc(cn1)N 271570a_100016257149_100000744251 [0,1,0,0,0,1|0,0,1]=3 3764 B12R1.21 CC(C)C=Cc1ccc(cn1)O 271570a_100016257149_100000685995 [0,1,0,0,0,1|0,0,1]=3 3765 B12R1.21 CC(C)C=Cc1ccc(nn1)N 271570a_100016257149_100009816609 [0,1,0,0,0,1|1,0,1]=4 3766 B12R1.21 CC(C)C=Cc1cnc(cn1)F 271570a_100016257149_100009856528 [0,1,0,0,0,1|1,0,1]=4 3767 B12R1.21 CC(C)C=Cc1cnc(cn1)N 271570a_100016257149_100000761932 [0,1,0,0,0,1|1,0,1]=4 3768 B12R1.21 CC(C)C=Cc1ncc(cn1)Br 271570a_100016257149_100000690281 [0,1,0,0,0,1|1,0,1]=4 3769 B12R1.21 CC(C)C=Cc1ncc(cn1)Cl 271570a_100016257149_100011356929 [0,1,0,0,0,1|1,0,1]=4 3770 B12R1.21 CC(C)C=Cc1ncc(cn1)F 271570a_100016257149_100000685220 [0,1,0,0,0,1|1,0,1]=4 3771 B12R1.21 CC(C)C=Cc1ncc(cn1)N 271570a_100016257149_100000068403 [0,1,0,0,0,1|1,0,1]=4 3772 B12R1.21 CC(C)C=Cc1ncc(cn1)O 271570a_100016257149_100000730009 [0,1,0,0,0,1|1,0,1]=4 3773 B12R1.21 CC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000210760 [0,1,0,0,0,1|1,0,0]=3 3774 B12R1.21 CC(C)CNc1ccc(cc1)Br 34a_100000210018_100000210624 [0,1,0,0,0,1|1,0,0]=3 3775 B12R1.21 CC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000210760 [0,1,0,0,0,1|1,0,0]=3 3776 B12R1.21 CC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000210624 [0,1,0,0,0,1|1,0,0]=3 3777 B12R1.21 CC(C)CNc1ccc(cc1)F 34a_100000185862_100000210624 [0,1,0,0,0,1|1,0,0]=3 3778 B12R1.21 CC(C)CNc1ccc(cc1)I 34a_100000185761_100000210624 [0,1,0,0,0,1|1,0,0]=3 3779 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [0,1,0,0,0,1|1,0,0]=3 3780 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [0,1,0,0,0,1|1,0,0]=3 3781 B12R1.21 CC(C)CNc1ccc(cn1)Br 27a_100000210953_100000686858 [0,1,0,0,0,1|0,0,0]=2 3782 B12R1.21 CC(C)CNc1cnc(cn1)Br 27a_100000210953_100010187541 [0,1,0,0,0,1|1,0,0]=3 3783 B12R1.21 CC(C)CNc1cnc(cn1)F 27a_100000210953_100009856528 [0,1,0,0,0,1|1,0,0]=3 3784 B12R1.21 CC(C)CNc1cnc(nn1)N 27a_100000210953_100000691435 [0,1,0,0,0,1|2,0,0]=4 3785 B12R1.21 CC(C)CNc1ncc(cn1)Br 27a_100000210953_100000690281 [0,1,0,0,0,1|1,0,0]=3 3786 B12R1.21 CC(C)CNc1ncc(cn1)Cl 27a_100000210953_100011356929 [0,1,0,0,0,1|1,0,0]=3 3787 B12R1.21 CC(C)CNc1ncc(cn1)F 27a_100000210953_100000685220 [0,1,0,0,0,1|1,0,0]=3 3788 B12R1.21 CC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000210624 [0,1,0,0,0,1|2,0,0]=4 3789 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,1,0,0,0,1|1,0,0]=3 3790 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,1,0,0,0,1|1,0,0]=3 3791 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,1,0,0,0,1|1,0,0]=3 3792 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,1,0,0,0,1|1,0,0]=3 3793 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,1,0,0,0,1|1,0,0]=3 3794 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,1,0,0,0,1|1,0,0]=3 3795 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,1,0,0,0,1|1,0,0]=3 3796 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,1,0,0,0,1|1,0,0]=3 3797 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,1,0,0,0,1|1,0,0]=3 3798 B12R1.21 CC(C)COc1ccc(cn1)Cl 34a_100011215309_100000210624 [0,1,0,0,0,1|0,0,0]=2 3799 B12R1.21 CC(C)COc1ccc(cn1)F 34a_100000742473_100000210624 [0,1,0,0,0,1|0,0,0]=2 3800 B12R1.21 CC(C)COc1ccc(cn1)N 34a_100000729260_100000210624 [0,1,0,0,0,1|0,0,0]=2 3801 B12R1.21 CC(C)COc1ccc(nc1)Br 34a_100000685995_100000210624 [0,1,0,0,0,1|2,0,0]=4 3802 B12R1.21 CC(C)COc1ccc(nc1)Br 7a_100000685995_100000210760 [0,1,0,0,0,1|2,0,0]=4 3803 B12R1.21 CC(C)COc1ccc(nc1)Cl 34a_100000744096_100000210624 [0,1,0,0,0,1|2,0,0]=4 3804 B12R1.21 CC(C)COc1ccc(nc1)Cl 7a_100000744096_100000210760 [0,1,0,0,0,1|2,0,0]=4 3805 B12R1.21 CC(C)COc1ccc(nc1)F 34a_100000688820_100000210624 [0,1,0,0,0,1|2,0,0]=4 3806 B12R1.21 CC(C)COc1ccc(nc1)F 7a_100000688820_100000210760 [0,1,0,0,0,1|2,0,0]=4 3807 B12R1.21 CC(C)COc1ccc(nc1)I 34a_100000687607_100000210624 [0,1,0,0,0,1|2,0,0]=4 3808 B12R1.21 CC(C)COc1ccc(nc1)I 7a_100000687607_100000210760 [0,1,0,0,0,1|2,0,0]=4 3809 B12R1.21 CC(C)COc1ccc(nc1)N 34a_100015188713_100000210624 [0,1,0,0,0,1|2,0,0]=4 3810 B12R1.21 CC(C)COc1ccc(nc1)N 7a_100015188713_100000210760 [0,1,0,0,0,1|2,0,0]=4 3811 B12R1.21 CC(C)COc1cnc(cn1)Br 34a_100011934580_100000210624 [0,1,0,0,0,1|1,0,0]=3 3812 B12R1.21 CC(C)COc1cnc(cn1)Cl 34a_100015839800_100000210624 [0,1,0,0,0,1|1,0,0]=3 3813 B12R1.21 CC(C)COc1ncc(cn1)F 34a_100011934040_100000210624 [0,1,0,0,0,1|1,0,0]=3 3814 B12R1.21 CC(C)CSc1cc[n+](cc1)[O-] 62a_100000210624_100000039755 [0,1,0,0,0,1|2,0,0]=4 3815 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000210624_100000212171 [0,1,0,0,0,1|2,0,0]=4 3816 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000210760 [0,1,0,0,0,1|2,0,0]=4 3817 B12R1.21 CC(C)CSc1ccc(=O)[nH]n1 62a_100000210624_100009820020 [0,1,0,0,0,1|1,0,0]=3 3818 B12R1.21 CC(C)CSc1ccc(=O)[nH]n1 62a_100009820020_100000210760 [0,1,0,0,0,1|1,0,0]=3 3819 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000210624_100000752885 [0,1,0,0,0,1|1,0,0]=3 3820 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000752885_100000210760 [0,1,0,0,0,1|1,0,0]=3 3821 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000210624_100000755918 [0,1,0,0,0,1|1,0,0]=3 3822 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000210760 [0,1,0,0,0,1|1,0,0]=3 3823 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000210624_100000211213 [0,1,0,0,0,1|1,0,0]=3 3824 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000211213_100000210760 [0,1,0,0,0,1|1,0,0]=3 3825 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000185761_100000210760 [0,1,0,0,0,1|1,0,0]=3 3826 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000210624_100000185761 [0,1,0,0,0,1|1,0,0]=3 3827 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [0,1,0,0,0,1|1,0,0]=3 3828 B12R1.21 CC(C)CSc1ccc(cn1)Br 62a_100000210624_100000686858 [0,1,0,0,0,1|0,0,0]=2 3829 B12R1.21 CC(C)CSc1ccc(cn1)Br 62a_100000686858_100000210760 [0,1,0,0,0,1|0,0,0]=2 3830 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100000210624_100011356976 [0,1,0,0,0,1|0,0,0]=2 3831 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000210760 [0,1,0,0,0,1|0,0,0]=2 3832 B12R1.21 CC(C)CSc1ccc(cn1)F 62a_100000210624_100000744514 [0,1,0,0,0,1|0,0,0]=2 3833 B12R1.21 CC(C)CSc1ccc(cn1)F 62a_100000744514_100000210760 [0,1,0,0,0,1|0,0,0]=2 3834 B12R1.21 CC(C)CSc1ccc(cn1)N 62a_100000210624_100000737798 [0,1,0,0,0,1|0,0,0]=2 3835 B12R1.21 CC(C)CSc1ccc(cn1)N 62a_100000737798_100000210760 [0,1,0,0,0,1|0,0,0]=2 3836 B12R1.21 CC(C)CSc1ccc(cn1)O 62a_100000210624_100000744096 [0,1,0,0,0,1|0,0,0]=2 3837 B12R1.21 CC(C)CSc1ccc(cn1)O 62a_100000685995_100000210760 [0,1,0,0,0,1|0,0,0]=2 3838 B12R1.21 CC(C)CSc1ccc(nc1)Br 62a_100000210624_100009814638 [0,1,0,0,0,1|2,0,0]=4 3839 B12R1.21 CC(C)CSc1ccc(nc1)Br 62a_100009814638_100000210760 [0,1,0,0,0,1|2,0,0]=4 3840 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000034144_100000210760 [0,1,0,0,0,1|2,0,0]=4 3841 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000210624_100000034144 [0,1,0,0,0,1|2,0,0]=4 3842 B12R1.21 CC(C)CSc1ccc(nc1)F 62a_100000042367_100000210760 [0,1,0,0,0,1|2,0,0]=4 3843 B12R1.21 CC(C)CSc1ccc(nc1)F 62a_100000210624_100000042367 [0,1,0,0,0,1|2,0,0]=4 3844 B12R1.21 CC(C)CSc1ccc(nc1)N 62a_100000187370_100000210760 [0,1,0,0,0,1|2,0,0]=4 3845 B12R1.21 CC(C)CSc1ccc(nc1)N 62a_100000210624_100000187370 [0,1,0,0,0,1|2,0,0]=4 3846 B12R1.21 CC(C)CSc1ccc(nn1)Cl 62a_100000068654_100000210760 [0,1,0,0,0,1|1,0,0]=3 3847 B12R1.21 CC(C)CSc1ccc(nn1)Cl 62a_100000210624_100000068654 [0,1,0,0,0,1|1,0,0]=3 3848 B12R1.21 CC(C)CSc1ccc(nn1)N 62a_100000210624_100010219413 [0,1,0,0,0,1|1,0,0]=3 3849 B12R1.21 CC(C)CSc1ccc(nn1)N 62a_100010219413_100000210760 [0,1,0,0,0,1|1,0,0]=3 3850 B12R1.21 CC(C)CSc1cnc(cn1)Br 62a_100000210624_100010187541 [0,1,0,0,0,1|1,0,0]=3 3851 B12R1.21 CC(C)CSc1cnc(cn1)Br 62a_100010187541_100000210760 [0,1,0,0,0,1|1,0,0]=3 3852 B12R1.21 CC(C)CSc1cnc(cn1)Cl 62a_100000210624_100010214907 [0,1,0,0,0,1|1,0,0]=3 3853 B12R1.21 CC(C)CSc1cnc(cn1)Cl 62a_100010214907_100000210760 [0,1,0,0,0,1|1,0,0]=3 3854 B12R1.21 CC(C)CSc1cnc(cn1)F 62a_100000210624_100009856528 [0,1,0,0,0,1|1,0,0]=3 3855 B12R1.21 CC(C)CSc1cnc(cn1)F 62a_100009856528_100000210760 [0,1,0,0,0,1|1,0,0]=3 3856 B12R1.21 CC(C)CSc1cnc(cn1)N 62a_100000210624_100000744751 [0,1,0,0,0,1|1,0,0]=3 3857 B12R1.21 CC(C)CSc1cnc(cn1)N 62a_100000744751_100000210760 [0,1,0,0,0,1|1,0,0]=3 3858 B12R1.21 CC(C)CSc1cnc(cn1)O 62a_100000210624_100015839800 [0,1,0,0,0,1|1,0,0]=3 3859 B12R1.21 CC(C)CSc1cnc(cn1)O 62a_100011934580_100000210760 [0,1,0,0,0,1|1,0,0]=3 3860 B12R1.21 CC(C)CSc1cnc(nn1)N 62a_100000210624_100000691435 [0,1,0,0,0,1|2,0,0]=4 3861 B12R1.21 CC(C)CSc1cnc(nn1)N 62a_100000691435_100000210760 [0,1,0,0,0,1|2,0,0]=4 3862 B12R1.21 CC(C)CSc1ncc(cn1)Br 62a_100000210624_100000690281 [0,1,0,0,0,1|1,0,0]=3 3863 B12R1.21 CC(C)CSc1ncc(cn1)Br 62a_100000690281_100000210760 [0,1,0,0,0,1|1,0,0]=3 3864 B12R1.21 CC(C)CSc1ncc(cn1)Cl 62a_100000210624_100011356929 [0,1,0,0,0,1|1,0,0]=3 3865 B12R1.21 CC(C)CSc1ncc(cn1)Cl 62a_100011356929_100000210760 [0,1,0,0,0,1|1,0,0]=3 3866 B12R1.21 CC(C)CSc1ncc(cn1)F 62a_100000210624_100000685220 [0,1,0,0,0,1|1,0,0]=3 3867 B12R1.21 CC(C)CSc1ncc(cn1)F 62a_100000685220_100000210760 [0,1,0,0,0,1|1,0,0]=3 3868 B12R1.21 CC(C)CSc1ncc(cn1)N 62a_100000068403_100000210760 [0,1,0,0,0,1|1,0,0]=3 3869 B12R1.21 CC(C)CSc1ncc(cn1)N 62a_100000210624_100000068403 [0,1,0,0,0,1|1,0,0]=3 3870 B12R1.21 CC(C)CSc1ncc(cn1)O 271570a_203496583355_200011939541 [0,1,0,0,0,1|1,0,0]=3 3871 B12R1.21 CC(C)CSc1ncc(cn1)O 62a_100000210624_100000092845 [0,1,0,0,0,1|1,0,0]=3 3872 B12R1.21 CC(C)CSc1ncc(cn1)O 62a_100000730009_100000210760 [0,1,0,0,0,1|1,0,0]=3 3873 B12R1.21 CC(C)NCc1ccc(=O)[nH]n1 207a_100138425928_100011361533 [0,1,0,0,0,1|1,0,0]=3 3874 B12R1.21 CC(C)NCc1ccc(cc1)Br 207a_100138425928_100000186029 [0,1,0,0,0,1|1,0,0]=3 3875 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000210206 [0,1,0,0,0,1|1,0,0]=3 3876 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100138425928_100011217064 [0,1,0,0,0,1|1,0,0]=3 3877 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100000174875_100000210206 [0,1,0,0,0,1|1,0,0]=3 3878 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100138425928_100000189115 [0,1,0,0,0,1|1,0,0]=3 3879 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [0,1,0,0,0,1|1,0,0]=3 3880 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [0,1,0,0,0,1|1,0,0]=3 3881 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [0,1,0,0,0,1|1,0,0]=3 3882 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [0,1,0,0,0,1|1,0,0]=3 3883 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [0,1,0,0,0,1|1,0,0]=3 3884 B12R1.21 CC(C)NCc1ccc(cc1)F 207a_100138425928_100000210084 [0,1,0,0,0,1|1,0,0]=3 3885 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100000174882_100000210206 [0,1,0,0,0,1|1,0,0]=3 3886 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100138425928_100000198546 [0,1,0,0,0,1|1,0,0]=3 3887 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100000174882_100000210206 [0,1,0,0,0,1|1,0,0]=3 3888 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100138425928_100000198546 [0,1,0,0,0,1|1,0,0]=3 3889 B12R1.21 CC(C)NCc1ccc(cc1)I 207a_100138425928_100000188517 [0,1,0,0,0,1|1,0,0]=3 3890 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100016989417_100000210206 [0,1,0,0,0,1|1,0,0]=3 3891 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100138425928_100000189116 [0,1,0,0,0,1|1,0,0]=3 3892 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100016989417_100000210206 [0,1,0,0,0,1|1,0,0]=3 3893 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100138425928_100000189116 [0,1,0,0,0,1|1,0,0]=3 3894 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [0,1,0,0,0,1|1,0,0]=3 3895 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [0,1,0,0,0,1|1,0,0]=3 3896 B12R1.21 CC(C)NCc1ccc(cn1)Br 207a_100138425928_100000754260 [0,1,0,0,0,1|0,0,0]=2 3897 B12R1.21 CC(C)NCc1ccc(cn1)Br 2230a_100138425928_100000702658 [0,1,0,0,0,1|0,0,0]=2 3898 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100015188789_100000210206 [0,1,0,0,0,1|0,0,0]=2 3899 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100138425928_100000702658 [0,1,0,0,0,1|0,0,0]=2 3900 B12R1.21 CC(C)NCc1ccc(cn1)Cl 207a_100138425928_100011361569 [0,1,0,0,0,1|0,0,0]=2 3901 B12R1.21 CC(C)NCc1ccc(cn1)Cl 2230a_100138425928_100012066911 [0,1,0,0,0,1|0,0,0]=2 3902 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100000697193_100000210206 [0,1,0,0,0,1|0,0,0]=2 3903 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100138425928_100012066911 [0,1,0,0,0,1|0,0,0]=2 3904 B12R1.21 CC(C)NCc1ccc(cn1)F 207a_100138425928_100011934744 [0,1,0,0,0,1|0,0,0]=2 3905 B12R1.21 CC(C)NCc1ccc(cn1)F 2230a_100138425928_100000703193 [0,1,0,0,0,1|0,0,0]=2 3906 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100020620131_100000210206 [0,1,0,0,0,1|0,0,0]=2 3907 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100138425928_100000703193 [0,1,0,0,0,1|0,0,0]=2 3908 B12R1.21 CC(C)NCc1ccc(nc1)Br 2230a_100009817727_100000210206 [0,1,0,0,0,1|2,0,0]=4 3909 B12R1.21 CC(C)NCc1ccc(nc1)Br 2230a_100138425928_100009831999 [0,1,0,0,0,1|2,0,0]=4 3910 B12R1.21 CC(C)NCc1ccc(nc1)Br 34a_100009817727_100000210206 [0,1,0,0,0,1|2,0,0]=4 3911 B12R1.21 CC(C)NCc1ccc(nc1)Br 34a_100138425928_100009831999 [0,1,0,0,0,1|2,0,0]=4 3912 B12R1.21 CC(C)NCc1ccc(nc1)Cl 2230a_100000735879_100000210206 [0,1,0,0,0,1|2,0,0]=4 3913 B12R1.21 CC(C)NCc1ccc(nc1)Cl 2230a_100138425928_100000735431 [0,1,0,0,0,1|2,0,0]=4 3914 B12R1.21 CC(C)NCc1ccc(nc1)Cl 34a_100000735879_100000210206 [0,1,0,0,0,1|2,0,0]=4 3915 B12R1.21 CC(C)NCc1ccc(nc1)Cl 34a_100138425928_100000735431 [0,1,0,0,0,1|2,0,0]=4 3916 B12R1.21 CC(C)NCc1ccc(nc1)F 2230a_100000101913_100000210206 [0,1,0,0,0,1|2,0,0]=4 3917 B12R1.21 CC(C)NCc1ccc(nc1)F 2230a_100138425928_100009820150 [0,1,0,0,0,1|2,0,0]=4 3918 B12R1.21 CC(C)NCc1ccc(nc1)F 34a_100000101913_100000210206 [0,1,0,0,0,1|2,0,0]=4 3919 B12R1.21 CC(C)NCc1ccc(nc1)F 34a_100138425928_100000099788 [0,1,0,0,0,1|2,0,0]=4 3920 B12R1.21 CC(C)NCc1ccc(nc1)O 207a_100138425928_100011361521 [0,1,0,0,0,1|2,0,0]=4 3921 B12R1.21 CC(C)NCc1ccc(nc1)O 2230a_100000757128_100000210206 [0,1,0,0,0,1|2,0,0]=4 3922 B12R1.21 CC(C)NCc1ccc(nc1)O 271570a_203496583355_100016992178 [0,1,0,0,0,1|2,0,0]=4 3923 B12R1.21 CC(C)NCc1ccc(nn1)Cl 2230a_100138425928_100016992710 [0,1,0,0,0,1|1,0,0]=3 3924 B12R1.21 CC(C)NCc1ccc(nn1)Cl 34a_100138425928_100016992710 [0,1,0,0,0,1|1,0,0]=3 3925 B12R1.21 CC(C)NCc1ncc(cn1)Br 34a_100138425928_100010064664 [0,1,0,0,0,1|1,0,0]=3 3926 B12R1.21 CC(C)OCc1cc[n+](cc1)C 34a_100009831711_100000210206 [0,1,0,0,0,1|2,0,0]=4 3927 B12R1.21 CC(C)OCc1cc[n+](cc1)[O-] 34a_100000031831_100000210206 [0,1,0,0,0,1|2,0,0]=4 3928 B12R1.21 CC(C)OCc1cc[n+](cc1)[O-] 7a_100000031831_100000210206 [0,1,0,0,0,1|2,0,0]=4 3929 B12R1.21 CC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_100000210206 [0,1,0,0,0,1|2,0,0]=4 3930 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000212225_100000189115 [0,1,0,0,0,1|1,0,0]=3 3931 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000695286_100000210206 [0,1,0,0,0,1|1,0,0]=3 3932 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [0,1,0,0,0,1|1,0,0]=3 3933 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [0,1,0,0,0,1|1,0,0]=3 3934 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [0,1,0,0,0,1|1,0,0]=3 3935 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000210977_100000210206 [0,1,0,0,0,1|1,0,0]=3 3936 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000212225_100000198546 [0,1,0,0,0,1|1,0,0]=3 3937 B12R1.21 CC(C)OCc1ccc(cc1)F 7a_100000210977_100000210206 [0,1,0,0,0,1|1,0,0]=3 3938 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000212225_100000189116 [0,1,0,0,0,1|1,0,0]=3 3939 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000690907_100000210206 [0,1,0,0,0,1|1,0,0]=3 3940 B12R1.21 CC(C)OCc1ccc(cc1)I 7a_100000690907_100000210206 [0,1,0,0,0,1|1,0,0]=3 3941 B12R1.21 CC(C)OCc1ccc(cc1)N 34a_100011215238_100000210206 [0,1,0,0,0,1|1,0,0]=3 3942 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [0,1,0,0,0,1|1,0,0]=3 3943 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000212225_100000702658 [0,1,0,0,0,1|0,0,0]=2 3944 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000754261_100000210206 [0,1,0,0,0,1|0,0,0]=2 3945 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000212225_100012066911 [0,1,0,0,0,1|0,0,0]=2 3946 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000703999_100000210206 [0,1,0,0,0,1|0,0,0]=2 3947 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100000212225_100000703193 [0,1,0,0,0,1|0,0,0]=2 3948 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100011999454_100000210206 [0,1,0,0,0,1|0,0,0]=2 3949 B12R1.21 CC(C)OCc1ccc(cn1)N 34a_100011998161_100000210206 [0,1,0,0,0,1|0,0,0]=2 3950 B12R1.21 CC(C)OCc1ccc(nc1)Br 34a_100000212225_100009831999 [0,1,0,0,0,1|2,0,0]=4 3951 B12R1.21 CC(C)OCc1ccc(nc1)Br 34a_100009816760_100000210206 [0,1,0,0,0,1|2,0,0]=4 3952 B12R1.21 CC(C)OCc1ccc(nc1)Br 7a_100009816760_100000210206 [0,1,0,0,0,1|2,0,0]=4 3953 B12R1.21 CC(C)OCc1ccc(nc1)Cl 34a_100000212225_100000735431 [0,1,0,0,0,1|2,0,0]=4 3954 B12R1.21 CC(C)OCc1ccc(nc1)Cl 34a_100000755211_100000210206 [0,1,0,0,0,1|2,0,0]=4 3955 B12R1.21 CC(C)OCc1ccc(nc1)Cl 7a_100000755211_100000210206 [0,1,0,0,0,1|2,0,0]=4 3956 B12R1.21 CC(C)OCc1ccc(nc1)F 34a_100000079959_100000210206 [0,1,0,0,0,1|2,0,0]=4 3957 B12R1.21 CC(C)OCc1ccc(nc1)F 34a_100000212225_100000099788 [0,1,0,0,0,1|2,0,0]=4 3958 B12R1.21 CC(C)OCc1ccc(nc1)N 34a_100000704267_100000210206 [0,1,0,0,0,1|2,0,0]=4 3959 B12R1.21 CC(C)OCc1ccc(nn1)Cl 34a_100000212225_100016992710 [0,1,0,0,0,1|1,0,0]=3 3960 B12R1.21 CC(C)OCc1cnc(cn1)Cl 34a_100012002382_100000210206 [0,1,0,0,0,1|1,0,0]=3 3961 B12R1.21 CC(C)OCc1ncc(cn1)Br 34a_100000212225_100010064664 [0,1,0,0,0,1|1,0,0]=3 3962 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000189115_100000210206 [0,1,0,0,0,1|1,0,0]=3 3963 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000210206_100000189115 [0,1,0,0,0,1|1,0,0]=3 3964 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000210206 [0,1,0,0,0,1|1,0,0]=3 3965 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000210206_100000187161 [0,1,0,0,0,1|1,0,0]=3 3966 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000198546_100000210206 [0,1,0,0,0,1|1,0,0]=3 3967 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000210206_100000187164 [0,1,0,0,0,1|1,0,0]=3 3968 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000189116_100000210206 [0,1,0,0,0,1|1,0,0]=3 3969 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000210206_100000189116 [0,1,0,0,0,1|1,0,0]=3 3970 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [0,1,0,0,0,1|1,0,0]=3 3971 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000210206_100000702658 [0,1,0,0,0,1|0,0,0]=2 3972 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000702658_100000210206 [0,1,0,0,0,1|0,0,0]=2 3973 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100000210206_100000697101 [0,1,0,0,0,1|0,0,0]=2 3974 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100012066911_100000210206 [0,1,0,0,0,1|0,0,0]=2 3975 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000210206_100000703193 [0,1,0,0,0,1|0,0,0]=2 3976 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000703193_100000210206 [0,1,0,0,0,1|0,0,0]=2 3977 B12R1.21 CC(C)SCc1ccc(nc1)Br 62a_100000210206_100009831999 [0,1,0,0,0,1|2,0,0]=4 3978 B12R1.21 CC(C)SCc1ccc(nc1)Br 62a_100009831999_100000210206 [0,1,0,0,0,1|2,0,0]=4 3979 B12R1.21 CC(C)SCc1ccc(nc1)Cl 62a_100000210206_100000735431 [0,1,0,0,0,1|2,0,0]=4 3980 B12R1.21 CC(C)SCc1ccc(nc1)Cl 62a_100000735431_100000210206 [0,1,0,0,0,1|2,0,0]=4 3981 B12R1.21 CC(C)SCc1ccc(nc1)F 62a_100000210206_100000099788 [0,1,0,0,0,1|2,0,0]=4 3982 B12R1.21 CC(C)SCc1ccc(nc1)F 62a_100009820150_100000210206 [0,1,0,0,0,1|2,0,0]=4 3983 B12R1.21 CC(C)SCc1ccc(nn1)Cl 62a_100000210206_100016992710 [0,1,0,0,0,1|1,0,0]=3 3984 B12R1.21 CC(C)SCc1ccc(nn1)Cl 62a_100016992710_100000210206 [0,1,0,0,0,1|1,0,0]=3 3985 B12R1.21 CC(C)SCc1ncc(cn1)Br 62a_100000210206_100010064664 [0,1,0,0,0,1|1,0,0]=3 3986 B12R1.21 CC(C)SCc1ncc(cn1)Br 62a_100010064664_100000210206 [0,1,0,0,0,1|1,0,0]=3 3987 B12R1.21 CC(O)C=Cc1ccc(cn1)Br 271570a_200011019289_100000686858 [0,1,0,0,0,1|1,0,1]=4 3988 B12R1.21 CC(O)C=Cc1ccc(cn1)Cl 271570a_200011019289_100011356976 [0,1,0,0,0,1|1,0,1]=4 3989 B12R1.21 CC(O)C=Cc1ccc(cn1)F 271570a_200011019289_100000744514 [0,1,0,0,0,1|1,0,1]=4 3990 B12R1.21 CC(O)C=Cc1ccc(cn1)N 271570a_200011019289_100000744251 [0,1,0,0,0,1|1,0,1]=4 3991 B12R1.21 CC(O)C=Cc1ccc(cn1)O 271570a_200011019289_100000685995 [0,1,0,0,0,1|1,0,1]=4 3992 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,1,0,0,0,1|2,0,0]=4 3993 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,1,0,0,0,1|2,0,0]=4 3994 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,1,0,0,0,1|2,0,0]=4 3995 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,1,0,0,0,1|2,0,0]=4 3996 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,1,0,0,0,1|2,0,0]=4 3997 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,1,0,0,0,1|2,0,0]=4 3998 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,1,0,0,0,1|2,0,0]=4 3999 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [0,1,0,0,0,1|1,0,0]=3 4000 B12R1.21 CC(O)CNc1cnc(cn1)Br 27a_100000210904_100010187541 [0,1,0,0,0,1|2,0,0]=4 4001 B12R1.21 CC(O)CNc1cnc(cn1)F 27a_100000210904_100009856528 [0,1,0,0,0,1|2,0,0]=4 4002 B12R1.21 CC(O)CNc1ncc(cn1)Br 27a_100000210904_100000690281 [0,1,0,0,0,1|2,0,0]=4 4003 B12R1.21 CC(O)CNc1ncc(cn1)Cl 27a_100000210904_100011356929 [0,1,0,0,0,1|2,0,0]=4 4004 B12R1.21 CC(O)CNc1ncc(cn1)F 27a_100000210904_100000685220 [0,1,0,0,0,1|2,0,0]=4 4005 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,1,0,0,0,1|2,0,0]=4 4006 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,1,0,0,0,1|2,0,0]=4 4007 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,1,0,0,0,1|2,0,0]=4 4008 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,1,0,0,0,1|2,0,0]=4 4009 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,1,0,0,0,1|2,0,0]=4 4010 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,1,0,0,0,1|2,0,0]=4 4011 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,1,0,0,0,1|2,0,0]=4 4012 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,1,0,0,0,1|2,0,0]=4 4013 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,1,0,0,0,1|1,0,0]=3 4014 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,1,0,0,0,1|1,0,0]=3 4015 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,1,0,0,0,1|1,0,0]=3 4016 B12R1.21 CC(O)COc1cnc(cn1)Br 34a_100011934580_100011218427 [0,1,0,0,0,1|2,0,0]=4 4017 B12R1.21 CC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218427 [0,1,0,0,0,1|2,0,0]=4 4018 B12R1.21 CC(O)COc1ncc(cn1)F 34a_100011934040_100011218427 [0,1,0,0,0,1|2,0,0]=4 4019 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100009820020_100011218427 [0,1,0,0,0,1|2,0,0]=4 4020 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100011218427_100009820020 [0,1,0,0,0,1|2,0,0]=4 4021 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,1,0,0,0,1|2,0,0]=4 4022 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,1,0,0,0,1|2,0,0]=4 4023 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,1,0,0,0,1|2,0,0]=4 4024 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,1,0,0,0,1|2,0,0]=4 4025 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,1,0,0,0,1|2,0,0]=4 4026 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,1,0,0,0,1|2,0,0]=4 4027 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,1,0,0,0,1|2,0,0]=4 4028 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,1,0,0,0,1|2,0,0]=4 4029 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,1,0,0,0,1|2,0,0]=4 4030 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [0,1,0,0,0,1|1,0,0]=3 4031 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [0,1,0,0,0,1|1,0,0]=3 4032 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [0,1,0,0,0,1|1,0,0]=3 4033 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [0,1,0,0,0,1|1,0,0]=3 4034 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [0,1,0,0,0,1|1,0,0]=3 4035 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [0,1,0,0,0,1|1,0,0]=3 4036 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [0,1,0,0,0,1|1,0,0]=3 4037 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [0,1,0,0,0,1|1,0,0]=3 4038 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,1,0,0,0,1|1,0,0]=3 4039 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,1,0,0,0,1|1,0,0]=3 4040 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011218427 [0,1,0,0,0,1|2,0,0]=4 4041 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100011218427_100000068654 [0,1,0,0,0,1|2,0,0]=4 4042 B12R1.21 CC(O)CSc1ccc(nn1)N 62a_100010219413_100011218427 [0,1,0,0,0,1|2,0,0]=4 4043 B12R1.21 CC(O)CSc1ccc(nn1)N 62a_100011218427_100010219413 [0,1,0,0,0,1|2,0,0]=4 4044 B12R1.21 CC(O)CSc1cnc(cn1)Br 62a_100010187541_100011218427 [0,1,0,0,0,1|2,0,0]=4 4045 B12R1.21 CC(O)CSc1cnc(cn1)Br 62a_100011218427_100010187541 [0,1,0,0,0,1|2,0,0]=4 4046 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011218427 [0,1,0,0,0,1|2,0,0]=4 4047 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100011218427_100010214907 [0,1,0,0,0,1|2,0,0]=4 4048 B12R1.21 CC(O)CSc1cnc(cn1)F 62a_100009856528_100011218427 [0,1,0,0,0,1|2,0,0]=4 4049 B12R1.21 CC(O)CSc1cnc(cn1)F 62a_100011218427_100009856528 [0,1,0,0,0,1|2,0,0]=4 4050 B12R1.21 CC(O)CSc1cnc(cn1)N 62a_100000744751_100011218427 [0,1,0,0,0,1|2,0,0]=4 4051 B12R1.21 CC(O)CSc1cnc(cn1)N 62a_100011218427_100000744751 [0,1,0,0,0,1|2,0,0]=4 4052 B12R1.21 CC(O)CSc1cnc(cn1)O 62a_100011218427_100015839800 [0,1,0,0,0,1|2,0,0]=4 4053 B12R1.21 CC(O)CSc1cnc(cn1)O 62a_100011934580_100011218427 [0,1,0,0,0,1|2,0,0]=4 4054 B12R1.21 CC(O)CSc1ncc(cn1)Br 62a_100000690281_100011218427 [0,1,0,0,0,1|2,0,0]=4 4055 B12R1.21 CC(O)CSc1ncc(cn1)Br 62a_100011218427_100000690281 [0,1,0,0,0,1|2,0,0]=4 4056 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011218427_100011356929 [0,1,0,0,0,1|2,0,0]=4 4057 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011218427 [0,1,0,0,0,1|2,0,0]=4 4058 B12R1.21 CC(O)CSc1ncc(cn1)F 62a_100000685220_100011218427 [0,1,0,0,0,1|2,0,0]=4 4059 B12R1.21 CC(O)CSc1ncc(cn1)F 62a_100011218427_100000685220 [0,1,0,0,0,1|2,0,0]=4 4060 B12R1.21 CC(O)CSc1ncc(cn1)N 62a_100000068403_100011218427 [0,1,0,0,0,1|2,0,0]=4 4061 B12R1.21 CC(O)CSc1ncc(cn1)N 62a_100011218427_100000068403 [0,1,0,0,0,1|2,0,0]=4 4062 B12R1.21 CC(O)CSc1ncc(cn1)O 62a_100000730009_100011218427 [0,1,0,0,0,1|2,0,0]=4 4063 B12R1.21 CC(O)CSc1ncc(cn1)O 62a_100011218427_100000092845 [0,1,0,0,0,1|2,0,0]=4 4064 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100000752880_200000210301 [0,1,0,0,0,1|2,0,0]=4 4065 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100102631434_100011740612 [0,1,0,0,0,1|2,0,0]=4 4066 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100000752880_200000210301 [0,1,0,0,0,1|2,0,0]=4 4067 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100102631434_100011740612 [0,1,0,0,0,1|2,0,0]=4 4068 B12R1.21 CN(C)CCc1ccc(cc1)Br 34a_100000752880_200000210301 [0,1,0,0,0,1|2,0,0]=4 4069 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [0,1,0,0,0,1|2,0,0]=4 4070 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [0,1,0,0,0,1|2,0,0]=4 4071 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [0,1,0,0,0,1|2,0,0]=4 4072 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [0,1,0,0,0,1|2,0,0]=4 4073 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [0,1,0,0,0,1|2,0,0]=4 4074 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102631434_100011217392 [0,1,0,0,0,1|2,0,0]=4 4075 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102946585_200000210301 [0,1,0,0,0,1|2,0,0]=4 4076 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102631434_100011217392 [0,1,0,0,0,1|2,0,0]=4 4077 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102946585_200000210301 [0,1,0,0,0,1|2,0,0]=4 4078 B12R1.21 CN(C)CCc1ccc(cc1)F 34a_100102946585_200000210301 [0,1,0,0,0,1|2,0,0]=4 4079 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [0,1,0,0,0,1|2,0,0]=4 4080 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [0,1,0,0,0,1|2,0,0]=4 4081 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [0,1,0,0,0,1|2,0,0]=4 4082 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [0,1,0,0,0,1|2,0,0]=4 4083 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [0,1,0,0,0,1|2,0,0]=4 4084 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 2230a_100000752880_200025704644 [0,1,0,0,0,1|2,0,0]=4 4085 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 269982a_100000752880_200025704644 [0,1,0,0,0,1|2,0,0]=4 4086 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 34a_100000752880_200025704644 [0,1,0,0,0,1|2,0,0]=4 4087 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [0,1,0,0,0,1|2,0,0]=4 4088 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [0,1,0,0,0,1|2,0,0]=4 4089 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [0,1,0,0,0,1|2,0,0]=4 4090 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 2230a_100102946585_200025704644 [0,1,0,0,0,1|2,0,0]=4 4091 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 269982a_100102946585_200025704644 [0,1,0,0,0,1|2,0,0]=4 4092 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 34a_100102946585_200025704644 [0,1,0,0,0,1|2,0,0]=4 4093 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [0,1,0,0,0,1|2,0,0]=4 4094 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [0,1,0,0,0,1|2,0,0]=4 4095 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [0,1,0,0,0,1|2,0,0]=4 4096 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,1,0,0,0,1|2,0,0]=4 4097 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,1,0,0,0,1|2,0,0]=4 4098 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,1,0,0,0,1|2,0,0]=4 4099 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,1,0,0,0,1|2,0,0]=4 4100 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,1,0,0,0,1|2,0,0]=4 4101 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,1,0,0,0,1|2,0,0]=4 4102 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,1,0,0,0,1|2,0,0]=4 4103 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,1,0,0,0,1|2,0,0]=4 4104 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,1,0,0,0,1|2,0,0]=4 4105 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,1,0,0,0,1|2,0,0]=4 4106 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,1,0,0,0,1|2,0,0]=4 4107 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,1,0,0,0,1|2,0,0]=4 4108 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,1,0,0,0,1|2,0,0]=4 4109 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,1,0,0,0,1|2,0,0]=4 4110 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,1,0,0,0,1|2,0,0]=4 4111 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,1,0,0,0,1|1,0,0]=3 4112 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,1,0,0,0,1|1,0,0]=3 4113 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,1,0,0,0,1|1,0,0]=3 4114 B12R1.21 C[C@@H](O)COc1cnc(cn1)Br 34a_100011934580_100009817552 [0,1,0,0,0,1|2,0,0]=4 4115 B12R1.21 C[C@@H](O)COc1cnc(cn1)Cl 34a_100015839800_100009817552 [0,1,0,0,0,1|2,0,0]=4 4116 B12R1.21 C[C@@H](O)COc1ncc(cn1)F 34a_100011934040_100009817552 [0,1,0,0,0,1|2,0,0]=4 4117 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009817552_100009820020 [0,1,0,0,0,1|2,0,0]=4 4118 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009820020_100009817552 [0,1,0,0,0,1|2,0,0]=4 4119 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,1,0,0,0,1|2,0,0]=4 4120 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,1,0,0,0,1|2,0,0]=4 4121 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,1,0,0,0,1|2,0,0]=4 4122 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,1,0,0,0,1|2,0,0]=4 4123 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,1,0,0,0,1|2,0,0]=4 4124 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,1,0,0,0,1|2,0,0]=4 4125 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,1,0,0,0,1|2,0,0]=4 4126 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,1,0,0,0,1|2,0,0]=4 4127 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,1,0,0,0,1|2,0,0]=4 4128 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [0,1,0,0,0,1|1,0,0]=3 4129 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [0,1,0,0,0,1|1,0,0]=3 4130 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [0,1,0,0,0,1|1,0,0]=3 4131 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [0,1,0,0,0,1|1,0,0]=3 4132 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [0,1,0,0,0,1|1,0,0]=3 4133 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [0,1,0,0,0,1|1,0,0]=3 4134 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [0,1,0,0,0,1|1,0,0]=3 4135 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [0,1,0,0,0,1|1,0,0]=3 4136 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,1,0,0,0,1|1,0,0]=3 4137 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,1,0,0,0,1|1,0,0]=3 4138 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100000068654_100009817552 [0,1,0,0,0,1|2,0,0]=4 4139 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100009817552_100000068654 [0,1,0,0,0,1|2,0,0]=4 4140 B12R1.21 C[C@@H](O)CSc1ccc(nn1)N 62a_100009817552_100010219413 [0,1,0,0,0,1|2,0,0]=4 4141 B12R1.21 C[C@@H](O)CSc1ccc(nn1)N 62a_100010219413_100009817552 [0,1,0,0,0,1|2,0,0]=4 4142 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Br 62a_100009817552_100010187541 [0,1,0,0,0,1|2,0,0]=4 4143 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Br 62a_100010187541_100009817552 [0,1,0,0,0,1|2,0,0]=4 4144 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100009817552_100010214907 [0,1,0,0,0,1|2,0,0]=4 4145 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100010214907_100009817552 [0,1,0,0,0,1|2,0,0]=4 4146 B12R1.21 C[C@@H](O)CSc1cnc(cn1)F 62a_100009817552_100009856528 [0,1,0,0,0,1|2,0,0]=4 4147 B12R1.21 C[C@@H](O)CSc1cnc(cn1)F 62a_100009856528_100009817552 [0,1,0,0,0,1|2,0,0]=4 4148 B12R1.21 C[C@@H](O)CSc1cnc(cn1)N 62a_100000744751_100009817552 [0,1,0,0,0,1|2,0,0]=4 4149 B12R1.21 C[C@@H](O)CSc1cnc(cn1)N 62a_100009817552_100000744751 [0,1,0,0,0,1|2,0,0]=4 4150 B12R1.21 C[C@@H](O)CSc1cnc(cn1)O 62a_100009817552_100015839800 [0,1,0,0,0,1|2,0,0]=4 4151 B12R1.21 C[C@@H](O)CSc1cnc(cn1)O 62a_100011934580_100009817552 [0,1,0,0,0,1|2,0,0]=4 4152 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Br 62a_100000690281_100009817552 [0,1,0,0,0,1|2,0,0]=4 4153 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Br 62a_100009817552_100000690281 [0,1,0,0,0,1|2,0,0]=4 4154 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100009817552_100011356929 [0,1,0,0,0,1|2,0,0]=4 4155 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100011356929_100009817552 [0,1,0,0,0,1|2,0,0]=4 4156 B12R1.21 C[C@@H](O)CSc1ncc(cn1)F 62a_100000685220_100009817552 [0,1,0,0,0,1|2,0,0]=4 4157 B12R1.21 C[C@@H](O)CSc1ncc(cn1)F 62a_100009817552_100000685220 [0,1,0,0,0,1|2,0,0]=4 4158 B12R1.21 C[C@@H](O)CSc1ncc(cn1)N 62a_100000068403_100009817552 [0,1,0,0,0,1|2,0,0]=4 4159 B12R1.21 C[C@@H](O)CSc1ncc(cn1)N 62a_100009817552_100000068403 [0,1,0,0,0,1|2,0,0]=4 4160 B12R1.21 C[C@@H](O)CSc1ncc(cn1)O 62a_100000730009_100009817552 [0,1,0,0,0,1|2,0,0]=4 4161 B12R1.21 C[C@@H](O)CSc1ncc(cn1)O 62a_100009817552_100000092845 [0,1,0,0,0,1|2,0,0]=4 4162 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [0,1,0,0,0,1|1,0,1]=4 4163 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [0,1,0,0,0,1|2,0,0]=4 4164 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [0,1,0,0,0,1|2,0,0]=4 4165 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [0,1,0,0,0,1|1,0,0]=3 4166 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [0,1,0,0,0,1|1,0,0]=3 4167 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [0,1,0,0,0,1|1,0,0]=3 4168 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [0,1,0,0,0,1|1,0,0]=3 4169 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [0,1,0,0,0,1|1,0,0]=3 4170 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [0,1,0,0,0,1|1,0,0]=3 4171 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [0,1,0,0,0,1|1,0,0]=3 4172 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [0,1,0,0,0,1|1,0,0]=3 4173 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000210814 [0,1,0,0,0,1|1,0,0]=3 4174 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210814_100000210206 [0,1,0,0,0,1|1,0,0]=3 4175 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [0,1,0,0,0,1|1,0,0]=3 4176 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,1,0,0,0,1|2,0,0]=4 4177 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,1,0,0,0,1|2,0,0]=4 4178 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,1,0,0,0,1|1,0,0]=3 4179 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,1,0,0,0,1|1,0,0]=3 4180 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,1,0,0,0,1|2,0,0]=4 4181 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,1,0,0,0,1|2,0,0]=4 4182 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,1,0,0,0,1|2,0,0]=4 4183 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,1,0,0,0,1|2,0,0]=4 4184 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [0,1,0,0,0,1|1,0,0]=3 4185 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [0,1,0,0,0,1|1,0,0]=3 4186 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,1,0,0,0,1|2,0,0]=4 4187 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,1,0,0,0,1|2,0,0]=4 4188 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,1,0,0,0,1|2,0,0]=4 4189 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,1,0,0,0,1|2,0,0]=4 4190 B12R1.21 Cc1ccc(cn1)CNC(C)C 2230a_100138425928_100016987292 [0,1,0,0,0,1|2,0,0]=4 4191 B12R1.21 Cc1ccc(cn1)CNC(C)C 34a_100000740942_100000210206 [0,1,0,0,0,1|2,0,0]=4 4192 B12R1.21 Cc1ccc(cn1)CNC(C)C 34a_100138425928_100016987292 [0,1,0,0,0,1|2,0,0]=4 4193 B12R1.21 Cc1ccc(cn1)COC(C)C 34a_100000212225_100016987292 [0,1,0,0,0,1|2,0,0]=4 4194 B12R1.21 Cc1ccc(cn1)COC(C)C 34a_100011248133_100000210206 [0,1,0,0,0,1|2,0,0]=4 4195 B12R1.21 Cc1ccc(cn1)CSC(C)C 62a_100000210206_100016987292 [0,1,0,0,0,1|2,0,0]=4 4196 B12R1.21 Cc1ccc(cn1)CSC(C)C 62a_100016987292_100000210206 [0,1,0,0,0,1|2,0,0]=4 4197 B12R1.21 Cc1ccc(cn1)OCC(C)C 34a_100000745506_100000210624 [0,1,0,0,0,1|2,0,0]=4 4198 B12R1.21 Cc1ccc(cn1)OCC(C)C 7a_100000745506_100000210760 [0,1,0,0,0,1|2,0,0]=4 4199 B12R1.21 Cc1ccc(cn1)SCC(C)C 62a_100000210624_100000751577 [0,1,0,0,0,1|2,0,0]=4 4200 B12R1.21 Cc1ccc(cn1)SCC(C)C 62a_100000751577_100000210760 [0,1,0,0,0,1|2,0,0]=4 4201 B12R1.21 Cc1ccc(nc1)C=CC(C)C 271570a_100016257149_100000754016 [0,1,0,0,0,1|0,0,1]=3 4202 B12R1.21 Cc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000754016 [0,1,0,0,0,1|1,0,1]=4 4203 B12R1.21 Cc1ccc(nc1)CNC(C)C 207a_100138425928_100000050478 [0,1,0,0,0,1|0,0,0]=2 4204 B12R1.21 Cc1ccc(nc1)CNC(C)C 2230a_100138425928_100000691093 [0,1,0,0,0,1|0,0,0]=2 4205 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100015187455_100000210206 [0,1,0,0,0,1|0,0,0]=2 4206 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100138425928_100000691093 [0,1,0,0,0,1|0,0,0]=2 4207 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100000212225_100000691093 [0,1,0,0,0,1|0,0,0]=2 4208 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100012001401_100000210206 [0,1,0,0,0,1|0,0,0]=2 4209 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000210206_100000691093 [0,1,0,0,0,1|0,0,0]=2 4210 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000691093_100000210206 [0,1,0,0,0,1|0,0,0]=2 4211 B12R1.21 Cc1ccc(nc1)OCC(C)C 34a_100000759353_100000210624 [0,1,0,0,0,1|0,0,0]=2 4212 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,1,0,0,0,1|1,0,0]=3 4213 B12R1.21 Cc1ccc(nc1)OCC(F)F 34a_100000759353_100011934356 [0,1,0,0,0,1|2,0,0]=4 4214 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,1,0,0,0,1|1,0,0]=3 4215 B12R1.21 Cc1ccc(nc1)SCC(C)C 62a_100000210624_100000754016 [0,1,0,0,0,1|0,0,0]=2 4216 B12R1.21 Cc1ccc(nc1)SCC(C)C 62a_100011192072_100000210760 [0,1,0,0,0,1|0,0,0]=2 4217 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [0,1,0,0,0,1|1,0,0]=3 4218 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [0,1,0,0,0,1|1,0,0]=3 4219 B12R1.21 Cc1ccc(nc1)SCC(F)F 62a_100011192072_100011934356 [0,1,0,0,0,1|2,0,0]=4 4220 B12R1.21 Cc1ccc(nc1)SCC(F)F 62a_100011934356_100000754016 [0,1,0,0,0,1|2,0,0]=4 4221 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [0,1,0,0,0,1|1,0,0]=3 4222 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [0,1,0,0,0,1|1,0,0]=3 4223 B12R1.21 Cc1ccc(nn1)C=CC(C)C 271570a_100016257149_100011450037 [0,1,0,0,0,1|1,0,1]=4 4224 B12R1.21 Cc1ccc(nn1)NCC(C)C 27a_100000210953_100000744512 [0,1,0,0,0,1|1,0,0]=3 4225 B12R1.21 Cc1ccc(nn1)NCC(C)O 27a_100000210904_100000744512 [0,1,0,0,0,1|2,0,0]=4 4226 B12R1.21 Cc1ccc(nn1)SCC(C)C 62a_100000210624_100000744512 [0,1,0,0,0,1|1,0,0]=3 4227 B12R1.21 Cc1ccc(nn1)SCC(C)C 62a_100000744512_100000210760 [0,1,0,0,0,1|1,0,0]=3 4228 B12R1.21 Cc1ccc(nn1)SCC(C)O 62a_100000744512_100011218427 [0,1,0,0,0,1|2,0,0]=4 4229 B12R1.21 Cc1ccc(nn1)SCC(C)O 62a_100011218427_100000744512 [0,1,0,0,0,1|2,0,0]=4 4230 B12R1.21 Cc1ccc(nn1)SC[C@@H](C)O 62a_100000744512_100009817552 [0,1,0,0,0,1|2,0,0]=4 4231 B12R1.21 Cc1ccc(nn1)SC[C@@H](C)O 62a_100009817552_100000744512 [0,1,0,0,0,1|2,0,0]=4 4232 B12R1.21 Cc1cnc(cn1)C=CC(C)C 271570a_100016257149_100011999403 [0,1,0,0,0,1|1,0,1]=4 4233 B12R1.21 Cc1cnc(cn1)CNC(C)C 2230a_100138425928_100000752025 [0,1,0,0,0,1|1,0,0]=3 4234 B12R1.21 Cc1cnc(cn1)CNC(C)C 34a_100132314150_100000210206 [0,1,0,0,0,1|1,0,0]=3 4235 B12R1.21 Cc1cnc(cn1)COC(C)C 34a_100011273949_100000210206 [0,1,0,0,0,1|1,0,0]=3 4236 B12R1.21 Cc1cnc(cn1)CSC(C)C 62a_100000210206_100000752025 [0,1,0,0,0,1|1,0,0]=3 4237 B12R1.21 Cc1cnc(cn1)CSC(C)C 62a_100000752025_100000210206 [0,1,0,0,0,1|1,0,0]=3 4238 B12R1.21 Cc1cnc(cn1)NCC(C)C 27a_100000210953_100000074397 [0,1,0,0,0,1|1,0,0]=3 4239 B12R1.21 Cc1cnc(cn1)NCC(C)O 27a_100000210904_100000074397 [0,1,0,0,0,1|2,0,0]=4 4240 B12R1.21 Cc1cnc(cn1)SCC(C)C 62a_100000210624_100011999403 [0,1,0,0,0,1|1,0,0]=3 4241 B12R1.21 Cc1cnc(cn1)SCC(C)C 62a_100011999403_100000210760 [0,1,0,0,0,1|1,0,0]=3 4242 B12R1.21 Cc1cnc(cn1)SCC(C)O 62a_100011218427_100011999403 [0,1,0,0,0,1|2,0,0]=4 4243 B12R1.21 Cc1cnc(cn1)SCC(C)O 62a_100011999403_100011218427 [0,1,0,0,0,1|2,0,0]=4 4244 B12R1.21 Cc1cnc(cn1)SC[C@@H](C)O 62a_100009817552_100011999403 [0,1,0,0,0,1|2,0,0]=4 4245 B12R1.21 Cc1cnc(cn1)SC[C@@H](C)O 62a_100011999403_100009817552 [0,1,0,0,0,1|2,0,0]=4 4246 B12R1.21 Cc1cnc(nc1)C=CC(C)C 271570a_100016257149_100011825175 [0,1,0,0,0,1|1,0,1]=4 4247 B12R1.21 Cc1cnc(nc1)CNC(C)C 2230a_100138425928_100000685645 [0,1,0,0,0,1|1,0,0]=3 4248 B12R1.21 Cc1cnc(nc1)CNC(C)C 34a_100138425928_100000685645 [0,1,0,0,0,1|1,0,0]=3 4249 B12R1.21 Cc1cnc(nc1)COC(C)C 34a_100000212225_100000685645 [0,1,0,0,0,1|1,0,0]=3 4250 B12R1.21 Cc1cnc(nc1)CSC(C)C 62a_100000210206_100000685645 [0,1,0,0,0,1|1,0,0]=3 4251 B12R1.21 Cc1cnc(nc1)CSC(C)C 62a_100000685645_100000210206 [0,1,0,0,0,1|1,0,0]=3 4252 B12R1.21 Cc1cnc(nc1)NCC(C)C 27a_100000210953_100000061069 [0,1,0,0,0,1|1,0,0]=3 4253 B12R1.21 Cc1cnc(nc1)NCC(C)O 27a_100000210904_100000061069 [0,1,0,0,0,1|2,0,0]=4 4254 B12R1.21 Cc1cnc(nc1)SCC(C)C 62a_100000061069_100000210760 [0,1,0,0,0,1|1,0,0]=3 4255 B12R1.21 Cc1cnc(nc1)SCC(C)C 62a_100000210624_100000061069 [0,1,0,0,0,1|1,0,0]=3 4256 B12R1.21 Cc1cnc(nc1)SCC(C)O 62a_100000061069_100011218427 [0,1,0,0,0,1|2,0,0]=4 4257 B12R1.21 Cc1cnc(nc1)SCC(C)O 62a_100011218427_100000061069 [0,1,0,0,0,1|2,0,0]=4 4258 B12R1.21 Cc1cnc(nc1)SC[C@@H](C)O 62a_100000061069_100009817552 [0,1,0,0,0,1|2,0,0]=4 4259 B12R1.21 Cc1cnc(nc1)SC[C@@H](C)O 62a_100009817552_100000061069 [0,1,0,0,0,1|2,0,0]=4 4260 B12R1.21 FC(F)CNc1ccc(cn1)Br 27a_100000765723_100000686858 [0,1,0,0,0,1|2,0,0]=4 4261 B12R1.21 FC(F)COc1ccc(cn1)Cl 34a_100011215309_100011934356 [0,1,0,0,0,1|2,0,0]=4 4262 B12R1.21 FC(F)CSc1ccc(cn1)Br 62a_100000686858_100011934356 [0,1,0,0,0,1|2,0,0]=4 4263 B12R1.21 FC(F)CSc1ccc(cn1)Br 62a_100011934356_100000686858 [0,1,0,0,0,1|2,0,0]=4 4264 B12R1.21 FC(F)CSc1ccc(cn1)Cl 62a_100011356976_100011934356 [0,1,0,0,0,1|2,0,0]=4 4265 B12R1.21 FC(F)CSc1ccc(cn1)Cl 62a_100011934356_100011356976 [0,1,0,0,0,1|2,0,0]=4 4266 B12R1.21 Fc1ccc(nc1)OCC(F)F 34a_100000742473_100011934356 [0,1,0,0,0,1|2,0,0]=4 4267 B12R1.21 Fc1ccc(nc1)SCC(F)F 62a_100000744514_100011934356 [0,1,0,0,0,1|2,0,0]=4 4268 B12R1.21 Fc1ccc(nc1)SCC(F)F 62a_100011934356_100000744514 [0,1,0,0,0,1|2,0,0]=4 4269 B12R1.21 Nc1ccc(nc1)OCC(F)F 34a_100000729260_100011934356 [0,1,0,0,0,1|2,0,0]=4 4270 B12R1.21 Nc1ccc(nc1)SCC(F)F 62a_100000737798_100011934356 [0,1,0,0,0,1|2,0,0]=4 4271 B12R1.21 Nc1ccc(nc1)SCC(F)F 62a_100011934356_100000737798 [0,1,0,0,0,1|2,0,0]=4 4272 B12R1.21 Oc1ccc(nc1)SCC(F)F 62a_100000685995_100011934356 [0,1,0,0,0,1|2,0,0]=4 4273 B12R1.21 Oc1ccc(nc1)SCC(F)F 62a_100011934356_100000744096 [0,1,0,0,0,1|2,0,0]=4 4274 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,1,0,0,0,1|1,0,1]=4 4275 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,1,0,0,0,1|1,0,1]=4 4276 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,1,0,0,0,1|1,0,1]=4 4277 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,1,0,0,0,1|1,0,1]=4 4278 B12R1.27 C#CC(C)NCc1ccccn1 2230a_100000707721_100000721315 [0,1,0,0,0,1|0,0,1]=3 4279 B12R1.27 C#CC(C)NCc1ccccn1 270004a_100000707721_100000209966 [0,1,0,0,0,1|0,0,1]=3 4280 B12R1.27 C#CC(C)NCc1ccccn1 34a_100000707721_100000721315 [0,1,0,0,0,1|0,0,1]=3 4281 B12R1.27 C#CC(C)NCc1cccnn1 2230a_100000707721_100016990269 [0,1,0,0,0,1|1,0,1]=4 4282 B12R1.27 C#CC(C)NCc1cccnn1 34a_100000707721_100016990269 [0,1,0,0,0,1|1,0,1]=4 4283 B12R1.27 C#CC(C)NCc1cnccn1 2230a_100000707721_100016995436 [0,1,0,0,0,1|1,0,1]=4 4284 B12R1.27 C#CC(C)NCc1cnccn1 270004a_100000707721_100000749867 [0,1,0,0,0,1|1,0,1]=4 4285 B12R1.27 C#CC(C)NCc1cnccn1 34a_100000707721_100016995436 [0,1,0,0,0,1|1,0,1]=4 4286 B12R1.27 C#CC(C)NCc1ncccn1 2230a_100000707721_100000703007 [0,1,0,0,0,1|1,0,1]=4 4287 B12R1.27 C#CC(C)NCc1ncccn1 270004a_100000707721_100011532527 [0,1,0,0,0,1|1,0,1]=4 4288 B12R1.27 C#CC(C)NCc1ncccn1 34a_100000707721_100000703007 [0,1,0,0,0,1|1,0,1]=4 4289 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,1,0,0,0,1|1,0,1]=4 4290 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,1,0,0,0,1|1,0,1]=4 4291 B12R1.27 C#CC(C)SCc1ccccn1 62a_200000035995_100000721315 [0,1,0,0,0,1|0,0,1]=3 4292 B12R1.27 C#CC(C)SCc1cccnn1 62a_200000035995_100016990269 [0,1,0,0,0,1|1,0,1]=4 4293 B12R1.27 C#CC(C)SCc1cnccn1 62a_200000035995_100016995436 [0,1,0,0,0,1|1,0,1]=4 4294 B12R1.27 C#CC(C)SCc1ncccn1 62a_200000035995_100000703007 [0,1,0,0,0,1|1,0,1]=4 4295 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,1,0,0,0,1|1,0,1]=4 4296 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,1,0,0,0,1|1,0,1]=4 4297 B12R1.27 C#C[C@@H](C)OCc1ccccn1 34a_100009815206_100000721315 [0,1,0,0,0,1|0,0,1]=3 4298 B12R1.27 C#C[C@@H](C)OCc1ccccn1 7a_100009815206_100000721315 [0,1,0,0,0,1|0,0,1]=3 4299 B12R1.27 C#C[C@@H](C)OCc1cccnn1 34a_100009815206_100016990269 [0,1,0,0,0,1|1,0,1]=4 4300 B12R1.27 C#C[C@@H](C)OCc1cccnn1 7a_100009815206_100016990269 [0,1,0,0,0,1|1,0,1]=4 4301 B12R1.27 C#C[C@@H](C)OCc1cnccn1 34a_100009815206_100016995436 [0,1,0,0,0,1|1,0,1]=4 4302 B12R1.27 C#C[C@@H](C)OCc1cnccn1 7a_100009815206_100016995436 [0,1,0,0,0,1|1,0,1]=4 4303 B12R1.27 C#C[C@@H](C)OCc1ncccn1 34a_100009815206_100000703007 [0,1,0,0,0,1|1,0,1]=4 4304 B12R1.27 C#C[C@@H](C)OCc1ncccn1 7a_100009815206_100000703007 [0,1,0,0,0,1|1,0,1]=4 4305 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,1,0,0,0,1|1,0,1]=4 4306 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,1,0,0,0,1|0,0,1]=3 4307 B12R1.27 C=CC(C)OCc1cccnn1 34a_100000695699_100016990269 [0,1,0,0,0,1|1,0,1]=4 4308 B12R1.27 C=CC(C)OCc1cnccn1 34a_100000695699_100016995436 [0,1,0,0,0,1|1,0,1]=4 4309 B12R1.27 C=CC(C)OCc1ncccn1 34a_100000695699_100000703007 [0,1,0,0,0,1|1,0,1]=4 4310 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,1,0,0,0,1|1,0,1]=4 4311 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,1,0,0,0,1|0,0,1]=3 4312 B12R1.27 C=CC(C)SCc1cccnn1 62a_100011215867_100016990269 [0,1,0,0,0,1|1,0,1]=4 4313 B12R1.27 C=CC(C)SCc1cnccn1 62a_100011215867_100016995436 [0,1,0,0,0,1|1,0,1]=4 4314 B12R1.27 C=CC(C)SCc1ncccn1 62a_100011215867_100000703007 [0,1,0,0,0,1|1,0,1]=4 4315 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,1,0,0,0,1|1,0,1]=4 4316 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,1,0,0,0,1|1,0,1]=4 4317 B12R1.27 CC(=NNc1ccccn1)CF 4a_100000183288_100000039719 [0,1,0,0,0,1|1,0,1]=4 4318 B12R1.27 CC(=NNc1ccccn1)CO 4a_100000183288_100000211253 [0,1,0,0,0,1|1,0,1]=4 4319 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,1,0,0,0,1|1,0,1]=4 4320 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,1,0,0,0,1|1,0,1]=4 4321 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,1,0,0,0,1|1,0,1]=4 4322 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,1,0,0,0,1|1,0,1]=4 4323 B12R1.27 CC(C#N)NCc1ccccn1 2230a_100000737613_100000721315 [0,1,0,0,0,1|0,0,1]=3 4324 B12R1.27 CC(C#N)NCc1cccnn1 2230a_100000737613_100016990269 [0,1,0,0,0,1|1,0,1]=4 4325 B12R1.27 CC(C#N)NCc1cccnn1 2230a_100159270163_100000184139 [0,1,0,0,0,1|1,0,1]=4 4326 B12R1.27 CC(C#N)NCc1cnccn1 2230a_100000737613_100016995436 [0,1,0,0,0,1|1,0,1]=4 4327 B12R1.27 CC(C#N)NCc1ncccn1 2230a_100000737613_100000703007 [0,1,0,0,0,1|1,0,1]=4 4328 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,1,0,0,0,1|1,0,1]=4 4329 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,1,0,0,0,1|1,0,1]=4 4330 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,1,0,0,0,1|0,0,1]=3 4331 B12R1.27 CC(C#N)OCc1cccnn1 34a_100011218135_100016990269 [0,1,0,0,0,1|1,0,1]=4 4332 B12R1.27 CC(C#N)OCc1cnccn1 34a_100011218135_100016995436 [0,1,0,0,0,1|1,0,1]=4 4333 B12R1.27 CC(C#N)OCc1ncccn1 34a_100011218135_100000703007 [0,1,0,0,0,1|1,0,1]=4 4334 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,1,0,0,0,1|1,0,1]=4 4335 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,1,0,0,0,1|1,0,1]=4 4336 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,1,0,0,0,1|0,0,1]=3 4337 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,1,0,0,0,1|0,0,1]=3 4338 B12R1.27 CC(C#N)SCc1cccnn1 62a_100000703298_100016990269 [0,1,0,0,0,1|1,0,1]=4 4339 B12R1.27 CC(C#N)SCc1cccnn1 62a_100016990269_100000703298 [0,1,0,0,0,1|1,0,1]=4 4340 B12R1.27 CC(C#N)SCc1cnccn1 62a_100000703298_100016995436 [0,1,0,0,0,1|1,0,1]=4 4341 B12R1.27 CC(C#N)SCc1cnccn1 62a_100016995436_100000703298 [0,1,0,0,0,1|1,0,1]=4 4342 B12R1.27 CC(C#N)SCc1ncccn1 62a_100000703007_100000703298 [0,1,0,0,0,1|1,0,1]=4 4343 B12R1.27 CC(C#N)SCc1ncccn1 62a_100000703298_100000703007 [0,1,0,0,0,1|1,0,1]=4 4344 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,1,0,0,0,1|1,0,0]=3 4345 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,1,0,0,0,1|1,0,0]=3 4346 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,1,0,0,0,1|1,0,0]=3 4347 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,1,0,0,0,1|1,0,0]=3 4348 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,1,0,0,0,1|0,0,0]=2 4349 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,1,0,0,0,1|0,0,0]=2 4350 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,1,0,0,0,1|2,0,0]=4 4351 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,1,0,0,0,1|2,0,0]=4 4352 B12R1.27 CC(CF)OCc1cccnn1 34a_100016041109_100016990269 [0,1,0,0,0,1|1,0,0]=3 4353 B12R1.27 CC(CF)OCc1cccnn1 7a_100016041109_100016990269 [0,1,0,0,0,1|1,0,0]=3 4354 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,1,0,0,0,1|2,0,0]=4 4355 B12R1.27 CC(CF)OCc1cnccn1 34a_100016041109_100016995436 [0,1,0,0,0,1|1,0,0]=3 4356 B12R1.27 CC(CF)OCc1cnccn1 7a_100016041109_100016995436 [0,1,0,0,0,1|1,0,0]=3 4357 B12R1.27 CC(CF)OCc1ncccn1 34a_100016041109_100000703007 [0,1,0,0,0,1|1,0,0]=3 4358 B12R1.27 CC(CF)OCc1ncccn1 7a_100016041109_100000703007 [0,1,0,0,0,1|1,0,0]=3 4359 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,1|1,0,0]=3 4360 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,1|0,0,0]=2 4361 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,1,0,0,0,1|2,0,0]=4 4362 B12R1.27 CC(CN)OCc1cccnn1 34a_100000210904_100016990269 [0,1,0,0,0,1|1,0,0]=3 4363 B12R1.27 CC(CN)OCc1cnccn1 34a_100000210904_100016995436 [0,1,0,0,0,1|1,0,0]=3 4364 B12R1.27 CC(CN)OCc1ncccn1 34a_100000210904_100000703007 [0,1,0,0,0,1|1,0,0]=3 4365 B12R1.27 CC(CO)CNc1cccnn1 27a_100000744482_100016991348 [0,1,0,0,0,1|1,0,0]=3 4366 B12R1.27 CC(CO)CNc1ccncn1 27a_100000744482_100000703185 [0,1,0,0,0,1|1,0,0]=3 4367 B12R1.27 CC(CO)CNc1cnccn1 27a_100000744482_100000211759 [0,1,0,0,0,1|1,0,0]=3 4368 B12R1.27 CC(CO)CNc1ncccn1 27a_100000744482_100000211032 [0,1,0,0,0,1|1,0,0]=3 4369 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,1,0,0,0,1|1,0,0]=3 4370 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,1,0,0,0,1|1,0,0]=3 4371 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,1,0,0,0,1|1,0,0]=3 4372 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,1,0,0,0,1|1,0,0]=3 4373 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,1,0,0,0,1|1,0,0]=3 4374 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,1,0,0,0,1|1,0,0]=3 4375 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,1,0,0,0,1|0,0,0]=2 4376 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,1,0,0,0,1|2,0,0]=4 4377 B12R1.27 CC(CO)SCc1cccnn1 62a_100012180447_100016990269 [0,1,0,0,0,1|1,0,0]=3 4378 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,1,0,0,0,1|2,0,0]=4 4379 B12R1.27 CC(CO)SCc1cnccn1 62a_100012180447_100016995436 [0,1,0,0,0,1|1,0,0]=3 4380 B12R1.27 CC(CO)SCc1ncccn1 62a_100012180447_100000703007 [0,1,0,0,0,1|1,0,0]=3 4381 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,1,0,0,0,1|1,0,0]=3 4382 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,1,0,0,0,1|1,0,0]=3 4383 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,1,0,0,0,1|1,0,0]=3 4384 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,1,0,0,0,1|1,0,0]=3 4385 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|1,0,1]=4 4386 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|1,0,1]=4 4387 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,1,0,0,0,1|1,0,1]=4 4388 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,1,0,0,0,1|1,0,1]=4 4389 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,1,0,0,0,1|1,0,1]=4 4390 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,1,0,0,0,1|1,0,1]=4 4391 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,1,0,0,0,1|1,0,1]=4 4392 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,1,0,0,0,1|1,0,1]=4 4393 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,1,0,0,0,1|1,0,1]=4 4394 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,1,0,0,0,1|1,0,1]=4 4395 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,1,0,0,0,1|1,0,0]=3 4396 B12R1.27 CCC(C)CNc1cccnn1 27a_100020588543_100016991348 [0,1,0,0,0,1|1,0,0]=3 4397 B12R1.27 CCC(C)CNc1ccncn1 27a_100020588543_100000703185 [0,1,0,0,0,1|1,0,0]=3 4398 B12R1.27 CCC(C)CNc1cnccn1 27a_100020588543_100000211759 [0,1,0,0,0,1|1,0,0]=3 4399 B12R1.27 CCC(C)CNc1ncccn1 27a_100020588543_100000211032 [0,1,0,0,0,1|1,0,0]=3 4400 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,0,0,1|1,0,0]=3 4401 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,0,0,1|1,0,0]=3 4402 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,1,0,0,0,1|2,0,0]=4 4403 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,1,0,0,0,1|2,0,0]=4 4404 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,1,0,0,0,1|2,0,0]=4 4405 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,1,0,0,0,1|1,0,0]=3 4406 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,1,0,0,0,1|1,0,0]=3 4407 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,1,0,0,0,1|0,0,0]=2 4408 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,1,0,0,0,1|0,0,0]=2 4409 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,1,0,0,0,1|2,0,0]=4 4410 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,1,0,0,0,1|2,0,0]=4 4411 B12R1.27 CCC(C)CSc1cccnn1 62a_100000748023_100016991348 [0,1,0,0,0,1|1,0,0]=3 4412 B12R1.27 CCC(C)CSc1cccnn1 62a_100016991348_100000748023 [0,1,0,0,0,1|1,0,0]=3 4413 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,1,0,0,0,1|2,0,0]=4 4414 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,1,0,0,0,1|2,0,0]=4 4415 B12R1.27 CCC(C)CSc1ccncn1 62a_100000703185_100000748023 [0,1,0,0,0,1|1,0,0]=3 4416 B12R1.27 CCC(C)CSc1ccncn1 62a_100000748023_100000703185 [0,1,0,0,0,1|1,0,0]=3 4417 B12R1.27 CCC(C)CSc1cnccn1 62a_100000211759_100000748023 [0,1,0,0,0,1|1,0,0]=3 4418 B12R1.27 CCC(C)CSc1cnccn1 62a_100000748023_100000211759 [0,1,0,0,0,1|1,0,0]=3 4419 B12R1.27 CCC(C)CSc1ncccn1 62a_100000211032_100000748023 [0,1,0,0,0,1|1,0,0]=3 4420 B12R1.27 CCC(C)CSc1ncccn1 62a_100000748023_100000211032 [0,1,0,0,0,1|1,0,0]=3 4421 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,0,0,0,1|1,0,0]=3 4422 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,0,0,0,1|1,0,0]=3 4423 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,0,0,0,1|1,0,0]=3 4424 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,0,0,0,1|1,0,0]=3 4425 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,0,0,0,1|1,0,0]=3 4426 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,0,0,0,1|0,0,0]=2 4427 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,0,0,0,1|0,0,0]=2 4428 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,0,0,0,1|0,0,0]=2 4429 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,1,0,0,0,1|2,0,0]=4 4430 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,1,0,0,0,1|2,0,0]=4 4431 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,1,0,0,0,1|2,0,0]=4 4432 B12R1.27 CCC(C)NCc1cccnn1 2230a_100000209981_100016990269 [0,1,0,0,0,1|1,0,0]=3 4433 B12R1.27 CCC(C)NCc1cccnn1 2230a_100159270163_100000758301 [0,1,0,0,0,1|1,0,0]=3 4434 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,1,0,0,0,1|2,0,0]=4 4435 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,1,0,0,0,1|2,0,0]=4 4436 B12R1.27 CCC(C)NCc1cnccn1 2230a_100000209981_100016995436 [0,1,0,0,0,1|1,0,0]=3 4437 B12R1.27 CCC(C)NCc1cnccn1 270004a_100000209981_100000749867 [0,1,0,0,0,1|1,0,0]=3 4438 B12R1.27 CCC(C)NCc1ncccn1 2230a_100000209981_100000703007 [0,1,0,0,0,1|1,0,0]=3 4439 B12R1.27 CCC(C)NCc1ncccn1 270004a_100000209981_100011532527 [0,1,0,0,0,1|1,0,0]=3 4440 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,0,0,1|1,0,0]=3 4441 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,0,0,1|1,0,0]=3 4442 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,0,0,1|1,0,0]=3 4443 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,1,0,0,0,1|0,0,0]=2 4444 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,1,0,0,0,1|2,0,0]=4 4445 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,1,0,0,0,1|1,0,0]=3 4446 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,1,0,0,0,1|2,0,0]=4 4447 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,1,0,0,0,1|1,0,0]=3 4448 B12R1.27 CCC(C)OCc1ncccn1 7a_100000210228_100000703007 [0,1,0,0,0,1|1,0,0]=3 4449 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,0,0,0,1|1,0,0]=3 4450 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,0,0,0,1|1,0,0]=3 4451 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,1,0,0,0,1|0,0,0]=2 4452 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,1,0,0,0,1|0,0,0]=2 4453 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,1,0,0,0,1|2,0,0]=4 4454 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,1,0,0,0,1|2,0,0]=4 4455 B12R1.27 CCC(C)SCc1cccnn1 62a_100000758301_100016990269 [0,1,0,0,0,1|1,0,0]=3 4456 B12R1.27 CCC(C)SCc1cccnn1 62a_100016990269_100000758301 [0,1,0,0,0,1|1,0,0]=3 4457 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,1,0,0,0,1|2,0,0]=4 4458 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,1,0,0,0,1|2,0,0]=4 4459 B12R1.27 CCC(C)SCc1cnccn1 62a_100000758301_100016995436 [0,1,0,0,0,1|1,0,0]=3 4460 B12R1.27 CCC(C)SCc1cnccn1 62a_100016995436_100000758301 [0,1,0,0,0,1|1,0,0]=3 4461 B12R1.27 CCC(C)SCc1ncccn1 62a_100000703007_100000758301 [0,1,0,0,0,1|1,0,0]=3 4462 B12R1.27 CCC(C)SCc1ncccn1 62a_100000758301_100000703007 [0,1,0,0,0,1|1,0,0]=3 4463 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,0,0,1|2,0,0]=4 4464 B12R1.27 CCC(O)CNc1cccnn1 27a_100011218483_100016991348 [0,1,0,0,0,1|2,0,0]=4 4465 B12R1.27 CCC(O)CNc1ccncn1 27a_100011218483_100000703185 [0,1,0,0,0,1|2,0,0]=4 4466 B12R1.27 CCC(O)CNc1cnccn1 27a_100011218483_100000211759 [0,1,0,0,0,1|2,0,0]=4 4467 B12R1.27 CCC(O)CNc1ncccn1 27a_100011218483_100000211032 [0,1,0,0,0,1|2,0,0]=4 4468 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,1|2,0,0]=4 4469 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,1|2,0,0]=4 4470 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,0,0,1|2,0,0]=4 4471 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,0,0,1|2,0,0]=4 4472 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,1,0,0,0,1|1,0,0]=3 4473 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,1,0,0,0,1|1,0,0]=3 4474 B12R1.27 CCC(O)CSc1cccnn1 62a_100011218378_100016991348 [0,1,0,0,0,1|2,0,0]=4 4475 B12R1.27 CCC(O)CSc1cccnn1 62a_100016991348_100011218378 [0,1,0,0,0,1|2,0,0]=4 4476 B12R1.27 CCC(O)CSc1ccncn1 62a_100000703185_100011218378 [0,1,0,0,0,1|2,0,0]=4 4477 B12R1.27 CCC(O)CSc1ccncn1 62a_100011218378_100000703185 [0,1,0,0,0,1|2,0,0]=4 4478 B12R1.27 CCC(O)CSc1cnccn1 62a_100000211759_100011218378 [0,1,0,0,0,1|2,0,0]=4 4479 B12R1.27 CCC(O)CSc1cnccn1 62a_100011218378_100000211759 [0,1,0,0,0,1|2,0,0]=4 4480 B12R1.27 CCC(O)CSc1ncccn1 62a_100000211032_100011218378 [0,1,0,0,0,1|2,0,0]=4 4481 B12R1.27 CCC(O)CSc1ncccn1 62a_100011218378_100000211032 [0,1,0,0,0,1|2,0,0]=4 4482 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,1,0,0,0,1|2,0,0]=4 4483 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,1,0,0,0,1|2,0,0]=4 4484 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,1,0,0,0,1|2,0,0]=4 4485 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,1,0,0,0,1|2,0,0]=4 4486 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,1,0,0,0,1|2,0,0]=4 4487 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,1,0,0,0,1|2,0,0]=4 4488 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,1,0,0,0,1|1,0,0]=3 4489 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,1,0,0,0,1|1,0,0]=3 4490 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,1,0,0,0,1|1,0,0]=3 4491 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,1,0,0,0,1|1,0,0]=3 4492 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,1,0,0,0,1|1,0,0]=3 4493 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,1,0,0,0,1|1,0,0]=3 4494 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,1,0,0,0,1|2,0,0]=4 4495 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,1,0,0,0,1|2,0,0]=4 4496 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,1,0,0,0,1|2,0,0]=4 4497 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,1,0,0,0,1|2,0,0]=4 4498 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,1,0,0,0,1|1,0,0]=3 4499 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,1,0,0,0,1|1,0,0]=3 4500 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,1,0,0,0,1|1,0,0]=3 4501 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,0,0,1|1,0,0]=3 4502 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,0,0,1|1,0,0]=3 4503 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,1,0,0,0,1|2,0,0]=4 4504 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,1,0,0,0,1|2,0,0]=4 4505 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,1,0,0,0,1|2,0,0]=4 4506 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,1,0,0,0,1|1,0,0]=3 4507 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,1,0,0,0,1|1,0,0]=3 4508 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,1,0,0,0,1|0,0,0]=2 4509 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,1,0,0,0,1|0,0,0]=2 4510 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,1,0,0,0,1|2,0,0]=4 4511 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,1,0,0,0,1|2,0,0]=4 4512 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100009816398_100016991348 [0,1,0,0,0,1|1,0,0]=3 4513 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100016991348_100009816398 [0,1,0,0,0,1|1,0,0]=3 4514 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,1,0,0,0,1|2,0,0]=4 4515 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,1,0,0,0,1|2,0,0]=4 4516 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100000703185_100009816398 [0,1,0,0,0,1|1,0,0]=3 4517 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100009816398_100000703185 [0,1,0,0,0,1|1,0,0]=3 4518 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100000211759_100009816398 [0,1,0,0,0,1|1,0,0]=3 4519 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100009816398_100000211759 [0,1,0,0,0,1|1,0,0]=3 4520 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100000211032_100009816398 [0,1,0,0,0,1|1,0,0]=3 4521 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100009816398_100000211032 [0,1,0,0,0,1|1,0,0]=3 4522 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,1,0,0,0,1|2,0,0]=4 4523 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,1,0,0,0,1|1,0,0]=3 4524 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,1|1,0,1]=4 4525 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,1|1,0,1]=4 4526 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,1|1,0,1]=4 4527 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,1,0,0,0,1|1,0,1]=4 4528 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,1,0,0,0,1|1,0,1]=4 4529 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,1,0,0,0,1|1,0,1]=4 4530 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,1,0,0,0,1|1,0,1]=4 4531 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,1,0,0,0,1|1,0,1]=4 4532 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,1,0,0,0,1|1,0,1]=4 4533 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,1,0,0,0,1|1,0,1]=4 4534 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,1,0,0,0,1|1,0,1]=4 4535 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,1,0,0,0,1|1,0,1]=4 4536 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,1,0,0,0,1|1,0,1]=4 4537 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,1,0,0,0,1|1,0,1]=4 4538 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,1,0,0,0,1|1,0,1]=4 4539 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,1,0,0,0,1|1,0,1]=4 4540 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,1,0,0,0,1|1,0,0]=3 4541 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,1,0,0,0,1|1,0,0]=3 4542 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,1,0,0,0,1|1,0,0]=3 4543 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,1,0,0,0,1|1,0,0]=3 4544 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,1,0,0,0,1|1,0,0]=3 4545 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,1,0,0,0,1|1,0,0]=3 4546 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,1,0,0,0,1|1,0,0]=3 4547 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,1|1,0,1]=4 4548 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,1|1,0,1]=4 4549 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,1,0,0,0,1|1,0,1]=4 4550 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,1,0,0,0,1|1,0,1]=4 4551 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,1,0,0,0,1|1,0,0]=3 4552 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,1,0,0,0,1|1,0,0]=3 4553 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,1,0,0,0,1|1,0,0]=3 4554 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,1,0,0,0,1|1,0,0]=3 4555 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,1,0,0,0,1|0,0,0]=2 4556 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,1,0,0,0,1|0,0,0]=2 4557 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,1,0,0,0,1|2,0,0]=4 4558 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,1,0,0,0,1|2,0,0]=4 4559 B12R1.27 COC(C)SCc1cccnn1 62a_100009879195_100016990269 [0,1,0,0,0,1|1,0,0]=3 4560 B12R1.27 COC(C)SCc1cccnn1 62a_100016990269_100009879195 [0,1,0,0,0,1|1,0,0]=3 4561 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [0,1,0,0,0,1|2,0,0]=4 4562 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [0,1,0,0,0,1|2,0,0]=4 4563 B12R1.27 COC(C)SCc1cnccn1 62a_100009879195_100016995436 [0,1,0,0,0,1|1,0,0]=3 4564 B12R1.27 COC(C)SCc1cnccn1 62a_100016995436_100009879195 [0,1,0,0,0,1|1,0,0]=3 4565 B12R1.27 COC(C)SCc1ncccn1 62a_100000703007_100009879195 [0,1,0,0,0,1|1,0,0]=3 4566 B12R1.27 COC(C)SCc1ncccn1 62a_100009879195_100000703007 [0,1,0,0,0,1|1,0,0]=3 4567 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,1|1,0,0]=3 4568 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,1|1,0,0]=3 4569 B12R1.27 CO[C@H](C)CNc1cccnn1 27a_100020591295_100016991348 [0,1,0,0,0,1|1,0,0]=3 4570 B12R1.27 CO[C@H](C)CNc1ccncn1 27a_100020591295_100000703185 [0,1,0,0,0,1|1,0,0]=3 4571 B12R1.27 CO[C@H](C)CNc1cnccn1 27a_100020591295_100000211759 [0,1,0,0,0,1|1,0,0]=3 4572 B12R1.27 CO[C@H](C)CNc1ncccn1 27a_100020591295_100000211032 [0,1,0,0,0,1|1,0,0]=3 4573 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,1|1,0,0]=3 4574 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,1|1,0,0]=3 4575 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,1,0,0,0,1|1,0,0]=3 4576 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,1,0,0,0,1|1,0,0]=3 4577 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,1,0,0,0,1|1,0,0]=3 4578 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,1,0,0,0,1|2,0,0]=4 4579 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,1,0,0,0,1|2,0,0]=4 4580 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,1,0,0,0,1|2,0,0]=4 4581 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,1,0,0,0,1|1,0,0]=3 4582 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,1,0,0,0,1|1,0,0]=3 4583 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,1,0,0,0,1|0,0,0]=2 4584 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,1,0,0,0,1|0,0,0]=2 4585 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,1,0,0,0,1|2,0,0]=4 4586 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,1,0,0,0,1|2,0,0]=4 4587 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100000059175_100016991348 [0,1,0,0,0,1|1,0,0]=3 4588 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100016991348_100000059175 [0,1,0,0,0,1|1,0,0]=3 4589 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,1,0,0,0,1|2,0,0]=4 4590 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,1,0,0,0,1|2,0,0]=4 4591 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000059175_100000703185 [0,1,0,0,0,1|1,0,0]=3 4592 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000703185_100000059175 [0,1,0,0,0,1|1,0,0]=3 4593 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000059175_100000211759 [0,1,0,0,0,1|1,0,0]=3 4594 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000211759_100000059175 [0,1,0,0,0,1|1,0,0]=3 4595 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000059175_100000211032 [0,1,0,0,0,1|1,0,0]=3 4596 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000211032_100000059175 [0,1,0,0,0,1|1,0,0]=3 4597 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,1,0,0,0,1|1,0,0]=3 4598 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,1,0,0,0,1|1,0,0]=3 4599 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,1,0,0,0,1|0,0,0]=2 4600 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,1,0,0,0,1|0,0,0]=2 4601 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,1,0,0,0,1|2,0,0]=4 4602 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,1,0,0,0,1|2,0,0]=4 4603 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,1,0,0,0,1|2,0,0]=4 4604 B12R1.27 C[C@H](CF)NCc1cnccn1 270004a_100102880703_100000749867 [0,1,0,0,0,1|1,0,0]=3 4605 B12R1.27 C[C@H](CF)NCc1ncccn1 270004a_100102880703_100011532527 [0,1,0,0,0,1|1,0,0]=3 4606 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,1,0,0,0,1|1,0,0]=3 4607 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,1,0,0,0,1|1,0,0]=3 4608 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,1,0,0,0,1|1,0,0]=3 4609 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,1,0,0,0,1|0,0,0]=2 4610 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,1,0,0,0,1|0,0,0]=2 4611 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,1,0,0,0,1|0,0,0]=2 4612 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,1,0,0,0,1|2,0,0]=4 4613 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,1,0,0,0,1|2,0,0]=4 4614 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,1,0,0,0,1|2,0,0]=4 4615 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,1,0,0,0,1|1,0,0]=3 4616 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,1,0,0,0,1|2,0,0]=4 4617 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,1,0,0,0,1|2,0,0]=4 4618 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,1,0,0,0,1|1,0,0]=3 4619 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,1,0,0,0,1|1,0,0]=3 4620 B12R1.27 C[C@H](CO)NCc1ncccn1 2230a_100000737577_100000703007 [0,1,0,0,0,1|1,0,0]=3 4621 B12R1.27 C[C@H](CO)NCc1ncccn1 270004a_100000737577_100011532527 [0,1,0,0,0,1|1,0,0]=3 4622 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,1,0,0,0,1|1,0,0]=3 4623 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,1,0,0,0,1|1,0,0]=3 4624 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,1,0,0,0,1|0,0,0]=2 4625 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,1,0,0,0,1|0,0,0]=2 4626 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,1,0,0,0,1|2,0,0]=4 4627 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,1,0,0,0,1|2,0,0]=4 4628 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016084084_100016990269 [0,1,0,0,0,1|1,0,0]=3 4629 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016990269_100016084084 [0,1,0,0,0,1|1,0,0]=3 4630 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,1,0,0,0,1|2,0,0]=4 4631 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,1,0,0,0,1|2,0,0]=4 4632 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016084084_100016995436 [0,1,0,0,0,1|1,0,0]=3 4633 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016995436_100016084084 [0,1,0,0,0,1|1,0,0]=3 4634 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100000703007_100016084084 [0,1,0,0,0,1|1,0,0]=3 4635 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100016084084_100000703007 [0,1,0,0,0,1|1,0,0]=3 4636 B12R1.27 N#CC(F)SCc1ccccn1 62a_100000721315_200000117898 [0,1,0,0,0,1|1,0,1]=4 4637 B12R1.27 N#CC(F)SCc1ccccn1 62a_200000117898_100000721315 [0,1,0,0,0,1|1,0,1]=4 4638 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,1|1,0,1]=4 4639 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,1,0,0,0,1|1,0,1]=4 4640 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,1,0,0,0,1|1,0,1]=4 4641 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,1|1,0,1]=4 4642 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,1|1,0,1]=4 4643 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,1|1,0,1]=4 4644 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,1,0,0,0,1|2,0,0]=4 4645 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,1,0,0,0,1|2,0,0]=4 4646 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,1,0,0,0,1|2,0,0]=4 4647 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,1,0,0,0,1|2,0,0]=4 4648 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,1,0,0,0,1|2,0,0]=4 4649 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,1,0,0,0,1|1,0,0]=3 4650 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,1,0,0,0,1|1,0,0]=3 4651 B12R1.27 OCC(O)CSc1cccnn1 62a_100011219619_100016991348 [0,1,0,0,0,1|2,0,0]=4 4652 B12R1.27 OCC(O)CSc1cccnn1 62a_100016991348_100011219619 [0,1,0,0,0,1|2,0,0]=4 4653 B12R1.27 OCC(O)CSc1ccncn1 62a_100000703185_100011219619 [0,1,0,0,0,1|2,0,0]=4 4654 B12R1.27 OCC(O)CSc1ccncn1 62a_100011219619_100000703185 [0,1,0,0,0,1|2,0,0]=4 4655 B12R1.27 OCC(O)CSc1cnccn1 62a_100000211759_100011219619 [0,1,0,0,0,1|2,0,0]=4 4656 B12R1.27 OCC(O)CSc1cnccn1 62a_100011219619_100000211759 [0,1,0,0,0,1|2,0,0]=4 4657 B12R1.27 OCC(O)CSc1ncccn1 62a_100000211032_100011219619 [0,1,0,0,0,1|2,0,0]=4 4658 B12R1.27 OCC(O)CSc1ncccn1 62a_100011219619_100000211032 [0,1,0,0,0,1|2,0,0]=4 4659 B12R1.27 OC[C@@H](O)CNc1cccnn1 27a_100020644852_100016991348 [0,1,0,0,0,1|2,0,0]=4 4660 B12R1.27 OC[C@@H](O)CNc1ccncn1 27a_100020644852_100000703185 [0,1,0,0,0,1|2,0,0]=4 4661 B12R1.27 OC[C@@H](O)CNc1cnccn1 27a_100020644852_100000211759 [0,1,0,0,0,1|2,0,0]=4 4662 B12R1.27 OC[C@@H](O)CNc1ncccn1 27a_100020644852_100000211032 [0,1,0,0,0,1|2,0,0]=4 4663 B12R1.27 OC[C@H](F)CNc1cccnn1 27a_100015665980_100016991348 [0,1,0,0,0,1|2,0,0]=4 4664 B12R1.27 OC[C@H](F)CNc1ccncn1 27a_100015665980_100000703185 [0,1,0,0,0,1|2,0,0]=4 4665 B12R1.27 OC[C@H](F)CNc1cnccn1 27a_100015665980_100000211759 [0,1,0,0,0,1|2,0,0]=4 4666 B12R1.27 OC[C@H](F)CNc1ncccn1 27a_100015665980_100000211032 [0,1,0,0,0,1|2,0,0]=4 4667 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,1,0,0,0,1|2,0,0]=4 4668 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,1,0,0,0,1|2,0,0]=4 4669 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,1,0,0,0,1|2,0,0]=4 4670 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,1,0,0,0,1|2,0,0]=4 4671 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,1,0,0,0,1|2,0,0]=4 4672 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,1,0,0,0,1|1,0,0]=3 4673 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,1,0,0,0,1|1,0,0]=3 4674 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100009815848_100016991348 [0,1,0,0,0,1|2,0,0]=4 4675 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100016991348_100009815848 [0,1,0,0,0,1|2,0,0]=4 4676 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100000703185_100009815848 [0,1,0,0,0,1|2,0,0]=4 4677 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100009815848_100000703185 [0,1,0,0,0,1|2,0,0]=4 4678 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100000211759_100009815848 [0,1,0,0,0,1|2,0,0]=4 4679 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100009815848_100000211759 [0,1,0,0,0,1|2,0,0]=4 4680 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100000211032_100009815848 [0,1,0,0,0,1|2,0,0]=4 4681 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100009815848_100000211032 [0,1,0,0,0,1|2,0,0]=4 4682 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,1,0,0,0,1|2,0,0]=4 4683 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,1,0,0,0,1|2,0,0]=4 4684 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,1,0,0,0,1|2,0,0]=4 4685 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,1,0,0,0,1|2,0,0]=4 4686 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,1,0,0,0,1|2,0,0]=4 4687 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,1,0,0,0,1|1,0,0]=3 4688 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,1,0,0,0,1|1,0,0]=3 4689 B12R1.27 O[C@@H](CF)CSc1cccnn1 62a_100015614560_100016991348 [0,1,0,0,0,1|2,0,0]=4 4690 B12R1.27 O[C@@H](CF)CSc1cccnn1 62a_100016991348_100015614560 [0,1,0,0,0,1|2,0,0]=4 4691 B12R1.27 O[C@@H](CF)CSc1ccncn1 62a_100000703185_100015614560 [0,1,0,0,0,1|2,0,0]=4 4692 B12R1.27 O[C@@H](CF)CSc1ccncn1 62a_100015614560_100000703185 [0,1,0,0,0,1|2,0,0]=4 4693 B12R1.27 O[C@@H](CF)CSc1cnccn1 62a_100000211759_100015614560 [0,1,0,0,0,1|2,0,0]=4 4694 B12R1.27 O[C@@H](CF)CSc1cnccn1 62a_100015614560_100000211759 [0,1,0,0,0,1|2,0,0]=4 4695 B12R1.27 O[C@@H](CF)CSc1ncccn1 62a_100000211032_100015614560 [0,1,0,0,0,1|2,0,0]=4 4696 B12R1.27 O[C@@H](CF)CSc1ncccn1 62a_100015614560_100000211032 [0,1,0,0,0,1|2,0,0]=4 4697 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,1,0,0,0,1|0,0,2]=4 4698 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|1,0,1]=4 4699 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,1|1,0,1]=4 4700 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,1|1,0,1]=4 4701 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,1|1,0,1]=4 4702 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,1|1,0,1]=4 4703 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,1|1,0,1]=4 4704 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,1|1,0,1]=4 4705 B12R1.43 CC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000210206 [0,1,0,0,0,1|2,0,0]=4 4706 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,1|1,0,0]=3 4707 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,1,0,0,0,1|0,0,0]=2 4708 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,1,0,0,0,1|0,0,0]=2 4709 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,1,0,0,0,1|2,0,0]=4 4710 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,1,0,0,0,1|2,0,0]=4 4711 B12R1.43 CC(C)C(=O)Cc1cccnn1 1458a_100000210198_100016990269 [0,1,0,0,0,1|1,0,0]=3 4712 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [0,1,0,0,0,1|2,0,0]=4 4713 B12R1.43 CC(C)C(=O)Cc1cnccn1 1458a_100000210198_100016995436 [0,1,0,0,0,1|1,0,0]=3 4714 B12R1.43 CC(C)C(=O)Cc1ncccn1 1458a_100000210198_100000703007 [0,1,0,0,0,1|1,0,0]=3 4715 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,0,0,0,1|1,0,1]=4 4716 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,0,0,0,1|1,0,1]=4 4717 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,0,0,0,1|1,0,1]=4 4718 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,0,0,0,1|1,0,1]=4 4719 B12R1.43 CC(C)C(C)Nc1cccnn1 27a_100000211541_100016991348 [0,1,0,0,0,1|1,0,0]=3 4720 B12R1.43 CC(C)C(C)Nc1ccncn1 27a_100000211541_100000703185 [0,1,0,0,0,1|1,0,0]=3 4721 B12R1.43 CC(C)C(C)Nc1cnccn1 27a_100000211541_100000211759 [0,1,0,0,0,1|1,0,0]=3 4722 B12R1.43 CC(C)C(C)Nc1ncccn1 27a_100000211541_100000211032 [0,1,0,0,0,1|1,0,0]=3 4723 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,1,0,0,0,1|1,0,0]=3 4724 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,1,0,0,0,1|1,0,0]=3 4725 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,1,0,0,0,1|1,0,0]=3 4726 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,1,0,0,0,1|1,0,0]=3 4727 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,1,0,0,0,1|1,0,0]=3 4728 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,1,0,0,0,1|1,0,0]=3 4729 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000200191_200000210301 [0,1,0,0,0,1|0,0,0]=2 4730 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000207498_100000210206 [0,1,0,0,0,1|0,0,0]=2 4731 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000200191_200000210301 [0,1,0,0,0,1|0,0,0]=2 4732 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000207498_100000210206 [0,1,0,0,0,1|0,0,0]=2 4733 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_200000211004_100000721315 [0,1,0,0,0,1|0,0,0]=2 4734 B12R1.43 CC(C)N(C)Cc1ccccn1 270004a_200000211004_100000209966 [0,1,0,0,0,1|0,0,0]=2 4735 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000184577_100000210206 [0,1,0,0,0,1|2,0,0]=4 4736 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000200193_200000210301 [0,1,0,0,0,1|2,0,0]=4 4737 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000184577_100000210206 [0,1,0,0,0,1|2,0,0]=4 4738 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000200193_200000210301 [0,1,0,0,0,1|2,0,0]=4 4739 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_200000211004_100000733263 [0,1,0,0,0,1|2,0,0]=4 4740 B12R1.43 CC(C)N(C)Cc1cccnc1 270004a_200000211004_100000209961 [0,1,0,0,0,1|2,0,0]=4 4741 B12R1.43 CC(C)N(C)Cc1ccncc1 2230a_100000187231_100000210206 [0,1,0,0,0,1|2,0,0]=4 4742 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_100000187231_100000210206 [0,1,0,0,0,1|2,0,0]=4 4743 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_200000211004_100015193705 [0,1,0,0,0,1|2,0,0]=4 4744 B12R1.43 CC(C)N(C)Cc1cnccn1 2230a_100011269079_100000210206 [0,1,0,0,0,1|1,0,0]=3 4745 B12R1.43 CC(C)N(C)Cc1cnccn1 269982a_100011269079_100000210206 [0,1,0,0,0,1|1,0,0]=3 4746 B12R1.43 CC(C)N(C)Cc1cnccn1 269982a_200000211004_100016995436 [0,1,0,0,0,1|1,0,0]=3 4747 B12R1.43 CC(C)N(C)Cc1cnccn1 270004a_200000211004_100000749867 [0,1,0,0,0,1|1,0,0]=3 4748 B12R1.43 CC(C)N(C)Cc1ncccn1 2230a_100025716638_100000210206 [0,1,0,0,0,1|1,0,0]=3 4749 B12R1.43 CC(C)N(C)Cc1ncccn1 269982a_100025716638_100000210206 [0,1,0,0,0,1|1,0,0]=3 4750 B12R1.43 CC(C)N(C)Cc1ncccn1 269982a_200000211004_100000703007 [0,1,0,0,0,1|1,0,0]=3 4751 B12R1.43 CC(C)N(C)Cc1ncccn1 270004a_200000211004_100011532527 [0,1,0,0,0,1|1,0,0]=3 4752 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,1,0,0,0,1|1,0,0]=3 4753 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,1,0,0,0,1|1,0,0]=3 4754 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 2230a_100000200191_200025704644 [0,1,0,0,0,1|0,0,0]=2 4755 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 269982a_100000200191_200025704644 [0,1,0,0,0,1|0,0,0]=2 4756 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 2230a_100000200193_200025704644 [0,1,0,0,0,1|2,0,0]=4 4757 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 269982a_100000200193_200025704644 [0,1,0,0,0,1|2,0,0]=4 4758 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,1,0,0,0,1|2,0,0]=4 4759 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|1,0,1]=4 4760 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [0,1,0,0,0,1|1,0,0]=3 4761 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [0,1,0,0,0,1|1,0,0]=3 4762 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [0,1,0,0,0,1|1,0,0]=3 4763 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [0,1,0,0,0,1|1,0,0]=3 4764 B12R1.43 CC(Cc1cnccn1)N(C)C 270004a_100102631434_100015184882 [0,1,0,0,0,1|2,0,0]=4 4765 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,1|2,0,0]=4 4766 B12R1.43 CC(F)C(=O)Cc1ccccn1 1458a_100000062450_100000721315 [0,1,0,0,0,1|1,0,0]=3 4767 B12R1.43 CC(F)C(=O)Cc1cccnn1 1458a_100000062450_100016990269 [0,1,0,0,0,1|2,0,0]=4 4768 B12R1.43 CC(F)C(=O)Cc1cnccn1 1458a_100000062450_100016995436 [0,1,0,0,0,1|2,0,0]=4 4769 B12R1.43 CC(F)C(=O)Cc1ncccn1 1458a_100000062450_100000703007 [0,1,0,0,0,1|2,0,0]=4 4770 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,1|1,0,1]=4 4771 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,1,0,0,0,1|1,0,0]=3 4772 B12R1.43 CN(C)C(=O)Cc1cnccn1 11a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 4773 B12R1.43 CN(C)C(=O)Cc1cnccn1 240690a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 4774 B12R1.43 CN(C)C(=O)Cc1cnccn1 527a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 4775 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,1|2,0,0]=4 4776 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,1|1,0,0]=3 4777 B12R1.43 C[C@@H](O)C(=O)Cc1cccnn1 1458a_100000717761_100016990269 [0,1,0,0,0,1|2,0,0]=4 4778 B12R1.43 C[C@@H](O)C(=O)Cc1cnccn1 1458a_100000717761_100016995436 [0,1,0,0,0,1|2,0,0]=4 4779 B12R1.43 C[C@@H](O)C(=O)Cc1ncccn1 1458a_100000717761_100000703007 [0,1,0,0,0,1|2,0,0]=4 4780 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,1|2,0,0]=4 4781 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,1|1,0,0]=3 4782 B12R1.43 C[C@H](O)C(=O)Cc1cccnn1 1458a_217856618621_100016990269 [0,1,0,0,0,1|2,0,0]=4 4783 B12R1.43 C[C@H](O)C(=O)Cc1cnccn1 1458a_217856618621_100016995436 [0,1,0,0,0,1|2,0,0]=4 4784 B12R1.43 C[C@H](O)C(=O)Cc1ncccn1 1458a_217856618621_100000703007 [0,1,0,0,0,1|2,0,0]=4 4785 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,1,0,0,0,1|2,0,0]=4 4786 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,1|1,0,1]=4 4787 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,0,1|1,0,1]=4 4788 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,0,1|1,0,1]=4 4789 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,0,1|1,0,1]=4 4790 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,0,1|1,0,1]=4 4791 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,1,0,0,0,1|1,0,0]=3 4792 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,1,0,0,0,1|1,0,0]=3 4793 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,1,0,0,0,1|1,0,0]=3 4794 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,1,0,0,0,1|1,0,0]=3 4795 B12R1.107 CC(C)CN(C)c1cccnn1 27a_100000747067_100016991348 [0,1,0,0,0,1|1,0,0]=3 4796 B12R1.107 CC(C)CN(C)c1ccncn1 27a_100000747067_100000703185 [0,1,0,0,0,1|1,0,0]=3 4797 B12R1.107 CC(C)CN(C)c1cnccn1 27a_100000747067_100000211759 [0,1,0,0,0,1|1,0,0]=3 4798 B12R1.107 CC(C)CN(C)c1ncccn1 27a_100000747067_100000211032 [0,1,0,0,0,1|1,0,0]=3 4799 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,1,0,0,0,1|1,0,0]=3 4800 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,1,0,0,0,1|0,0,0]=2 4801 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,1,0,0,0,1|2,0,0]=4 4802 B12R1.107 CC(C)C[C@H](N)c1cccnn1 271570a_100015190218_100016991348 [0,1,0,0,0,1|1,0,0]=3 4803 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,1,0,0,0,1|2,0,0]=4 4804 B12R1.107 CC(C)C[C@H](N)c1ccncn1 271570a_100015190218_100000703185 [0,1,0,0,0,1|1,0,0]=3 4805 B12R1.107 CC(C)C[C@H](N)c1cnccn1 271570a_100015190218_100000758340 [0,1,0,0,0,1|1,0,0]=3 4806 B12R1.107 CC(C)C[C@H](N)c1ncccn1 271570a_100015190218_100000211032 [0,1,0,0,0,1|1,0,0]=3 4807 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,1,0,0,0,1|1,0,1]=4 4808 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,1,0,0,0,1|1,0,1]=4 4809 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,1,0,0,0,1|1,0,1]=4 4810 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,1,0,0,0,1|1,0,1]=4 4811 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,0,0,0,1|1,0,0]=3 4812 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,0,0,0,1|1,0,0]=3 4813 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,1,0,0,0,1|0,0,0]=2 4814 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,1,0,0,0,1|2,0,0]=4 4815 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,1,0,0,0,1|2,0,0]=4 4816 B12R1.107 CC(C)NC(C)c1cnccn1 2230a_100138425928_200000703233 [0,1,0,0,0,1|1,0,0]=3 4817 B12R1.107 CC(C)NC(C)c1ncccn1 2230a_100020641698_100000210206 [0,1,0,0,0,1|1,0,0]=3 4818 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,0,0,0,1|1,0,0]=3 4819 B12R1.107 CC(C)N[C@H](C)c1cnccn1 2230a_100020589798_100000210206 [0,1,0,0,0,1|1,0,0]=3 4820 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,0,0,0,1|1,0,0]=3 4821 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,0,0,0,1|1,0,0]=3 4822 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,0,0,0,1|1,0,0]=3 4823 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,1,0,0,0,1|1,0,0]=3 4824 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,1,0,0,0,1|1,0,0]=3 4825 B12R1.107 CC(C)SC(C)c1cnccn1 62a_100000210206_200000703233 [0,1,0,0,0,1|1,0,0]=3 4826 B12R1.107 CC(C)SC(C)c1cnccn1 62a_200000703233_100000210206 [0,1,0,0,0,1|1,0,0]=3 4827 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,1,0,0,0,1|2,0,0]=4 4828 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,1,0,0,0,1|2,0,0]=4 4829 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,1,0,0,0,1|2,0,0]=4 4830 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,1|2,0,0]=4 4831 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,1,0,0,0,1|2,0,0]=4 4832 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,1,0,0,0,1|2,0,0]=4 4833 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,1,0,0,0,1|2,0,0]=4 4834 B12R1.107 CC(O)CN(C)c1cccnn1 27a_100000227577_100016991348 [0,1,0,0,0,1|2,0,0]=4 4835 B12R1.107 CC(O)CN(C)c1ccncn1 27a_100000227577_100000703185 [0,1,0,0,0,1|2,0,0]=4 4836 B12R1.107 CC(O)CN(C)c1cnccn1 27a_100000227577_100000211759 [0,1,0,0,0,1|2,0,0]=4 4837 B12R1.107 CC(O)CN(C)c1ncccn1 27a_100000227577_100000211032 [0,1,0,0,0,1|2,0,0]=4 4838 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,1,0,0,0,1|2,0,0]=4 4839 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,1,0,0,0,1|1,0,0]=3 4840 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,1,0,0,0,1|2,0,0]=4 4841 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,1,0,0,0,1|2,0,0]=4 4842 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,1,0,0,0,1|2,0,0]=4 4843 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,1,0,0,0,1|2,0,0]=4 4844 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,1,0,0,0,1|2,0,0]=4 4845 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,1,0,0,0,1|2,0,0]=4 4846 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,1,0,0,0,1|2,0,0]=4 4847 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,1,0,0,0,1|2,0,0]=4 4848 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,1,0,0,0,1|2,0,0]=4 4849 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,1,0,0,0,1|2,0,0]=4 4850 B12R1.125 C=C(C)CNc1ncccc1Br 27a_100000765925_100000696092 [0,1,0,0,0,1|0,0,2]=4 4851 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,1,0,0,0,1|0,0,2]=4 4852 B12R1.125 C=C(C)COc1ncccc1F 34a_100011219419_100000748629 [0,1,0,0,0,1|0,0,2]=4 4853 B12R1.125 C=C(C)COc1ncccc1N 34a_100000746358_100000748629 [0,1,0,0,0,1|0,0,2]=4 4854 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000696092_100000211660 [0,1,0,0,0,1|0,0,2]=4 4855 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000748629_100000696092 [0,1,0,0,0,1|0,0,2]=4 4856 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,1,0,0,0,1|0,0,2]=4 4857 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,1,0,0,0,1|0,0,2]=4 4858 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100000748629_100011356963 [0,1,0,0,0,1|0,0,2]=4 4859 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100011356963_100000211660 [0,1,0,0,0,1|0,0,2]=4 4860 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000685392_100000211660 [0,1,0,0,0,1|0,0,2]=4 4861 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000748629_100000685392 [0,1,0,0,0,1|0,0,2]=4 4862 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000688686_100000211660 [0,1,0,0,0,1|0,0,2]=4 4863 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000748629_100000688686 [0,1,0,0,0,1|0,0,2]=4 4864 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000034122_100000211660 [0,1,0,0,0,1|0,0,2]=4 4865 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000748629_100000034122 [0,1,0,0,0,1|0,0,2]=4 4866 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,1,0,0,0,1|1,0,1]=4 4867 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,1,0,0,0,1|1,0,1]=4 4868 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,1,0,0,0,1|1,0,1]=4 4869 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,1,0,0,0,1|1,0,1]=4 4870 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,1,0,0,0,1|1,0,1]=4 4871 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,1,0,0,0,1|1,0,1]=4 4872 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,1,0,0,0,1|1,0,1]=4 4873 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,1,0,0,0,1|1,0,1]=4 4874 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,1,0,0,0,1|1,0,1]=4 4875 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,1,0,0,0,1|1,0,1]=4 4876 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,1,0,0,0,1|1,0,1]=4 4877 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,1,0,0,0,1|1,0,1]=4 4878 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,1,0,0,0,1|1,0,1]=4 4879 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,1,0,0,0,1|1,0,1]=4 4880 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,1,0,0,0,1|1,0,1]=4 4881 B12R1.125 CC(C)C=Cc1cccc[n+]1C 271570a_100016257149_100000212160 [0,1,0,0,0,1|0,0,2]=4 4882 B12R1.125 CC(C)C=Cc1cccc[n+]1[O-] 271570a_100016257149_200000042595 [0,1,0,0,0,1|0,0,2]=4 4883 B12R1.125 CC(C)C=Cc1ccccc1Br 271570a_100016257149_100000695589 [0,1,0,0,0,1|1,0,1]=4 4884 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [0,1,0,0,0,1|1,0,1]=4 4885 B12R1.125 CC(C)C=Cc1ccccc1F 271570a_100016257149_100011215700 [0,1,0,0,0,1|1,0,1]=4 4886 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [0,1,0,0,0,1|1,0,1]=4 4887 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,1,0,0,0,1|1,0,1]=4 4888 B12R1.125 CC(C)C=Cc1ncc[nH]c1=O 271570a_100016257149_100000763361 [0,1,0,0,0,1|1,0,1]=4 4889 B12R1.125 CC(C)C=Cc1ncccc1Br 271570a_100016257149_100000696092 [0,1,0,0,0,1|0,0,1]=3 4890 B12R1.125 CC(C)C=Cc1ncccc1Cl 271570a_100016257149_100011356963 [0,1,0,0,0,1|0,0,1]=3 4891 B12R1.125 CC(C)C=Cc1ncccc1F 271570a_100016257149_100000685392 [0,1,0,0,0,1|0,0,1]=3 4892 B12R1.125 CC(C)C=Cc1ncccc1N 271570a_100016257149_100000688686 [0,1,0,0,0,1|0,0,1]=3 4893 B12R1.125 CC(C)C=Cc1ncccc1O 271570a_100016257149_100000034122 [0,1,0,0,0,1|0,0,1]=3 4894 B12R1.125 CC(C)C=Cc1nccnc1F 271570a_100016257149_200010125657 [0,1,0,0,0,1|1,0,1]=4 4895 B12R1.125 CC(C)C=Cc1nccnc1N 271570a_100016257149_100000747729 [0,1,0,0,0,1|1,0,1]=4 4896 B12R1.125 CC(C)C=Cc1ncncc1F 271570a_100016257149_100000069762 [0,1,0,0,0,1|1,0,1]=4 4897 B12R1.125 CC(C)C=Cc1ncncc1N 271570a_100016257149_100000709731 [0,1,0,0,0,1|1,0,1]=4 4898 B12R1.125 CC(C)CCc1ncncc1O 271570a_203496583355_200009816994 [0,1,0,0,0,1|1,0,0]=3 4899 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,1,0,0,0,1|1,0,0]=3 4900 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,1,0,0,0,1|1,0,0]=3 4901 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,1,0,0,0,1|1,0,0]=3 4902 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,1,0,0,0,1|1,0,0]=3 4903 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,1,0,0,0,1|1,0,0]=3 4904 B12R1.125 CC(C)CNc1ccncc1Br 27a_100000210953_100000726257 [0,1,0,0,0,1|2,0,0]=4 4905 B12R1.125 CC(C)CNc1ccncc1F 27a_100000210953_100000035921 [0,1,0,0,0,1|2,0,0]=4 4906 B12R1.125 CC(C)CNc1ncccc1Br 27a_100000210953_100000696092 [0,1,0,0,0,1|0,0,0]=2 4907 B12R1.125 CC(C)CNc1nccnc1F 27a_100000210953_200010125657 [0,1,0,0,0,1|1,0,0]=3 4908 B12R1.125 CC(C)CNc1ncncc1F 27a_100000210953_100000069762 [0,1,0,0,0,1|1,0,0]=3 4909 B12R1.125 CC(C)CNc1ncncc1N 27a_100000210953_100000709731 [0,1,0,0,0,1|1,0,0]=3 4910 B12R1.125 CC(C)COc1cccc[n+]1[O-] 7a_100000211761_100000210760 [0,1,0,0,0,1|0,0,1]=3 4911 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,1,0,0,0,1|1,0,0]=3 4912 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,1,0,0,0,1|1,0,0]=3 4913 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,1,0,0,0,1|1,0,0]=3 4914 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,1,0,0,0,1|1,0,0]=3 4915 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,1,0,0,0,1|1,0,0]=3 4916 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,1,0,0,0,1|1,0,0]=3 4917 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,1,0,0,0,1|1,0,0]=3 4918 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,1,0,0,0,1|1,0,0]=3 4919 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,1,0,0,0,1|1,0,0]=3 4920 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,1,0,0,0,1|1,0,0]=3 4921 B12R1.125 CC(C)COc1cccnc1Br 34a_100000744436_100000210624 [0,1,0,0,0,1|2,0,0]=4 4922 B12R1.125 CC(C)COc1cccnc1Br 7a_100000744436_100000210760 [0,1,0,0,0,1|2,0,0]=4 4923 B12R1.125 CC(C)COc1cccnc1Cl 34a_100000757616_100000210624 [0,1,0,0,0,1|2,0,0]=4 4924 B12R1.125 CC(C)COc1cccnc1Cl 7a_100000757616_100000210760 [0,1,0,0,0,1|2,0,0]=4 4925 B12R1.125 CC(C)COc1cccnc1F 34a_100000061740_100000210624 [0,1,0,0,0,1|2,0,0]=4 4926 B12R1.125 CC(C)COc1cccnc1F 7a_100000061740_100000210760 [0,1,0,0,0,1|2,0,0]=4 4927 B12R1.125 CC(C)COc1cccnc1I 34a_100000034122_100000210624 [0,1,0,0,0,1|2,0,0]=4 4928 B12R1.125 CC(C)COc1cccnc1I 7a_100000034122_100000210760 [0,1,0,0,0,1|2,0,0]=4 4929 B12R1.125 CC(C)COc1cccnc1N 34a_100000211975_100000210624 [0,1,0,0,0,1|2,0,0]=4 4930 B12R1.125 CC(C)COc1cccnc1N 7a_100000211975_100000210760 [0,1,0,0,0,1|2,0,0]=4 4931 B12R1.125 CC(C)COc1cccoc1=O 34a_100000077404_100000210624 [0,1,0,0,0,1|2,0,0]=4 4932 B12R1.125 CC(C)COc1cccoc1=O 7a_100000077404_100000210760 [0,1,0,0,0,1|2,0,0]=4 4933 B12R1.125 CC(C)COc1ccncc1Br 34a_100011996408_100000210624 [0,1,0,0,0,1|2,0,0]=4 4934 B12R1.125 CC(C)COc1ccncc1Cl 34a_100011997054_100000210624 [0,1,0,0,0,1|2,0,0]=4 4935 B12R1.125 CC(C)COc1ccncc1F 34a_200000081243_100000210624 [0,1,0,0,0,1|2,0,0]=4 4936 B12R1.125 CC(C)COc1cnccc1Cl 34a_100011996695_100000210624 [0,1,0,0,0,1|2,0,0]=4 4937 B12R1.125 CC(C)COc1cnccc1I 34a_100000050107_100000210624 [0,1,0,0,0,1|2,0,0]=4 4938 B12R1.125 CC(C)COc1cnccc1N 34a_100000753702_100000210624 [0,1,0,0,0,1|2,0,0]=4 4939 B12R1.125 CC(C)COc1coccc1=O 34a_100000060831_100000210624 [0,1,0,0,0,1|2,0,0]=4 4940 B12R1.125 CC(C)COc1ncccc1Cl 34a_100011290957_100000210624 [0,1,0,0,0,1|0,0,0]=2 4941 B12R1.125 CC(C)COc1ncccc1F 34a_100011219419_100000210624 [0,1,0,0,0,1|0,0,0]=2 4942 B12R1.125 CC(C)COc1ncccc1N 34a_100000746358_100000210624 [0,1,0,0,0,1|0,0,0]=2 4943 B12R1.125 CC(C)CSc1c[nH]ccc1=O 62a_100000210624_100009998708 [0,1,0,0,0,1|2,0,0]=4 4944 B12R1.125 CC(C)CSc1c[nH]ccc1=O 62a_100009998708_100000210760 [0,1,0,0,0,1|2,0,0]=4 4945 B12R1.125 CC(C)CSc1c[nH]ccc1=S 62a_100000210624_200012280681 [0,1,0,0,0,1|2,0,0]=4 4946 B12R1.125 CC(C)CSc1c[nH]ccc1=S 62a_200012280681_100000210760 [0,1,0,0,0,1|2,0,0]=4 4947 B12R1.125 CC(C)CSc1cccc[n+]1C 62a_100000210624_100000212160 [0,1,0,0,0,1|0,0,1]=3 4948 B12R1.125 CC(C)CSc1cccc[n+]1[O-] 62a_100000210624_200000042595 [0,1,0,0,0,1|0,0,1]=3 4949 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [0,1,0,0,0,1|1,0,0]=3 4950 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [0,1,0,0,0,1|1,0,0]=3 4951 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [0,1,0,0,0,1|1,0,0]=3 4952 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [0,1,0,0,0,1|1,0,0]=3 4953 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [0,1,0,0,0,1|1,0,0]=3 4954 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [0,1,0,0,0,1|1,0,0]=3 4955 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [0,1,0,0,0,1|1,0,0]=3 4956 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [0,1,0,0,0,1|1,0,0]=3 4957 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,1,0,0,0,1|1,0,0]=3 4958 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,1,0,0,0,1|1,0,0]=3 4959 B12R1.125 CC(C)CSc1cccnc1Br 62a_100000210624_100010202626 [0,1,0,0,0,1|2,0,0]=4 4960 B12R1.125 CC(C)CSc1cccnc1Br 62a_100010202626_100000210760 [0,1,0,0,0,1|2,0,0]=4 4961 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000036424_100000210760 [0,1,0,0,0,1|2,0,0]=4 4962 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000210624_100000036424 [0,1,0,0,0,1|2,0,0]=4 4963 B12R1.125 CC(C)CSc1cccnc1F 62a_100000210624_100009816115 [0,1,0,0,0,1|2,0,0]=4 4964 B12R1.125 CC(C)CSc1cccnc1F 62a_100009816115_100000210760 [0,1,0,0,0,1|2,0,0]=4 4965 B12R1.125 CC(C)CSc1cccnc1N 62a_100000045569_100000210760 [0,1,0,0,0,1|2,0,0]=4 4966 B12R1.125 CC(C)CSc1cccnc1N 62a_100000210624_100000045569 [0,1,0,0,0,1|2,0,0]=4 4967 B12R1.125 CC(C)CSc1cccnc1O 62a_100000210624_100000760158 [0,1,0,0,0,1|2,0,0]=4 4968 B12R1.125 CC(C)CSc1cccnc1O 62a_100000760158_100000210760 [0,1,0,0,0,1|2,0,0]=4 4969 B12R1.125 CC(C)CSc1ccncc1Br 62a_100000210624_100000726257 [0,1,0,0,0,1|2,0,0]=4 4970 B12R1.125 CC(C)CSc1ccncc1Br 62a_100000726257_100000210760 [0,1,0,0,0,1|2,0,0]=4 4971 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000210624_100000708259 [0,1,0,0,0,1|2,0,0]=4 4972 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000708259_100000210760 [0,1,0,0,0,1|2,0,0]=4 4973 B12R1.125 CC(C)CSc1ccncc1F 62a_100000047030_100000210760 [0,1,0,0,0,1|2,0,0]=4 4974 B12R1.125 CC(C)CSc1ccncc1F 62a_100000210624_100000047030 [0,1,0,0,0,1|2,0,0]=4 4975 B12R1.125 CC(C)CSc1ccncc1N 62a_100000210624_100000756074 [0,1,0,0,0,1|2,0,0]=4 4976 B12R1.125 CC(C)CSc1ccncc1N 62a_100000756074_100000210760 [0,1,0,0,0,1|2,0,0]=4 4977 B12R1.125 CC(C)CSc1ccncc1O 62a_100000210624_100009817591 [0,1,0,0,0,1|2,0,0]=4 4978 B12R1.125 CC(C)CSc1ccncc1O 62a_100009817591_100000210760 [0,1,0,0,0,1|2,0,0]=4 4979 B12R1.125 CC(C)CSc1cnccc1Br 62a_100000210624_100010138639 [0,1,0,0,0,1|2,0,0]=4 4980 B12R1.125 CC(C)CSc1cnccc1Br 62a_100010138639_100000210760 [0,1,0,0,0,1|2,0,0]=4 4981 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100000210624_100009995489 [0,1,0,0,0,1|2,0,0]=4 4982 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100009995489_100000210760 [0,1,0,0,0,1|2,0,0]=4 4983 B12R1.125 CC(C)CSc1cnccc1F 62a_100000210624_100009820683 [0,1,0,0,0,1|2,0,0]=4 4984 B12R1.125 CC(C)CSc1cnccc1F 62a_100009820683_100000210760 [0,1,0,0,0,1|2,0,0]=4 4985 B12R1.125 CC(C)CSc1cnccc1N 62a_100000047001_100000210760 [0,1,0,0,0,1|2,0,0]=4 4986 B12R1.125 CC(C)CSc1cnccc1N 62a_100000210624_100000047001 [0,1,0,0,0,1|2,0,0]=4 4987 B12R1.125 CC(C)CSc1ncc[nH]c1=O 62a_100000210624_100000763361 [0,1,0,0,0,1|1,0,0]=3 4988 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000210624_100000696092 [0,1,0,0,0,1|0,0,0]=2 4989 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000696092_100000210760 [0,1,0,0,0,1|0,0,0]=2 4990 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100000210624_100011356963 [0,1,0,0,0,1|0,0,0]=2 4991 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100011356963_100000210760 [0,1,0,0,0,1|0,0,0]=2 4992 B12R1.125 CC(C)CSc1ncccc1F 62a_100000210624_100000685392 [0,1,0,0,0,1|0,0,0]=2 4993 B12R1.125 CC(C)CSc1ncccc1F 62a_100000685392_100000210760 [0,1,0,0,0,1|0,0,0]=2 4994 B12R1.125 CC(C)CSc1ncccc1N 62a_100000210624_100000688686 [0,1,0,0,0,1|0,0,0]=2 4995 B12R1.125 CC(C)CSc1ncccc1N 62a_100000688686_100000210760 [0,1,0,0,0,1|0,0,0]=2 4996 B12R1.125 CC(C)CSc1ncccc1O 62a_100000034122_100000210760 [0,1,0,0,0,1|0,0,0]=2 4997 B12R1.125 CC(C)CSc1ncccc1O 62a_100000210624_100000034122 [0,1,0,0,0,1|0,0,0]=2 4998 B12R1.125 CC(C)CSc1nccnc1Cl 62a_100000210624_100010886584 [0,1,0,0,0,1|1,0,0]=3 4999 B12R1.125 CC(C)CSc1nccnc1Cl 62a_100010886584_100000210760 [0,1,0,0,0,1|1,0,0]=3 5000 B12R1.125 CC(C)CSc1nccnc1F 62a_100000210624_200010125657 [0,1,0,0,0,1|1,0,0]=3 5001 B12R1.125 CC(C)CSc1nccnc1F 62a_200010125657_100000210760 [0,1,0,0,0,1|1,0,0]=3 5002 B12R1.125 CC(C)CSc1nccnc1N 62a_100000210624_100000747729 [0,1,0,0,0,1|1,0,0]=3 5003 B12R1.125 CC(C)CSc1nccnc1N 62a_100000747729_100000210760 [0,1,0,0,0,1|1,0,0]=3 5004 B12R1.125 CC(C)CSc1ncncc1F 62a_100000069762_100000210760 [0,1,0,0,0,1|1,0,0]=3 5005 B12R1.125 CC(C)CSc1ncncc1F 62a_100000210624_100000069762 [0,1,0,0,0,1|1,0,0]=3 5006 B12R1.125 CC(C)CSc1ncncc1N 62a_100000210624_100000709731 [0,1,0,0,0,1|1,0,0]=3 5007 B12R1.125 CC(C)CSc1ncncc1N 62a_100000709731_100000210760 [0,1,0,0,0,1|1,0,0]=3 5008 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,1,0,0,0,1|1,0,0]=3 5009 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,1,0,0,0,1|1,0,0]=3 5010 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,1,0,0,0,1|1,0,0]=3 5011 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,1,0,0,0,1|1,0,0]=3 5012 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,1,0,0,0,1|1,0,0]=3 5013 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,1,0,0,0,1|1,0,0]=3 5014 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,1,0,0,0,1|1,0,0]=3 5015 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,1,0,0,0,1|1,0,0]=3 5016 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,1,0,0,0,1|1,0,0]=3 5017 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,1,0,0,0,1|1,0,0]=3 5018 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,1,0,0,0,1|1,0,0]=3 5019 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,1,0,0,0,1|1,0,0]=3 5020 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,1,0,0,0,1|1,0,0]=3 5021 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,1,0,0,0,1|1,0,0]=3 5022 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,1,0,0,0,1|1,0,0]=3 5023 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,1,0,0,0,1|1,0,0]=3 5024 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,1,0,0,0,1|1,0,0]=3 5025 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,1,0,0,0,1|1,0,0]=3 5026 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,1,0,0,0,1|1,0,0]=3 5027 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100009818023_100000210206 [0,1,0,0,0,1|2,0,0]=4 5028 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100138425928_100010140945 [0,1,0,0,0,1|2,0,0]=4 5029 B12R1.125 CC(C)NCc1cccnc1Br 34a_100009818023_100000210206 [0,1,0,0,0,1|2,0,0]=4 5030 B12R1.125 CC(C)NCc1cccnc1Br 34a_100138425928_100010140945 [0,1,0,0,0,1|2,0,0]=4 5031 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100015189234_100000210206 [0,1,0,0,0,1|2,0,0]=4 5032 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100138425928_100000045678 [0,1,0,0,0,1|2,0,0]=4 5033 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100015189234_100000210206 [0,1,0,0,0,1|2,0,0]=4 5034 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100138425928_100000045678 [0,1,0,0,0,1|2,0,0]=4 5035 B12R1.125 CC(C)NCc1cccnc1F 2230a_100138425928_100000099810 [0,1,0,0,0,1|2,0,0]=4 5036 B12R1.125 CC(C)NCc1cccnc1F 34a_100000724633_100000210206 [0,1,0,0,0,1|2,0,0]=4 5037 B12R1.125 CC(C)NCc1cccnc1F 34a_100138425928_100000099810 [0,1,0,0,0,1|2,0,0]=4 5038 B12R1.125 CC(C)NCc1cccnc1O 207a_100138425928_100011998315 [0,1,0,0,0,1|2,0,0]=4 5039 B12R1.125 CC(C)NCc1ccncc1Cl 207a_100138425928_100011934409 [0,1,0,0,0,1|2,0,0]=4 5040 B12R1.125 CC(C)NCc1ccncc1Cl 2230a_100138425928_100000763264 [0,1,0,0,0,1|2,0,0]=4 5041 B12R1.125 CC(C)NCc1ccncc1F 34a_100011935246_100000210206 [0,1,0,0,0,1|2,0,0]=4 5042 B12R1.125 CC(C)NCc1ncccc1Br 207a_100138425928_100011934733 [0,1,0,0,0,1|0,0,0]=2 5043 B12R1.125 CC(C)NCc1ncccc1Br 2230a_100138425928_100025702911 [0,1,0,0,0,1|0,0,0]=2 5044 B12R1.125 CC(C)NCc1ncccc1Br 34a_100138425928_100025702911 [0,1,0,0,0,1|0,0,0]=2 5045 B12R1.125 CC(C)NCc1ncccc1Cl 207a_100138425928_100012001307 [0,1,0,0,0,1|0,0,0]=2 5046 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100015189233_100000210206 [0,1,0,0,0,1|0,0,0]=2 5047 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100138425928_100000099807 [0,1,0,0,0,1|0,0,0]=2 5048 B12R1.125 CC(C)NCc1ncccc1F 207a_100138425928_100011934734 [0,1,0,0,0,1|0,0,0]=2 5049 B12R1.125 CC(C)NCc1ncccc1F 2230a_100138425928_100000104219 [0,1,0,0,0,1|0,0,0]=2 5050 B12R1.125 CC(C)NCc1ncccc1F 34a_100000690088_100000210206 [0,1,0,0,0,1|0,0,0]=2 5051 B12R1.125 CC(C)NCc1ncccc1F 34a_100138425928_100000104219 [0,1,0,0,0,1|0,0,0]=2 5052 B12R1.125 CC(C)NCc1ncccc1O 34a_100138425928_200020655725 [0,1,0,0,0,1|0,0,0]=2 5053 B12R1.125 CC(C)NCc1nccnc1Cl 2230a_100000729963_100000210206 [0,1,0,0,0,1|1,0,0]=3 5054 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,1,0,0,0,1|1,0,0]=3 5055 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,1,0,0,0,1|1,0,0]=3 5056 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,1,0,0,0,1|1,0,0]=3 5057 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,1,0,0,0,1|1,0,0]=3 5058 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,1,0,0,0,1|1,0,0]=3 5059 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,1,0,0,0,1|1,0,0]=3 5060 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,1,0,0,0,1|1,0,0]=3 5061 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,1,0,0,0,1|1,0,0]=3 5062 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,1,0,0,0,1|1,0,0]=3 5063 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,1,0,0,0,1|1,0,0]=3 5064 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,1,0,0,0,1|1,0,0]=3 5065 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,1,0,0,0,1|1,0,0]=3 5066 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,1,0,0,0,1|1,0,0]=3 5067 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000212225_100010140945 [0,1,0,0,0,1|2,0,0]=4 5068 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000719692_100000210206 [0,1,0,0,0,1|2,0,0]=4 5069 B12R1.125 CC(C)OCc1cccnc1Br 7a_100000719692_100000210206 [0,1,0,0,0,1|2,0,0]=4 5070 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000212225_100000045678 [0,1,0,0,0,1|2,0,0]=4 5071 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000748726_100000210206 [0,1,0,0,0,1|2,0,0]=4 5072 B12R1.125 CC(C)OCc1cccnc1Cl 7a_100000748726_100000210206 [0,1,0,0,0,1|2,0,0]=4 5073 B12R1.125 CC(C)OCc1cccnc1F 34a_100000079888_100000210206 [0,1,0,0,0,1|2,0,0]=4 5074 B12R1.125 CC(C)OCc1cccnc1F 34a_100000212225_100000099810 [0,1,0,0,0,1|2,0,0]=4 5075 B12R1.125 CC(C)OCc1cccnc1F 7a_100000079888_100000210206 [0,1,0,0,0,1|2,0,0]=4 5076 B12R1.125 CC(C)OCc1ccncc1F 34a_100012172863_100000210206 [0,1,0,0,0,1|2,0,0]=4 5077 B12R1.125 CC(C)OCc1cnccc1Cl 34a_100000117392_100000210206 [0,1,0,0,0,1|2,0,0]=4 5078 B12R1.125 CC(C)OCc1ncccc1Br 34a_100000212225_100025702911 [0,1,0,0,0,1|0,0,0]=2 5079 B12R1.125 CC(C)OCc1ncccc1Br 34a_100011996772_100000210206 [0,1,0,0,0,1|0,0,0]=2 5080 B12R1.125 CC(C)OCc1ncccc1Cl 34a_100012002383_100000210206 [0,1,0,0,0,1|0,0,0]=2 5081 B12R1.125 CC(C)OCc1ncccc1F 34a_100000212225_100000104219 [0,1,0,0,0,1|0,0,0]=2 5082 B12R1.125 CC(C)OCc1ncccc1F 34a_100011934865_100000210206 [0,1,0,0,0,1|0,0,0]=2 5083 B12R1.125 CC(C)OCc1ncccc1N 34a_114873767017_100000210206 [0,1,0,0,0,1|0,0,0]=2 5084 B12R1.125 CC(C)OCc1ncccc1O 34a_100000212225_200020655725 [0,1,0,0,0,1|0,0,0]=2 5085 B12R1.125 CC(C)OCc1nccnc1Cl 34a_100000057004_100000210206 [0,1,0,0,0,1|1,0,0]=3 5086 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [0,1,0,0,0,1|1,0,0]=3 5087 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [0,1,0,0,0,1|1,0,0]=3 5088 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [0,1,0,0,0,1|1,0,0]=3 5089 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [0,1,0,0,0,1|1,0,0]=3 5090 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [0,1,0,0,0,1|1,0,0]=3 5091 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [0,1,0,0,0,1|1,0,0]=3 5092 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [0,1,0,0,0,1|1,0,0]=3 5093 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [0,1,0,0,0,1|1,0,0]=3 5094 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,1,0,0,0,1|1,0,0]=3 5095 B12R1.125 CC(C)SCc1cccnc1Br 62a_100000210206_100010140945 [0,1,0,0,0,1|2,0,0]=4 5096 B12R1.125 CC(C)SCc1cccnc1Br 62a_100010140945_100000210206 [0,1,0,0,0,1|2,0,0]=4 5097 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000045678_100000210206 [0,1,0,0,0,1|2,0,0]=4 5098 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000210206_100000045678 [0,1,0,0,0,1|2,0,0]=4 5099 B12R1.125 CC(C)SCc1cccnc1F 62a_100000099810_100000210206 [0,1,0,0,0,1|2,0,0]=4 5100 B12R1.125 CC(C)SCc1cccnc1F 62a_100000210206_100000099810 [0,1,0,0,0,1|2,0,0]=4 5101 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000210206_100000763264 [0,1,0,0,0,1|2,0,0]=4 5102 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000763264_100000210206 [0,1,0,0,0,1|2,0,0]=4 5103 B12R1.125 CC(C)SCc1ncccc1Br 62a_100000210206_100025702911 [0,1,0,0,0,1|0,0,0]=2 5104 B12R1.125 CC(C)SCc1ncccc1Br 62a_100025702911_100000210206 [0,1,0,0,0,1|0,0,0]=2 5105 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000099807_100000210206 [0,1,0,0,0,1|0,0,0]=2 5106 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000210206_100000099807 [0,1,0,0,0,1|0,0,0]=2 5107 B12R1.125 CC(C)SCc1ncccc1F 62a_100000104219_100000210206 [0,1,0,0,0,1|0,0,0]=2 5108 B12R1.125 CC(C)SCc1ncccc1F 62a_100000210206_100000104219 [0,1,0,0,0,1|0,0,0]=2 5109 B12R1.125 CC(C)SCc1ncccc1O 62a_100000210206_200020655725 [0,1,0,0,0,1|0,0,0]=2 5110 B12R1.125 CC(C)SCc1ncccc1O 62a_200020655725_100000210206 [0,1,0,0,0,1|0,0,0]=2 5111 B12R1.125 CC(O)C=Cc1ncccc1Br 271570a_200011019289_100000696092 [0,1,0,0,0,1|1,0,1]=4 5112 B12R1.125 CC(O)C=Cc1ncccc1Cl 271570a_200011019289_100011356963 [0,1,0,0,0,1|1,0,1]=4 5113 B12R1.125 CC(O)C=Cc1ncccc1F 271570a_200011019289_100000685392 [0,1,0,0,0,1|1,0,1]=4 5114 B12R1.125 CC(O)C=Cc1ncccc1N 271570a_200011019289_100000688686 [0,1,0,0,0,1|1,0,1]=4 5115 B12R1.125 CC(O)C=Cc1ncccc1O 271570a_200011019289_100000034122 [0,1,0,0,0,1|1,0,1]=4 5116 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,1,0,0,0,1|2,0,0]=4 5117 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,1,0,0,0,1|2,0,0]=4 5118 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,1,0,0,0,1|2,0,0]=4 5119 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,1,0,0,0,1|2,0,0]=4 5120 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,1,0,0,0,1|2,0,0]=4 5121 B12R1.125 CC(O)CNc1ncccc1Br 27a_100000210904_100000696092 [0,1,0,0,0,1|1,0,0]=3 5122 B12R1.125 CC(O)CNc1nccnc1F 27a_100000210904_200010125657 [0,1,0,0,0,1|2,0,0]=4 5123 B12R1.125 CC(O)CNc1ncncc1F 27a_100000210904_100000069762 [0,1,0,0,0,1|2,0,0]=4 5124 B12R1.125 CC(O)CNc1ncncc1N 27a_100000210904_100000709731 [0,1,0,0,0,1|2,0,0]=4 5125 B12R1.125 CC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218427 [0,1,0,0,0,1|1,0,1]=4 5126 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,1,0,0,0,1|2,0,0]=4 5127 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,1,0,0,0,1|2,0,0]=4 5128 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,1,0,0,0,1|2,0,0]=4 5129 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,1,0,0,0,1|2,0,0]=4 5130 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,1,0,0,0,1|2,0,0]=4 5131 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,1,0,0,0,1|2,0,0]=4 5132 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,1,0,0,0,1|2,0,0]=4 5133 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,1,0,0,0,1|2,0,0]=4 5134 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,1,0,0,0,1|2,0,0]=4 5135 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,1,0,0,0,1|2,0,0]=4 5136 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,1,0,0,0,1|1,0,0]=3 5137 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,1,0,0,0,1|1,0,0]=3 5138 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,1,0,0,0,1|1,0,0]=3 5139 B12R1.125 CC(O)CSc1cccc[n+]1C 62a_100011218427_100000212160 [0,1,0,0,0,1|1,0,1]=4 5140 B12R1.125 CC(O)CSc1cccc[n+]1[O-] 62a_100011218427_200000042595 [0,1,0,0,0,1|1,0,1]=4 5141 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,1,0,0,0,1|2,0,0]=4 5142 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,1,0,0,0,1|2,0,0]=4 5143 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,1,0,0,0,1|2,0,0]=4 5144 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,1,0,0,0,1|2,0,0]=4 5145 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,1,0,0,0,1|2,0,0]=4 5146 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,1,0,0,0,1|2,0,0]=4 5147 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,1,0,0,0,1|2,0,0]=4 5148 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,1,0,0,0,1|2,0,0]=4 5149 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,1,0,0,0,1|2,0,0]=4 5150 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,1,0,0,0,1|2,0,0]=4 5151 B12R1.125 CC(O)CSc1ncc[nH]c1=O 62a_100011218427_100000763361 [0,1,0,0,0,1|2,0,0]=4 5152 B12R1.125 CC(O)CSc1ncccc1Br 62a_100000696092_100011218427 [0,1,0,0,0,1|1,0,0]=3 5153 B12R1.125 CC(O)CSc1ncccc1Br 62a_100011218427_100000696092 [0,1,0,0,0,1|1,0,0]=3 5154 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,1,0,0,0,1|1,0,0]=3 5155 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,1,0,0,0,1|1,0,0]=3 5156 B12R1.125 CC(O)CSc1ncccc1F 62a_100000685392_100011218427 [0,1,0,0,0,1|1,0,0]=3 5157 B12R1.125 CC(O)CSc1ncccc1F 62a_100011218427_100000685392 [0,1,0,0,0,1|1,0,0]=3 5158 B12R1.125 CC(O)CSc1ncccc1N 62a_100000688686_100011218427 [0,1,0,0,0,1|1,0,0]=3 5159 B12R1.125 CC(O)CSc1ncccc1N 62a_100011218427_100000688686 [0,1,0,0,0,1|1,0,0]=3 5160 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,1,0,0,0,1|1,0,0]=3 5161 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,1,0,0,0,1|1,0,0]=3 5162 B12R1.125 CC(O)CSc1nccnc1Cl 62a_100010886584_100011218427 [0,1,0,0,0,1|2,0,0]=4 5163 B12R1.125 CC(O)CSc1nccnc1Cl 62a_100011218427_100010886584 [0,1,0,0,0,1|2,0,0]=4 5164 B12R1.125 CC(O)CSc1nccnc1F 62a_100011218427_200010125657 [0,1,0,0,0,1|2,0,0]=4 5165 B12R1.125 CC(O)CSc1nccnc1F 62a_200010125657_100011218427 [0,1,0,0,0,1|2,0,0]=4 5166 B12R1.125 CC(O)CSc1nccnc1N 62a_100000747729_100011218427 [0,1,0,0,0,1|2,0,0]=4 5167 B12R1.125 CC(O)CSc1nccnc1N 62a_100011218427_100000747729 [0,1,0,0,0,1|2,0,0]=4 5168 B12R1.125 CC(O)CSc1ncncc1F 62a_100000069762_100011218427 [0,1,0,0,0,1|2,0,0]=4 5169 B12R1.125 CC(O)CSc1ncncc1F 62a_100011218427_100000069762 [0,1,0,0,0,1|2,0,0]=4 5170 B12R1.125 CC(O)CSc1ncncc1N 62a_100000709731_100011218427 [0,1,0,0,0,1|2,0,0]=4 5171 B12R1.125 CC(O)CSc1ncncc1N 62a_100011218427_100000709731 [0,1,0,0,0,1|2,0,0]=4 5172 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [0,1,0,0,0,1|2,0,0]=4 5173 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [0,1,0,0,0,1|2,0,0]=4 5174 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [0,1,0,0,0,1|2,0,0]=4 5175 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [0,1,0,0,0,1|2,0,0]=4 5176 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [0,1,0,0,0,1|2,0,0]=4 5177 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [0,1,0,0,0,1|2,0,0]=4 5178 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [0,1,0,0,0,1|2,0,0]=4 5179 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [0,1,0,0,0,1|2,0,0]=4 5180 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [0,1,0,0,0,1|2,0,0]=4 5181 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [0,1,0,0,0,1|2,0,0]=4 5182 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,1,0,0,0,1|2,0,0]=4 5183 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [0,1,0,0,0,1|2,0,0]=4 5184 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [0,1,0,0,0,1|2,0,0]=4 5185 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [0,1,0,0,0,1|2,0,0]=4 5186 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,1,0,0,0,1|2,0,0]=4 5187 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,1,0,0,0,1|2,0,0]=4 5188 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,1,0,0,0,1|2,0,0]=4 5189 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,1,0,0,0,1|2,0,0]=4 5190 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,1,0,0,0,1|2,0,0]=4 5191 B12R1.125 C[C@@H](O)COc1cccc[n+]1[O-] 7a_100000211761_100009817552 [0,1,0,0,0,1|1,0,1]=4 5192 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,1,0,0,0,1|2,0,0]=4 5193 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,1,0,0,0,1|2,0,0]=4 5194 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,1,0,0,0,1|2,0,0]=4 5195 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,1,0,0,0,1|2,0,0]=4 5196 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,1,0,0,0,1|2,0,0]=4 5197 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,1,0,0,0,1|2,0,0]=4 5198 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,1,0,0,0,1|2,0,0]=4 5199 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,1,0,0,0,1|2,0,0]=4 5200 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,1,0,0,0,1|2,0,0]=4 5201 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,1,0,0,0,1|2,0,0]=4 5202 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,1,0,0,0,1|1,0,0]=3 5203 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,1,0,0,0,1|1,0,0]=3 5204 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,1,0,0,0,1|1,0,0]=3 5205 B12R1.125 C[C@@H](O)CSc1cccc[n+]1C 62a_100009817552_100000212160 [0,1,0,0,0,1|1,0,1]=4 5206 B12R1.125 C[C@@H](O)CSc1cccc[n+]1[O-] 62a_100009817552_200000042595 [0,1,0,0,0,1|1,0,1]=4 5207 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,1,0,0,0,1|2,0,0]=4 5208 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,1,0,0,0,1|2,0,0]=4 5209 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,1,0,0,0,1|2,0,0]=4 5210 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,1,0,0,0,1|2,0,0]=4 5211 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,1,0,0,0,1|2,0,0]=4 5212 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,1,0,0,0,1|2,0,0]=4 5213 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,1,0,0,0,1|2,0,0]=4 5214 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,1,0,0,0,1|2,0,0]=4 5215 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,1,0,0,0,1|2,0,0]=4 5216 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,1,0,0,0,1|2,0,0]=4 5217 B12R1.125 C[C@@H](O)CSc1ncc[nH]c1=O 62a_100009817552_100000763361 [0,1,0,0,0,1|2,0,0]=4 5218 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100000696092_100009817552 [0,1,0,0,0,1|1,0,0]=3 5219 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100009817552_100000696092 [0,1,0,0,0,1|1,0,0]=3 5220 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,1,0,0,0,1|1,0,0]=3 5221 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,1,0,0,0,1|1,0,0]=3 5222 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100000685392_100009817552 [0,1,0,0,0,1|1,0,0]=3 5223 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100009817552_100000685392 [0,1,0,0,0,1|1,0,0]=3 5224 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100000688686_100009817552 [0,1,0,0,0,1|1,0,0]=3 5225 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100009817552_100000688686 [0,1,0,0,0,1|1,0,0]=3 5226 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,1,0,0,0,1|1,0,0]=3 5227 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,1,0,0,0,1|1,0,0]=3 5228 B12R1.125 C[C@@H](O)CSc1nccnc1Cl 62a_100009817552_100010886584 [0,1,0,0,0,1|2,0,0]=4 5229 B12R1.125 C[C@@H](O)CSc1nccnc1Cl 62a_100010886584_100009817552 [0,1,0,0,0,1|2,0,0]=4 5230 B12R1.125 C[C@@H](O)CSc1nccnc1F 62a_100009817552_200010125657 [0,1,0,0,0,1|2,0,0]=4 5231 B12R1.125 C[C@@H](O)CSc1nccnc1F 62a_200010125657_100009817552 [0,1,0,0,0,1|2,0,0]=4 5232 B12R1.125 C[C@@H](O)CSc1nccnc1N 62a_100000747729_100009817552 [0,1,0,0,0,1|2,0,0]=4 5233 B12R1.125 C[C@@H](O)CSc1nccnc1N 62a_100009817552_100000747729 [0,1,0,0,0,1|2,0,0]=4 5234 B12R1.125 C[C@@H](O)CSc1ncncc1F 62a_100000069762_100009817552 [0,1,0,0,0,1|2,0,0]=4 5235 B12R1.125 C[C@@H](O)CSc1ncncc1F 62a_100009817552_100000069762 [0,1,0,0,0,1|2,0,0]=4 5236 B12R1.125 C[C@@H](O)CSc1ncncc1N 62a_100000709731_100009817552 [0,1,0,0,0,1|2,0,0]=4 5237 B12R1.125 C[C@@H](O)CSc1ncncc1N 62a_100009817552_100000709731 [0,1,0,0,0,1|2,0,0]=4 5238 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,1,0,0,0,1|1,0,1]=4 5239 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,1,0,0,0,1|2,0,0]=4 5240 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,1,0,0,0,1|2,0,0]=4 5241 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,1,0,0,0,1|1,0,0]=3 5242 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,1,0,0,0,1|1,0,0]=3 5243 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,1,0,0,0,1|1,0,0]=3 5244 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,1,0,0,0,1|1,0,0]=3 5245 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,1,0,0,0,1|1,0,0]=3 5246 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,1,0,0,0,1|1,0,0]=3 5247 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,1,0,0,0,1|1,0,0]=3 5248 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,1,0,0,0,1|1,0,0]=3 5249 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,1,0,0,0,1|1,0,0]=3 5250 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,1,0,0,0,1|1,0,0]=3 5251 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,1,0,0,0,1|2,0,0]=4 5252 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,1,0,0,0,1|2,0,0]=4 5253 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,1,0,0,0,1|1,0,0]=3 5254 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,1,0,0,0,1|1,0,0]=3 5255 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,1,0,0,0,1|2,0,0]=4 5256 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,1,0,0,0,1|2,0,0]=4 5257 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,1,0,0,0,1|2,0,0]=4 5258 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,1,0,0,0,1|2,0,0]=4 5259 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [0,1,0,0,0,1|1,0,0]=3 5260 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [0,1,0,0,0,1|1,0,0]=3 5261 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,1,0,0,0,1|2,0,0]=4 5262 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,1,0,0,0,1|2,0,0]=4 5263 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,1,0,0,0,1|2,0,0]=4 5264 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,1,0,0,0,1|2,0,0]=4 5265 B12R1.125 Cc1cccnc1C=CC(C)C 271570a_100016257149_100000751373 [0,1,0,0,0,1|0,0,1]=3 5266 B12R1.125 Cc1cccnc1C=CC(C)O 271570a_200011019289_100000751373 [0,1,0,0,0,1|1,0,1]=4 5267 B12R1.125 Cc1cccnc1CNC(C)C 207a_100138425928_100000698913 [0,1,0,0,0,1|0,0,0]=2 5268 B12R1.125 Cc1cccnc1CNC(C)C 2230a_100138425928_100000696600 [0,1,0,0,0,1|0,0,0]=2 5269 B12R1.125 Cc1cccnc1CNC(C)C 34a_100011223789_100000210206 [0,1,0,0,0,1|0,0,0]=2 5270 B12R1.125 Cc1cccnc1CNC(C)C 34a_100138425928_100000696600 [0,1,0,0,0,1|0,0,0]=2 5271 B12R1.125 Cc1cccnc1COC(C)C 34a_100000212225_100000696600 [0,1,0,0,0,1|0,0,0]=2 5272 B12R1.125 Cc1cccnc1COC(C)C 34a_100000698912_100000210206 [0,1,0,0,0,1|0,0,0]=2 5273 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000210206_100000696600 [0,1,0,0,0,1|0,0,0]=2 5274 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000696600_100000210206 [0,1,0,0,0,1|0,0,0]=2 5275 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000210624_100000751373 [0,1,0,0,0,1|0,0,0]=2 5276 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000751373_100000210760 [0,1,0,0,0,1|0,0,0]=2 5277 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [0,1,0,0,0,1|1,0,0]=3 5278 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [0,1,0,0,0,1|1,0,0]=3 5279 B12R1.125 Cc1cccnc1SCC(F)F 62a_100000751373_100011934356 [0,1,0,0,0,1|2,0,0]=4 5280 B12R1.125 Cc1cccnc1SCC(F)F 62a_100011934356_100000751373 [0,1,0,0,0,1|2,0,0]=4 5281 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [0,1,0,0,0,1|1,0,0]=3 5282 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [0,1,0,0,0,1|1,0,0]=3 5283 B12R1.125 Cc1ccncc1CNC(C)C 207a_100138425928_100000685662 [0,1,0,0,0,1|2,0,0]=4 5284 B12R1.125 Cc1ccncc1CNC(C)C 2230a_100138425928_100000690890 [0,1,0,0,0,1|2,0,0]=4 5285 B12R1.125 Cc1ccncc1CNC(C)C 34a_100138425928_100000690890 [0,1,0,0,0,1|2,0,0]=4 5286 B12R1.125 Cc1ccncc1COC(C)C 34a_100000212225_100000690890 [0,1,0,0,0,1|2,0,0]=4 5287 B12R1.125 Cc1ccncc1COC(C)C 34a_100011996381_100000210206 [0,1,0,0,0,1|2,0,0]=4 5288 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000210206_100000690890 [0,1,0,0,0,1|2,0,0]=4 5289 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000690890_100000210206 [0,1,0,0,0,1|2,0,0]=4 5290 B12R1.125 Cc1ccncc1OCC(C)C 34a_100011997053_100000210624 [0,1,0,0,0,1|2,0,0]=4 5291 B12R1.125 Cc1ccncc1OCC(C)C 7a_100011997053_100000210760 [0,1,0,0,0,1|2,0,0]=4 5292 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000210624_100000761580 [0,1,0,0,0,1|2,0,0]=4 5293 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000761580_100000210760 [0,1,0,0,0,1|2,0,0]=4 5294 B12R1.125 Cc1ccnnc1C=CC(C)C 271570a_100016257149_100000089043 [0,1,0,0,0,1|1,0,1]=4 5295 B12R1.125 Cc1ccnnc1NCC(C)C 27a_100000210953_100000089043 [0,1,0,0,0,1|1,0,0]=3 5296 B12R1.125 Cc1ccnnc1NCC(C)O 27a_100000210904_100000089043 [0,1,0,0,0,1|2,0,0]=4 5297 B12R1.125 Cc1ccnnc1SCC(C)C 62a_100000210624_100000089043 [0,1,0,0,0,1|1,0,0]=3 5298 B12R1.125 Cc1ccnnc1SCC(C)O 62a_100011218427_100000089043 [0,1,0,0,0,1|2,0,0]=4 5299 B12R1.125 Cc1ccnnc1SC[C@@H](C)O 62a_100009817552_100000089043 [0,1,0,0,0,1|2,0,0]=4 5300 B12R1.125 Cc1cnccc1CNC(C)C 2230a_100138425928_100020672808 [0,1,0,0,0,1|2,0,0]=4 5301 B12R1.125 Cc1cnccc1CNC(C)C 34a_100138425928_100020672809 [0,1,0,0,0,1|2,0,0]=4 5302 B12R1.125 Cc1cnccc1COC(C)C 34a_100000212225_100020672809 [0,1,0,0,0,1|2,0,0]=4 5303 B12R1.125 Cc1cnccc1COC(C)C 34a_100011997032_100000210206 [0,1,0,0,0,1|2,0,0]=4 5304 B12R1.125 Cc1cnccc1CSC(C)C 62a_100000210206_100020672808 [0,1,0,0,0,1|2,0,0]=4 5305 B12R1.125 Cc1cnccc1CSC(C)C 62a_100020672808_100000210206 [0,1,0,0,0,1|2,0,0]=4 5306 B12R1.125 Cc1cnccc1NCC(C)C 27a_100000210953_100000765111 [0,1,0,0,0,1|2,0,0]=4 5307 B12R1.125 Cc1cnccc1OCC(C)C 34a_100000694293_100000210624 [0,1,0,0,0,1|2,0,0]=4 5308 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000210624_100000765111 [0,1,0,0,0,1|2,0,0]=4 5309 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000765111_100000210760 [0,1,0,0,0,1|2,0,0]=4 5310 B12R1.125 Cc1cncnc1C=CC(C)C 271570a_100016257149_100011998708 [0,1,0,0,0,1|1,0,1]=4 5311 B12R1.125 Cc1cncnc1NCC(C)C 27a_100000210953_100011998708 [0,1,0,0,0,1|1,0,0]=3 5312 B12R1.125 Cc1cncnc1NCC(C)O 27a_100000210904_100011998708 [0,1,0,0,0,1|2,0,0]=4 5313 B12R1.125 Cc1cncnc1SCC(C)C 62a_100000210624_100011998708 [0,1,0,0,0,1|1,0,0]=3 5314 B12R1.125 Cc1cncnc1SCC(C)C 62a_100011998708_100000210760 [0,1,0,0,0,1|1,0,0]=3 5315 B12R1.125 Cc1cncnc1SCC(C)O 62a_100011218427_100011998708 [0,1,0,0,0,1|2,0,0]=4 5316 B12R1.125 Cc1cncnc1SCC(C)O 62a_100011998708_100011218427 [0,1,0,0,0,1|2,0,0]=4 5317 B12R1.125 Cc1cncnc1SC[C@@H](C)O 62a_100009817552_100011998708 [0,1,0,0,0,1|2,0,0]=4 5318 B12R1.125 Cc1cncnc1SC[C@@H](C)O 62a_100011998708_100009817552 [0,1,0,0,0,1|2,0,0]=4 5319 B12R1.125 Cc1ncccc1CNC(C)C 207a_100138425928_100000751968 [0,1,0,0,0,1|2,0,0]=4 5320 B12R1.125 Cc1ncccc1CNC(C)C 2230a_100138425928_100000732876 [0,1,0,0,0,1|2,0,0]=4 5321 B12R1.125 Cc1ncccc1CNC(C)C 34a_100138425928_100000732876 [0,1,0,0,0,1|2,0,0]=4 5322 B12R1.125 Cc1ncccc1COC(C)C 34a_100000212225_100000732876 [0,1,0,0,0,1|2,0,0]=4 5323 B12R1.125 Cc1ncccc1COC(C)C 34a_100000729262_100000210206 [0,1,0,0,0,1|2,0,0]=4 5324 B12R1.125 Cc1ncccc1COC(C)C 7a_100000729262_100000210206 [0,1,0,0,0,1|2,0,0]=4 5325 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000210206_100000732876 [0,1,0,0,0,1|2,0,0]=4 5326 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000732876_100000210206 [0,1,0,0,0,1|2,0,0]=4 5327 B12R1.125 Cc1ncccc1OCC(C)C 34a_100000745507_100000210624 [0,1,0,0,0,1|2,0,0]=4 5328 B12R1.125 Cc1ncccc1OCC(C)C 7a_100000745507_100000210760 [0,1,0,0,0,1|2,0,0]=4 5329 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000210624_100000751574 [0,1,0,0,0,1|2,0,0]=4 5330 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000751574_100000210760 [0,1,0,0,0,1|2,0,0]=4 5331 B12R1.125 Cc1nccnc1C=CC(C)C 271570a_100016257149_100011999405 [0,1,0,0,0,1|1,0,1]=4 5332 B12R1.125 Cc1nccnc1CNC(C)C 2230a_100020641712_100000210206 [0,1,0,0,0,1|1,0,0]=3 5333 B12R1.125 Cc1nccnc1CNC(C)C 34a_100020641712_100000210206 [0,1,0,0,0,1|1,0,0]=3 5334 B12R1.125 Cc1nccnc1NCC(C)C 27a_100000210953_100011999405 [0,1,0,0,0,1|1,0,0]=3 5335 B12R1.125 Cc1nccnc1NCC(C)O 27a_100000210904_100011999405 [0,1,0,0,0,1|2,0,0]=4 5336 B12R1.125 Cc1nccnc1OCC(C)C 34a_100000766352_100000210624 [0,1,0,0,0,1|1,0,0]=3 5337 B12R1.125 Cc1nccnc1OCC(C)O 34a_100000766352_100011218427 [0,1,0,0,0,1|2,0,0]=4 5338 B12R1.125 Cc1nccnc1OC[C@@H](C)O 34a_100000766352_100009817552 [0,1,0,0,0,1|2,0,0]=4 5339 B12R1.125 Cc1nccnc1SCC(C)C 62a_100000210624_100011999405 [0,1,0,0,0,1|1,0,0]=3 5340 B12R1.125 Cc1nccnc1SCC(C)C 62a_100011999405_100000210760 [0,1,0,0,0,1|1,0,0]=3 5341 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011218427_100011999405 [0,1,0,0,0,1|2,0,0]=4 5342 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011999405_100011218427 [0,1,0,0,0,1|2,0,0]=4 5343 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100009817552_100011999405 [0,1,0,0,0,1|2,0,0]=4 5344 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100011999405_100009817552 [0,1,0,0,0,1|2,0,0]=4 5345 B12R1.125 FC(F)CNc1ncccc1Br 27a_100000765723_100000696092 [0,1,0,0,0,1|2,0,0]=4 5346 B12R1.125 FC(F)COc1ncccc1Cl 34a_100011290957_100011934356 [0,1,0,0,0,1|2,0,0]=4 5347 B12R1.125 FC(F)CSc1ncccc1Br 62a_100000696092_100011934356 [0,1,0,0,0,1|2,0,0]=4 5348 B12R1.125 FC(F)CSc1ncccc1Br 62a_100011934356_100000696092 [0,1,0,0,0,1|2,0,0]=4 5349 B12R1.125 FC(F)CSc1ncccc1Cl 62a_100011356963_100011934356 [0,1,0,0,0,1|2,0,0]=4 5350 B12R1.125 FC(F)CSc1ncccc1Cl 62a_100011934356_100011356963 [0,1,0,0,0,1|2,0,0]=4 5351 B12R1.125 Fc1cccnc1OCC(F)F 34a_100011219419_100011934356 [0,1,0,0,0,1|2,0,0]=4 5352 B12R1.125 Fc1cccnc1SCC(F)F 62a_100000685392_100011934356 [0,1,0,0,0,1|2,0,0]=4 5353 B12R1.125 Fc1cccnc1SCC(F)F 62a_100011934356_100000685392 [0,1,0,0,0,1|2,0,0]=4 5354 B12R1.125 Nc1cccnc1OCC(F)F 34a_100000746358_100011934356 [0,1,0,0,0,1|2,0,0]=4 5355 B12R1.125 Nc1cccnc1SCC(F)F 62a_100000688686_100011934356 [0,1,0,0,0,1|2,0,0]=4 5356 B12R1.125 Nc1cccnc1SCC(F)F 62a_100011934356_100000688686 [0,1,0,0,0,1|2,0,0]=4 5357 B12R1.125 Oc1cccnc1SCC(F)F 62a_100000034122_100011934356 [0,1,0,0,0,1|2,0,0]=4 5358 B12R1.125 Oc1cccnc1SCC(F)F 62a_100011934356_100000034122 [0,1,0,0,0,1|2,0,0]=4 5359 B12R1.226 C=C(C)CNc1cc(ccn1)F 27a_100000765925_100000764206 [0,1,0,0,0,1|0,0,2]=4 5360 B12R1.226 C=C(C)CNc1cccc(n1)F 27a_100000765925_100009815982 [0,1,0,0,0,1|0,0,2]=4 5361 B12R1.226 C=C(C)COc1cccc(n1)F 34a_100011432558_100000748629 [0,1,0,0,0,1|0,0,2]=4 5362 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000748629_100000750283 [0,1,0,0,0,1|0,0,2]=4 5363 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000750283_100000211660 [0,1,0,0,0,1|0,0,2]=4 5364 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100000748629_100010167805 [0,1,0,0,0,1|0,0,2]=4 5365 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100010167805_100000211660 [0,1,0,0,0,1|0,0,2]=4 5366 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000748629_100000764206 [0,1,0,0,0,1|0,0,2]=4 5367 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000764206_100000211660 [0,1,0,0,0,1|0,0,2]=4 5368 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100000748629_100009814236 [0,1,0,0,0,1|0,0,2]=4 5369 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100009814236_100000211660 [0,1,0,0,0,1|0,0,2]=4 5370 B12R1.226 C=C(C)CSc1cc(ccn1)O 62a_100000748629_100000762945 [0,1,0,0,0,1|0,0,2]=4 5371 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000684672_100000211660 [0,1,0,0,0,1|0,0,2]=4 5372 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000748629_100000684672 [0,1,0,0,0,1|0,0,2]=4 5373 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000742759_100000211660 [0,1,0,0,0,1|0,0,2]=4 5374 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000748629_100000742759 [0,1,0,0,0,1|0,0,2]=4 5375 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000051397_100000211660 [0,1,0,0,0,1|0,0,2]=4 5376 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000748629_100000051397 [0,1,0,0,0,1|0,0,2]=4 5377 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100000748629_100009815982 [0,1,0,0,0,1|0,0,2]=4 5378 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100009815982_100000211660 [0,1,0,0,0,1|0,0,2]=4 5379 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000740741_100000211660 [0,1,0,0,0,1|0,0,2]=4 5380 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000748629_100000740741 [0,1,0,0,0,1|0,0,2]=4 5381 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,1,0,0,0,1|1,0,1]=4 5382 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,1,0,0,0,1|1,0,1]=4 5383 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,1,0,0,0,1|1,0,1]=4 5384 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,1,0,0,0,1|1,0,1]=4 5385 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,1,0,0,0,1|1,0,1]=4 5386 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,1,0,0,0,1|1,0,1]=4 5387 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,1,0,0,0,1|1,0,1]=4 5388 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,1,0,0,0,1|1,0,1]=4 5389 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,1,0,0,0,1|1,0,1]=4 5390 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,1,0,0,0,1|1,0,1]=4 5391 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,1,0,0,0,1|1,0,1]=4 5392 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,1,0,0,0,1|1,0,1]=4 5393 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,1,0,0,0,1|1,0,1]=4 5394 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,1,0,0,0,1|1,0,1]=4 5395 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,1,0,0,0,1|1,0,1]=4 5396 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,1,0,0,0,1|1,0,1]=4 5397 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,1,0,0,0,1|1,0,1]=4 5398 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,1,0,0,0,1|1,0,1]=4 5399 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,1,0,0,0,1|1,0,1]=4 5400 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,1,0,0,0,1|1,0,1]=4 5401 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,1,0,0,0,1|1,0,1]=4 5402 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,1,0,0,0,1|1,0,1]=4 5403 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,1,0,0,0,1|1,0,1]=4 5404 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,1,0,0,0,1|1,0,1]=4 5405 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,1,0,0,0,1|1,0,1]=4 5406 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,1,0,0,0,1|1,0,1]=4 5407 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,1,0,0,0,1|1,0,1]=4 5408 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,1,0,0,0,1|1,0,1]=4 5409 B12R1.226 CC(C)C=Cc1c[n+](ccn1)[O-] 271570a_100016257149_100009880115 [0,1,0,0,0,1|1,0,1]=4 5410 B12R1.226 CC(C)C=Cc1cc(ccn1)Cl 271570a_100016257149_100010167805 [0,1,0,0,0,1|0,0,1]=3 5411 B12R1.226 CC(C)C=Cc1cc(ccn1)F 271570a_100016257149_100009817058 [0,1,0,0,0,1|0,0,1]=3 5412 B12R1.226 CC(C)C=Cc1cc(ccn1)N 271570a_100016257149_100009814236 [0,1,0,0,0,1|0,0,1]=3 5413 B12R1.226 CC(C)C=Cc1cc(ccn1)O 271570a_100016257149_100000762945 [0,1,0,0,0,1|0,0,1]=3 5414 B12R1.226 CC(C)C=Cc1cc(cnn1)O 271570a_100016257149_200010734679 [0,1,0,0,0,1|1,0,1]=4 5415 B12R1.226 CC(C)C=Cc1cc(ncn1)F 271570a_100016257149_200009880791 [0,1,0,0,0,1|1,0,1]=4 5416 B12R1.226 CC(C)C=Cc1cc(ncn1)N 271570a_100016257149_100000701291 [0,1,0,0,0,1|1,0,1]=4 5417 B12R1.226 CC(C)C=Cc1cc(ncn1)O 271570a_100016257149_100000765262 [0,1,0,0,0,1|1,0,1]=4 5418 B12R1.226 CC(C)C=Cc1cc[nH]c(=O)n1 271570a_100016257149_200000134032 [0,1,0,0,0,1|1,0,1]=4 5419 B12R1.226 CC(C)C=Cc1cccc(=O)[nH]1 271570a_100016257149_100000761760 [0,1,0,0,0,1|0,0,2]=4 5420 B12R1.226 CC(C)C=Cc1cccc(c1)Br 271570a_100016257149_100000691529 [0,1,0,0,0,1|1,0,1]=4 5421 B12R1.226 CC(C)C=Cc1cccc(c1)Cl 271570a_100016257149_100000699651 [0,1,0,0,0,1|1,0,1]=4 5422 B12R1.226 CC(C)C=Cc1cccc(c1)F 271570a_100016257149_100000685547 [0,1,0,0,0,1|1,0,1]=4 5423 B12R1.226 CC(C)C=Cc1cccc(c1)N 271570a_100016257149_100000210019 [0,1,0,0,0,1|1,0,1]=4 5424 B12R1.226 CC(C)C=Cc1cccc(c1)O 271570a_100016257149_100000211634 [0,1,0,0,0,1|1,0,1]=4 5425 B12R1.226 CC(C)C=Cc1cccc(c1)[S] 271570a_100016257149_114929384022 [0,1,0,0,0,1|1,0,1]=4 5426 B12R1.226 CC(C)C=Cc1cccc(n1)Br 271570a_100016257149_100000684672 [0,1,0,0,0,1|0,0,1]=3 5427 B12R1.226 CC(C)C=Cc1cccc(n1)F 271570a_100016257149_100009815982 [0,1,0,0,0,1|0,0,1]=3 5428 B12R1.226 CC(C)C=Cc1cccc(n1)N 271570a_100016257149_100000740741 [0,1,0,0,0,1|0,0,1]=3 5429 B12R1.226 CC(C)C=Cc1ccnc(n1)N 271570a_100016257149_100009820717 [0,1,0,0,0,1|1,0,1]=4 5430 B12R1.226 CC(C)C=Cc1cncc(n1)F 271570a_100016257149_200009863489 [0,1,0,0,0,1|1,0,1]=4 5431 B12R1.226 CC(C)C=Cc1cncc(n1)N 271570a_100016257149_100009819714 [0,1,0,0,0,1|1,0,1]=4 5432 B12R1.226 CC(C)C=Cc1cncc(n1)O 271570a_100016257149_100011269956 [0,1,0,0,0,1|1,0,1]=4 5433 B12R1.226 CC(C)C=Cc1nccc(n1)N 271570a_100016257149_100000757536 [0,1,0,0,0,1|1,0,1]=4 5434 B12R1.226 CC(C)C=Cc1nccc(n1)O 271570a_100016257149_100011649813 [0,1,0,0,0,1|1,0,1]=4 5435 B12R1.226 CC(C)CNc1c[n+](ccn1)[O-] 27a_100000210953_100009880115 [0,1,0,0,0,1|1,0,0]=3 5436 B12R1.226 CC(C)CNc1cc(ccn1)F 27a_100000210953_100000764206 [0,1,0,0,0,1|0,0,0]=2 5437 B12R1.226 CC(C)CNc1cc(ncn1)F 27a_100000210953_200009880791 [0,1,0,0,0,1|1,0,0]=3 5438 B12R1.226 CC(C)CNc1cc(ncn1)N 27a_100000210953_100000701291 [0,1,0,0,0,1|1,0,0]=3 5439 B12R1.226 CC(C)CNc1cc(ncn1)O 27a_100000210953_100000765262 [0,1,0,0,0,1|1,0,0]=3 5440 B12R1.226 CC(C)CNc1cc[nH]c(=O)c1 27a_100000210953_100000061649 [0,1,0,0,0,1|2,0,0]=4 5441 B12R1.226 CC(C)CNc1cc[nH]c(=O)n1 27a_100000210953_200000134032 [0,1,0,0,0,1|1,0,0]=3 5442 B12R1.226 CC(C)CNc1cccc(c1)Br 34a_100000210019_100000210624 [0,1,0,0,0,1|1,0,0]=3 5443 B12R1.226 CC(C)CNc1cccc(c1)Cl 34a_100000185859_100000210624 [0,1,0,0,0,1|1,0,0]=3 5444 B12R1.226 CC(C)CNc1cccc(c1)F 34a_100000210047_100000210624 [0,1,0,0,0,1|1,0,0]=3 5445 B12R1.226 CC(C)CNc1cccc(c1)I 34a_100000211102_100000210624 [0,1,0,0,0,1|1,0,0]=3 5446 B12R1.226 CC(C)CNc1cccc(c1)O 34a_100000210217_100000210624 [0,1,0,0,0,1|1,0,0]=3 5447 B12R1.226 CC(C)CNc1cccc(n1)F 27a_100000210953_100009815982 [0,1,0,0,0,1|0,0,0]=2 5448 B12R1.226 CC(C)CNc1ccnc(c1)F 27a_100000210953_100009816116 [0,1,0,0,0,1|2,0,0]=4 5449 B12R1.226 CC(C)CNc1ccnc(n1)N 27a_100000210953_100000055538 [0,1,0,0,0,1|1,0,0]=3 5450 B12R1.226 CC(C)CNc1cncc(n1)Cl 27a_100000210953_100010892449 [0,1,0,0,0,1|1,0,0]=3 5451 B12R1.226 CC(C)CNc1cncc(n1)F 27a_100000210953_200009863489 [0,1,0,0,0,1|1,0,0]=3 5452 B12R1.226 CC(C)CNc1nccc(n1)N 27a_100000210953_100000757536 [0,1,0,0,0,1|1,0,0]=3 5453 B12R1.226 CC(C)CNc1nccc(n1)O 27a_100000210953_100011649813 [0,1,0,0,0,1|1,0,0]=3 5454 B12R1.226 CC(C)CNc1ncnc(n1)N 27a_100000210953_100000123831 [0,1,0,0,0,1|2,0,0]=4 5455 B12R1.226 CC(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000210624 [0,1,0,0,0,1|2,0,0]=4 5456 B12R1.226 CC(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000210624 [0,1,0,0,0,1|2,0,0]=4 5457 B12R1.226 CC(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000210760 [0,1,0,0,0,1|2,0,0]=4 5458 B12R1.226 CC(C)COc1cccc(=O)[nH]1 34a_100000033347_100000210624 [0,1,0,0,0,1|0,0,1]=3 5459 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,1,0,0,0,1|1,0,0]=3 5460 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,1,0,0,0,1|1,0,0]=3 5461 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,1,0,0,0,1|1,0,0]=3 5462 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,1,0,0,0,1|1,0,0]=3 5463 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,1,0,0,0,1|1,0,0]=3 5464 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,1,0,0,0,1|1,0,0]=3 5465 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,1,0,0,0,1|1,0,0]=3 5466 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,1,0,0,0,1|1,0,0]=3 5467 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,1,0,0,0,1|1,0,0]=3 5468 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,1,0,0,0,1|1,0,0]=3 5469 B12R1.226 CC(C)COc1cccc(n1)F 34a_100011432558_100000210624 [0,1,0,0,0,1|0,0,0]=2 5470 B12R1.226 CC(C)COc1ccnc(c1)Cl 34a_100000762945_100000210624 [0,1,0,0,0,1|2,0,0]=4 5471 B12R1.226 CC(C)COc1ccnc(c1)F 34a_100000732698_100000210624 [0,1,0,0,0,1|2,0,0]=4 5472 B12R1.226 CC(C)COc1ccnc(c1)N 34a_100011834064_100000210624 [0,1,0,0,0,1|2,0,0]=4 5473 B12R1.226 CC(C)COc1cncc(c1)Br 34a_100000754920_100000210624 [0,1,0,0,0,1|2,0,0]=4 5474 B12R1.226 CC(C)COc1cncc(c1)Br 7a_100000754920_100000210760 [0,1,0,0,0,1|2,0,0]=4 5475 B12R1.226 CC(C)COc1cncc(c1)Cl 7a_100000032511_100000210760 [0,1,0,0,0,1|2,0,0]=4 5476 B12R1.226 CC(C)COc1cncc(c1)F 34a_100011830296_100000210624 [0,1,0,0,0,1|2,0,0]=4 5477 B12R1.226 CC(C)COc1cncc(c1)F 7a_100011830296_100000210760 [0,1,0,0,0,1|2,0,0]=4 5478 B12R1.226 CC(C)COc1cncc(c1)N 34a_100011997051_100000210624 [0,1,0,0,0,1|2,0,0]=4 5479 B12R1.226 CC(C)CSc1c[n+](ccn1)[O-] 62a_100000210624_100009880115 [0,1,0,0,0,1|1,0,0]=3 5480 B12R1.226 CC(C)CSc1cc(=O)[nH]cn1 62a_100012002517_100000210760 [0,1,0,0,0,1|1,0,0]=3 5481 B12R1.226 CC(C)CSc1cc(=O)cc[nH]1 62a_100009817434_100000210760 [0,1,0,0,0,1|0,0,1]=3 5482 B12R1.226 CC(C)CSc1cc(ccn1)Cl 62a_100000210624_100010167805 [0,1,0,0,0,1|0,0,0]=2 5483 B12R1.226 CC(C)CSc1cc(ccn1)Cl 62a_100010167805_100000210760 [0,1,0,0,0,1|0,0,0]=2 5484 B12R1.226 CC(C)CSc1cc(ccn1)F 62a_100000210624_100000764206 [0,1,0,0,0,1|0,0,0]=2 5485 B12R1.226 CC(C)CSc1cc(ccn1)F 62a_100000764206_100000210760 [0,1,0,0,0,1|0,0,0]=2 5486 B12R1.226 CC(C)CSc1cc(ccn1)N 62a_100000210624_100009814236 [0,1,0,0,0,1|0,0,0]=2 5487 B12R1.226 CC(C)CSc1cc(ccn1)N 62a_100009814236_100000210760 [0,1,0,0,0,1|0,0,0]=2 5488 B12R1.226 CC(C)CSc1cc(ccn1)O 62a_100000210624_100000762945 [0,1,0,0,0,1|0,0,0]=2 5489 B12R1.226 CC(C)CSc1cc(cnn1)N 62a_100000210624_100011996757 [0,1,0,0,0,1|1,0,0]=3 5490 B12R1.226 CC(C)CSc1cc(cnn1)N 62a_100011996757_100000210760 [0,1,0,0,0,1|1,0,0]=3 5491 B12R1.226 CC(C)CSc1cc(cnn1)O 62a_100000210624_200010734679 [0,1,0,0,0,1|1,0,0]=3 5492 B12R1.226 CC(C)CSc1cc(ncn1)Cl 62a_100000210624_100010161198 [0,1,0,0,0,1|1,0,0]=3 5493 B12R1.226 CC(C)CSc1cc(ncn1)Cl 62a_100010161198_100000210760 [0,1,0,0,0,1|1,0,0]=3 5494 B12R1.226 CC(C)CSc1cc(ncn1)F 62a_100000210624_200009880791 [0,1,0,0,0,1|1,0,0]=3 5495 B12R1.226 CC(C)CSc1cc(ncn1)F 62a_200009880791_100000210760 [0,1,0,0,0,1|1,0,0]=3 5496 B12R1.226 CC(C)CSc1cc(ncn1)N 62a_100000210624_100000701291 [0,1,0,0,0,1|1,0,0]=3 5497 B12R1.226 CC(C)CSc1cc(ncn1)N 62a_100000701291_100000210760 [0,1,0,0,0,1|1,0,0]=3 5498 B12R1.226 CC(C)CSc1cc(ncn1)O 62a_100000210624_100000765262 [0,1,0,0,0,1|1,0,0]=3 5499 B12R1.226 CC(C)CSc1cc[nH]c(=O)c1 62a_100000210624_100009816521 [0,1,0,0,0,1|2,0,0]=4 5500 B12R1.226 CC(C)CSc1cc[nH]c(=O)c1 62a_100009816521_100000210760 [0,1,0,0,0,1|2,0,0]=4 5501 B12R1.226 CC(C)CSc1cc[nH]c(=O)n1 62a_100000210624_200000134032 [0,1,0,0,0,1|1,0,0]=3 5502 B12R1.226 CC(C)CSc1ccc[n+](c1)C 62a_100000210624_100009996589 [0,1,0,0,0,1|2,0,0]=4 5503 B12R1.226 CC(C)CSc1ccc[n+](c1)C 62a_100009996589_100000210760 [0,1,0,0,0,1|2,0,0]=4 5504 B12R1.226 CC(C)CSc1ccc[n+](c1)[O-] 62a_100000210624_100009815978 [0,1,0,0,0,1|2,0,0]=4 5505 B12R1.226 CC(C)CSc1cccc(=O)[nH]1 62a_100000210624_100000752884 [0,1,0,0,0,1|0,0,1]=3 5506 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000210624_100000691529 [0,1,0,0,0,1|1,0,0]=3 5507 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000691529_100000210760 [0,1,0,0,0,1|1,0,0]=3 5508 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000210624_100000699651 [0,1,0,0,0,1|1,0,0]=3 5509 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000699651_100000210760 [0,1,0,0,0,1|1,0,0]=3 5510 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000210624_100000685547 [0,1,0,0,0,1|1,0,0]=3 5511 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000685547_100000210760 [0,1,0,0,0,1|1,0,0]=3 5512 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210019_100000210760 [0,1,0,0,0,1|1,0,0]=3 5513 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210624_100000210019 [0,1,0,0,0,1|1,0,0]=3 5514 B12R1.226 CC(C)CSc1cccc(c1)O 62a_100000210624_100000211634 [0,1,0,0,0,1|1,0,0]=3 5515 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_100000210624_114929384022 [0,1,0,0,0,1|1,0,0]=3 5516 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_114929384022_100000210760 [0,1,0,0,0,1|1,0,0]=3 5517 B12R1.226 CC(C)CSc1cccc(n1)Br 62a_100000210624_100000684672 [0,1,0,0,0,1|0,0,0]=2 5518 B12R1.226 CC(C)CSc1cccc(n1)Br 62a_100000684672_100000210760 [0,1,0,0,0,1|0,0,0]=2 5519 B12R1.226 CC(C)CSc1cccc(n1)Cl 62a_100000051397_100000210760 [0,1,0,0,0,1|0,0,0]=2 5520 B12R1.226 CC(C)CSc1cccc(n1)Cl 62a_100000210624_100000051397 [0,1,0,0,0,1|0,0,0]=2 5521 B12R1.226 CC(C)CSc1cccc(n1)F 62a_100000210624_100009815982 [0,1,0,0,0,1|0,0,0]=2 5522 B12R1.226 CC(C)CSc1cccc(n1)F 62a_100009815982_100000210760 [0,1,0,0,0,1|0,0,0]=2 5523 B12R1.226 CC(C)CSc1cccc(n1)N 62a_100000210624_100000740741 [0,1,0,0,0,1|0,0,0]=2 5524 B12R1.226 CC(C)CSc1cccc(n1)N 62a_100000740741_100000210760 [0,1,0,0,0,1|0,0,0]=2 5525 B12R1.226 CC(C)CSc1ccnc(c1)Br 62a_100000210624_100009814637 [0,1,0,0,0,1|2,0,0]=4 5526 B12R1.226 CC(C)CSc1ccnc(c1)Br 62a_100009814637_100000210760 [0,1,0,0,0,1|2,0,0]=4 5527 B12R1.226 CC(C)CSc1ccnc(c1)Cl 62a_100000035001_100000210760 [0,1,0,0,0,1|2,0,0]=4 5528 B12R1.226 CC(C)CSc1ccnc(c1)Cl 62a_100000210624_100000035001 [0,1,0,0,0,1|2,0,0]=4 5529 B12R1.226 CC(C)CSc1ccnc(c1)F 62a_100000210624_100009816116 [0,1,0,0,0,1|2,0,0]=4 5530 B12R1.226 CC(C)CSc1ccnc(c1)F 62a_100009816116_100000210760 [0,1,0,0,0,1|2,0,0]=4 5531 B12R1.226 CC(C)CSc1ccnc(c1)N 62a_100000049665_100000210760 [0,1,0,0,0,1|2,0,0]=4 5532 B12R1.226 CC(C)CSc1ccnc(c1)N 62a_100000210624_100000049665 [0,1,0,0,0,1|2,0,0]=4 5533 B12R1.226 CC(C)CSc1ccnc(n1)Cl 62a_100000210624_100010154678 [0,1,0,0,0,1|1,0,0]=3 5534 B12R1.226 CC(C)CSc1ccnc(n1)Cl 62a_100010154678_100000210760 [0,1,0,0,0,1|1,0,0]=3 5535 B12R1.226 CC(C)CSc1ccnc(n1)N 62a_100000055538_100000210760 [0,1,0,0,0,1|1,0,0]=3 5536 B12R1.226 CC(C)CSc1ccnc(n1)N 62a_100000210624_100000055538 [0,1,0,0,0,1|1,0,0]=3 5537 B12R1.226 CC(C)CSc1cncc(c1)Br 62a_100000210624_100000728054 [0,1,0,0,0,1|2,0,0]=4 5538 B12R1.226 CC(C)CSc1cncc(c1)Br 62a_100000728054_100000210760 [0,1,0,0,0,1|2,0,0]=4 5539 B12R1.226 CC(C)CSc1cncc(c1)Cl 62a_100000049639_100000210760 [0,1,0,0,0,1|2,0,0]=4 5540 B12R1.226 CC(C)CSc1cncc(c1)Cl 62a_100000210624_100000049639 [0,1,0,0,0,1|2,0,0]=4 5541 B12R1.226 CC(C)CSc1cncc(c1)F 62a_100000210624_100000744099 [0,1,0,0,0,1|2,0,0]=4 5542 B12R1.226 CC(C)CSc1cncc(c1)F 62a_100000744099_100000210760 [0,1,0,0,0,1|2,0,0]=4 5543 B12R1.226 CC(C)CSc1cncc(c1)N 62a_100000210624_100000687067 [0,1,0,0,0,1|2,0,0]=4 5544 B12R1.226 CC(C)CSc1cncc(c1)N 62a_100000687067_100000210760 [0,1,0,0,0,1|2,0,0]=4 5545 B12R1.226 CC(C)CSc1cncc(c1)O 62a_100000210624_100000754920 [0,1,0,0,0,1|2,0,0]=4 5546 B12R1.226 CC(C)CSc1cncc(c1)O 62a_100000754920_100000210760 [0,1,0,0,0,1|2,0,0]=4 5547 B12R1.226 CC(C)CSc1cncc(n1)Cl 62a_100000210624_100010892449 [0,1,0,0,0,1|1,0,0]=3 5548 B12R1.226 CC(C)CSc1cncc(n1)Cl 62a_100010892449_100000210760 [0,1,0,0,0,1|1,0,0]=3 5549 B12R1.226 CC(C)CSc1cncc(n1)F 62a_100000210624_200009863489 [0,1,0,0,0,1|1,0,0]=3 5550 B12R1.226 CC(C)CSc1cncc(n1)F 62a_200009863489_100000210760 [0,1,0,0,0,1|1,0,0]=3 5551 B12R1.226 CC(C)CSc1cncc(n1)N 62a_100000210624_100000747728 [0,1,0,0,0,1|1,0,0]=3 5552 B12R1.226 CC(C)CSc1cncc(n1)N 62a_100000747728_100000210760 [0,1,0,0,0,1|1,0,0]=3 5553 B12R1.226 CC(C)CSc1cncc(n1)O 62a_100000210624_100011269956 [0,1,0,0,0,1|1,0,0]=3 5554 B12R1.226 CC(C)CSc1nccc(n1)N 62a_100000210624_100000757536 [0,1,0,0,0,1|1,0,0]=3 5555 B12R1.226 CC(C)CSc1nccc(n1)N 62a_100000757536_100000210760 [0,1,0,0,0,1|1,0,0]=3 5556 B12R1.226 CC(C)CSc1nccc(n1)O 62a_100000210624_100011649813 [0,1,0,0,0,1|1,0,0]=3 5557 B12R1.226 CC(C)CSc1ncnc(n1)N 62a_100000123831_100000210760 [0,1,0,0,0,1|2,0,0]=4 5558 B12R1.226 CC(C)CSc1ncnc(n1)N 62a_100000210624_100000123831 [0,1,0,0,0,1|2,0,0]=4 5559 B12R1.226 CC(C)NCc1cc(ccn1)Br 2230a_100138425928_100010173614 [0,1,0,0,0,1|0,0,0]=2 5560 B12R1.226 CC(C)NCc1cc(ccn1)Br 34a_100138425928_100010173614 [0,1,0,0,0,1|0,0,0]=2 5561 B12R1.226 CC(C)NCc1cc(ccn1)Cl 2230a_100138425928_100016988179 [0,1,0,0,0,1|0,0,0]=2 5562 B12R1.226 CC(C)NCc1cc(ccn1)Cl 34a_100138425928_100016988179 [0,1,0,0,0,1|0,0,0]=2 5563 B12R1.226 CC(C)NCc1cccc(=O)[nH]1 207a_100138425928_100011935257 [0,1,0,0,0,1|0,0,1]=3 5564 B12R1.226 CC(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100000210206 [0,1,0,0,0,1|0,0,1]=3 5565 B12R1.226 CC(C)NCc1cccc(c1)Br 207a_100138425928_100000210085 [0,1,0,0,0,1|1,0,0]=3 5566 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100000174977_100000210206 [0,1,0,0,0,1|1,0,0]=3 5567 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100138425928_100000698116 [0,1,0,0,0,1|1,0,0]=3 5568 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100000174977_100000210206 [0,1,0,0,0,1|1,0,0]=3 5569 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100138425928_100000698116 [0,1,0,0,0,1|1,0,0]=3 5570 B12R1.226 CC(C)NCc1cccc(c1)Cl 207a_100138425928_100000210801 [0,1,0,0,0,1|1,0,0]=3 5571 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000210206 [0,1,0,0,0,1|1,0,0]=3 5572 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100138425928_100000181238 [0,1,0,0,0,1|1,0,0]=3 5573 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100000174878_100000210206 [0,1,0,0,0,1|1,0,0]=3 5574 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100138425928_100000187163 [0,1,0,0,0,1|1,0,0]=3 5575 B12R1.226 CC(C)NCc1cccc(c1)F 207a_100138425928_100000210812 [0,1,0,0,0,1|1,0,0]=3 5576 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100000174948_100000210206 [0,1,0,0,0,1|1,0,0]=3 5577 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100138425928_100000230114 [0,1,0,0,0,1|1,0,0]=3 5578 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100000174948_100000210206 [0,1,0,0,0,1|1,0,0]=3 5579 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100138425928_100000187166 [0,1,0,0,0,1|1,0,0]=3 5580 B12R1.226 CC(C)NCc1cccc(c1)I 207a_100138425928_100000014684 [0,1,0,0,0,1|1,0,0]=3 5581 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100000106179_100000210206 [0,1,0,0,0,1|1,0,0]=3 5582 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100138425928_100011218688 [0,1,0,0,0,1|1,0,0]=3 5583 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100000106179_100000210206 [0,1,0,0,0,1|1,0,0]=3 5584 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100138425928_100011218688 [0,1,0,0,0,1|1,0,0]=3 5585 B12R1.226 CC(C)NCc1cccc(c1)O 207a_100138425928_100000188321 [0,1,0,0,0,1|1,0,0]=3 5586 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100000743036_100000210206 [0,1,0,0,0,1|1,0,0]=3 5587 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100138425928_100011660834 [0,1,0,0,0,1|1,0,0]=3 5588 B12R1.226 CC(C)NCc1cccc(c1)O 271570a_203496583355_100000195767 [0,1,0,0,0,1|1,0,0]=3 5589 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100000743036_100000210206 [0,1,0,0,0,1|1,0,0]=3 5590 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100138425928_100011660834 [0,1,0,0,0,1|1,0,0]=3 5591 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100016987751_100000210206 [0,1,0,0,0,1|0,0,0]=2 5592 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100138425928_100009889011 [0,1,0,0,0,1|0,0,0]=2 5593 B12R1.226 CC(C)NCc1cccc(n1)Br 34a_100138425928_100009889011 [0,1,0,0,0,1|0,0,0]=2 5594 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100016990191_100000210206 [0,1,0,0,0,1|0,0,0]=2 5595 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100138425928_100000086093 [0,1,0,0,0,1|0,0,0]=2 5596 B12R1.226 CC(C)NCc1cccc(n1)Cl 34a_100138425928_100000086093 [0,1,0,0,0,1|0,0,0]=2 5597 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100015188798_100000210206 [0,1,0,0,0,1|0,0,0]=2 5598 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100138425928_100009819644 [0,1,0,0,0,1|0,0,0]=2 5599 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100015188798_100000210206 [0,1,0,0,0,1|0,0,0]=2 5600 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100138425928_100009819644 [0,1,0,0,0,1|0,0,0]=2 5601 B12R1.226 CC(C)NCc1ccnc(c1)Br 2230a_100025757509_100000210206 [0,1,0,0,0,1|2,0,0]=4 5602 B12R1.226 CC(C)NCc1ccnc(c1)Br 2230a_100138425928_100010243470 [0,1,0,0,0,1|2,0,0]=4 5603 B12R1.226 CC(C)NCc1ccnc(c1)Br 34a_100025757509_100000210206 [0,1,0,0,0,1|2,0,0]=4 5604 B12R1.226 CC(C)NCc1ccnc(c1)Br 34a_100138425928_100010243470 [0,1,0,0,0,1|2,0,0]=4 5605 B12R1.226 CC(C)NCc1ccnc(c1)Cl 2230a_100015205668_100000210206 [0,1,0,0,0,1|2,0,0]=4 5606 B12R1.226 CC(C)NCc1ccnc(c1)Cl 2230a_100138425928_100000764220 [0,1,0,0,0,1|2,0,0]=4 5607 B12R1.226 CC(C)NCc1ccnc(c1)Cl 34a_100015205668_100000210206 [0,1,0,0,0,1|2,0,0]=4 5608 B12R1.226 CC(C)NCc1ccnc(c1)Cl 34a_100138425928_100000764220 [0,1,0,0,0,1|2,0,0]=4 5609 B12R1.226 CC(C)NCc1ccnc(c1)F 2230a_100015188774_100000210206 [0,1,0,0,0,1|2,0,0]=4 5610 B12R1.226 CC(C)NCc1ccnc(c1)F 34a_100015188774_100000210206 [0,1,0,0,0,1|2,0,0]=4 5611 B12R1.226 CC(C)NCc1ccnc(c1)O 207a_100138425928_100000688113 [0,1,0,0,0,1|2,0,0]=4 5612 B12R1.226 CC(C)NCc1ccnc(n1)Cl 2230a_100138425928_100000099655 [0,1,0,0,0,1|1,0,0]=3 5613 B12R1.226 CC(C)NCc1ccnc(n1)Cl 34a_100138425928_100000099655 [0,1,0,0,0,1|1,0,0]=3 5614 B12R1.226 CC(C)NCc1cncc(c1)Br 207a_100138425928_100000687066 [0,1,0,0,0,1|2,0,0]=4 5615 B12R1.226 CC(C)NCc1cncc(c1)Br 2230a_100138425928_100000738771 [0,1,0,0,0,1|2,0,0]=4 5616 B12R1.226 CC(C)NCc1cncc(c1)Br 34a_100138425928_100000738771 [0,1,0,0,0,1|2,0,0]=4 5617 B12R1.226 CC(C)NCc1cncc(c1)Cl 207a_100138425928_100000088910 [0,1,0,0,0,1|2,0,0]=4 5618 B12R1.226 CC(C)NCc1cncc(c1)Cl 2230a_100138425928_100016992070 [0,1,0,0,0,1|2,0,0]=4 5619 B12R1.226 CC(C)NCc1cncc(c1)Cl 2230a_200020614424_100000210206 [0,1,0,0,0,1|2,0,0]=4 5620 B12R1.226 CC(C)NCc1cncc(c1)Cl 34a_100138425928_100016992070 [0,1,0,0,0,1|2,0,0]=4 5621 B12R1.226 CC(C)NCc1cncc(c1)F 207a_100138425928_100011361476 [0,1,0,0,0,1|2,0,0]=4 5622 B12R1.226 CC(C)NCc1cncc(c1)F 2230a_100011962886_100000210206 [0,1,0,0,0,1|2,0,0]=4 5623 B12R1.226 CC(C)NCc1cncc(c1)F 2230a_100138425928_100000725299 [0,1,0,0,0,1|2,0,0]=4 5624 B12R1.226 CC(C)NCc1cncc(c1)F 34a_100011962886_100000210206 [0,1,0,0,0,1|2,0,0]=4 5625 B12R1.226 CC(C)NCc1cncc(c1)F 34a_100138425928_100000725299 [0,1,0,0,0,1|2,0,0]=4 5626 B12R1.226 CC(C)NCc1cncc(c1)O 207a_100138425928_100012187055 [0,1,0,0,0,1|2,0,0]=4 5627 B12R1.226 CC(C)OCc1cc(ccn1)Br 34a_100000212225_100010173614 [0,1,0,0,0,1|0,0,0]=2 5628 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000212225_100016988179 [0,1,0,0,0,1|0,0,0]=2 5629 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000748867_100000210206 [0,1,0,0,0,1|0,0,0]=2 5630 B12R1.226 CC(C)OCc1cc(ccn1)N 34a_100000692640_100000210206 [0,1,0,0,0,1|0,0,0]=2 5631 B12R1.226 CC(C)OCc1ccc[n+](c1)[O-] 34a_100000037817_100000210206 [0,1,0,0,0,1|2,0,0]=4 5632 B12R1.226 CC(C)OCc1ccc[n+](c1)[O-] 7a_100000037817_100000210206 [0,1,0,0,0,1|2,0,0]=4 5633 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000212225_100000698116 [0,1,0,0,0,1|1,0,0]=3 5634 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000687537_100000210206 [0,1,0,0,0,1|1,0,0]=3 5635 B12R1.226 CC(C)OCc1cccc(c1)Br 7a_100000687537_100000210206 [0,1,0,0,0,1|1,0,0]=3 5636 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000212225_100000187163 [0,1,0,0,0,1|1,0,0]=3 5637 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000241301_100000210206 [0,1,0,0,0,1|1,0,0]=3 5638 B12R1.226 CC(C)OCc1cccc(c1)Cl 7a_100000241301_100000210206 [0,1,0,0,0,1|1,0,0]=3 5639 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000210976_100000210206 [0,1,0,0,0,1|1,0,0]=3 5640 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000212225_100000187166 [0,1,0,0,0,1|1,0,0]=3 5641 B12R1.226 CC(C)OCc1cccc(c1)F 7a_100000210976_100000210206 [0,1,0,0,0,1|1,0,0]=3 5642 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100000212225_100011218688 [0,1,0,0,0,1|1,0,0]=3 5643 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100011215336_100000210206 [0,1,0,0,0,1|1,0,0]=3 5644 B12R1.226 CC(C)OCc1cccc(c1)I 7a_100011215336_100000210206 [0,1,0,0,0,1|1,0,0]=3 5645 B12R1.226 CC(C)OCc1cccc(c1)N 34a_100000211919_100000210206 [0,1,0,0,0,1|1,0,0]=3 5646 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [0,1,0,0,0,1|1,0,0]=3 5647 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000212225_100009889011 [0,1,0,0,0,1|0,0,0]=2 5648 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000694195_100000210206 [0,1,0,0,0,1|0,0,0]=2 5649 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100000212225_100000086093 [0,1,0,0,0,1|0,0,0]=2 5650 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100011998359_100000210206 [0,1,0,0,0,1|0,0,0]=2 5651 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000086748_100000210206 [0,1,0,0,0,1|0,0,0]=2 5652 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000212225_100009819644 [0,1,0,0,0,1|0,0,0]=2 5653 B12R1.226 CC(C)OCc1ccnc(c1)Br 34a_100000212225_100010243470 [0,1,0,0,0,1|2,0,0]=4 5654 B12R1.226 CC(C)OCc1ccnc(c1)Br 34a_100009814636_100000210206 [0,1,0,0,0,1|2,0,0]=4 5655 B12R1.226 CC(C)OCc1ccnc(c1)Br 7a_100009814636_100000210206 [0,1,0,0,0,1|2,0,0]=4 5656 B12R1.226 CC(C)OCc1ccnc(c1)Cl 34a_100000212225_100000764220 [0,1,0,0,0,1|2,0,0]=4 5657 B12R1.226 CC(C)OCc1ccnc(c1)Cl 34a_100000748751_100000210206 [0,1,0,0,0,1|2,0,0]=4 5658 B12R1.226 CC(C)OCc1ccnc(c1)F 34a_100000082451_100000210206 [0,1,0,0,0,1|2,0,0]=4 5659 B12R1.226 CC(C)OCc1ccnc(n1)Cl 34a_100000212225_100000099655 [0,1,0,0,0,1|1,0,0]=3 5660 B12R1.226 CC(C)OCc1cncc(c1)Br 34a_100000212225_100000738771 [0,1,0,0,0,1|2,0,0]=4 5661 B12R1.226 CC(C)OCc1cncc(c1)Br 34a_100011259137_100000210206 [0,1,0,0,0,1|2,0,0]=4 5662 B12R1.226 CC(C)OCc1cncc(c1)Br 7a_100011259137_100000210206 [0,1,0,0,0,1|2,0,0]=4 5663 B12R1.226 CC(C)OCc1cncc(c1)Cl 34a_100000092867_100000210206 [0,1,0,0,0,1|2,0,0]=4 5664 B12R1.226 CC(C)OCc1cncc(c1)Cl 34a_100000212225_100016992070 [0,1,0,0,0,1|2,0,0]=4 5665 B12R1.226 CC(C)OCc1cncc(c1)Cl 7a_100000092867_100000210206 [0,1,0,0,0,1|2,0,0]=4 5666 B12R1.226 CC(C)OCc1cncc(c1)F 34a_100000212225_100000725299 [0,1,0,0,0,1|2,0,0]=4 5667 B12R1.226 CC(C)OCc1cncc(c1)F 34a_100011962875_100000210206 [0,1,0,0,0,1|2,0,0]=4 5668 B12R1.226 CC(C)OCc1cncc(c1)F 7a_100011962875_100000210206 [0,1,0,0,0,1|2,0,0]=4 5669 B12R1.226 CC(C)OCc1cncc(c1)N 34a_100000085308_100000210206 [0,1,0,0,0,1|2,0,0]=4 5670 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100000210206_100010173614 [0,1,0,0,0,1|0,0,0]=2 5671 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100010173614_100000210206 [0,1,0,0,0,1|0,0,0]=2 5672 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100000210206_100016988179 [0,1,0,0,0,1|0,0,0]=2 5673 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100016988179_100000210206 [0,1,0,0,0,1|0,0,0]=2 5674 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000210206_100000211773 [0,1,0,0,0,1|1,0,0]=3 5675 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000211773_100000210206 [0,1,0,0,0,1|1,0,0]=3 5676 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000187163_100000210206 [0,1,0,0,0,1|1,0,0]=3 5677 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000210206_100000187163 [0,1,0,0,0,1|1,0,0]=3 5678 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000210206_100000230114 [0,1,0,0,0,1|1,0,0]=3 5679 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000230114_100000210206 [0,1,0,0,0,1|1,0,0]=3 5680 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100000210206_100011218688 [0,1,0,0,0,1|1,0,0]=3 5681 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100011218688_100000210206 [0,1,0,0,0,1|1,0,0]=3 5682 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100000210206_100011660834 [0,1,0,0,0,1|1,0,0]=3 5683 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100011660834_100000210206 [0,1,0,0,0,1|1,0,0]=3 5684 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100000210206_100009889011 [0,1,0,0,0,1|0,0,0]=2 5685 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100009889011_100000210206 [0,1,0,0,0,1|0,0,0]=2 5686 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000086093_100000210206 [0,1,0,0,0,1|0,0,0]=2 5687 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000210206_100000086093 [0,1,0,0,0,1|0,0,0]=2 5688 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100000210206_100009819644 [0,1,0,0,0,1|0,0,0]=2 5689 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100009819644_100000210206 [0,1,0,0,0,1|0,0,0]=2 5690 B12R1.226 CC(C)SCc1ccnc(c1)Br 62a_100000210206_100010243470 [0,1,0,0,0,1|2,0,0]=4 5691 B12R1.226 CC(C)SCc1ccnc(c1)Br 62a_100010254460_100000210206 [0,1,0,0,0,1|2,0,0]=4 5692 B12R1.226 CC(C)SCc1ccnc(c1)Cl 62a_100000210206_100000764220 [0,1,0,0,0,1|2,0,0]=4 5693 B12R1.226 CC(C)SCc1ccnc(c1)Cl 62a_100000764220_100000210206 [0,1,0,0,0,1|2,0,0]=4 5694 B12R1.226 CC(C)SCc1ccnc(n1)Cl 62a_100000099655_100000210206 [0,1,0,0,0,1|1,0,0]=3 5695 B12R1.226 CC(C)SCc1ccnc(n1)Cl 62a_100000210206_100000099655 [0,1,0,0,0,1|1,0,0]=3 5696 B12R1.226 CC(C)SCc1cncc(c1)Br 62a_100000210206_100000738771 [0,1,0,0,0,1|2,0,0]=4 5697 B12R1.226 CC(C)SCc1cncc(c1)Br 62a_100000738771_100000210206 [0,1,0,0,0,1|2,0,0]=4 5698 B12R1.226 CC(C)SCc1cncc(c1)Cl 62a_100000210206_100016992070 [0,1,0,0,0,1|2,0,0]=4 5699 B12R1.226 CC(C)SCc1cncc(c1)Cl 62a_100016992070_100000210206 [0,1,0,0,0,1|2,0,0]=4 5700 B12R1.226 CC(C)SCc1cncc(c1)F 62a_100000210206_100000725299 [0,1,0,0,0,1|2,0,0]=4 5701 B12R1.226 CC(C)SCc1cncc(c1)F 62a_100000725299_100000210206 [0,1,0,0,0,1|2,0,0]=4 5702 B12R1.226 CC(O)C=Cc1cc(ccn1)Cl 271570a_200011019289_100010167805 [0,1,0,0,0,1|1,0,1]=4 5703 B12R1.226 CC(O)C=Cc1cc(ccn1)F 271570a_200011019289_100009817058 [0,1,0,0,0,1|1,0,1]=4 5704 B12R1.226 CC(O)C=Cc1cc(ccn1)N 271570a_200011019289_100009814236 [0,1,0,0,0,1|1,0,1]=4 5705 B12R1.226 CC(O)C=Cc1cc(ccn1)O 271570a_200011019289_100000762945 [0,1,0,0,0,1|1,0,1]=4 5706 B12R1.226 CC(O)C=Cc1cccc(n1)Br 271570a_200011019289_100000684672 [0,1,0,0,0,1|1,0,1]=4 5707 B12R1.226 CC(O)C=Cc1cccc(n1)F 271570a_200011019289_100009815982 [0,1,0,0,0,1|1,0,1]=4 5708 B12R1.226 CC(O)C=Cc1cccc(n1)N 271570a_200011019289_100000740741 [0,1,0,0,0,1|1,0,1]=4 5709 B12R1.226 CC(O)CNc1c[n+](ccn1)[O-] 27a_100000210904_100009880115 [0,1,0,0,0,1|2,0,0]=4 5710 B12R1.226 CC(O)CNc1cc(ccn1)F 27a_100000210904_100000764206 [0,1,0,0,0,1|1,0,0]=3 5711 B12R1.226 CC(O)CNc1cc(ncn1)F 27a_100000210904_200009880791 [0,1,0,0,0,1|2,0,0]=4 5712 B12R1.226 CC(O)CNc1cc(ncn1)N 27a_100000210904_100000701291 [0,1,0,0,0,1|2,0,0]=4 5713 B12R1.226 CC(O)CNc1cc(ncn1)O 27a_100000210904_100000765262 [0,1,0,0,0,1|2,0,0]=4 5714 B12R1.226 CC(O)CNc1cc[nH]c(=O)n1 27a_100000210904_200000134032 [0,1,0,0,0,1|2,0,0]=4 5715 B12R1.226 CC(O)CNc1cccc(c1)Br 34a_100000210019_100011218427 [0,1,0,0,0,1|2,0,0]=4 5716 B12R1.226 CC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218427 [0,1,0,0,0,1|2,0,0]=4 5717 B12R1.226 CC(O)CNc1cccc(c1)F 34a_100000210047_100011218427 [0,1,0,0,0,1|2,0,0]=4 5718 B12R1.226 CC(O)CNc1cccc(c1)I 34a_100000211102_100011218427 [0,1,0,0,0,1|2,0,0]=4 5719 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [0,1,0,0,0,1|2,0,0]=4 5720 B12R1.226 CC(O)CNc1cccc(n1)F 27a_100000210904_100009815982 [0,1,0,0,0,1|1,0,0]=3 5721 B12R1.226 CC(O)CNc1ccnc(n1)N 27a_100000210904_100000055538 [0,1,0,0,0,1|2,0,0]=4 5722 B12R1.226 CC(O)CNc1cncc(n1)Cl 27a_100000210904_100010892449 [0,1,0,0,0,1|2,0,0]=4 5723 B12R1.226 CC(O)CNc1cncc(n1)F 27a_100000210904_200009863489 [0,1,0,0,0,1|2,0,0]=4 5724 B12R1.226 CC(O)CNc1nccc(n1)N 27a_100000210904_100000757536 [0,1,0,0,0,1|2,0,0]=4 5725 B12R1.226 CC(O)CNc1nccc(n1)O 27a_100000210904_100011649813 [0,1,0,0,0,1|2,0,0]=4 5726 B12R1.226 CC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218427 [0,1,0,0,0,1|1,0,1]=4 5727 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,1,0,0,0,1|2,0,0]=4 5728 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,1,0,0,0,1|2,0,0]=4 5729 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,1,0,0,0,1|2,0,0]=4 5730 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,1,0,0,0,1|2,0,0]=4 5731 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,1,0,0,0,1|2,0,0]=4 5732 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,1,0,0,0,1|2,0,0]=4 5733 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,1,0,0,0,1|2,0,0]=4 5734 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,1,0,0,0,1|2,0,0]=4 5735 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,1,0,0,0,1|2,0,0]=4 5736 B12R1.226 CC(O)COc1cccc(n1)F 34a_100011432558_100011218427 [0,1,0,0,0,1|1,0,0]=3 5737 B12R1.226 CC(O)CSc1c[n+](ccn1)[O-] 62a_100011218427_100009880115 [0,1,0,0,0,1|2,0,0]=4 5738 B12R1.226 CC(O)CSc1cc(=O)[nH]cn1 62a_100012002517_100011218427 [0,1,0,0,0,1|2,0,0]=4 5739 B12R1.226 CC(O)CSc1cc(=O)cc[nH]1 62a_100009817434_100011218427 [0,1,0,0,0,1|1,0,1]=4 5740 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218427 [0,1,0,0,0,1|1,0,0]=3 5741 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100011218427_100010167805 [0,1,0,0,0,1|1,0,0]=3 5742 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100000764206_100011218427 [0,1,0,0,0,1|1,0,0]=3 5743 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100011218427_100000764206 [0,1,0,0,0,1|1,0,0]=3 5744 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100009814236_100011218427 [0,1,0,0,0,1|1,0,0]=3 5745 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100011218427_100009814236 [0,1,0,0,0,1|1,0,0]=3 5746 B12R1.226 CC(O)CSc1cc(ccn1)O 62a_100011218427_100000762945 [0,1,0,0,0,1|1,0,0]=3 5747 B12R1.226 CC(O)CSc1cc(cnn1)N 62a_100011218427_100011996757 [0,1,0,0,0,1|2,0,0]=4 5748 B12R1.226 CC(O)CSc1cc(cnn1)N 62a_100011996757_100011218427 [0,1,0,0,0,1|2,0,0]=4 5749 B12R1.226 CC(O)CSc1cc(cnn1)O 62a_100011218427_200010734679 [0,1,0,0,0,1|2,0,0]=4 5750 B12R1.226 CC(O)CSc1cc(ncn1)Cl 62a_100010161198_100011218427 [0,1,0,0,0,1|2,0,0]=4 5751 B12R1.226 CC(O)CSc1cc(ncn1)Cl 62a_100011218427_100010161198 [0,1,0,0,0,1|2,0,0]=4 5752 B12R1.226 CC(O)CSc1cc(ncn1)F 62a_100011218427_200009880791 [0,1,0,0,0,1|2,0,0]=4 5753 B12R1.226 CC(O)CSc1cc(ncn1)F 62a_200009880791_100011218427 [0,1,0,0,0,1|2,0,0]=4 5754 B12R1.226 CC(O)CSc1cc(ncn1)N 62a_100000701291_100011218427 [0,1,0,0,0,1|2,0,0]=4 5755 B12R1.226 CC(O)CSc1cc(ncn1)N 62a_100011218427_100000701291 [0,1,0,0,0,1|2,0,0]=4 5756 B12R1.226 CC(O)CSc1cc(ncn1)O 62a_100011218427_100000765262 [0,1,0,0,0,1|2,0,0]=4 5757 B12R1.226 CC(O)CSc1cc[nH]c(=O)n1 62a_100011218427_200000134032 [0,1,0,0,0,1|2,0,0]=4 5758 B12R1.226 CC(O)CSc1cccc(=O)[nH]1 62a_100011218427_100000752884 [0,1,0,0,0,1|1,0,1]=4 5759 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100000691529_100011218427 [0,1,0,0,0,1|2,0,0]=4 5760 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100011218427_100000691529 [0,1,0,0,0,1|2,0,0]=4 5761 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218427 [0,1,0,0,0,1|2,0,0]=4 5762 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100011218427_100000699651 [0,1,0,0,0,1|2,0,0]=4 5763 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100000685547_100011218427 [0,1,0,0,0,1|2,0,0]=4 5764 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100011218427_100000685547 [0,1,0,0,0,1|2,0,0]=4 5765 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [0,1,0,0,0,1|2,0,0]=4 5766 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [0,1,0,0,0,1|2,0,0]=4 5767 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [0,1,0,0,0,1|2,0,0]=4 5768 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_100011218427_114929384022 [0,1,0,0,0,1|2,0,0]=4 5769 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218427 [0,1,0,0,0,1|2,0,0]=4 5770 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100000684672_100011218427 [0,1,0,0,0,1|1,0,0]=3 5771 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100011218427_100000684672 [0,1,0,0,0,1|1,0,0]=3 5772 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218427 [0,1,0,0,0,1|1,0,0]=3 5773 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100011218427_100000051397 [0,1,0,0,0,1|1,0,0]=3 5774 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100009815982_100011218427 [0,1,0,0,0,1|1,0,0]=3 5775 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100011218427_100009815982 [0,1,0,0,0,1|1,0,0]=3 5776 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100000740741_100011218427 [0,1,0,0,0,1|1,0,0]=3 5777 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100011218427_100000740741 [0,1,0,0,0,1|1,0,0]=3 5778 B12R1.226 CC(O)CSc1ccnc(n1)Cl 62a_100010154678_100011218427 [0,1,0,0,0,1|2,0,0]=4 5779 B12R1.226 CC(O)CSc1ccnc(n1)Cl 62a_100011218427_100010154678 [0,1,0,0,0,1|2,0,0]=4 5780 B12R1.226 CC(O)CSc1ccnc(n1)N 62a_100000055538_100011218427 [0,1,0,0,0,1|2,0,0]=4 5781 B12R1.226 CC(O)CSc1ccnc(n1)N 62a_100011218427_100000055538 [0,1,0,0,0,1|2,0,0]=4 5782 B12R1.226 CC(O)CSc1cncc(n1)Cl 62a_100010892449_100011218427 [0,1,0,0,0,1|2,0,0]=4 5783 B12R1.226 CC(O)CSc1cncc(n1)Cl 62a_100011218427_100010892449 [0,1,0,0,0,1|2,0,0]=4 5784 B12R1.226 CC(O)CSc1cncc(n1)F 62a_100011218427_200009863489 [0,1,0,0,0,1|2,0,0]=4 5785 B12R1.226 CC(O)CSc1cncc(n1)F 62a_200009863489_100011218427 [0,1,0,0,0,1|2,0,0]=4 5786 B12R1.226 CC(O)CSc1cncc(n1)N 62a_100000747728_100011218427 [0,1,0,0,0,1|2,0,0]=4 5787 B12R1.226 CC(O)CSc1cncc(n1)N 62a_100011218427_100000747728 [0,1,0,0,0,1|2,0,0]=4 5788 B12R1.226 CC(O)CSc1cncc(n1)O 62a_100011218427_100011269956 [0,1,0,0,0,1|2,0,0]=4 5789 B12R1.226 CC(O)CSc1nccc(n1)N 62a_100000757536_100011218427 [0,1,0,0,0,1|2,0,0]=4 5790 B12R1.226 CC(O)CSc1nccc(n1)N 62a_100011218427_100000757536 [0,1,0,0,0,1|2,0,0]=4 5791 B12R1.226 CC(O)CSc1nccc(n1)O 62a_100011218427_100011649813 [0,1,0,0,0,1|2,0,0]=4 5792 B12R1.226 CN(C)CCc1cccc(c1)Br 2230a_100102631434_100011740638 [0,1,0,0,0,1|2,0,0]=4 5793 B12R1.226 CN(C)CCc1cccc(c1)Br 269982a_100102631434_100011740638 [0,1,0,0,0,1|2,0,0]=4 5794 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_100102631434_100011713710 [0,1,0,0,0,1|2,0,0]=4 5795 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_106726388433_200000210301 [0,1,0,0,0,1|2,0,0]=4 5796 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_100102631434_100011713710 [0,1,0,0,0,1|2,0,0]=4 5797 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_106726388433_200000210301 [0,1,0,0,0,1|2,0,0]=4 5798 B12R1.226 CN(C)CCc1cccc(c1)Cl 34a_106726388433_200000210301 [0,1,0,0,0,1|2,0,0]=4 5799 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_100102631434_100011217235 [0,1,0,0,0,1|2,0,0]=4 5800 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_106726388868_200000210301 [0,1,0,0,0,1|2,0,0]=4 5801 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_100102631434_100011217235 [0,1,0,0,0,1|2,0,0]=4 5802 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_106726388868_200000210301 [0,1,0,0,0,1|2,0,0]=4 5803 B12R1.226 CN(C)CCc1cccc(c1)F 34a_106726388868_200000210301 [0,1,0,0,0,1|2,0,0]=4 5804 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 2230a_106726388433_200025704644 [0,1,0,0,0,1|2,0,0]=4 5805 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 269982a_106726388433_200025704644 [0,1,0,0,0,1|2,0,0]=4 5806 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 34a_106726388433_200025704644 [0,1,0,0,0,1|2,0,0]=4 5807 B12R1.226 CN([13CH3])CCc1cccc(c1)F 2230a_106726388868_200025704644 [0,1,0,0,0,1|2,0,0]=4 5808 B12R1.226 CN([13CH3])CCc1cccc(c1)F 269982a_106726388868_200025704644 [0,1,0,0,0,1|2,0,0]=4 5809 B12R1.226 CN([13CH3])CCc1cccc(c1)F 34a_106726388868_200025704644 [0,1,0,0,0,1|2,0,0]=4 5810 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 34a_100000210019_100009817552 [0,1,0,0,0,1|2,0,0]=4 5811 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009817552 [0,1,0,0,0,1|2,0,0]=4 5812 B12R1.226 C[C@@H](O)CNc1cccc(c1)F 34a_100000210047_100009817552 [0,1,0,0,0,1|2,0,0]=4 5813 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 34a_100000211102_100009817552 [0,1,0,0,0,1|2,0,0]=4 5814 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [0,1,0,0,0,1|2,0,0]=4 5815 B12R1.226 C[C@@H](O)COc1cccc(=O)[nH]1 34a_100000033347_100009817552 [0,1,0,0,0,1|1,0,1]=4 5816 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,1,0,0,0,1|2,0,0]=4 5817 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,1,0,0,0,1|2,0,0]=4 5818 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,1,0,0,0,1|2,0,0]=4 5819 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,1,0,0,0,1|2,0,0]=4 5820 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,1,0,0,0,1|2,0,0]=4 5821 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,1,0,0,0,1|2,0,0]=4 5822 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,1,0,0,0,1|2,0,0]=4 5823 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,1,0,0,0,1|2,0,0]=4 5824 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,1,0,0,0,1|2,0,0]=4 5825 B12R1.226 C[C@@H](O)COc1cccc(n1)F 34a_100011432558_100009817552 [0,1,0,0,0,1|1,0,0]=3 5826 B12R1.226 C[C@@H](O)CSc1c[n+](ccn1)[O-] 62a_100009817552_100009880115 [0,1,0,0,0,1|2,0,0]=4 5827 B12R1.226 C[C@@H](O)CSc1cc(=O)[nH]cn1 62a_100012002517_100009817552 [0,1,0,0,0,1|2,0,0]=4 5828 B12R1.226 C[C@@H](O)CSc1cc(=O)cc[nH]1 62a_100009817434_100009817552 [0,1,0,0,0,1|1,0,1]=4 5829 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100009817552_100010167805 [0,1,0,0,0,1|1,0,0]=3 5830 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009817552 [0,1,0,0,0,1|1,0,0]=3 5831 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100000764206_100009817552 [0,1,0,0,0,1|1,0,0]=3 5832 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100009817552_100000764206 [0,1,0,0,0,1|1,0,0]=3 5833 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009814236_100009817552 [0,1,0,0,0,1|1,0,0]=3 5834 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009817552_100009814236 [0,1,0,0,0,1|1,0,0]=3 5835 B12R1.226 C[C@@H](O)CSc1cc(ccn1)O 62a_100009817552_100000762945 [0,1,0,0,0,1|1,0,0]=3 5836 B12R1.226 C[C@@H](O)CSc1cc(cnn1)N 62a_100009817552_100011996757 [0,1,0,0,0,1|2,0,0]=4 5837 B12R1.226 C[C@@H](O)CSc1cc(cnn1)N 62a_100011996757_100009817552 [0,1,0,0,0,1|2,0,0]=4 5838 B12R1.226 C[C@@H](O)CSc1cc(cnn1)O 62a_100009817552_200010734679 [0,1,0,0,0,1|2,0,0]=4 5839 B12R1.226 C[C@@H](O)CSc1cc(ncn1)Cl 62a_100009817552_100010161198 [0,1,0,0,0,1|2,0,0]=4 5840 B12R1.226 C[C@@H](O)CSc1cc(ncn1)Cl 62a_100010161198_100009817552 [0,1,0,0,0,1|2,0,0]=4 5841 B12R1.226 C[C@@H](O)CSc1cc(ncn1)F 62a_100009817552_200009880791 [0,1,0,0,0,1|2,0,0]=4 5842 B12R1.226 C[C@@H](O)CSc1cc(ncn1)F 62a_200009880791_100009817552 [0,1,0,0,0,1|2,0,0]=4 5843 B12R1.226 C[C@@H](O)CSc1cc(ncn1)N 62a_100000701291_100009817552 [0,1,0,0,0,1|2,0,0]=4 5844 B12R1.226 C[C@@H](O)CSc1cc(ncn1)N 62a_100009817552_100000701291 [0,1,0,0,0,1|2,0,0]=4 5845 B12R1.226 C[C@@H](O)CSc1cc(ncn1)O 62a_100009817552_100000765262 [0,1,0,0,0,1|2,0,0]=4 5846 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)n1 62a_100009817552_200000134032 [0,1,0,0,0,1|2,0,0]=4 5847 B12R1.226 C[C@@H](O)CSc1cccc(=O)[nH]1 62a_100009817552_100000752884 [0,1,0,0,0,1|1,0,1]=4 5848 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100000691529_100009817552 [0,1,0,0,0,1|2,0,0]=4 5849 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100009817552_100000691529 [0,1,0,0,0,1|2,0,0]=4 5850 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009817552 [0,1,0,0,0,1|2,0,0]=4 5851 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100009817552_100000699651 [0,1,0,0,0,1|2,0,0]=4 5852 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100000685547_100009817552 [0,1,0,0,0,1|2,0,0]=4 5853 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100009817552_100000685547 [0,1,0,0,0,1|2,0,0]=4 5854 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [0,1,0,0,0,1|2,0,0]=4 5855 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [0,1,0,0,0,1|2,0,0]=4 5856 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [0,1,0,0,0,1|2,0,0]=4 5857 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_100009817552_114929384022 [0,1,0,0,0,1|2,0,0]=4 5858 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009817552 [0,1,0,0,0,1|2,0,0]=4 5859 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100000684672_100009817552 [0,1,0,0,0,1|1,0,0]=3 5860 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100009817552_100000684672 [0,1,0,0,0,1|1,0,0]=3 5861 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009817552 [0,1,0,0,0,1|1,0,0]=3 5862 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100009817552_100000051397 [0,1,0,0,0,1|1,0,0]=3 5863 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009815982_100009817552 [0,1,0,0,0,1|1,0,0]=3 5864 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009817552_100009815982 [0,1,0,0,0,1|1,0,0]=3 5865 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100000740741_100009817552 [0,1,0,0,0,1|1,0,0]=3 5866 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100009817552_100000740741 [0,1,0,0,0,1|1,0,0]=3 5867 B12R1.226 C[C@@H](O)CSc1ccnc(n1)Cl 62a_100009817552_100010154678 [0,1,0,0,0,1|2,0,0]=4 5868 B12R1.226 C[C@@H](O)CSc1ccnc(n1)Cl 62a_100010154678_100009817552 [0,1,0,0,0,1|2,0,0]=4 5869 B12R1.226 C[C@@H](O)CSc1ccnc(n1)N 62a_100000055538_100009817552 [0,1,0,0,0,1|2,0,0]=4 5870 B12R1.226 C[C@@H](O)CSc1ccnc(n1)N 62a_100009817552_100000055538 [0,1,0,0,0,1|2,0,0]=4 5871 B12R1.226 C[C@@H](O)CSc1cncc(n1)Cl 62a_100009817552_100010892449 [0,1,0,0,0,1|2,0,0]=4 5872 B12R1.226 C[C@@H](O)CSc1cncc(n1)Cl 62a_100010892449_100009817552 [0,1,0,0,0,1|2,0,0]=4 5873 B12R1.226 C[C@@H](O)CSc1cncc(n1)F 62a_100009817552_200009863489 [0,1,0,0,0,1|2,0,0]=4 5874 B12R1.226 C[C@@H](O)CSc1cncc(n1)F 62a_200009863489_100009817552 [0,1,0,0,0,1|2,0,0]=4 5875 B12R1.226 C[C@@H](O)CSc1cncc(n1)N 62a_100000747728_100009817552 [0,1,0,0,0,1|2,0,0]=4 5876 B12R1.226 C[C@@H](O)CSc1cncc(n1)N 62a_100009817552_100000747728 [0,1,0,0,0,1|2,0,0]=4 5877 B12R1.226 C[C@@H](O)CSc1cncc(n1)O 62a_100009817552_100011269956 [0,1,0,0,0,1|2,0,0]=4 5878 B12R1.226 C[C@@H](O)CSc1nccc(n1)N 62a_100000757536_100009817552 [0,1,0,0,0,1|2,0,0]=4 5879 B12R1.226 C[C@@H](O)CSc1nccc(n1)N 62a_100009817552_100000757536 [0,1,0,0,0,1|2,0,0]=4 5880 B12R1.226 C[C@@H](O)CSc1nccc(n1)O 62a_100009817552_100011649813 [0,1,0,0,0,1|2,0,0]=4 5881 B12R1.226 Cc1cc(ccn1)CNC(C)C 207a_100138425928_100011361630 [0,1,0,0,0,1|2,0,0]=4 5882 B12R1.226 Cc1cc(ccn1)CNC(C)C 2230a_100138425928_200020672517 [0,1,0,0,0,1|2,0,0]=4 5883 B12R1.226 Cc1cc(ccn1)CNC(C)C 34a_100011934566_100000210206 [0,1,0,0,0,1|2,0,0]=4 5884 B12R1.226 Cc1cc(ccn1)CNC(C)C 34a_100138425928_200020672517 [0,1,0,0,0,1|2,0,0]=4 5885 B12R1.226 Cc1cc(ccn1)COC(C)C 34a_100000212225_200020672517 [0,1,0,0,0,1|2,0,0]=4 5886 B12R1.226 Cc1cc(ccn1)COC(C)C 34a_100011998630_100000210206 [0,1,0,0,0,1|2,0,0]=4 5887 B12R1.226 Cc1cc(ccn1)CSC(C)C 62a_100000210206_200020672517 [0,1,0,0,0,1|2,0,0]=4 5888 B12R1.226 Cc1cc(ccn1)CSC(C)C 62a_200020672517_100000210206 [0,1,0,0,0,1|2,0,0]=4 5889 B12R1.226 Cc1cc(ccn1)NCC(C)C 27a_100000210953_100000758586 [0,1,0,0,0,1|2,0,0]=4 5890 B12R1.226 Cc1cc(ccn1)OCC(C)C 34a_100000688365_100000210624 [0,1,0,0,0,1|2,0,0]=4 5891 B12R1.226 Cc1cc(ccn1)SCC(C)C 62a_100000210624_100000758586 [0,1,0,0,0,1|2,0,0]=4 5892 B12R1.226 Cc1cc(ccn1)SCC(C)C 62a_100000758586_100000210760 [0,1,0,0,0,1|2,0,0]=4 5893 B12R1.226 Cc1cc(ncn1)C=CC(C)C 271570a_100016257149_100000744208 [0,1,0,0,0,1|1,0,1]=4 5894 B12R1.226 Cc1cc(ncn1)NCC(C)C 27a_100000210953_100000744208 [0,1,0,0,0,1|1,0,0]=3 5895 B12R1.226 Cc1cc(ncn1)NCC(C)O 27a_100000210904_100000744208 [0,1,0,0,0,1|2,0,0]=4 5896 B12R1.226 Cc1cc(ncn1)SCC(C)C 62a_100000210624_100000744208 [0,1,0,0,0,1|1,0,0]=3 5897 B12R1.226 Cc1cc(ncn1)SCC(C)C 62a_100000744208_100000210760 [0,1,0,0,0,1|1,0,0]=3 5898 B12R1.226 Cc1cc(ncn1)SCC(C)O 62a_100000744208_100011218427 [0,1,0,0,0,1|2,0,0]=4 5899 B12R1.226 Cc1cc(ncn1)SCC(C)O 62a_100011218427_100000744208 [0,1,0,0,0,1|2,0,0]=4 5900 B12R1.226 Cc1cc(ncn1)SC[C@@H](C)O 62a_100000744208_100009817552 [0,1,0,0,0,1|2,0,0]=4 5901 B12R1.226 Cc1cc(ncn1)SC[C@@H](C)O 62a_100009817552_100000744208 [0,1,0,0,0,1|2,0,0]=4 5902 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,1,0,0,0,1|1,0,1]=4 5903 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [0,1,0,0,0,1|2,0,0]=4 5904 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [0,1,0,0,0,1|2,0,0]=4 5905 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [0,1,0,0,0,1|2,0,0]=4 5906 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [0,1,0,0,0,1|2,0,0]=4 5907 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [0,1,0,0,0,1|2,0,0]=4 5908 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [0,1,0,0,0,1|2,0,0]=4 5909 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [0,1,0,0,0,1|2,0,0]=4 5910 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [0,1,0,0,0,1|2,0,0]=4 5911 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [0,1,0,0,0,1|1,0,0]=3 5912 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [0,1,0,0,0,1|1,0,0]=3 5913 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [0,1,0,0,0,1|1,0,0]=3 5914 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [0,1,0,0,0,1|1,0,0]=3 5915 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [0,1,0,0,0,1|1,0,0]=3 5916 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [0,1,0,0,0,1|1,0,0]=3 5917 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [0,1,0,0,0,1|1,0,0]=3 5918 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [0,1,0,0,0,1|1,0,0]=3 5919 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000210206_100000211840 [0,1,0,0,0,1|1,0,0]=3 5920 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000211840_100000210206 [0,1,0,0,0,1|1,0,0]=3 5921 B12R1.226 Cc1cccc(c1)NCC(C)C 2230a_100000188690_100000210760 [0,1,0,0,0,1|1,0,0]=3 5922 B12R1.226 Cc1cccc(c1)NCC(C)C 34a_100000188690_100000210624 [0,1,0,0,0,1|1,0,0]=3 5923 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [0,1,0,0,0,1|2,0,0]=4 5924 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [0,1,0,0,0,1|2,0,0]=4 5925 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [0,1,0,0,0,1|2,0,0]=4 5926 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [0,1,0,0,0,1|2,0,0]=4 5927 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,1,0,0,0,1|1,0,0]=3 5928 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,1,0,0,0,1|1,0,0]=3 5929 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,1,0,0,0,1|2,0,0]=4 5930 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,1,0,0,0,1|2,0,0]=4 5931 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,1,0,0,0,1|2,0,0]=4 5932 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,1,0,0,0,1|2,0,0]=4 5933 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100000210624_100011215228 [0,1,0,0,0,1|1,0,0]=3 5934 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100011215228_100000210760 [0,1,0,0,0,1|1,0,0]=3 5935 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [0,1,0,0,0,1|2,0,0]=4 5936 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [0,1,0,0,0,1|2,0,0]=4 5937 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [0,1,0,0,0,1|2,0,0]=4 5938 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [0,1,0,0,0,1|2,0,0]=4 5939 B12R1.226 Cc1cccc(n1)C=CC(C)C 271570a_100016257149_100000742759 [0,1,0,0,0,1|0,0,1]=3 5940 B12R1.226 Cc1cccc(n1)C=CC(C)O 271570a_200011019289_100000742759 [0,1,0,0,0,1|1,0,1]=4 5941 B12R1.226 Cc1cccc(n1)CNC(C)C 207a_100138425928_100011215050 [0,1,0,0,0,1|0,0,0]=2 5942 B12R1.226 Cc1cccc(n1)CNC(C)C 2230a_100138425928_100000757606 [0,1,0,0,0,1|0,0,0]=2 5943 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100000701342_100000210206 [0,1,0,0,0,1|0,0,0]=2 5944 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100138425928_100000757606 [0,1,0,0,0,1|0,0,0]=2 5945 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000212225_100000757606 [0,1,0,0,0,1|0,0,0]=2 5946 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000690600_100000210206 [0,1,0,0,0,1|0,0,0]=2 5947 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000210206_100000757606 [0,1,0,0,0,1|0,0,0]=2 5948 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000757606_100000210206 [0,1,0,0,0,1|0,0,0]=2 5949 B12R1.226 Cc1cccc(n1)SCC(C)C 62a_100000210624_100000742759 [0,1,0,0,0,1|0,0,0]=2 5950 B12R1.226 Cc1cccc(n1)SCC(C)C 62a_100000742759_100000210760 [0,1,0,0,0,1|0,0,0]=2 5951 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100000742759_100011218427 [0,1,0,0,0,1|1,0,0]=3 5952 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100011218427_100000742759 [0,1,0,0,0,1|1,0,0]=3 5953 B12R1.226 Cc1cccc(n1)SCC(F)F 62a_100000742759_100011934356 [0,1,0,0,0,1|2,0,0]=4 5954 B12R1.226 Cc1cccc(n1)SCC(F)F 62a_100011934356_100000742759 [0,1,0,0,0,1|2,0,0]=4 5955 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100000742759_100009817552 [0,1,0,0,0,1|1,0,0]=3 5956 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000742759 [0,1,0,0,0,1|1,0,0]=3 5957 B12R1.226 Cc1ccnc(c1)C=CC(C)C 271570a_100016257149_100000750283 [0,1,0,0,0,1|0,0,1]=3 5958 B12R1.226 Cc1ccnc(c1)C=CC(C)O 271570a_200011019289_100000750283 [0,1,0,0,0,1|1,0,1]=4 5959 B12R1.226 Cc1ccnc(c1)CNC(C)C 207a_100138425928_100011361488 [0,1,0,0,0,1|0,0,0]=2 5960 B12R1.226 Cc1ccnc(c1)CNC(C)C 2230a_100138425928_100000718516 [0,1,0,0,0,1|0,0,0]=2 5961 B12R1.226 Cc1ccnc(c1)CNC(C)C 34a_100138425928_100000718516 [0,1,0,0,0,1|0,0,0]=2 5962 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100000212225_100000718516 [0,1,0,0,0,1|0,0,0]=2 5963 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100011998357_100000210206 [0,1,0,0,0,1|0,0,0]=2 5964 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000210206_100000718516 [0,1,0,0,0,1|0,0,0]=2 5965 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000718516_100000210206 [0,1,0,0,0,1|0,0,0]=2 5966 B12R1.226 Cc1ccnc(c1)SCC(C)C 62a_100000210624_100000750283 [0,1,0,0,0,1|0,0,0]=2 5967 B12R1.226 Cc1ccnc(c1)SCC(C)C 62a_100000750283_100000210760 [0,1,0,0,0,1|0,0,0]=2 5968 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100000750283_100011218427 [0,1,0,0,0,1|1,0,0]=3 5969 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100011218427_100000750283 [0,1,0,0,0,1|1,0,0]=3 5970 B12R1.226 Cc1ccnc(c1)SCC(F)F 62a_100000750283_100011934356 [0,1,0,0,0,1|2,0,0]=4 5971 B12R1.226 Cc1ccnc(c1)SCC(F)F 62a_100011934356_100000750283 [0,1,0,0,0,1|2,0,0]=4 5972 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100000750283_100009817552 [0,1,0,0,0,1|1,0,0]=3 5973 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100000750283 [0,1,0,0,0,1|1,0,0]=3 5974 B12R1.226 Cc1ccnc(n1)C=CC(C)C 271570a_100016257149_100011243806 [0,1,0,0,0,1|1,0,1]=4 5975 B12R1.226 Cc1ccnc(n1)CNC(C)C 2230a_100015186494_100000210206 [0,1,0,0,0,1|1,0,0]=3 5976 B12R1.226 Cc1ccnc(n1)NCC(C)C 27a_100000210953_100000750684 [0,1,0,0,0,1|1,0,0]=3 5977 B12R1.226 Cc1ccnc(n1)NCC(C)O 27a_100000210904_100000750684 [0,1,0,0,0,1|2,0,0]=4 5978 B12R1.226 Cc1ccnc(n1)SCC(C)C 62a_100000210624_100011243806 [0,1,0,0,0,1|1,0,0]=3 5979 B12R1.226 Cc1ccnc(n1)SCC(C)C 62a_100011243806_100000210760 [0,1,0,0,0,1|1,0,0]=3 5980 B12R1.226 Cc1ccnc(n1)SCC(C)O 62a_100011218427_100011243806 [0,1,0,0,0,1|2,0,0]=4 5981 B12R1.226 Cc1ccnc(n1)SCC(C)O 62a_100011243806_100011218427 [0,1,0,0,0,1|2,0,0]=4 5982 B12R1.226 Cc1ccnc(n1)SC[C@@H](C)O 62a_100009817552_100011243806 [0,1,0,0,0,1|2,0,0]=4 5983 B12R1.226 Cc1ccnc(n1)SC[C@@H](C)O 62a_100011243806_100009817552 [0,1,0,0,0,1|2,0,0]=4 5984 B12R1.226 Cc1cncc(c1)CNC(C)C 207a_100138425928_100011998712 [0,1,0,0,0,1|2,0,0]=4 5985 B12R1.226 Cc1cncc(c1)CNC(C)C 2230a_100000692839_100000210206 [0,1,0,0,0,1|2,0,0]=4 5986 B12R1.226 Cc1cncc(c1)CNC(C)C 2230a_100138425928_100000716715 [0,1,0,0,0,1|2,0,0]=4 5987 B12R1.226 Cc1cncc(c1)CNC(C)C 34a_100000692839_100000210206 [0,1,0,0,0,1|2,0,0]=4 5988 B12R1.226 Cc1cncc(c1)CNC(C)C 34a_100138425928_100000716715 [0,1,0,0,0,1|2,0,0]=4 5989 B12R1.226 Cc1cncc(c1)COC(C)C 34a_100000212225_100000716715 [0,1,0,0,0,1|2,0,0]=4 5990 B12R1.226 Cc1cncc(c1)COC(C)C 34a_100011998709_100000210206 [0,1,0,0,0,1|2,0,0]=4 5991 B12R1.226 Cc1cncc(c1)COC(C)C 7a_100011998709_100000210206 [0,1,0,0,0,1|2,0,0]=4 5992 B12R1.226 Cc1cncc(c1)CSC(C)C 62a_100000210206_100000716715 [0,1,0,0,0,1|2,0,0]=4 5993 B12R1.226 Cc1cncc(c1)CSC(C)C 62a_100000716715_100000210206 [0,1,0,0,0,1|2,0,0]=4 5994 B12R1.226 Cc1cncc(c1)OCC(C)C 34a_100011830280_100000210624 [0,1,0,0,0,1|2,0,0]=4 5995 B12R1.226 Cc1cncc(c1)OCC(C)C 7a_100011830280_100000210760 [0,1,0,0,0,1|2,0,0]=4 5996 B12R1.226 Cc1cncc(c1)SCC(C)C 62a_100000210624_100000760492 [0,1,0,0,0,1|2,0,0]=4 5997 B12R1.226 Cc1cncc(c1)SCC(C)C 62a_100000760492_100000210760 [0,1,0,0,0,1|2,0,0]=4 5998 B12R1.226 Cc1cncc(n1)C=CC(C)C 271570a_100016257149_100009842155 [0,1,0,0,0,1|1,0,1]=4 5999 B12R1.226 Cc1cncc(n1)CNC(C)C 207a_100138425928_100000100294 [0,1,0,0,0,1|1,0,0]=3 6000 B12R1.226 Cc1cncc(n1)NCC(C)C 27a_100000210953_100000754123 [0,1,0,0,0,1|1,0,0]=3 6001 B12R1.226 Cc1cncc(n1)NCC(C)O 27a_100000210904_100000754123 [0,1,0,0,0,1|2,0,0]=4 6002 B12R1.226 Cc1cncc(n1)SCC(C)C 62a_100000210624_100000754123 [0,1,0,0,0,1|1,0,0]=3 6003 B12R1.226 Cc1cncc(n1)SCC(C)C 62a_100000754123_100000210760 [0,1,0,0,0,1|1,0,0]=3 6004 B12R1.226 Cc1cncc(n1)SCC(C)O 62a_100000754123_100011218427 [0,1,0,0,0,1|2,0,0]=4 6005 B12R1.226 Cc1cncc(n1)SCC(C)O 62a_100011218427_100000754123 [0,1,0,0,0,1|2,0,0]=4 6006 B12R1.226 Cc1cncc(n1)SC[C@@H](C)O 62a_100000754123_100009817552 [0,1,0,0,0,1|2,0,0]=4 6007 B12R1.226 Cc1cncc(n1)SC[C@@H](C)O 62a_100009817552_100000754123 [0,1,0,0,0,1|2,0,0]=4 6008 B12R1.226 Cc1cnnc(c1)C=CC(C)C 271570a_100016257149_100000070100 [0,1,0,0,0,1|1,0,1]=4 6009 B12R1.226 Cc1cnnc(c1)COC(C)C 34a_100016212594_100000210206 [0,1,0,0,0,1|1,0,0]=3 6010 B12R1.226 Cc1cnnc(c1)NCC(C)C 27a_100000210953_100000070100 [0,1,0,0,0,1|1,0,0]=3 6011 B12R1.226 Cc1cnnc(c1)NCC(C)O 27a_100000210904_100000070100 [0,1,0,0,0,1|2,0,0]=4 6012 B12R1.226 Cc1cnnc(c1)OCC(C)C 34a_100000766097_100000210624 [0,1,0,0,0,1|1,0,0]=3 6013 B12R1.226 Cc1cnnc(c1)OCC(C)O 34a_100000766097_100011218427 [0,1,0,0,0,1|2,0,0]=4 6014 B12R1.226 Cc1cnnc(c1)OC[C@@H](C)O 34a_100000766097_100009817552 [0,1,0,0,0,1|2,0,0]=4 6015 B12R1.226 Cc1cnnc(c1)SCC(C)C 62a_100000070100_100000210760 [0,1,0,0,0,1|1,0,0]=3 6016 B12R1.226 Cc1cnnc(c1)SCC(C)C 62a_100000210624_100000070100 [0,1,0,0,0,1|1,0,0]=3 6017 B12R1.226 Cc1cnnc(c1)SCC(C)O 62a_100000070100_100011218427 [0,1,0,0,0,1|2,0,0]=4 6018 B12R1.226 Cc1cnnc(c1)SCC(C)O 62a_100011218427_100000070100 [0,1,0,0,0,1|2,0,0]=4 6019 B12R1.226 Cc1cnnc(c1)SC[C@@H](C)O 62a_100000070100_100009817552 [0,1,0,0,0,1|2,0,0]=4 6020 B12R1.226 Cc1cnnc(c1)SC[C@@H](C)O 62a_100009817552_100000070100 [0,1,0,0,0,1|2,0,0]=4 6021 B12R1.226 Cc1nccc(n1)C=CC(C)C 271570a_100016257149_100000749937 [0,1,0,0,0,1|1,0,1]=4 6022 B12R1.226 Cc1nccc(n1)NCC(C)C 27a_100000210953_100000749937 [0,1,0,0,0,1|1,0,0]=3 6023 B12R1.226 Cc1nccc(n1)NCC(C)O 27a_100000210904_100000749937 [0,1,0,0,0,1|2,0,0]=4 6024 B12R1.226 Cc1nccc(n1)SCC(C)C 62a_100000210624_100000749937 [0,1,0,0,0,1|1,0,0]=3 6025 B12R1.226 Cc1nccc(n1)SCC(C)C 62a_100000749937_100000210760 [0,1,0,0,0,1|1,0,0]=3 6026 B12R1.226 Cc1nccc(n1)SCC(C)O 62a_100000749937_100011218427 [0,1,0,0,0,1|2,0,0]=4 6027 B12R1.226 Cc1nccc(n1)SCC(C)O 62a_100011218427_100000749937 [0,1,0,0,0,1|2,0,0]=4 6028 B12R1.226 Cc1nccc(n1)SC[C@@H](C)O 62a_100000749937_100009817552 [0,1,0,0,0,1|2,0,0]=4 6029 B12R1.226 Cc1nccc(n1)SC[C@@H](C)O 62a_100009817552_100000749937 [0,1,0,0,0,1|2,0,0]=4 6030 B12R1.226 FC(F)CSc1cc(ccn1)Cl 62a_100010167805_100011934356 [0,1,0,0,0,1|2,0,0]=4 6031 B12R1.226 FC(F)CSc1cc(ccn1)Cl 62a_100011934356_100010167805 [0,1,0,0,0,1|2,0,0]=4 6032 B12R1.226 FC(F)CSc1cccc(n1)Br 62a_100000684672_100011934356 [0,1,0,0,0,1|2,0,0]=4 6033 B12R1.226 FC(F)CSc1cccc(n1)Br 62a_100011934356_100000684672 [0,1,0,0,0,1|2,0,0]=4 6034 B12R1.226 FC(F)CSc1cccc(n1)Cl 62a_100000051397_100011934356 [0,1,0,0,0,1|2,0,0]=4 6035 B12R1.226 FC(F)CSc1cccc(n1)Cl 62a_100011934356_100000051397 [0,1,0,0,0,1|2,0,0]=4 6036 B12R1.226 Fc1cccc(n1)NCC(F)F 27a_100000765723_100009815982 [0,1,0,0,0,1|2,0,0]=4 6037 B12R1.226 Fc1cccc(n1)OCC(F)F 34a_100011432558_100011934356 [0,1,0,0,0,1|2,0,0]=4 6038 B12R1.226 Fc1cccc(n1)SCC(F)F 62a_100009815982_100011934356 [0,1,0,0,0,1|2,0,0]=4 6039 B12R1.226 Fc1cccc(n1)SCC(F)F 62a_100011934356_100009815982 [0,1,0,0,0,1|2,0,0]=4 6040 B12R1.226 Fc1ccnc(c1)NCC(F)F 27a_100000765723_100000764206 [0,1,0,0,0,1|2,0,0]=4 6041 B12R1.226 Fc1ccnc(c1)SCC(F)F 62a_100000764206_100011934356 [0,1,0,0,0,1|2,0,0]=4 6042 B12R1.226 Fc1ccnc(c1)SCC(F)F 62a_100011934356_100000764206 [0,1,0,0,0,1|2,0,0]=4 6043 B12R1.226 Nc1cccc(n1)SCC(F)F 62a_100000740741_100011934356 [0,1,0,0,0,1|2,0,0]=4 6044 B12R1.226 Nc1cccc(n1)SCC(F)F 62a_100011934356_100000740741 [0,1,0,0,0,1|2,0,0]=4 6045 B12R1.226 Nc1ccnc(c1)SCC(F)F 62a_100009814236_100011934356 [0,1,0,0,0,1|2,0,0]=4 6046 B12R1.226 Nc1ccnc(c1)SCC(F)F 62a_100011934356_100009814236 [0,1,0,0,0,1|2,0,0]=4 6047 B12R1.226 Oc1ccnc(c1)SCC(F)F 62a_100011934356_100000762945 [0,1,0,0,0,1|2,0,0]=4 6048 B12R1.891 CC(C)(C)C=Cc1ccccc1 271570a_100102527731_100000210277 [0,1,0,0,0,1|1,0,1]=4 6049 B12R1.891 CC(C)(C)C=Cc1ccccn1 271570a_100102527731_100011216584 [0,1,0,0,0,1|0,0,1]=3 6050 B12R1.891 CC(C)(C)C=Cc1cccnn1 271570a_100102527731_100016991348 [0,1,0,0,0,1|1,0,1]=4 6051 B12R1.891 CC(C)(C)C=Cc1ccncn1 271570a_100102527731_100000703185 [0,1,0,0,0,1|1,0,1]=4 6052 B12R1.891 CC(C)(C)C=Cc1cnccn1 271570a_100102527731_100000758340 [0,1,0,0,0,1|1,0,1]=4 6053 B12R1.891 CC(C)(C)C=Cc1ncccn1 271570a_100102527731_100000211032 [0,1,0,0,0,1|1,0,1]=4 6054 B12R1.891 CC(C)(C)CNc1ccccc1 34a_100000106764_100011219605 [0,1,0,0,0,1|1,0,0]=3 6055 B12R1.891 CC(C)(C)CNc1cccnn1 27a_100000743828_100016991348 [0,1,0,0,0,1|1,0,0]=3 6056 B12R1.891 CC(C)(C)CNc1ccncn1 27a_100000743828_100000703185 [0,1,0,0,0,1|1,0,0]=3 6057 B12R1.891 CC(C)(C)CNc1cnccn1 27a_100000743828_100000211759 [0,1,0,0,0,1|1,0,0]=3 6058 B12R1.891 CC(C)(C)CNc1ncccn1 27a_100000743828_100000211032 [0,1,0,0,0,1|1,0,0]=3 6059 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,1,0,0,0,1|1,0,0]=3 6060 B12R1.891 CC(C)(C)COc1cccnc1 34a_100000210849_100011219605 [0,1,0,0,0,1|2,0,0]=4 6061 B12R1.891 CC(C)(C)COc1ccncc1 34a_100000212176_100011219605 [0,1,0,0,0,1|2,0,0]=4 6062 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100000719477_100011219605 [0,1,0,0,0,1|1,0,0]=3 6063 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100011219605_100000041952 [0,1,0,0,0,1|1,0,0]=3 6064 B12R1.891 CC(C)(C)CSc1ccccn1 62a_100011216584_100011219605 [0,1,0,0,0,1|0,0,0]=2 6065 B12R1.891 CC(C)(C)CSc1ccccn1 62a_100011219605_100011216584 [0,1,0,0,0,1|0,0,0]=2 6066 B12R1.891 CC(C)(C)CSc1cccnc1 62a_100000210063_100011219605 [0,1,0,0,0,1|2,0,0]=4 6067 B12R1.891 CC(C)(C)CSc1cccnc1 62a_100011219605_100000210063 [0,1,0,0,0,1|2,0,0]=4 6068 B12R1.891 CC(C)(C)CSc1cccnn1 62a_100011219605_100016991348 [0,1,0,0,0,1|1,0,0]=3 6069 B12R1.891 CC(C)(C)CSc1cccnn1 62a_100016991348_100011219605 [0,1,0,0,0,1|1,0,0]=3 6070 B12R1.891 CC(C)(C)CSc1ccncc1 62a_100000728582_100011219605 [0,1,0,0,0,1|2,0,0]=4 6071 B12R1.891 CC(C)(C)CSc1ccncc1 62a_100011219605_100000728582 [0,1,0,0,0,1|2,0,0]=4 6072 B12R1.891 CC(C)(C)CSc1ccncn1 62a_100000703185_100011219605 [0,1,0,0,0,1|1,0,0]=3 6073 B12R1.891 CC(C)(C)CSc1ccncn1 62a_100011219605_100000703185 [0,1,0,0,0,1|1,0,0]=3 6074 B12R1.891 CC(C)(C)CSc1cnccn1 62a_100000211759_100011219605 [0,1,0,0,0,1|1,0,0]=3 6075 B12R1.891 CC(C)(C)CSc1cnccn1 62a_100011219605_100000211759 [0,1,0,0,0,1|1,0,0]=3 6076 B12R1.891 CC(C)(C)CSc1ncccn1 62a_100000211032_100011219605 [0,1,0,0,0,1|1,0,0]=3 6077 B12R1.891 CC(C)(C)CSc1ncccn1 62a_100011219605_100000211032 [0,1,0,0,0,1|1,0,0]=3 6078 B12R1.891 CC(C)(C)NCc1ccccc1 207a_100000715429_100015611070 [0,1,0,0,0,1|1,0,0]=3 6079 B12R1.891 CC(C)(C)NCc1ccccc1 2230a_100000715429_100015291786 [0,1,0,0,0,1|1,0,0]=3 6080 B12R1.891 CC(C)(C)NCc1ccccc1 34a_100015324214_100000210625 [0,1,0,0,0,1|1,0,0]=3 6081 B12R1.891 CC(C)(C)NCc1ccccn1 207a_100000715429_100000209966 [0,1,0,0,0,1|0,0,0]=2 6082 B12R1.891 CC(C)(C)NCc1ccccn1 2230a_100000715429_100000721315 [0,1,0,0,0,1|0,0,0]=2 6083 B12R1.891 CC(C)(C)NCc1cccnc1 207a_100000715429_100000209961 [0,1,0,0,0,1|2,0,0]=4 6084 B12R1.891 CC(C)(C)NCc1cccnc1 2230a_100000715429_100000741622 [0,1,0,0,0,1|2,0,0]=4 6085 B12R1.891 CC(C)(C)NCc1cccnn1 2230a_100000715429_100016990269 [0,1,0,0,0,1|1,0,0]=3 6086 B12R1.891 CC(C)(C)NCc1ccncc1 207a_100000715429_100000186114 [0,1,0,0,0,1|2,0,0]=4 6087 B12R1.891 CC(C)(C)NCc1ccncc1 2230a_100000715429_100015193705 [0,1,0,0,0,1|2,0,0]=4 6088 B12R1.891 CC(C)(C)NCc1cnccn1 2230a_100000715429_100016995436 [0,1,0,0,0,1|1,0,0]=3 6089 B12R1.891 CC(C)(C)NCc1ncccn1 2230a_100000715429_100000703007 [0,1,0,0,0,1|1,0,0]=3 6090 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100000210790_100000210625 [0,1,0,0,0,1|1,0,0]=3 6091 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100015890283_100015291786 [0,1,0,0,0,1|1,0,0]=3 6092 B12R1.891 CC(C)(C)OCc1ccccc1 7a_100015890283_100000211182 [0,1,0,0,0,1|1,0,0]=3 6093 B12R1.891 CC(C)(C)OCc1ccccn1 34a_100015890283_100000721315 [0,1,0,0,0,1|0,0,0]=2 6094 B12R1.891 CC(C)(C)OCc1ccccn1 7a_100015890283_100000721315 [0,1,0,0,0,1|0,0,0]=2 6095 B12R1.891 CC(C)(C)OCc1cccnc1 34a_100015890283_100000733263 [0,1,0,0,0,1|2,0,0]=4 6096 B12R1.891 CC(C)(C)OCc1cccnc1 7a_100015890283_100000741622 [0,1,0,0,0,1|2,0,0]=4 6097 B12R1.891 CC(C)(C)OCc1cccnn1 34a_100015890283_100016990269 [0,1,0,0,0,1|1,0,0]=3 6098 B12R1.891 CC(C)(C)OCc1cccnn1 7a_100015890283_100016990269 [0,1,0,0,0,1|1,0,0]=3 6099 B12R1.891 CC(C)(C)OCc1ccncc1 7a_100015890283_100015193705 [0,1,0,0,0,1|2,0,0]=4 6100 B12R1.891 CC(C)(C)OCc1cnccn1 34a_100015890283_100016995436 [0,1,0,0,0,1|1,0,0]=3 6101 B12R1.891 CC(C)(C)OCc1cnccn1 7a_100015890283_100016995436 [0,1,0,0,0,1|1,0,0]=3 6102 B12R1.891 CC(C)(C)OCc1ncccn1 34a_100015890283_100000703007 [0,1,0,0,0,1|1,0,0]=3 6103 B12R1.891 CC(C)(C)OCc1ncccn1 7a_100015890283_100000703007 [0,1,0,0,0,1|1,0,0]=3 6104 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211182_100000211941 [0,1,0,0,0,1|1,0,0]=3 6105 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211941_100015291786 [0,1,0,0,0,1|1,0,0]=3 6106 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000211941_100000721315 [0,1,0,0,0,1|0,0,0]=2 6107 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000721315_100000211941 [0,1,0,0,0,1|0,0,0]=2 6108 B12R1.891 CC(C)(C)SCc1cccnc1 62a_100000211941_100000741622 [0,1,0,0,0,1|2,0,0]=4 6109 B12R1.891 CC(C)(C)SCc1cccnc1 62a_100000741622_100000211941 [0,1,0,0,0,1|2,0,0]=4 6110 B12R1.891 CC(C)(C)SCc1cccnn1 62a_100000211941_100016990269 [0,1,0,0,0,1|1,0,0]=3 6111 B12R1.891 CC(C)(C)SCc1cccnn1 62a_100016990269_100000211941 [0,1,0,0,0,1|1,0,0]=3 6112 B12R1.891 CC(C)(C)SCc1ccncc1 62a_100000211941_100015193705 [0,1,0,0,0,1|2,0,0]=4 6113 B12R1.891 CC(C)(C)SCc1ccncc1 62a_100015193705_100000211941 [0,1,0,0,0,1|2,0,0]=4 6114 B12R1.891 CC(C)(C)SCc1cnccn1 62a_100000211941_100016995436 [0,1,0,0,0,1|1,0,0]=3 6115 B12R1.891 CC(C)(C)SCc1cnccn1 62a_100016995436_100000211941 [0,1,0,0,0,1|1,0,0]=3 6116 B12R1.891 CC(C)(C)SCc1ncccn1 62a_100000211941_100000703007 [0,1,0,0,0,1|1,0,0]=3 6117 B12R1.891 CC(C)(C)SCc1ncccn1 62a_100000703007_100000211941 [0,1,0,0,0,1|1,0,0]=3 6118 B12R1.891 CC(C)(F)CNc1ccccc1 34a_100000106764_100011997219 [0,1,0,0,0,1|1,0,0]=3 6119 B12R1.891 CC(C)(F)CNc1cccnn1 27a_100020643315_100016991348 [0,1,0,0,0,1|1,0,0]=3 6120 B12R1.891 CC(C)(F)CNc1ccncn1 27a_100020643315_100000703185 [0,1,0,0,0,1|1,0,0]=3 6121 B12R1.891 CC(C)(F)CNc1cnccn1 27a_100020643315_100000211759 [0,1,0,0,0,1|1,0,0]=3 6122 B12R1.891 CC(C)(F)CNc1ncccn1 27a_100020643315_100000211032 [0,1,0,0,0,1|1,0,0]=3 6123 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,1,0,0,0,1|1,0,0]=3 6124 B12R1.891 CC(C)(F)COc1cccnc1 34a_100000210849_100011997219 [0,1,0,0,0,1|2,0,0]=4 6125 B12R1.891 CC(C)(F)COc1ccncc1 34a_100000212176_100011997219 [0,1,0,0,0,1|2,0,0]=4 6126 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100000719477_100011997219 [0,1,0,0,0,1|1,0,0]=3 6127 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100011997219_100000041952 [0,1,0,0,0,1|1,0,0]=3 6128 B12R1.891 CC(C)(F)CSc1ccccn1 62a_100011216584_100011997219 [0,1,0,0,0,1|0,0,0]=2 6129 B12R1.891 CC(C)(F)CSc1ccccn1 62a_100011997219_100011216584 [0,1,0,0,0,1|0,0,0]=2 6130 B12R1.891 CC(C)(F)CSc1cccnc1 62a_100000210063_100011997219 [0,1,0,0,0,1|2,0,0]=4 6131 B12R1.891 CC(C)(F)CSc1cccnc1 62a_100011997219_100000210063 [0,1,0,0,0,1|2,0,0]=4 6132 B12R1.891 CC(C)(F)CSc1cccnn1 62a_100011997219_100016991348 [0,1,0,0,0,1|1,0,0]=3 6133 B12R1.891 CC(C)(F)CSc1cccnn1 62a_100016991348_100011997219 [0,1,0,0,0,1|1,0,0]=3 6134 B12R1.891 CC(C)(F)CSc1ccncc1 62a_100000728582_100011997219 [0,1,0,0,0,1|2,0,0]=4 6135 B12R1.891 CC(C)(F)CSc1ccncc1 62a_100011997219_100000728582 [0,1,0,0,0,1|2,0,0]=4 6136 B12R1.891 CC(C)(F)CSc1ccncn1 62a_100000703185_100011997219 [0,1,0,0,0,1|1,0,0]=3 6137 B12R1.891 CC(C)(F)CSc1ccncn1 62a_100011997219_100000703185 [0,1,0,0,0,1|1,0,0]=3 6138 B12R1.891 CC(C)(F)CSc1cnccn1 62a_100000211759_100011997219 [0,1,0,0,0,1|1,0,0]=3 6139 B12R1.891 CC(C)(F)CSc1cnccn1 62a_100011997219_100000211759 [0,1,0,0,0,1|1,0,0]=3 6140 B12R1.891 CC(C)(F)CSc1ncccn1 62a_100000211032_100011997219 [0,1,0,0,0,1|1,0,0]=3 6141 B12R1.891 CC(C)(F)CSc1ncccn1 62a_100011997219_100000211032 [0,1,0,0,0,1|1,0,0]=3 6142 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [0,1,0,0,0,1|1,0,1]=4 6143 B12R1.891 CC(C)(O)C=Cc1ccccn1 271570a_200016258132_100011216584 [0,1,0,0,0,1|0,0,1]=3 6144 B12R1.891 CC(C)(O)C=Cc1cccnn1 271570a_200016258132_100016991348 [0,1,0,0,0,1|1,0,1]=4 6145 B12R1.891 CC(C)(O)C=Cc1ccncn1 271570a_200016258132_100000703185 [0,1,0,0,0,1|1,0,1]=4 6146 B12R1.891 CC(C)(O)C=Cc1cnccn1 271570a_200016258132_100000758340 [0,1,0,0,0,1|1,0,1]=4 6147 B12R1.891 CC(C)(O)C=Cc1ncccn1 271570a_200016258132_100000211032 [0,1,0,0,0,1|1,0,1]=4 6148 B12R1.891 CC(C)(O)CNc1ccccc1 34a_100000106764_100000764493 [0,1,0,0,0,1|1,0,0]=3 6149 B12R1.891 CC(C)(O)CNc1cccnn1 27a_100000751335_100016991348 [0,1,0,0,0,1|1,0,0]=3 6150 B12R1.891 CC(C)(O)CNc1ccncn1 27a_100000751335_100000703185 [0,1,0,0,0,1|1,0,0]=3 6151 B12R1.891 CC(C)(O)CNc1cnccn1 27a_100000751335_100000211759 [0,1,0,0,0,1|1,0,0]=3 6152 B12R1.891 CC(C)(O)CNc1ncccn1 27a_100000751335_100000211032 [0,1,0,0,0,1|1,0,0]=3 6153 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,1,0,0,0,1|1,0,0]=3 6154 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,1,0,0,0,1|1,0,0]=3 6155 B12R1.891 CC(C)(O)COc1cccnc1 34a_100000210849_100000764493 [0,1,0,0,0,1|2,0,0]=4 6156 B12R1.891 CC(C)(O)COc1cccnc1 7a_100000210849_100000764493 [0,1,0,0,0,1|2,0,0]=4 6157 B12R1.891 CC(C)(O)COc1ccncc1 34a_100000212176_100000764493 [0,1,0,0,0,1|2,0,0]=4 6158 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000719477_100000764493 [0,1,0,0,0,1|1,0,0]=3 6159 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000764493_100000041952 [0,1,0,0,0,1|1,0,0]=3 6160 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100000764493_100011216584 [0,1,0,0,0,1|0,0,0]=2 6161 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100011216584_100000764493 [0,1,0,0,0,1|0,0,0]=2 6162 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000210063_100000764493 [0,1,0,0,0,1|2,0,0]=4 6163 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000764493_100000210063 [0,1,0,0,0,1|2,0,0]=4 6164 B12R1.891 CC(C)(O)CSc1cccnn1 62a_100000764493_100016991348 [0,1,0,0,0,1|1,0,0]=3 6165 B12R1.891 CC(C)(O)CSc1cccnn1 62a_100016991348_100000764493 [0,1,0,0,0,1|1,0,0]=3 6166 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000728582_100000764493 [0,1,0,0,0,1|2,0,0]=4 6167 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000764493_100000728582 [0,1,0,0,0,1|2,0,0]=4 6168 B12R1.891 CC(C)(O)CSc1ccncn1 62a_100000703185_100000764493 [0,1,0,0,0,1|1,0,0]=3 6169 B12R1.891 CC(C)(O)CSc1ccncn1 62a_100000764493_100000703185 [0,1,0,0,0,1|1,0,0]=3 6170 B12R1.891 CC(C)(O)CSc1cnccn1 62a_100000211759_100000764493 [0,1,0,0,0,1|1,0,0]=3 6171 B12R1.891 CC(C)(O)CSc1cnccn1 62a_100000764493_100000211759 [0,1,0,0,0,1|1,0,0]=3 6172 B12R1.891 CC(C)(O)CSc1ncccn1 62a_100000211032_100000764493 [0,1,0,0,0,1|1,0,0]=3 6173 B12R1.891 CC(C)(O)CSc1ncccn1 62a_100000764493_100000211032 [0,1,0,0,0,1|1,0,0]=3 6174 B12R1.891 CC(F)(F)CNc1cccnn1 27a_100000731000_100016991348 [0,1,0,0,0,1|2,0,0]=4 6175 B12R1.891 CC(F)(F)CNc1ccncn1 27a_100000731000_100000703185 [0,1,0,0,0,1|2,0,0]=4 6176 B12R1.891 CC(F)(F)CNc1cnccn1 27a_100000731000_100000211759 [0,1,0,0,0,1|2,0,0]=4 6177 B12R1.891 CC(F)(F)CNc1ncccn1 27a_100000731000_100000211032 [0,1,0,0,0,1|2,0,0]=4 6178 B12R1.891 CS(=O)(=O)NCc1ccccn1 40a_100000210449_100000738038 [0,1,0,0,0,1|2,0,0]=4 6179 B12R1.891 C[N+](C)(C)CSc1ccccc1 62a_100000719477_200000036245 [0,1,0,0,0,1|2,0,0]=4 6180 B12R1.891 C[N+](C)(C)CSc1ccccc1 62a_200000036245_100000041952 [0,1,0,0,0,1|2,0,0]=4 6181 B12R1.891 C[N+](C)(C)CSc1ccccn1 62a_100011216584_200000036245 [0,1,0,0,0,1|1,0,0]=3 6182 B12R1.891 C[N+](C)(C)CSc1ccccn1 62a_200000036245_100011216584 [0,1,0,0,0,1|1,0,0]=3 6183 B12R1.891 C[N+](C)(C)CSc1cccnn1 62a_100016991348_200000036245 [0,1,0,0,0,1|2,0,0]=4 6184 B12R1.891 C[N+](C)(C)CSc1cccnn1 62a_200000036245_100016991348 [0,1,0,0,0,1|2,0,0]=4 6185 B12R1.891 C[N+](C)(C)CSc1ccncn1 62a_100000703185_200000036245 [0,1,0,0,0,1|2,0,0]=4 6186 B12R1.891 C[N+](C)(C)CSc1ccncn1 62a_200000036245_100000703185 [0,1,0,0,0,1|2,0,0]=4 6187 B12R1.891 C[N+](C)(C)CSc1cnccn1 62a_100000211759_200000036245 [0,1,0,0,0,1|2,0,0]=4 6188 B12R1.891 C[N+](C)(C)CSc1cnccn1 62a_200000036245_100000211759 [0,1,0,0,0,1|2,0,0]=4 6189 B12R1.891 C[N+](C)(C)CSc1ncccn1 62a_100000211032_200000036245 [0,1,0,0,0,1|2,0,0]=4 6190 B12R1.891 C[N+](C)(C)CSc1ncccn1 62a_200000036245_100000211032 [0,1,0,0,0,1|2,0,0]=4 6191 B12R1.891 C[Si](C)(C)C#Cc1ccccn1 271570a_100010171944_100011216584 [0,1,0,0,0,1|0,1,1]=4 6192 B12R1.891 C[Si](C)(C)CNc1cccnn1 27a_102516607284_100016991348 [0,1,0,0,0,1|1,1,0]=4 6193 B12R1.891 C[Si](C)(C)CNc1ccncn1 27a_102516607284_100000703185 [0,1,0,0,0,1|1,1,0]=4 6194 B12R1.891 C[Si](C)(C)CNc1cnccn1 27a_102516607284_100000211759 [0,1,0,0,0,1|1,1,0]=4 6195 B12R1.891 C[Si](C)(C)CNc1ncccn1 27a_102516607284_100000211032 [0,1,0,0,0,1|1,1,0]=4 6196 B12R1.891 C[Si](C)(C)COc1ccccc1 7a_100000210340_100000233785 [0,1,0,0,0,1|1,1,0]=4 6197 B12R1.891 C[Si](C)(C)CSc1ccccc1 62a_100000037933_100000041952 [0,1,0,0,0,1|1,1,0]=4 6198 B12R1.891 C[Si](C)(C)CSc1ccccc1 62a_100000719477_100000037933 [0,1,0,0,0,1|1,1,0]=4 6199 B12R1.891 C[Si](C)(C)CSc1ccccn1 62a_100000037933_100011216584 [0,1,0,0,0,1|0,1,0]=3 6200 B12R1.891 C[Si](C)(C)CSc1ccccn1 62a_100011216584_100000037933 [0,1,0,0,0,1|0,1,0]=3 6201 B12R1.891 C[Si](C)(C)CSc1cccnn1 62a_100000037933_100016991348 [0,1,0,0,0,1|1,1,0]=4 6202 B12R1.891 C[Si](C)(C)CSc1cccnn1 62a_100016991348_100000037933 [0,1,0,0,0,1|1,1,0]=4 6203 B12R1.891 C[Si](C)(C)CSc1ccncn1 62a_100000037933_100000703185 [0,1,0,0,0,1|1,1,0]=4 6204 B12R1.891 C[Si](C)(C)CSc1ccncn1 62a_100000703185_100000037933 [0,1,0,0,0,1|1,1,0]=4 6205 B12R1.891 C[Si](C)(C)CSc1cnccn1 62a_100000037933_100000211759 [0,1,0,0,0,1|1,1,0]=4 6206 B12R1.891 C[Si](C)(C)CSc1cnccn1 62a_100000211759_100000037933 [0,1,0,0,0,1|1,1,0]=4 6207 B12R1.891 C[Si](C)(C)CSc1ncccn1 62a_100000037933_100000211032 [0,1,0,0,0,1|1,1,0]=4 6208 B12R1.891 C[Si](C)(C)CSc1ncccn1 62a_100000211032_100000037933 [0,1,0,0,0,1|1,1,0]=4 6209 B12R1.891 FC(F)(F)CSc1ccccn1 62a_100000763148_100011216584 [0,1,0,0,0,1|2,0,0]=4 6210 B12R1.891 FC(F)(F)CSc1ccccn1 62a_100011216584_100000763148 [0,1,0,0,0,1|2,0,0]=4 6211 B12R1.891 FC(F)(F)SCc1ccccn1 62a_100000721315_200103152311 [0,1,0,0,0,1|2,0,0]=4 6212 B12R1.891 FC(F)(F)SCc1ccccn1 62a_200000243211_100000721315 [0,1,0,0,0,1|2,0,0]=4 6213 B12R1.210 CC(C)Oc1cccccc1=O 34a_100000036025_100000210206 [0,1,0,0,0,1|2,0,0]=4 6214 B12R1.210 CC(C)Oc1cccccc1=O 7a_100000036025_100000210206 [0,1,0,0,0,1|2,0,0]=4 6215 B12R1.4 C#Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000140223 [0,2,0,0,0,0|2,0,0]=4 6216 B12R1.4 C#Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000140223 [0,2,0,0,0,0|2,0,0]=4 6217 B12R1.4 C#Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361452 [0,2,0,0,0,0|2,0,0]=4 6218 B12R1.4 C#Cc1ccc(cc1)NC(C)C 34a_100011215031_100000210206 [0,2,0,0,0,0|2,0,0]=4 6219 B12R1.4 C#Cc1ccc(nc1)OC(C)C 34a_200009884252_100000210206 [0,2,0,0,0,0|1,0,0]=3 6220 B12R1.4 C=Cc1ccc(cc1)CC(C)C 271570a_100011290941_100011221366 [0,2,0,0,0,0|1,0,0]=3 6221 B12R1.4 C=Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000034074 [0,2,0,0,0,0|2,0,0]=4 6222 B12R1.4 C=Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000034074 [0,2,0,0,0,0|2,0,0]=4 6223 B12R1.4 C=Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361436 [0,2,0,0,0,0|2,0,0]=4 6224 B12R1.4 C=Cc1ccc(cc1)CN(C)C 271570a_100011290941_100000174694 [0,2,0,0,0,0|2,0,0]=4 6225 B12R1.4 C=Cc1ccc(cc1)NC(C)C 271570a_100011290941_100000219625 [0,2,0,0,0,0|2,0,0]=4 6226 B12R1.4 C=Cc1ccc(cc1)NC(C)C 34a_100011218248_100000210206 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.4 C=Cc1ccc(cc1)OC(C)C 271570a_100011290941_100000169947 [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.4 C=Cc1ccc(cc1)OC(C)C 34a_100000189437_100000210206 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.4 C=Cc1ccc(cc1)OC(C)C 7a_100000189437_100000210206 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.4 C=Cc1ccc(cc1)SC(C)C 271570a_100011290941_100009811894 [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000210206_100000748128 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000748128_100000210206 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.4 C=Cc1ccc(nc1)OC(C)C 271570a_100011290941_100000688564 [0,2,0,0,0,0|1,0,0]=3 6234 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_100000210206_103436540071 [0,2,0,0,0,0|1,0,0]=3 6235 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_103436540071_100000210206 [0,2,0,0,0,0|1,0,0]=3 6236 B12R1.4 C=Cc1ccc(nn1)NC(C)C 271570a_100011290941_200011242954 [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.4 C=Cc1ccc(nn1)OC(C)C 271570a_100011290941_100011211678 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.4 C=Cc1cnc(cn1)OC(C)C 271570a_100011290941_200010967586 [0,2,0,0,0,0|2,0,0]=4 6239 B12R1.4 C=Cc1cnc(nc1)NC(C)C 271570a_100011290941_100011934052 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.4 C=Cc1cnc(nc1)NC(C)C 27a_100138425928_200000143982 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.4 C=Cc1cnc(nc1)OC(C)C 271570a_100011290941_200011939451 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.4 C=Cc1cnc(nc1)SC(C)C 271570a_100011290941_200011939557 [0,2,0,0,0,0|2,0,0]=4 6243 B12R1.4 C=Cc1cnc(nc1)SC(C)C 62a_100000210206_200000143982 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.4 C=Cc1cnc(nc1)SC(C)C 62a_200000143982_100000210206 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.4 CC(=Cc1ccc(cn1)C#N)C 271570a_100102525489_100000241038 [0,2,0,0,0,0|0,0,2]=4 6246 B12R1.4 CC(=Cc1ccc(cn1)C=O)C 271570a_100102525489_100000766901 [0,2,0,0,0,0|0,0,2]=4 6247 B12R1.4 CC(=Cc1ccc(cn1)CN)C 271570a_100102525489_100009817727 [0,2,0,0,0,0|0,0,2]=4 6248 B12R1.4 CC(=Cc1ccc(cn1)CO)C 271570a_100102525489_100009816760 [0,2,0,0,0,0|0,0,2]=4 6249 B12R1.4 CC(=Cc1ccc(cn1)NN)C 271570a_100102525489_100000119030 [0,2,0,0,0,0|0,0,2]=4 6250 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,2,0,0,0,0|1,0,1]=4 6251 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,2,0,0,0,0|1,0,0]=3 6252 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,2,0,0,0,0|1,0,0]=3 6253 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,2,0,0,0,0|1,0,0]=3 6254 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,2,0,0,0,0|1,0,0]=3 6255 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a_100000185469_100000210206 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.4 CC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000210206 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.4 CC(C)Nc1ccc(cc1)CO 34a_100011215238_100000210206 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_100000219625_200025704644 [0,2,0,0,0,0|2,0,0]=4 6259 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000219625 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.4 CC(C)Nc1ccc(cn1)C#N 27a_100138425928_100000241038 [0,2,0,0,0,0|1,0,0]=3 6261 B12R1.4 CC(C)Nc1ccc(nn1)C#N 27a_100138425928_100000094388 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.4 CC(C)Nc1ccc(nn1)S[13CH3] 62a_200011242954_200025704644 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.4 CC(C)Nc1ccc(nn1)S[13CH3] 62a_200025704644_200011242954 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.4 CC(C)Nc1cnc(cn1)C#N 27a_100138425928_100000059812 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.4 CC(C)Nc1cnc(cn1)C=O 27a_100138425928_100012001714 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.4 CC(C)Nc1cnc(cn1)CO 27a_100138425928_100012002382 [0,2,0,0,0,0|2,0,0]=4 6267 B12R1.4 CC(C)Nc1ncc(cn1)C#N 27a_100138425928_100000099682 [0,2,0,0,0,0|2,0,0]=4 6268 B12R1.4 CC(C)Nc1ncc(cn1)C=O 27a_100138425928_100000070856 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.4 CC(C)Nc1ncc(cn1)CO 27a_100138425928_100009855073 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.4 CC(C)Nc1ncc(cn1)S[13CH3] 62a_100011934052_200025704644 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.4 CC(C)Nc1ncc(cn1)S[13CH3] 62a_200025704644_100011934052 [0,2,0,0,0,0|2,0,0]=4 6272 B12R1.4 CC(C)Oc1ccc(cc1)C#N 34a_100000210344_100000210206 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.4 CC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000210206 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.4 CC(C)Oc1ccc(cc1)CN 34a_100000185549_100000210206 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.4 CC(C)Oc1ccc(cc1)CO 34a_100000211755_100000210206 [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,2,0,0,0,0|2,0,0]=4 6279 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,2,0,0,0,0|2,0,0]=4 6280 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [0,2,0,0,0,0|2,0,0]=4 6281 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [0,2,0,0,0,0|2,0,0]=4 6282 B12R1.4 CC(C)Oc1ccc(cn1)CN 34a_100000757128_100000210206 [0,2,0,0,0,0|1,0,0]=3 6283 B12R1.4 CC(C)Oc1ccc(cn1)O[13CH3] 34a_100009858630_200025704644 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_100000688564_200025704644 [0,2,0,0,0,0|1,0,0]=3 6285 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_200025704644_100000688564 [0,2,0,0,0,0|1,0,0]=3 6286 B12R1.4 CC(C)Oc1ccc(nn1)S[13CH3] 62a_100011211678_200025704644 [0,2,0,0,0,0|2,0,0]=4 6287 B12R1.4 CC(C)Oc1ccc(nn1)S[13CH3] 62a_200025704644_100011211678 [0,2,0,0,0,0|2,0,0]=4 6288 B12R1.4 CC(C)Oc1cnc(cn1)S[13CH3] 62a_200010967586_200025704644 [0,2,0,0,0,0|2,0,0]=4 6289 B12R1.4 CC(C)Oc1cnc(cn1)S[13CH3] 62a_200025704644_200010967586 [0,2,0,0,0,0|2,0,0]=4 6290 B12R1.4 CC(C)Oc1ncc(cn1)S[13CH3] 62a_200011939451_200025704644 [0,2,0,0,0,0|2,0,0]=4 6291 B12R1.4 CC(C)Oc1ncc(cn1)S[13CH3] 62a_200025704644_200011939451 [0,2,0,0,0,0|2,0,0]=4 6292 B12R1.4 CC(C)Sc1ccc(cc1)C#N 62a_100000210206_100000184291 [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000210206 [0,2,0,0,0,0|2,0,0]=4 6294 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000210206_100000188517 [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100000210206_100010268989 [0,2,0,0,0,0|2,0,0]=4 6296 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100010268989_100000210206 [0,2,0,0,0,0|2,0,0]=4 6297 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100000210206_100016989417 [0,2,0,0,0,0|2,0,0]=4 6298 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100016989417_100000210206 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000210206_100000690907 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000690907_100000210206 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100000210206_100016988836 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100016988836_100000210206 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_100009811894_200025704644 [0,2,0,0,0,0|2,0,0]=4 6304 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_100009811894 [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.4 CC(C)Sc1ccc(cn1)C#N 62a_100000210206_100000241038 [0,2,0,0,0,0|1,0,0]=3 6306 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000210206_100000766901 [0,2,0,0,0,0|1,0,0]=3 6307 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000766901_100000210206 [0,2,0,0,0,0|1,0,0]=3 6308 B12R1.4 CC(C)Sc1ccc(cn1)CN 62a_100000210206_100000735879 [0,2,0,0,0,0|1,0,0]=3 6309 B12R1.4 CC(C)Sc1ccc(cn1)CN 62a_100000735879_100000210206 [0,2,0,0,0,0|1,0,0]=3 6310 B12R1.4 CC(C)Sc1ccc(cn1)CO 62a_100000210206_100009816760 [0,2,0,0,0,0|1,0,0]=3 6311 B12R1.4 CC(C)Sc1ccc(cn1)CO 62a_100009816760_100000210206 [0,2,0,0,0,0|1,0,0]=3 6312 B12R1.4 CC(C)Sc1ccc(cn1)NN 62a_100000210206_100000119030 [0,2,0,0,0,0|1,0,0]=3 6313 B12R1.4 CC(C)Sc1ccc(cn1)NN 62a_100000755011_100000210206 [0,2,0,0,0,0|1,0,0]=3 6314 B12R1.4 CC(C)Sc1ccc(nn1)C#N 62a_100000210206_100000094388 [0,2,0,0,0,0|2,0,0]=4 6315 B12R1.4 CC(C)Sc1ccc(nn1)C=O 62a_100000044651_100000210206 [0,2,0,0,0,0|2,0,0]=4 6316 B12R1.4 CC(C)Sc1ccc(nn1)C=O 62a_100000210206_100000044651 [0,2,0,0,0,0|2,0,0]=4 6317 B12R1.4 CC(C)Sc1ccc(nn1)NN 62a_100000182438_100000210206 [0,2,0,0,0,0|2,0,0]=4 6318 B12R1.4 CC(C)Sc1ccc(nn1)NN 62a_100000210206_100000182438 [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.4 CC(C)Sc1cnc(cn1)C#N 62a_100000210206_100000059812 [0,2,0,0,0,0|2,0,0]=4 6320 B12R1.4 CC(C)Sc1cnc(cn1)C=O 62a_100000210206_100012001714 [0,2,0,0,0,0|2,0,0]=4 6321 B12R1.4 CC(C)Sc1cnc(cn1)C=O 62a_100012001714_100000210206 [0,2,0,0,0,0|2,0,0]=4 6322 B12R1.4 CC(C)Sc1cnc(cn1)CO 62a_100000210206_100012002382 [0,2,0,0,0,0|2,0,0]=4 6323 B12R1.4 CC(C)Sc1cnc(cn1)CO 62a_100012002382_100000210206 [0,2,0,0,0,0|2,0,0]=4 6324 B12R1.4 CC(C)Sc1cnc(cn1)NN 62a_100000121042_100000210206 [0,2,0,0,0,0|2,0,0]=4 6325 B12R1.4 CC(C)Sc1cnc(cn1)NN 62a_100000210206_100000121042 [0,2,0,0,0,0|2,0,0]=4 6326 B12R1.4 CC(C)Sc1ncc(cn1)C#N 62a_100000210206_100000099682 [0,2,0,0,0,0|2,0,0]=4 6327 B12R1.4 CC(C)Sc1ncc(cn1)C=O 62a_100000070856_100000210206 [0,2,0,0,0,0|2,0,0]=4 6328 B12R1.4 CC(C)Sc1ncc(cn1)C=O 62a_100000210206_100000070856 [0,2,0,0,0,0|2,0,0]=4 6329 B12R1.4 CC(C)Sc1ncc(cn1)CO 62a_100000210206_100009855073 [0,2,0,0,0,0|2,0,0]=4 6330 B12R1.4 CC(C)Sc1ncc(cn1)CO 62a_100009855073_100000210206 [0,2,0,0,0,0|2,0,0]=4 6331 B12R1.4 CC(C)Sc1ncc(cn1)S[13CH3] 62a_200011939557_200025704644 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.4 CC(C)Sc1ncc(cn1)S[13CH3] 62a_200025704644_200011939557 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,2,0,0,0,0|2,0,0]=4 6335 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,2,0,0,0,0|2,0,0]=4 6336 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,2,0,0,0,0|2,0,0]=4 6338 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,2,0,0,0,0|2,0,0]=4 6339 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,2,0,0,0,0|2,0,0]=4 6340 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,2,0,0,0,0|2,0,0]=4 6341 B12R1.4 CCc1ccc(cc1)NC(C)C 2230a_100000211069_100000210206 [0,2,0,0,0,0|2,0,0]=4 6342 B12R1.4 CCc1ccc(cc1)NC(C)C 34a_100000211069_100000210206 [0,2,0,0,0,0|2,0,0]=4 6343 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [0,2,0,0,0,0|2,0,0]=4 6344 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [0,2,0,0,0,0|2,0,0]=4 6345 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100000210206_100011215824 [0,2,0,0,0,0|2,0,0]=4 6346 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100011215824_100000210206 [0,2,0,0,0,0|2,0,0]=4 6347 B12R1.4 CCc1ccc(nc1)C=C(C)C 271570a_100102525489_100009843584 [0,2,0,0,0,0|0,0,2]=4 6348 B12R1.4 CCc1ccc(nc1)CN(C)C 270004a_100102631434_100000069529 [0,2,0,0,0,0|1,0,0]=3 6349 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100000210206_100009843584 [0,2,0,0,0,0|1,0,0]=3 6350 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100009843584_100000210206 [0,2,0,0,0,0|1,0,0]=3 6351 B12R1.4 CCc1cnc(nc1)NC(C)C 27a_100138425928_100000033099 [0,2,0,0,0,0|2,0,0]=4 6352 B12R1.4 CCc1cnc(nc1)SC(C)C 62a_100000033099_100000210206 [0,2,0,0,0,0|2,0,0]=4 6353 B12R1.4 CCc1cnc(nc1)SC(C)C 62a_100000210206_100000033099 [0,2,0,0,0,0|2,0,0]=4 6354 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100000217971_200000210301 [0,2,0,0,0,0|2,0,0]=4 6355 B12R1.4 CN(C)Cc1ccc(cc1)C#N 2230a_100102631434_100000184898 [0,2,0,0,0,0|2,0,0]=4 6356 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100000217971_200000210301 [0,2,0,0,0,0|2,0,0]=4 6357 B12R1.4 CN(C)Cc1ccc(cc1)C#N 269982a_100102631434_100000184898 [0,2,0,0,0,0|2,0,0]=4 6358 B12R1.4 CN(C)Cc1ccc(cc1)C#N 270004a_100102631434_100000211122 [0,2,0,0,0,0|2,0,0]=4 6359 B12R1.4 CN(C)Cc1ccc(cc1)C#N 34a_100000217971_200000210301 [0,2,0,0,0,0|2,0,0]=4 6360 B12R1.4 CN(C)Cc1ccc(cc1)C=O 2230a_100102631434_100009816848 [0,2,0,0,0,0|2,0,0]=4 6361 B12R1.4 CN(C)Cc1ccc(cc1)C=O 269982a_100102631434_100009816848 [0,2,0,0,0,0|2,0,0]=4 6362 B12R1.4 CN(C)Cc1ccc(cc1)CO 2230a_100102631434_100000067286 [0,2,0,0,0,0|2,0,0]=4 6363 B12R1.4 CN(C)Cc1ccc(cc1)CO 269982a_100102631434_100000067286 [0,2,0,0,0,0|2,0,0]=4 6364 B12R1.4 CN(C)Cc1ccc(cc1)CO 270004a_100102631434_100009832023 [0,2,0,0,0,0|2,0,0]=4 6365 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,2,0,0,0,0|2,0,0]=4 6366 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,2,0,0,0,0|2,0,0]=4 6367 B12R1.4 CN(C)Cc1ccc(cn1)C#N 2230a_100102631434_100000693164 [0,2,0,0,0,0|1,0,0]=3 6368 B12R1.4 CN(C)Cc1ccc(cn1)C#N 269982a_100102631434_100000693164 [0,2,0,0,0,0|1,0,0]=3 6369 B12R1.4 CN(C)Cc1ccc(cn1)C#N 270004a_100102631434_100009884217 [0,2,0,0,0,0|1,0,0]=3 6370 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 2230a_100000217971_200025704644 [0,2,0,0,0,0|2,0,0]=4 6371 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 269982a_100000217971_200025704644 [0,2,0,0,0,0|2,0,0]=4 6372 B12R1.4 CN([13CH3])Cc1ccc(cc1)C#N 34a_100000217971_200025704644 [0,2,0,0,0,0|2,0,0]=4 6373 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,2,0,0,0,0|1,0,0]=3 6374 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,2,0,0,0,0|1,0,0]=3 6375 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [0,2,0,0,0,0|2,0,0]=4 6376 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [0,2,0,0,0,0|2,0,0]=4 6377 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [0,2,0,0,0,0|2,0,0]=4 6378 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000210206_100000743151 [0,2,0,0,0,0|2,0,0]=4 6379 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000743151_100000210206 [0,2,0,0,0,0|2,0,0]=4 6380 B12R1.4 CNc1ccc(nc1)C=C(C)C 271570a_100102525489_100000764248 [0,2,0,0,0,0|0,0,2]=4 6381 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000210206_100000764248 [0,2,0,0,0,0|1,0,0]=3 6382 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000764248_100000210206 [0,2,0,0,0,0|1,0,0]=3 6383 B12R1.4 CNc1ccc(nn1)SC(C)C 62a_100000210206_100000215272 [0,2,0,0,0,0|2,0,0]=4 6384 B12R1.4 CNc1ccc(nn1)SC(C)C 62a_100000215272_100000210206 [0,2,0,0,0,0|2,0,0]=4 6385 B12R1.4 CNc1cnc(cn1)SC(C)C 62a_100000210206_100012000640 [0,2,0,0,0,0|2,0,0]=4 6386 B12R1.4 CNc1cnc(cn1)SC(C)C 62a_100012000640_100000210206 [0,2,0,0,0,0|2,0,0]=4 6387 B12R1.4 CNc1cnc(nc1)NC(C)C 27a_100102657272_100011934052 [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,2,0,0,0,0|2,0,0]=4 6389 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,2,0,0,0,0|2,0,0]=4 6390 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,2,0,0,0,0|2,0,0]=4 6391 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,2,0,0,0,0|2,0,0]=4 6392 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,2,0,0,0,0|2,0,0]=4 6395 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,2,0,0,0,0|2,0,0]=4 6396 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,2,0,0,0,0|2,0,0]=4 6397 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,2,0,0,0,0|2,0,0]=4 6398 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,2,0,0,0,0|2,0,0]=4 6399 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,2,0,0,0,0|2,0,0]=4 6400 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,2,0,0,0,0|2,0,0]=4 6401 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [0,2,0,0,0,0|0,0,2]=4 6402 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,2,0,0,0,0|1,0,1]=4 6403 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,2,0,0,0,0|1,0,1]=4 6404 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,2,0,0,0,0|1,0,1]=4 6405 B12R1.4 COc1ccc(nc1)CN(C)C 2230a_100102631434_200000757186 [0,2,0,0,0,0|1,0,0]=3 6406 B12R1.4 COc1ccc(nc1)CN(C)C 269982a_100102631434_200000757186 [0,2,0,0,0,0|1,0,0]=3 6407 B12R1.4 COc1ccc(nc1)CN(C)C 270004a_100102631434_100000701244 [0,2,0,0,0,0|1,0,0]=3 6408 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100009858630_200000210301 [0,2,0,0,0,0|1,0,0]=3 6409 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100012002028_100000210206 [0,2,0,0,0,0|1,0,0]=3 6410 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000210206_100000744180 [0,2,0,0,0,0|1,0,0]=3 6411 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000755202_100000210206 [0,2,0,0,0,0|1,0,0]=3 6412 B12R1.4 COc1ccc(nn1)NC(C)C 27a_100138425928_100010231723 [0,2,0,0,0,0|2,0,0]=4 6413 B12R1.4 COc1ccc(nn1)SC(C)C 62a_100000210206_100009819040 [0,2,0,0,0,0|2,0,0]=4 6414 B12R1.4 COc1ccc(nn1)SC(C)C 62a_100009819040_100000210206 [0,2,0,0,0,0|2,0,0]=4 6415 B12R1.4 COc1cnc(cn1)CN(C)C 270004a_100102631434_100000099869 [0,2,0,0,0,0|2,0,0]=4 6416 B12R1.4 COc1cnc(cn1)SC(C)C 62a_100000210206_100011998698 [0,2,0,0,0,0|2,0,0]=4 6417 B12R1.4 COc1cnc(cn1)SC(C)C 62a_100011998698_100000210206 [0,2,0,0,0,0|2,0,0]=4 6418 B12R1.4 COc1cnc(nc1)NC(C)C 27a_100138425928_100000069167 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.4 COc1cnc(nc1)SC(C)C 62a_100000069167_100000210206 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.4 COc1cnc(nc1)SC(C)C 62a_100000210206_100000069167 [0,2,0,0,0,0|2,0,0]=4 6421 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,2,0,0,0,0|1,0,0]=3 6422 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,2,0,0,0,0|1,0,0]=3 6423 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,2,0,0,0,0|2,0,0]=4 6424 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,2,0,0,0,0|2,0,0]=4 6425 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,2,0,0,0,0|2,0,0]=4 6426 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,2,0,0,0,0|2,0,0]=4 6427 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,2,0,0,0,0|2,0,0]=4 6428 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,2,0,0,0,0|2,0,0]=4 6432 B12R1.4 CSc1ccc(cc1)NC(C)C 34a_100000212337_100000210206 [0,2,0,0,0,0|2,0,0]=4 6433 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_100000219625_200000210301 [0,2,0,0,0,0|2,0,0]=4 6434 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_200000210301_100000219625 [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100000210206_100011263217 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100009811894_200000210301 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100011263217_100000210206 [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_200000210301_100009811894 [0,2,0,0,0,0|2,0,0]=4 6442 B12R1.4 CSc1ccc(nc1)C=C(C)C 271570a_100102525489_100009820866 [0,2,0,0,0,0|0,0,2]=4 6443 B12R1.4 CSc1ccc(nc1)NC(C)C 27a_100138425928_100009820866 [0,2,0,0,0,0|1,0,0]=3 6444 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_100000688564_200000210301 [0,2,0,0,0,0|1,0,0]=3 6445 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_200000210301_100000688564 [0,2,0,0,0,0|1,0,0]=3 6446 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100000210206_100009820866 [0,2,0,0,0,0|1,0,0]=3 6447 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100009820866_100000210206 [0,2,0,0,0,0|1,0,0]=3 6448 B12R1.4 CSc1ccc(nn1)NC(C)C 62a_200000210301_200011242954 [0,2,0,0,0,0|2,0,0]=4 6449 B12R1.4 CSc1ccc(nn1)NC(C)C 62a_200011242954_200000210301 [0,2,0,0,0,0|2,0,0]=4 6450 B12R1.4 CSc1ccc(nn1)OC(C)C 62a_100011211678_200000210301 [0,2,0,0,0,0|2,0,0]=4 6451 B12R1.4 CSc1ccc(nn1)OC(C)C 62a_200000210301_100011211678 [0,2,0,0,0,0|2,0,0]=4 6452 B12R1.4 CSc1cnc(cn1)NC(C)C 27a_100138425928_200012356277 [0,2,0,0,0,0|2,0,0]=4 6453 B12R1.4 CSc1cnc(cn1)OC(C)C 62a_200000210301_200010967586 [0,2,0,0,0,0|2,0,0]=4 6454 B12R1.4 CSc1cnc(cn1)OC(C)C 62a_200010967586_200000210301 [0,2,0,0,0,0|2,0,0]=4 6455 B12R1.4 CSc1cnc(cn1)SC(C)C 62a_100000210206_200012356277 [0,2,0,0,0,0|2,0,0]=4 6456 B12R1.4 CSc1cnc(cn1)SC(C)C 62a_200012356277_100000210206 [0,2,0,0,0,0|2,0,0]=4 6457 B12R1.4 CSc1cnc(nc1)NC(C)C 27a_100138425928_100000718988 [0,2,0,0,0,0|2,0,0]=4 6458 B12R1.4 CSc1cnc(nc1)NC(C)C 62a_100011934052_200000210301 [0,2,0,0,0,0|2,0,0]=4 6459 B12R1.4 CSc1cnc(nc1)NC(C)C 62a_200000210301_100011934052 [0,2,0,0,0,0|2,0,0]=4 6460 B12R1.4 CSc1cnc(nc1)OC(C)C 62a_200000210301_200011939451 [0,2,0,0,0,0|2,0,0]=4 6461 B12R1.4 CSc1cnc(nc1)OC(C)C 62a_200011939451_200000210301 [0,2,0,0,0,0|2,0,0]=4 6462 B12R1.4 CSc1cnc(nc1)SC(C)C 62a_100000210206_100000718988 [0,2,0,0,0,0|2,0,0]=4 6463 B12R1.4 CSc1cnc(nc1)SC(C)C 62a_100000718988_100000210206 [0,2,0,0,0,0|2,0,0]=4 6464 B12R1.4 CSc1cnc(nc1)SC(C)C 62a_200000210301_200011939557 [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.4 CSc1cnc(nc1)SC(C)C 62a_200011939557_200000210301 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.19 CC(=Cc1cc(c(cn1)Br)C)C 271570a_100102525489_100012356354 [0,2,0,0,0,0|0,0,2]=4 6467 B12R1.19 CC(=Cc1cc(c(cn1)C)C)C 271570a_100102525489_100009850809 [0,2,0,0,0,0|0,0,2]=4 6468 B12R1.19 CC(=Cc1cc(c(cn1)C)F)C 271570a_100102525489_100009841206 [0,2,0,0,0,0|0,0,2]=4 6469 B12R1.19 CC(=Cc1cc(c(cn1)C)N)C 271570a_100102525489_100000690170 [0,2,0,0,0,0|0,0,2]=4 6470 B12R1.19 CC(=Cc1cc(c(cn1)C)O)C 271570a_100102525489_100000704368 [0,2,0,0,0,0|0,0,2]=4 6471 B12R1.19 CC(=Cc1cc(c(cn1)F)C)C 271570a_100102525489_100009818257 [0,2,0,0,0,0|0,0,2]=4 6472 B12R1.19 CC(=Cc1cc(c(cn1)F)N)C 271570a_100102525489_100000126464 [0,2,0,0,0,0|0,0,2]=4 6473 B12R1.19 CC(=Cc1cc(c(cn1)F)O)C 271570a_100102525489_100009854642 [0,2,0,0,0,0|0,0,2]=4 6474 B12R1.19 CC(=Cc1cc(c(cn1)N)C)C 271570a_100102525489_100000765520 [0,2,0,0,0,0|0,0,2]=4 6475 B12R1.19 CC(=Cc1cc(c(cn1)N)N)C 271570a_100102525489_100000067514 [0,2,0,0,0,0|0,0,2]=4 6476 B12R1.19 CC(=Cc1cc(c(cn1)O)C)C 271570a_100102525489_100000692680 [0,2,0,0,0,0|0,0,2]=4 6477 B12R1.19 CC(=Cc1cc(c(cn1)O)N)C 271570a_100102525489_100009819941 [0,2,0,0,0,0|0,0,2]=4 6478 B12R1.19 CC(=Cc1ccc(c(n1)Br)O)C 271570a_100102525489_100000725334 [0,2,0,0,0,0|0,0,2]=4 6479 B12R1.19 CC(=Cc1ccc(c(n1)C)Br)C 271570a_100102525489_100012360386 [0,2,0,0,0,0|0,0,2]=4 6480 B12R1.19 CC(=Cc1ccc(c(n1)C)C)C 271570a_100102525489_100000103781 [0,2,0,0,0,0|0,0,2]=4 6481 B12R1.19 CC(=Cc1ccc(c(n1)C)F)C 271570a_100102525489_100009814307 [0,2,0,0,0,0|0,0,2]=4 6482 B12R1.19 CC(=Cc1ccc(c(n1)C)N)C 271570a_100102525489_100000760127 [0,2,0,0,0,0|0,0,2]=4 6483 B12R1.19 CC(=Cc1ccc(c(n1)C)O)C 271570a_100102525489_100010233687 [0,2,0,0,0,0|0,0,2]=4 6484 B12R1.19 CC(=Cc1ccc(c(n1)Cl)N)C 271570a_100102525489_200010233646 [0,2,0,0,0,0|0,0,2]=4 6485 B12R1.19 CC(=Cc1ccc(c(n1)Cl)O)C 271570a_100102525489_100000721234 [0,2,0,0,0,0|0,0,2]=4 6486 B12R1.19 CC(=Cc1ccc(c(n1)F)Br)C 271570a_100102525489_100010134343 [0,2,0,0,0,0|0,0,2]=4 6487 B12R1.19 CC(=Cc1ccc(c(n1)F)N)C 271570a_100102525489_100009856439 [0,2,0,0,0,0|0,0,2]=4 6488 B12R1.19 CC(=Cc1ccc(c(n1)F)O)C 271570a_100102525489_100009819667 [0,2,0,0,0,0|0,0,2]=4 6489 B12R1.19 CC(=Cc1ccc(c(n1)N)C)C 271570a_100102525489_100009857032 [0,2,0,0,0,0|0,0,2]=4 6490 B12R1.19 CC(=Cc1ccc(c(n1)N)F)C 271570a_100102525489_100016091773 [0,2,0,0,0,0|0,0,2]=4 6491 B12R1.19 CC(=Cc1ccc(c(n1)N)N)C 271570a_100102525489_100000747239 [0,2,0,0,0,0|0,0,2]=4 6492 B12R1.19 CC(=Cc1ccc(c(n1)N)O)C 271570a_100102525489_100000685527 [0,2,0,0,0,0|0,0,2]=4 6493 B12R1.19 CC(=Cc1ccc(c(n1)O)F)C 271570a_100102525489_100010729010 [0,2,0,0,0,0|0,0,2]=4 6494 B12R1.19 CC(=Cc1ccc(c(n1)O)N)C 271570a_100102525489_100000718904 [0,2,0,0,0,0|0,0,2]=4 6495 B12R1.19 CC(C)Nc1cc(=O)n(cn1)C 27a_100138425928_100012179353 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.19 CC(C)Nc1ccc(c(c1)Br)Br 2230a_100011306057_100000210206 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.19 CC(C)Nc1ccc(c(c1)Br)Br 34a_100011306057_100000210206 [0,2,0,0,0,0|2,0,0]=4 6498 B12R1.19 CC(C)Nc1ccc(c(c1)Br)Br 7a_100011306057_100000210206 [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.19 CC(C)Nc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210206 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.19 CC(C)Nc1ccc(c(c1)Br)Cl 34a_100000686031_100000210206 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.19 CC(C)Nc1ccc(c(c1)Br)F 2230a_100000760356_100000210206 [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.19 CC(C)Nc1ccc(c(c1)Br)F 34a_100000760356_100000210206 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.19 CC(C)Nc1ccc(c(c1)Br)F 7a_100000760356_100000210206 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.19 CC(C)Nc1ccc(c(c1)Br)I 34a_100000750458_100000210206 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.19 CC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000210206 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210206 [0,2,0,0,0,0|2,0,0]=4 6507 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)Br 34a_100000687081_100000210206 [0,2,0,0,0,0|2,0,0]=4 6508 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)Br 7a_100000687081_100000210206 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210206 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210206 [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)F 2230a_100000211060_100000210206 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)F 34a_100000211060_100000210206 [0,2,0,0,0,0|2,0,0]=4 6513 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)F 7a_100000211060_100000210206 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)I 34a_100000761885_100000210206 [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100000210206 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.19 CC(C)Nc1ccc(c(c1)F)Br 2230a_100000759894_100000210206 [0,2,0,0,0,0|2,0,0]=4 6517 B12R1.19 CC(C)Nc1ccc(c(c1)F)Br 34a_100000759894_100000210206 [0,2,0,0,0,0|2,0,0]=4 6518 B12R1.19 CC(C)Nc1ccc(c(c1)F)Br 7a_100000759894_100000210206 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.19 CC(C)Nc1ccc(c(c1)F)Cl 2230a_100000739366_100000210206 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.19 CC(C)Nc1ccc(c(c1)F)Cl 34a_100000739366_100000210206 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.19 CC(C)Nc1ccc(c(c1)F)Cl 7a_100000739366_100000210206 [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.19 CC(C)Nc1ccc(c(c1)F)F 2230a_100000210724_100000210206 [0,2,0,0,0,0|2,0,0]=4 6523 B12R1.19 CC(C)Nc1ccc(c(c1)F)F 34a_100000210724_100000210206 [0,2,0,0,0,0|2,0,0]=4 6524 B12R1.19 CC(C)Nc1ccc(c(c1)F)F 7a_100000210724_100000210206 [0,2,0,0,0,0|2,0,0]=4 6525 B12R1.19 CC(C)Nc1ccc(c(c1)F)I 34a_100011356925_100000210206 [0,2,0,0,0,0|2,0,0]=4 6526 B12R1.19 CC(C)Nc1ccc(c(c1)F)I 7a_100011356925_100000210206 [0,2,0,0,0,0|2,0,0]=4 6527 B12R1.19 CC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100000210206 [0,2,0,0,0,0|2,0,0]=4 6528 B12R1.19 CC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000210206 [0,2,0,0,0,0|2,0,0]=4 6529 B12R1.19 CC(C)Nc1ccc(c(c1)I)Br 34a_100000750459_100000210206 [0,2,0,0,0,0|2,0,0]=4 6530 B12R1.19 CC(C)Nc1ccc(c(c1)I)Cl 34a_100012360549_100000210206 [0,2,0,0,0,0|2,0,0]=4 6531 B12R1.19 CC(C)Nc1ccc(c(c1)I)F 34a_114828291077_100000210206 [0,2,0,0,0,0|2,0,0]=4 6532 B12R1.19 CC(C)Nc1ccc(c(c1)I)F 7a_114828291077_100000210206 [0,2,0,0,0,0|2,0,0]=4 6533 B12R1.19 CC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100000210206 [0,2,0,0,0,0|2,0,0]=4 6534 B12R1.19 CC(C)Nc1ccc(c(c1)O)F 34a_100012017398_100000210206 [0,2,0,0,0,0|2,0,0]=4 6535 B12R1.19 CC(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000210206 [0,2,0,0,0,0|2,0,0]=4 6536 B12R1.19 CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000210206 [0,2,0,0,0,0|2,0,0]=4 6537 B12R1.19 CC(C)Nc1ccc(c(n1)F)Br 27a_100138425928_100010134343 [0,2,0,0,0,0|1,0,0]=3 6538 B12R1.19 CC(C)Nc1ncc(c(n1)N)F 27a_100138425928_100000185498 [0,2,0,0,0,0|2,0,0]=4 6539 B12R1.19 CC(C)Nc1ncc(c(n1)O)F 27a_100138425928_100011995740 [0,2,0,0,0,0|2,0,0]=4 6540 B12R1.19 CC(C)Oc1cc(c(cn1)Br)Cl 34a_100010369989_100000210206 [0,2,0,0,0,0|1,0,0]=3 6541 B12R1.19 CC(C)Oc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210206 [0,2,0,0,0,0|1,0,0]=3 6542 B12R1.19 CC(C)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100000210206 [0,2,0,0,0,0|2,0,0]=4 6543 B12R1.19 CC(C)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100000210206 [0,2,0,0,0,0|2,0,0]=4 6544 B12R1.19 CC(C)Oc1ccc(c(c1)Br)F 34a_100000693481_100000210206 [0,2,0,0,0,0|2,0,0]=4 6545 B12R1.19 CC(C)Oc1ccc(c(c1)Br)F 7a_100000693481_100000210206 [0,2,0,0,0,0|2,0,0]=4 6546 B12R1.19 CC(C)Oc1ccc(c(c1)Br)I 34a_100000701344_100000210206 [0,2,0,0,0,0|2,0,0]=4 6547 B12R1.19 CC(C)Oc1ccc(c(c1)Br)I 7a_100000701344_100000210206 [0,2,0,0,0,0|2,0,0]=4 6548 B12R1.19 CC(C)Oc1ccc(c(c1)Br)N 34a_100012001276_100000210206 [0,2,0,0,0,0|2,0,0]=4 6549 B12R1.19 CC(C)Oc1ccc(c(c1)Br)N 7a_100012001276_100000210206 [0,2,0,0,0,0|2,0,0]=4 6550 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Br 34a_100011215161_100000210206 [0,2,0,0,0,0|2,0,0]=4 6551 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100000210206 [0,2,0,0,0,0|2,0,0]=4 6552 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210206 [0,2,0,0,0,0|2,0,0]=4 6553 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210206 [0,2,0,0,0,0|2,0,0]=4 6554 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)F 34a_100000211030_100000210206 [0,2,0,0,0,0|2,0,0]=4 6555 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)F 7a_100000211030_100000210206 [0,2,0,0,0,0|2,0,0]=4 6556 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)I 34a_100000047559_100000210206 [0,2,0,0,0,0|2,0,0]=4 6557 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)I 7a_100000047559_100000210206 [0,2,0,0,0,0|2,0,0]=4 6558 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)N 34a_100011215599_100000210206 [0,2,0,0,0,0|2,0,0]=4 6559 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)N 7a_100011215599_100000210206 [0,2,0,0,0,0|2,0,0]=4 6560 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br 34a_100000755031_100000210206 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br 7a_100000755031_100000210206 [0,2,0,0,0,0|2,0,0]=4 6562 B12R1.19 CC(C)Oc1ccc(c(c1)F)Cl 34a_100000691581_100000210206 [0,2,0,0,0,0|2,0,0]=4 6563 B12R1.19 CC(C)Oc1ccc(c(c1)F)Cl 7a_100000691581_100000210206 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.19 CC(C)Oc1ccc(c(c1)F)F 34a_100000181275_100000210206 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.19 CC(C)Oc1ccc(c(c1)F)F 7a_100000181275_100000210206 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.19 CC(C)Oc1ccc(c(c1)F)I 34a_100009990212_100000210206 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.19 CC(C)Oc1ccc(c(c1)F)I 7a_100009990212_100000210206 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.19 CC(C)Oc1ccc(c(c1)F)N 34a_100000759473_100000210206 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.19 CC(C)Oc1ccc(c(c1)F)N 7a_100000759473_100000210206 [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.19 CC(C)Oc1ccc(c(c1)F)O 271570a_203496583355_200012236954 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.19 CC(C)Oc1ccc(c(c1)I)Br 34a_100012339312_100000210206 [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.19 CC(C)Oc1ccc(c(c1)I)Br 7a_100012339312_100000210206 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.19 CC(C)Oc1ccc(c(c1)I)Cl 34a_100000049588_100000210206 [0,2,0,0,0,0|2,0,0]=4 6574 B12R1.19 CC(C)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000210206 [0,2,0,0,0,0|2,0,0]=4 6575 B12R1.19 CC(C)Oc1ccc(c(c1)I)N 34a_100010084370_100000210206 [0,2,0,0,0,0|2,0,0]=4 6576 B12R1.19 CC(C)Oc1ccc(c(c1)I)N 7a_100010084370_100000210206 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.19 CC(C)Oc1ccc(c(c1)N)Br 34a_100011999798_100000210206 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.19 CC(C)Oc1ccc(c(c1)N)Br 7a_100011999798_100000210206 [0,2,0,0,0,0|2,0,0]=4 6579 B12R1.19 CC(C)Oc1ccc(c(c1)N)Cl 34a_100011934297_100000210206 [0,2,0,0,0,0|2,0,0]=4 6580 B12R1.19 CC(C)Oc1ccc(c(c1)N)F 34a_100012017239_100000210206 [0,2,0,0,0,0|2,0,0]=4 6581 B12R1.19 CC(C)Oc1ccc(c(c1)N)F 7a_100012017239_100000210206 [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.19 CC(C)Oc1ccc(c(c1)N)N 34a_100025771000_100000210206 [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.19 CC(C)Oc1ccc(c(n1)F)Br 34a_100009879308_100000210206 [0,2,0,0,0,0|1,0,0]=3 6584 B12R1.19 CC(C)Oc1cnc(c(n1)Cl)Br 34a_100010080449_100000210206 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.19 CC(C)Sc1cc(=O)n(cn1)C 62a_100000210206_100012179353 [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.19 CC(C)Sc1cc(=O)n(cn1)C 62a_100012179353_100000210206 [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.19 CC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000210206_100000102183 [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.19 CC(C)Sc1cc(c(cn1)F)N 62a_100000126464_100000210206 [0,2,0,0,0,0|1,0,0]=3 6589 B12R1.19 CC(C)Sc1cc(c(cn1)F)N 62a_100000210206_100000126464 [0,2,0,0,0,0|1,0,0]=3 6590 B12R1.19 CC(C)Sc1cc(c(cn1)F)O 62a_100000210206_100009854642 [0,2,0,0,0,0|1,0,0]=3 6591 B12R1.19 CC(C)Sc1cc(c(cn1)F)O 62a_100009854642_100000210206 [0,2,0,0,0,0|1,0,0]=3 6592 B12R1.19 CC(C)Sc1cc(c(cn1)N)N 62a_100000067514_100000210206 [0,2,0,0,0,0|1,0,0]=3 6593 B12R1.19 CC(C)Sc1cc(c(cn1)N)N 62a_100000210206_100000067514 [0,2,0,0,0,0|1,0,0]=3 6594 B12R1.19 CC(C)Sc1cc(c(cn1)O)N 62a_100000210206_100009819941 [0,2,0,0,0,0|1,0,0]=3 6595 B12R1.19 CC(C)Sc1cc(c(cn1)O)N 62a_100009819941_100000210206 [0,2,0,0,0,0|1,0,0]=3 6596 B12R1.19 CC(C)Sc1ccc(=O)n(n1)C 62a_100000210206_100009820752 [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.19 CC(C)Sc1ccc(=O)n(n1)C 62a_100009820752_100000210206 [0,2,0,0,0,0|2,0,0]=4 6598 B12R1.19 CC(C)Sc1ccc(c(c1)Br)Br 62a_100000210206_100012356285 [0,2,0,0,0,0|2,0,0]=4 6599 B12R1.19 CC(C)Sc1ccc(c(c1)Br)Br 62a_100012356285_100000210206 [0,2,0,0,0,0|2,0,0]=4 6600 B12R1.19 CC(C)Sc1ccc(c(c1)Br)Cl 62a_100000210206_100012353702 [0,2,0,0,0,0|2,0,0]=4 6601 B12R1.19 CC(C)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100000210206 [0,2,0,0,0,0|2,0,0]=4 6602 B12R1.19 CC(C)Sc1ccc(c(c1)Br)F 62a_100000210206_100012047266 [0,2,0,0,0,0|2,0,0]=4 6603 B12R1.19 CC(C)Sc1ccc(c(c1)Br)F 62a_100012047266_100000210206 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.19 CC(C)Sc1ccc(c(c1)Br)N 62a_100000210206_100000750455 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.19 CC(C)Sc1ccc(c(c1)Br)N 62a_100000750455_100000210206 [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.19 CC(C)Sc1ccc(c(c1)Br)O 62a_100000210206_100012361655 [0,2,0,0,0,0|2,0,0]=4 6607 B12R1.19 CC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000210206 [0,2,0,0,0,0|2,0,0]=4 6608 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)Br 62a_100000210206_100012047281 [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)Br 62a_100012047281_100000210206 [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)Cl 62a_100000210206_100011214914 [0,2,0,0,0,0|2,0,0]=4 6611 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210206 [0,2,0,0,0,0|2,0,0]=4 6612 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)F 62a_100000210206_100011215976 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)F 62a_100011215976_100000210206 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)N 62a_100000210206_100011218065 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)N 62a_100011218065_100000210206 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)O 62a_100000210206_100012360047 [0,2,0,0,0,0|2,0,0]=4 6617 B12R1.19 CC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000210206 [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.19 CC(C)Sc1ccc(c(c1)F)Br 62a_100000210206_100000685389 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.19 CC(C)Sc1ccc(c(c1)F)Br 62a_100000685389_100000210206 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.19 CC(C)Sc1ccc(c(c1)F)Cl 62a_100000210206_100011216805 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.19 CC(C)Sc1ccc(c(c1)F)Cl 62a_100011216805_100000210206 [0,2,0,0,0,0|2,0,0]=4 6622 B12R1.19 CC(C)Sc1ccc(c(c1)F)F 62a_100000210206_100000703953 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.19 CC(C)Sc1ccc(c(c1)F)F 62a_100000703953_100000210206 [0,2,0,0,0,0|2,0,0]=4 6624 B12R1.19 CC(C)Sc1ccc(c(c1)F)N 62a_100000210206_100011215594 [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.19 CC(C)Sc1ccc(c(c1)F)N 62a_100011215594_100000210206 [0,2,0,0,0,0|2,0,0]=4 6626 B12R1.19 CC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100000210206 [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.19 CC(C)Sc1ccc(c(c1)F)O 62a_100000210206_100000185481 [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.19 CC(C)Sc1ccc(c(c1)N)Br 62a_100000210206_100000750456 [0,2,0,0,0,0|2,0,0]=4 6629 B12R1.19 CC(C)Sc1ccc(c(c1)N)Br 62a_100000750456_100000210206 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.19 CC(C)Sc1ccc(c(c1)N)Cl 62a_100000210206_200000761891 [0,2,0,0,0,0|2,0,0]=4 6631 B12R1.19 CC(C)Sc1ccc(c(c1)N)Cl 62a_200000761891_100000210206 [0,2,0,0,0,0|2,0,0]=4 6632 B12R1.19 CC(C)Sc1ccc(c(c1)N)F 62a_100000210206_100000740924 [0,2,0,0,0,0|2,0,0]=4 6633 B12R1.19 CC(C)Sc1ccc(c(c1)N)F 62a_100000740924_100000210206 [0,2,0,0,0,0|2,0,0]=4 6634 B12R1.19 CC(C)Sc1ccc(c(c1)N)N 62a_100000210206_100011534411 [0,2,0,0,0,0|2,0,0]=4 6635 B12R1.19 CC(C)Sc1ccc(c(c1)N)N 62a_100000741789_100000210206 [0,2,0,0,0,0|2,0,0]=4 6636 B12R1.19 CC(C)Sc1ccc(c(c1)N)O 62a_100000210206_100000752626 [0,2,0,0,0,0|2,0,0]=4 6637 B12R1.19 CC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100000210206 [0,2,0,0,0,0|2,0,0]=4 6638 B12R1.19 CC(C)Sc1ccc(c(c1)O)Br 62a_100000210206_100012356990 [0,2,0,0,0,0|2,0,0]=4 6639 B12R1.19 CC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100000210206 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.19 CC(C)Sc1ccc(c(c1)O)Cl 62a_100000210206_100011356854 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.19 CC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000210206 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.19 CC(C)Sc1ccc(c(c1)O)F 62a_100000210206_100000686035 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.19 CC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100000210206 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.19 CC(C)Sc1ccc(c(c1)O)N 62a_100000210206_100000739049 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.19 CC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100000210206 [0,2,0,0,0,0|2,0,0]=4 6646 B12R1.19 CC(C)Sc1ccc(c(c1)O)O 62a_100000210206_100009813601 [0,2,0,0,0,0|2,0,0]=4 6647 B12R1.19 CC(C)Sc1ccc(c(n1)Br)O 62a_100000210206_100000725334 [0,2,0,0,0,0|1,0,0]=3 6648 B12R1.19 CC(C)Sc1ccc(c(n1)Br)O 62a_100000725334_100000210206 [0,2,0,0,0,0|1,0,0]=3 6649 B12R1.19 CC(C)Sc1ccc(c(n1)Cl)N 62a_100000210206_200010233646 [0,2,0,0,0,0|1,0,0]=3 6650 B12R1.19 CC(C)Sc1ccc(c(n1)Cl)N 62a_200010233646_100000210206 [0,2,0,0,0,0|1,0,0]=3 6651 B12R1.19 CC(C)Sc1ccc(c(n1)Cl)O 62a_100000210206_100000721234 [0,2,0,0,0,0|1,0,0]=3 6652 B12R1.19 CC(C)Sc1ccc(c(n1)F)Br 62a_100000210206_100010134343 [0,2,0,0,0,0|1,0,0]=3 6653 B12R1.19 CC(C)Sc1ccc(c(n1)F)Br 62a_100010134343_100000210206 [0,2,0,0,0,0|1,0,0]=3 6654 B12R1.19 CC(C)Sc1ccc(c(n1)F)N 62a_100000210206_100009856439 [0,2,0,0,0,0|1,0,0]=3 6655 B12R1.19 CC(C)Sc1ccc(c(n1)F)N 62a_100009856439_100000210206 [0,2,0,0,0,0|1,0,0]=3 6656 B12R1.19 CC(C)Sc1ccc(c(n1)F)O 62a_100000210206_100009819667 [0,2,0,0,0,0|1,0,0]=3 6657 B12R1.19 CC(C)Sc1ccc(c(n1)F)O 62a_100009819667_100000210206 [0,2,0,0,0,0|1,0,0]=3 6658 B12R1.19 CC(C)Sc1ccc(c(n1)N)F 62a_100000210206_100016091773 [0,2,0,0,0,0|1,0,0]=3 6659 B12R1.19 CC(C)Sc1ccc(c(n1)N)F 62a_100016091773_100000210206 [0,2,0,0,0,0|1,0,0]=3 6660 B12R1.19 CC(C)Sc1ccc(c(n1)N)N 62a_100000747239_100000210206 [0,2,0,0,0,0|1,0,0]=3 6661 B12R1.19 CC(C)Sc1ccc(c(n1)N)O 62a_100000210206_100000685527 [0,2,0,0,0,0|1,0,0]=3 6662 B12R1.19 CC(C)Sc1ccc(c(n1)N)O 62a_100000685527_100000210206 [0,2,0,0,0,0|1,0,0]=3 6663 B12R1.19 CC(C)Sc1ccc(c(n1)O)F 62a_100000210206_100010729010 [0,2,0,0,0,0|1,0,0]=3 6664 B12R1.19 CC(C)Sc1ccc(c(n1)O)N 62a_100000718904_100000210206 [0,2,0,0,0,0|1,0,0]=3 6665 B12R1.19 CC(C)Sc1cn(c(=O)cn1)C 62a_100000210206_100009843036 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.19 CC(C)Sc1cn(c(=O)cn1)C 62a_100009843036_100000210206 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.19 CC(C)Sc1cnc(c(n1)Br)N 62a_100000210206_100010982571 [0,2,0,0,0,0|2,0,0]=4 6668 B12R1.19 CC(C)Sc1cnc(c(n1)Br)N 62a_100010982571_100000210206 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.19 CC(C)Sc1cnc(c(n1)Cl)N 62a_100000210206_100010733632 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.19 CC(C)Sc1cnc(c(n1)Cl)N 62a_100010733632_100000210206 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.19 CC(C)Sc1cnc(c(n1)N)N 62a_100000210206_100009816827 [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.19 CC(C)Sc1cnc(c(n1)N)N 62a_100009816827_100000210206 [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.19 CC(C)Sc1ncc(c(n1)N)F 62a_100000185498_100000210206 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.19 CC(C)Sc1ncc(c(n1)N)F 62a_100000210206_100000185498 [0,2,0,0,0,0|2,0,0]=4 6675 B12R1.19 CC(C)Sc1ncc(c(n1)N)N 62a_100000210206_100011933915 [0,2,0,0,0,0|2,0,0]=4 6676 B12R1.19 CC(C)Sc1ncc(c(n1)N)N 62a_100011933915_100000210206 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.19 CC(C)Sc1ncc(c(n1)O)F 62a_100000210206_100011995740 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.19 CN(C)Cc1cc(=O)c(co1)O 2230a_100102631434_100000010605 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.19 CN(C)Cc1cc(=O)c(co1)O 269982a_100102631434_100000010605 [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.19 CN(C)Cc1ccc(c(c1)Br)Br 2230a_100102631434_100012353900 [0,2,0,0,0,0|2,0,0]=4 6681 B12R1.19 CN(C)Cc1ccc(c(c1)Br)Br 269982a_100102631434_100012353900 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.19 CN(C)Cc1ccc(c(c1)Br)Br 270004a_100102631434_100011215943 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.19 CN(C)Cc1ccc(c(c1)Br)Cl 2230a_100102631434_100012353894 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.19 CN(C)Cc1ccc(c(c1)Br)Cl 269982a_100102631434_100012353894 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.19 CN(C)Cc1ccc(c(c1)Br)Cl 270004a_100102631434_100000693810 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.19 CN(C)Cc1ccc(c(c1)Br)F 2230a_100102631434_100011206884 [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.19 CN(C)Cc1ccc(c(c1)Br)F 269982a_100102631434_100000743011 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.19 CN(C)Cc1ccc(c(c1)Br)F 270004a_100102631434_100000211747 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Br 2230a_100102631434_100012353895 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Br 269982a_100102631434_100012353895 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Br 270004a_100102631434_100000690054 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Cl 2230a_100000184578_200000210301 [0,2,0,0,0,0|2,0,0]=4 6693 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Cl 2230a_100102631434_100000184707 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Cl 269982a_100000184578_200000210301 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Cl 269982a_100102631434_100000188800 [0,2,0,0,0,0|2,0,0]=4 6696 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Cl 270004a_100102631434_100000188533 [0,2,0,0,0,0|2,0,0]=4 6697 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)Cl 34a_100000184578_200000210301 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)F 2230a_100102631434_100000717365 [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)F 269982a_100102631434_100011934319 [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)F 270004a_100102631434_100000742290 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)I 2230a_100102631434_100012349665 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.19 CN(C)Cc1ccc(c(c1)Cl)I 269982a_100102631434_100012349665 [0,2,0,0,0,0|2,0,0]=4 6703 B12R1.19 CN(C)Cc1ccc(c(c1)F)Br 2230a_100102631434_100000767054 [0,2,0,0,0,0|2,0,0]=4 6704 B12R1.19 CN(C)Cc1ccc(c(c1)F)Br 269982a_100102631434_100000767054 [0,2,0,0,0,0|2,0,0]=4 6705 B12R1.19 CN(C)Cc1ccc(c(c1)F)Br 270004a_100102631434_100000686674 [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.19 CN(C)Cc1ccc(c(c1)F)Cl 2230a_100102631434_100000716492 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.19 CN(C)Cc1ccc(c(c1)F)Cl 269982a_100102631434_100000716492 [0,2,0,0,0,0|2,0,0]=4 6708 B12R1.19 CN(C)Cc1ccc(c(c1)F)Cl 270004a_100102631434_100000745630 [0,2,0,0,0,0|2,0,0]=4 6709 B12R1.19 CN(C)Cc1ccc(c(c1)F)F 2230a_100102631434_100000757363 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.19 CN(C)Cc1ccc(c(c1)F)F 269982a_100102631434_100000757363 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.19 CN(C)Cc1ccc(c(c1)F)F 270004a_100102631434_100000211062 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.19 CN(C)Cc1ccc(c(c1)F)I 2230a_100102631434_100010149604 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.19 CN(C)Cc1ccc(c(c1)F)I 269982a_100102631434_100010149604 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.19 CN(C)Cc1ccc(c(c1)F)I 270004a_100102631434_100000050832 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.19 CN(C)Cc1ccc(c(c1)I)Br 2230a_100102631434_100010146616 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.19 CN(C)Cc1ccc(c(c1)I)Br 269982a_100102631434_100010146616 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.19 CN(C)Cc1ccc(c(c1)I)Br 270004a_100102631434_100010146563 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.19 CN(C)Cc1ccc(c(c1)I)Cl 270004a_100102631434_100010209939 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.19 CN(C)Cc1ccc(c(c1)I)F 2230a_100102631434_100010188208 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.19 CN(C)Cc1ccc(c(c1)I)F 269982a_100102631434_100010188208 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.19 CN(C)Cc1ccc(c(c1)I)F 270004a_100102631434_100010188209 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.19 CN([13CH3])Cc1ccc(c(c1)Cl)Cl 2230a_100000184578_200025704644 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.19 CN([13CH3])Cc1ccc(c(c1)Cl)Cl 269982a_100000184578_200025704644 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.19 CN([13CH3])Cc1ccc(c(c1)Cl)Cl 34a_100000184578_200025704644 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.19 Cc1cc(ccc1Br)CN(C)C 2230a_100102631434_100000727479 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.19 Cc1cc(ccc1Br)CN(C)C 269982a_100102631434_100000727479 [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.19 Cc1cc(ccc1Br)CN(C)C 270004a_100102631434_100000765772 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.19 Cc1cc(ccc1Br)NC(C)C 2230a_100000210723_100000210206 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.19 Cc1cc(ccc1Br)NC(C)C 34a_100000210723_100000210206 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.19 Cc1cc(ccc1Br)NC(C)C 7a_100000210723_100000210206 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.19 Cc1cc(ccc1Br)OC(C)C 34a_100000690111_100000210206 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.19 Cc1cc(ccc1Br)OC(C)C 7a_100000690111_100000210206 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.19 Cc1cc(ccc1Br)SC(C)C 62a_100000210206_100009813585 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.19 Cc1cc(ccc1Br)SC(C)C 62a_100009813585_100000210206 [0,2,0,0,0,0|2,0,0]=4 6735 B12R1.19 Cc1cc(ccc1Cl)CN(C)C 2230a_100102631434_100012184735 [0,2,0,0,0,0|2,0,0]=4 6736 B12R1.19 Cc1cc(ccc1Cl)CN(C)C 269982a_100102631434_100012184735 [0,2,0,0,0,0|2,0,0]=4 6737 B12R1.19 Cc1cc(ccc1Cl)CN(C)C 270004a_100102631434_100000698814 [0,2,0,0,0,0|2,0,0]=4 6738 B12R1.19 Cc1cc(ccc1Cl)NC(C)C 2230a_100000187808_100000210206 [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.19 Cc1cc(ccc1Cl)NC(C)C 34a_100000187808_100000210206 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.19 Cc1cc(ccc1Cl)NC(C)C 7a_100000187808_100000210206 [0,2,0,0,0,0|2,0,0]=4 6741 B12R1.19 Cc1cc(ccc1Cl)OC(C)C 34a_100000211092_100000210206 [0,2,0,0,0,0|2,0,0]=4 6742 B12R1.19 Cc1cc(ccc1Cl)OC(C)C 7a_100000211092_100000210206 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.19 Cc1cc(ccc1Cl)SC(C)C 62a_100000049509_100000210206 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.19 Cc1cc(ccc1Cl)SC(C)C 62a_100000210206_100000049509 [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.19 Cc1cc(ccc1F)CN(C)C 2230a_100102631434_100011216667 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.19 Cc1cc(ccc1F)CN(C)C 269982a_100102631434_100011216667 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.19 Cc1cc(ccc1F)CN(C)C 270004a_100102631434_100000748208 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.19 Cc1cc(ccc1F)NC(C)C 2230a_100000750164_100000210206 [0,2,0,0,0,0|2,0,0]=4 6749 B12R1.19 Cc1cc(ccc1F)NC(C)C 34a_100000750164_100000210206 [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.19 Cc1cc(ccc1F)NC(C)C 7a_100000750164_100000210206 [0,2,0,0,0,0|2,0,0]=4 6751 B12R1.19 Cc1cc(ccc1F)OC(C)C 34a_100000751312_100000210206 [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.19 Cc1cc(ccc1F)OC(C)C 7a_100000751312_100000210206 [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.19 Cc1cc(ccc1F)SC(C)C 62a_100000210206_100011218330 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.19 Cc1cc(ccc1F)SC(C)C 62a_100011218330_100000210206 [0,2,0,0,0,0|2,0,0]=4 6755 B12R1.19 Cc1cc(ccc1I)NC(C)C 34a_100000198070_100000210206 [0,2,0,0,0,0|2,0,0]=4 6756 B12R1.19 Cc1cc(ccc1I)NC(C)C 7a_100000198070_100000210206 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.19 Cc1cc(ccc1I)OC(C)C 34a_100000729255_100000210206 [0,2,0,0,0,0|2,0,0]=4 6758 B12R1.19 Cc1cc(ccc1I)OC(C)C 7a_100000729255_100000210206 [0,2,0,0,0,0|2,0,0]=4 6759 B12R1.19 Cc1cc(ccc1N)OC(C)C 34a_100000756630_100000210206 [0,2,0,0,0,0|2,0,0]=4 6760 B12R1.19 Cc1cc(ccc1N)OC(C)C 7a_100000756630_100000210206 [0,2,0,0,0,0|2,0,0]=4 6761 B12R1.19 Cc1cc(ccc1N)SC(C)C 62a_100000210206_100000211769 [0,2,0,0,0,0|2,0,0]=4 6762 B12R1.19 Cc1cc(ccc1N)SC(C)C 62a_100000211769_100000210206 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.19 Cc1cc(ccc1O)NC(C)C 34a_100011218179_100000210206 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.19 Cc1cc(ccc1O)NC(C)C 7a_100011218179_100000210206 [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.19 Cc1cc(ccc1O)SC(C)C 62a_100000210206_100000186361 [0,2,0,0,0,0|2,0,0]=4 6766 B12R1.19 Cc1cc(n[nH]c1=O)SC(C)C 62a_100000210206_100012187101 [0,2,0,0,0,0|2,0,0]=4 6767 B12R1.19 Cc1cc(ncc1Br)CN(C)C 270004a_100102631434_100009814806 [0,2,0,0,0,0|1,0,0]=3 6768 B12R1.19 Cc1cc(ncc1Br)OC(C)C 34a_100000766222_100000210206 [0,2,0,0,0,0|1,0,0]=3 6769 B12R1.19 Cc1cc(ncc1Br)SC(C)C 62a_100000210206_100012356354 [0,2,0,0,0,0|1,0,0]=3 6770 B12R1.19 Cc1cc(ncc1Br)SC(C)C 62a_100012356354_100000210206 [0,2,0,0,0,0|1,0,0]=3 6771 B12R1.19 Cc1cc(ncc1Cl)OC(C)C 34a_200000085746_100000210206 [0,2,0,0,0,0|1,0,0]=3 6772 B12R1.19 Cc1cc(ncc1F)SC(C)C 62a_100000210206_100009818257 [0,2,0,0,0,0|1,0,0]=3 6773 B12R1.19 Cc1cc(ncc1F)SC(C)C 62a_100009818257_100000210206 [0,2,0,0,0,0|1,0,0]=3 6774 B12R1.19 Cc1cc(ncc1N)SC(C)C 62a_100000067204_100000210206 [0,2,0,0,0,0|1,0,0]=3 6775 B12R1.19 Cc1cc(ncc1N)SC(C)C 62a_100000210206_100000067204 [0,2,0,0,0,0|1,0,0]=3 6776 B12R1.19 Cc1cc(ncc1O)SC(C)C 62a_100000210206_100000692680 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.19 Cc1cc(nnc1N)SC(C)C 62a_100000210206_100153394926 [0,2,0,0,0,0|2,0,0]=4 6778 B12R1.19 Cc1cc(nnc1N)SC(C)C 62a_100153394926_100000210206 [0,2,0,0,0,0|2,0,0]=4 6779 B12R1.19 Cc1ccc(cc1Br)CN(C)C 2230a_100102631434_100012232412 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.19 Cc1ccc(cc1Br)CN(C)C 269982a_100102631434_100012232412 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.19 Cc1ccc(cc1Br)CN(C)C 270004a_100102631434_100000695567 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.19 Cc1ccc(cc1Br)NC(C)C 2230a_100000736455_100000210206 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.19 Cc1ccc(cc1Br)NC(C)C 34a_100000736455_100000210206 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.19 Cc1ccc(cc1Br)NC(C)C 7a_100000736455_100000210206 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.19 Cc1ccc(cc1Br)OC(C)C 34a_100011380479_100000210206 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.19 Cc1ccc(cc1Br)OC(C)C 7a_100011380479_100000210206 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.19 Cc1ccc(cc1Br)SC(C)C 62a_100000210206_100011847877 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.19 Cc1ccc(cc1Br)SC(C)C 62a_100011847877_100000210206 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.19 Cc1ccc(cc1C)CN(C)C 2230a_100015204808_200000210301 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.19 Cc1ccc(cc1C)CN(C)C 2230a_100102631434_100000742320 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.19 Cc1ccc(cc1C)CN(C)C 269982a_100015204808_200000210301 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.19 Cc1ccc(cc1C)CN(C)C 269982a_100102631434_100000742320 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.19 Cc1ccc(cc1C)CN(C)C 270004a_100102631434_100000229942 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.19 Cc1ccc(cc1C)CN(C)C 34a_100015204808_200000210301 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 2230a_100015204808_200025704644 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 269982a_100015204808_200025704644 [0,2,0,0,0,0|2,0,0]=4 6797 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 34a_100015204808_200025704644 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.19 Cc1ccc(cc1C)NC(C)C 2230a_100000724040_100000210206 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.19 Cc1ccc(cc1C)NC(C)C 34a_100000724040_100000210206 [0,2,0,0,0,0|2,0,0]=4 6800 B12R1.19 Cc1ccc(cc1C)NC(C)C 7a_100000724040_100000210206 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.19 Cc1ccc(cc1C)OC(C)C 34a_100000210932_100000210206 [0,2,0,0,0,0|2,0,0]=4 6802 B12R1.19 Cc1ccc(cc1C)OC(C)C 7a_100000210932_100000210206 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.19 Cc1ccc(cc1C)SC(C)C 62a_100000210206_100011215607 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.19 Cc1ccc(cc1C)SC(C)C 62a_100011215607_100000210206 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.19 Cc1ccc(cc1Cl)CN(C)C 2230a_100102631434_100011823929 [0,2,0,0,0,0|2,0,0]=4 6806 B12R1.19 Cc1ccc(cc1Cl)CN(C)C 269982a_100102631434_100011823929 [0,2,0,0,0,0|2,0,0]=4 6807 B12R1.19 Cc1ccc(cc1Cl)CN(C)C 270004a_100102631434_100000760539 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.19 Cc1ccc(cc1Cl)NC(C)C 2230a_100000188892_100000210206 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.19 Cc1ccc(cc1Cl)NC(C)C 34a_100000188892_100000210206 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.19 Cc1ccc(cc1Cl)NC(C)C 7a_100000188892_100000210206 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.19 Cc1ccc(cc1Cl)OC(C)C 34a_100011265682_100000210206 [0,2,0,0,0,0|2,0,0]=4 6812 B12R1.19 Cc1ccc(cc1Cl)OC(C)C 7a_100011265682_100000210206 [0,2,0,0,0,0|2,0,0]=4 6813 B12R1.19 Cc1ccc(cc1Cl)SC(C)C 62a_100000210206_100011216363 [0,2,0,0,0,0|2,0,0]=4 6814 B12R1.19 Cc1ccc(cc1Cl)SC(C)C 62a_100011216363_100000210206 [0,2,0,0,0,0|2,0,0]=4 6815 B12R1.19 Cc1ccc(cc1F)CN(C)C 2230a_100102631434_100011217369 [0,2,0,0,0,0|2,0,0]=4 6816 B12R1.19 Cc1ccc(cc1F)CN(C)C 269982a_100102631434_100011217369 [0,2,0,0,0,0|2,0,0]=4 6817 B12R1.19 Cc1ccc(cc1F)CN(C)C 270004a_100102631434_100000753222 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.19 Cc1ccc(cc1F)NC(C)C 2230a_100000210958_100000210206 [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.19 Cc1ccc(cc1F)NC(C)C 34a_100000210958_100000210206 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.19 Cc1ccc(cc1F)NC(C)C 7a_100000210958_100000210206 [0,2,0,0,0,0|2,0,0]=4 6821 B12R1.19 Cc1ccc(cc1F)OC(C)C 34a_100000722560_100000210206 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.19 Cc1ccc(cc1F)OC(C)C 7a_100000722560_100000210206 [0,2,0,0,0,0|2,0,0]=4 6823 B12R1.19 Cc1ccc(cc1F)SC(C)C 62a_100000210206_100000720648 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.19 Cc1ccc(cc1F)SC(C)C 62a_100000720648_100000210206 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.19 Cc1ccc(cc1I)CN(C)C 2230a_100102631434_100010206137 [0,2,0,0,0,0|2,0,0]=4 6826 B12R1.19 Cc1ccc(cc1I)CN(C)C 269982a_100102631434_100010206137 [0,2,0,0,0,0|2,0,0]=4 6827 B12R1.19 Cc1ccc(cc1I)CN(C)C 270004a_100102631434_100010197721 [0,2,0,0,0,0|2,0,0]=4 6828 B12R1.19 Cc1ccc(cc1I)NC(C)C 34a_100000184131_100000210206 [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.19 Cc1ccc(cc1I)NC(C)C 7a_100000184131_100000210206 [0,2,0,0,0,0|2,0,0]=4 6830 B12R1.19 Cc1ccc(cc1N)OC(C)C 34a_100011216113_100000210206 [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.19 Cc1ccc(cc1N)OC(C)C 7a_100011216113_100000210206 [0,2,0,0,0,0|2,0,0]=4 6832 B12R1.19 Cc1ccc(cc1N)SC(C)C 62a_100000210206_100000761890 [0,2,0,0,0,0|2,0,0]=4 6833 B12R1.19 Cc1ccc(cc1N)SC(C)C 62a_100000761890_100000210206 [0,2,0,0,0,0|2,0,0]=4 6834 B12R1.19 Cc1ccc(cc1O)NC(C)C 34a_100000759471_100000210206 [0,2,0,0,0,0|2,0,0]=4 6835 B12R1.19 Cc1ccc(cc1O)NC(C)C 7a_100000759471_100000210206 [0,2,0,0,0,0|2,0,0]=4 6836 B12R1.19 Cc1ccc(cc1O)OC(C)C 271570a_203496583355_200010081138 [0,2,0,0,0,0|2,0,0]=4 6837 B12R1.19 Cc1ccc(cc1O)SC(C)C 62a_100000210206_100000685420 [0,2,0,0,0,0|2,0,0]=4 6838 B12R1.19 Cc1ccc(cc1O)SC(C)C 62a_100000685420_100000210206 [0,2,0,0,0,0|2,0,0]=4 6839 B12R1.19 Cc1ccc(nc1C)SC(C)C 62a_100000103781_100000210206 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.19 Cc1ccc(nc1C)SC(C)C 62a_100000210206_100000103781 [0,2,0,0,0,0|1,0,0]=3 6841 B12R1.19 Cc1ccc(nc1N)SC(C)C 62a_100000210206_100009857032 [0,2,0,0,0,0|1,0,0]=3 6842 B12R1.19 Cc1ccc(nc1N)SC(C)C 62a_100009857032_100000210206 [0,2,0,0,0,0|1,0,0]=3 6843 B12R1.19 Cc1cnc(cc1Br)CN(C)C 270004a_100102631434_100010174032 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.19 Cc1cnc(cc1Br)OC(C)C 34a_100009831917_100000210206 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.19 Cc1cnc(cc1C)SC(C)C 62a_100000210206_100009850809 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.19 Cc1cnc(cc1C)SC(C)C 62a_100009850809_100000210206 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.19 Cc1cnc(cc1F)NC(C)C 27a_100138425928_100009841206 [0,2,0,0,0,0|1,0,0]=3 6848 B12R1.19 Cc1cnc(cc1F)SC(C)C 62a_100000210206_100009841206 [0,2,0,0,0,0|1,0,0]=3 6849 B12R1.19 Cc1cnc(cc1F)SC(C)C 62a_100009841206_100000210206 [0,2,0,0,0,0|1,0,0]=3 6850 B12R1.19 Cc1cnc(cc1N)SC(C)C 62a_100000126663_100000210206 [0,2,0,0,0,0|1,0,0]=3 6851 B12R1.19 Cc1cnc(cc1N)SC(C)C 62a_100000210206_100000126663 [0,2,0,0,0,0|1,0,0]=3 6852 B12R1.19 Cc1cnc(cc1O)SC(C)C 62a_100000210206_100000704368 [0,2,0,0,0,0|1,0,0]=3 6853 B12R1.19 Cc1cnc(cc1O)SC(C)C 62a_100000704368_100000210206 [0,2,0,0,0,0|1,0,0]=3 6854 B12R1.19 Cc1cnc(nc1N)NC(C)C 27a_100138425928_100011996698 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.19 Cc1cnc(nc1N)SC(C)C 62a_100000210206_100011996698 [0,2,0,0,0,0|2,0,0]=4 6856 B12R1.19 Cc1cnc(nc1N)SC(C)C 62a_100011996698_100000210206 [0,2,0,0,0,0|2,0,0]=4 6857 B12R1.19 Cc1nc(c[nH]c1=O)SC(C)C 62a_100000210206_100010363809 [0,2,0,0,0,0|2,0,0]=4 6858 B12R1.19 Cc1nc(c[nH]c1=O)SC(C)C 62a_100010363809_100000210206 [0,2,0,0,0,0|2,0,0]=4 6859 B12R1.19 Cc1nc(ccc1Br)CN(C)C 270004a_100102631434_100010238520 [0,2,0,0,0,0|1,0,0]=3 6860 B12R1.19 Cc1nc(ccc1Br)OC(C)C 34a_100000691680_100000210206 [0,2,0,0,0,0|1,0,0]=3 6861 B12R1.19 Cc1nc(ccc1Br)SC(C)C 62a_100000210206_100012360386 [0,2,0,0,0,0|1,0,0]=3 6862 B12R1.19 Cc1nc(ccc1Br)SC(C)C 62a_100012360386_100000210206 [0,2,0,0,0,0|1,0,0]=3 6863 B12R1.19 Cc1nc(ccc1Cl)OC(C)C 34a_200009863735_100000210206 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.19 Cc1nc(ccc1F)SC(C)C 62a_100000210206_100009814307 [0,2,0,0,0,0|1,0,0]=3 6865 B12R1.19 Cc1nc(ccc1F)SC(C)C 62a_100009814307_100000210206 [0,2,0,0,0,0|1,0,0]=3 6866 B12R1.19 Cc1nc(ccc1N)SC(C)C 62a_100000210206_100000720120 [0,2,0,0,0,0|1,0,0]=3 6867 B12R1.19 Cc1nc(ccc1N)SC(C)C 62a_100000720120_100000210206 [0,2,0,0,0,0|1,0,0]=3 6868 B12R1.19 Cc1nc(ccc1O)OC(C)C 271570a_203496583355_200012350186 [0,2,0,0,0,0|1,0,0]=3 6869 B12R1.19 Cc1nc(ccc1O)SC(C)C 62a_100000210206_100010233687 [0,2,0,0,0,0|1,0,0]=3 6870 B12R1.19 Cc1nc(ccc1O)SC(C)C 62a_100010233687_100000210206 [0,2,0,0,0,0|1,0,0]=3 6871 B12R1.19 Cc1nc(cnc1N)SC(C)C 62a_100000210206_100009818571 [0,2,0,0,0,0|2,0,0]=4 6872 B12R1.19 Cc1nc(cnc1N)SC(C)C 62a_100009818571_100000210206 [0,2,0,0,0,0|2,0,0]=4 6873 B12R1.19 Cc1nc(ncc1Cl)NC(C)C 27a_100138425928_100010174973 [0,2,0,0,0,0|2,0,0]=4 6874 B12R1.19 Cc1nc(ncc1Cl)SC(C)C 62a_100000210206_100010174973 [0,2,0,0,0,0|2,0,0]=4 6875 B12R1.19 Cc1nc(ncc1Cl)SC(C)C 62a_100010174973_100000210206 [0,2,0,0,0,0|2,0,0]=4 6876 B12R1.19 Cc1nc(ncc1F)NC(C)C 27a_100138425928_100015641512 [0,2,0,0,0,0|2,0,0]=4 6877 B12R1.19 Cc1nc(ncc1F)SC(C)C 62a_100000210206_100015641512 [0,2,0,0,0,0|2,0,0]=4 6878 B12R1.19 Cc1nc(ncc1F)SC(C)C 62a_100015641512_100000210206 [0,2,0,0,0,0|2,0,0]=4 6879 B12R1.19 Cc1nc(ncc1N)NC(C)C 27a_100138425928_100000123670 [0,2,0,0,0,0|2,0,0]=4 6880 B12R1.19 Cc1nc(ncc1N)SC(C)C 62a_100000123670_100000210206 [0,2,0,0,0,0|2,0,0]=4 6881 B12R1.19 Cc1nc(ncc1N)SC(C)C 62a_100000210206_100000123670 [0,2,0,0,0,0|2,0,0]=4 6882 B12R1.19 Cc1ncc(nc1C)NC(C)C 27a_100138425928_100009878948 [0,2,0,0,0,0|2,0,0]=4 6883 B12R1.19 Cc1ncc(nc1C)OC(C)C 34a_200000700380_100000210206 [0,2,0,0,0,0|2,0,0]=4 6884 B12R1.19 Cc1ncc(nc1C)SC(C)C 62a_100000210206_100009878948 [0,2,0,0,0,0|2,0,0]=4 6885 B12R1.19 Cc1ncc(nc1C)SC(C)C 62a_100009878948_100000210206 [0,2,0,0,0,0|2,0,0]=4 6886 B12R1.20 CC(=C(C)c1ccc(cn1)Br)C 271570a_200000049429_100000686858 [0,2,0,0,0,0|0,0,2]=4 6887 B12R1.20 CC(=C(C)c1ccc(cn1)C)C 271570a_200000049429_100000754016 [0,2,0,0,0,0|0,0,2]=4 6888 B12R1.20 CC(=C(C)c1ccc(cn1)Cl)C 271570a_200000049429_100011356976 [0,2,0,0,0,0|0,0,2]=4 6889 B12R1.20 CC(=C(C)c1ccc(cn1)F)C 271570a_200000049429_100000744514 [0,2,0,0,0,0|0,0,2]=4 6890 B12R1.20 CC(=C(C)c1ccc(cn1)N)C 271570a_200000049429_100000744251 [0,2,0,0,0,0|0,0,2]=4 6891 B12R1.20 CC(=C(C)c1ccc(cn1)O)C 271570a_200000049429_100000685995 [0,2,0,0,0,0|0,0,2]=4 6892 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [0,2,0,0,0,0|1,0,1]=4 6893 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [0,2,0,0,0,0|1,0,1]=4 6894 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [0,2,0,0,0,0|1,0,1]=4 6895 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [0,2,0,0,0,0|1,0,1]=4 6896 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [0,2,0,0,0,0|1,0,1]=4 6897 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [0,2,0,0,0,0|1,0,1]=4 6898 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100000210206 [0,2,0,0,0,0|2,0,0]=4 6899 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219625_200000210301 [0,2,0,0,0,0|2,0,0]=4 6900 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100000210206 [0,2,0,0,0,0|2,0,0]=4 6901 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219625_200000210301 [0,2,0,0,0,0|2,0,0]=4 6902 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219623_100000210206 [0,2,0,0,0,0|2,0,0]=4 6903 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219625_200000210301 [0,2,0,0,0,0|2,0,0]=4 6904 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 7a_100000219625_200000210301 [0,2,0,0,0,0|2,0,0]=4 6905 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100000749197_200000210301 [0,2,0,0,0,0|2,0,0]=4 6906 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000210206 [0,2,0,0,0,0|2,0,0]=4 6907 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100000749197_200000210301 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000210206 [0,2,0,0,0,0|2,0,0]=4 6909 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100000749197_200000210301 [0,2,0,0,0,0|2,0,0]=4 6910 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100000210206 [0,2,0,0,0,0|2,0,0]=4 6911 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 7a_100000749197_200000210301 [0,2,0,0,0,0|2,0,0]=4 6912 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219829_100000210206 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219830_200000210301 [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100000210206 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219830_200000210301 [0,2,0,0,0,0|2,0,0]=4 6916 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219829_100000210206 [0,2,0,0,0,0|2,0,0]=4 6917 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219830_200000210301 [0,2,0,0,0,0|2,0,0]=4 6918 B12R1.20 CC(C)N(C)c1ccc(cc1)F 7a_100000219830_200000210301 [0,2,0,0,0,0|2,0,0]=4 6919 B12R1.20 CC(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000210206 [0,2,0,0,0,0|2,0,0]=4 6920 B12R1.20 CC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000210206 [0,2,0,0,0,0|2,0,0]=4 6921 B12R1.20 CC(C)N(C)c1ccc(cc1)I 34a_100000743151_100000210206 [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.20 CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000210206 [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.20 CC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000210206 [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.20 CC(C)N(C)c1ccc(cn1)Br 27a_200000211004_100000686858 [0,2,0,0,0,0|1,0,0]=3 6925 B12R1.20 CC(C)N(C)c1cnc(cn1)Br 27a_200000211004_100010187541 [0,2,0,0,0,0|2,0,0]=4 6926 B12R1.20 CC(C)N(C)c1cnc(cn1)F 27a_200000211004_100009856528 [0,2,0,0,0,0|2,0,0]=4 6927 B12R1.20 CC(C)N(C)c1ncc(cn1)Br 27a_200000211004_100000690281 [0,2,0,0,0,0|2,0,0]=4 6928 B12R1.20 CC(C)N(C)c1ncc(cn1)Cl 27a_200000211004_100011356929 [0,2,0,0,0,0|2,0,0]=4 6929 B12R1.20 CC(C)N(C)c1ncc(cn1)F 27a_200000211004_100000685220 [0,2,0,0,0,0|2,0,0]=4 6930 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 2230a_100000219625_200025704644 [0,2,0,0,0,0|2,0,0]=4 6931 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 269982a_100000219625_200025704644 [0,2,0,0,0,0|2,0,0]=4 6932 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 34a_100000219625_200025704644 [0,2,0,0,0,0|2,0,0]=4 6933 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 7a_100000219625_200025704644 [0,2,0,0,0,0|2,0,0]=4 6934 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 2230a_100000749197_200025704644 [0,2,0,0,0,0|2,0,0]=4 6935 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 269982a_100000749197_200025704644 [0,2,0,0,0,0|2,0,0]=4 6936 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 34a_100000749197_200025704644 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 7a_100000749197_200025704644 [0,2,0,0,0,0|2,0,0]=4 6938 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 2230a_100000219830_200025704644 [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 269982a_100000219830_200025704644 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 34a_100000219830_200025704644 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 7a_100000219830_200025704644 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [0,2,0,0,0,0|1,0,0]=3 6944 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [0,2,0,0,0,0|2,0,0]=4 6948 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [0,2,0,0,0,0|2,0,0]=4 6949 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [0,2,0,0,0,0|2,0,0]=4 6950 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [0,2,0,0,0,0|2,0,0]=4 6951 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [0,2,0,0,0,0|2,0,0]=4 6952 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [0,2,0,0,0,0|2,0,0]=4 6953 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [0,2,0,0,0,0|2,0,0]=4 6954 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [0,2,0,0,0,0|2,0,0]=4 6955 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [0,2,0,0,0,0|2,0,0]=4 6956 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [0,2,0,0,0,0|2,0,0]=4 6957 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [0,2,0,0,0,0|2,0,0]=4 6958 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [0,2,0,0,0,0|2,0,0]=4 6959 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [0,2,0,0,0,0|2,0,0]=4 6960 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [0,2,0,0,0,0|2,0,0]=4 6961 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [0,2,0,0,0,0|2,0,0]=4 6963 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [0,2,0,0,0,0|2,0,0]=4 6964 B12R1.20 CC(c1ccc(cn1)Br)N(C)C 270004a_100102631434_100000686046 [0,2,0,0,0,0|1,0,0]=3 6965 B12R1.20 CC(c1ccc(cn1)Cl)N(C)C 270004a_100102631434_100000692432 [0,2,0,0,0,0|1,0,0]=3 6966 B12R1.20 CC(c1ccc(cn1)F)N(C)C 270004a_100102631434_100102946652 [0,2,0,0,0,0|1,0,0]=3 6967 B12R1.20 CC(c1cnc(cn1)Cl)N(C)C 270004a_100102631434_100009883172 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.20 CC(c1ncc(cn1)Br)N(C)C 270004a_100102631434_100010077182 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.20 CC(c1ncc(cn1)F)N(C)C 270004a_100102631434_200009841639 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.20 CN(C)C(=O)c1ccc(cn1)O 271570a_203496583355_200011781295 [0,2,0,0,0,0|1,0,1]=4 6971 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [0,2,0,0,0,0|1,0,1]=4 6972 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000219977_100000210206 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000748792_200000210301 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000219977_100000210206 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000748792_200000210301 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000219977_100000210206 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000748792_200000210301 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 7a_100000748792_200000210301 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 2230a_100000748792_200025704644 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 269982a_100000748792_200025704644 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 34a_100000748792_200025704644 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 7a_100000748792_200025704644 [0,2,0,0,0,0|2,0,0]=4 6985 B12R1.20 Cc1ccc(nc1)C(C)N(C)C 270004a_100102631434_100000084104 [0,2,0,0,0,0|1,0,0]=3 6986 B12R1.20 Cc1ccc(nn1)N(C)C(C)C 27a_200000211004_100000744512 [0,2,0,0,0,0|2,0,0]=4 6987 B12R1.20 Cc1cnc(cn1)N(C)C(C)C 27a_200000211004_100000074397 [0,2,0,0,0,0|2,0,0]=4 6988 B12R1.20 Cc1cnc(nc1)N(C)C(C)C 27a_200000211004_100000061069 [0,2,0,0,0,0|2,0,0]=4 6989 B12R1.49 C#CC(C)Nc1ccc(cn1)Br 27a_100000707721_100000686858 [0,2,0,0,0,0|1,0,1]=4 6990 B12R1.49 C#CC(C)Oc1ccc(cn1)C 34a_100000759353_200000035995 [0,2,0,0,0,0|1,0,1]=4 6991 B12R1.49 C#CC(C)Oc1ccc(cn1)Cl 34a_100011215309_200000035995 [0,2,0,0,0,0|1,0,1]=4 6992 B12R1.49 C#CC(C)Oc1ccc(cn1)F 34a_100000742473_200000035995 [0,2,0,0,0,0|1,0,1]=4 6993 B12R1.49 C#CC(C)Oc1ccc(cn1)N 34a_100000729260_200000035995 [0,2,0,0,0,0|1,0,1]=4 6994 B12R1.49 C#CC(C)Sc1ccc(cn1)Br 62a_200000035995_100000686858 [0,2,0,0,0,0|1,0,1]=4 6995 B12R1.49 C#CC(C)Sc1ccc(cn1)C 62a_200000035995_100000754016 [0,2,0,0,0,0|1,0,1]=4 6996 B12R1.49 C#CC(C)Sc1ccc(cn1)Cl 62a_200000035995_100011356976 [0,2,0,0,0,0|1,0,1]=4 6997 B12R1.49 C#CC(C)Sc1ccc(cn1)F 62a_200000035995_100000744514 [0,2,0,0,0,0|1,0,1]=4 6998 B12R1.49 C#CC(C)Sc1ccc(cn1)N 62a_200000035995_100000737798 [0,2,0,0,0,0|1,0,1]=4 6999 B12R1.49 C#CC(C)Sc1ccc(cn1)O 62a_200000035995_100000744096 [0,2,0,0,0,0|1,0,1]=4 7000 B12R1.49 C=CC(C)Sc1ccc(cn1)Br 62a_100011215867_100000686858 [0,2,0,0,0,0|1,0,1]=4 7001 B12R1.49 C=CC(C)Sc1ccc(cn1)C 62a_100011215867_100000754016 [0,2,0,0,0,0|1,0,1]=4 7002 B12R1.49 C=CC(C)Sc1ccc(cn1)Cl 62a_100011215867_100011356976 [0,2,0,0,0,0|1,0,1]=4 7003 B12R1.49 C=CC(C)Sc1ccc(cn1)F 62a_100011215867_100000744514 [0,2,0,0,0,0|1,0,1]=4 7004 B12R1.49 C=CC(C)Sc1ccc(cn1)N 62a_100011215867_100000737798 [0,2,0,0,0,0|1,0,1]=4 7005 B12R1.49 C=CC(C)Sc1ccc(cn1)O 62a_100011215867_100000744096 [0,2,0,0,0,0|1,0,1]=4 7006 B12R1.49 CC(C#N)Sc1ccc(cn1)Br 62a_100000686858_100000703298 [0,2,0,0,0,0|1,0,1]=4 7007 B12R1.49 CC(C#N)Sc1ccc(cn1)Br 62a_100000703298_100000686858 [0,2,0,0,0,0|1,0,1]=4 7008 B12R1.49 CC(C#N)Sc1ccc(cn1)Cl 62a_100000703298_100011356976 [0,2,0,0,0,0|1,0,1]=4 7009 B12R1.49 CC(C#N)Sc1ccc(cn1)Cl 62a_100011356976_100000703298 [0,2,0,0,0,0|1,0,1]=4 7010 B12R1.49 CC(C#N)Sc1ccc(cn1)F 62a_100000703298_100000744514 [0,2,0,0,0,0|1,0,1]=4 7011 B12R1.49 CC(C#N)Sc1ccc(cn1)F 62a_100000744514_100000703298 [0,2,0,0,0,0|1,0,1]=4 7012 B12R1.49 CC(C#N)Sc1ccc(cn1)N 62a_100000703298_100000737798 [0,2,0,0,0,0|1,0,1]=4 7013 B12R1.49 CC(C#N)Sc1ccc(cn1)N 62a_100000737798_100000703298 [0,2,0,0,0,0|1,0,1]=4 7014 B12R1.49 CC(C#N)Sc1ccc(cn1)O 62a_100000685995_100000703298 [0,2,0,0,0,0|1,0,1]=4 7015 B12R1.49 CC(C#N)Sc1ccc(cn1)O 62a_100000703298_100000744096 [0,2,0,0,0,0|1,0,1]=4 7016 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,2,0,0,0,0|2,0,0]=4 7017 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,2,0,0,0,0|2,0,0]=4 7018 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,2,0,0,0,0|2,0,0]=4 7019 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,2,0,0,0,0|2,0,0]=4 7020 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,2,0,0,0,0|2,0,0]=4 7021 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,2,0,0,0,0|2,0,0]=4 7022 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,2,0,0,0,0|2,0,0]=4 7024 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,2,0,0,0,0|2,0,0]=4 7025 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,2,0,0,0,0|2,0,0]=4 7026 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,2,0,0,0,0|2,0,0]=4 7027 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,2,0,0,0,0|2,0,0]=4 7028 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,2,0,0,0,0|2,0,0]=4 7029 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,2,0,0,0,0|2,0,0]=4 7030 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.49 CC(CO)Oc1ccc(cn1)Cl 34a_100011215309_100012180447 [0,2,0,0,0,0|1,0,0]=3 7032 B12R1.49 CC(CO)Oc1ccc(cn1)F 34a_100000742473_100012180447 [0,2,0,0,0,0|1,0,0]=3 7033 B12R1.49 CC(CO)Oc1ccc(cn1)N 34a_100000729260_100012180447 [0,2,0,0,0,0|1,0,0]=3 7034 B12R1.49 CC(CO)Oc1cnc(cn1)Br 34a_100011934580_100012180447 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.49 CC(CO)Oc1cnc(cn1)Cl 34a_100015839800_100012180447 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.49 CC(CO)Oc1ncc(cn1)F 34a_100011934040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7037 B12R1.49 CC(CO)Sc1ccc(=O)[nH]n1 62a_100012180447_100009820020 [0,2,0,0,0,0|2,0,0]=4 7038 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,2,0,0,0,0|2,0,0]=4 7039 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,2,0,0,0,0|2,0,0]=4 7040 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,2,0,0,0,0|2,0,0]=4 7041 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,2,0,0,0,0|2,0,0]=4 7042 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,2,0,0,0,0|2,0,0]=4 7043 B12R1.49 CC(CO)Sc1ccc(cn1)Br 62a_100012180447_100000686858 [0,2,0,0,0,0|1,0,0]=3 7044 B12R1.49 CC(CO)Sc1ccc(cn1)Cl 62a_100012180447_100011356976 [0,2,0,0,0,0|1,0,0]=3 7045 B12R1.49 CC(CO)Sc1ccc(cn1)F 62a_100012180447_100000744514 [0,2,0,0,0,0|1,0,0]=3 7046 B12R1.49 CC(CO)Sc1ccc(cn1)N 62a_100012180447_100000737798 [0,2,0,0,0,0|1,0,0]=3 7047 B12R1.49 CC(CO)Sc1ccc(cn1)O 62a_100012180447_100000744096 [0,2,0,0,0,0|1,0,0]=3 7048 B12R1.49 CC(CO)Sc1ccc(nn1)Cl 62a_100012180447_100000068654 [0,2,0,0,0,0|2,0,0]=4 7049 B12R1.49 CC(CO)Sc1ccc(nn1)N 62a_100012180447_100010219413 [0,2,0,0,0,0|2,0,0]=4 7050 B12R1.49 CC(CO)Sc1cnc(cn1)Br 62a_100012180447_100010187541 [0,2,0,0,0,0|2,0,0]=4 7051 B12R1.49 CC(CO)Sc1cnc(cn1)Cl 62a_100012180447_100010214907 [0,2,0,0,0,0|2,0,0]=4 7052 B12R1.49 CC(CO)Sc1cnc(cn1)F 62a_100012180447_100009856528 [0,2,0,0,0,0|2,0,0]=4 7053 B12R1.49 CC(CO)Sc1cnc(cn1)N 62a_100012180447_100000744751 [0,2,0,0,0,0|2,0,0]=4 7054 B12R1.49 CC(CO)Sc1cnc(cn1)O 62a_100012180447_100015839800 [0,2,0,0,0,0|2,0,0]=4 7055 B12R1.49 CC(CO)Sc1ncc(cn1)Br 62a_100012180447_100000690281 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.49 CC(CO)Sc1ncc(cn1)Cl 62a_100012180447_100011356929 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.49 CC(CO)Sc1ncc(cn1)F 62a_100012180447_100000685220 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.49 CC(CO)Sc1ncc(cn1)N 62a_100012180447_100000068403 [0,2,0,0,0,0|2,0,0]=4 7059 B12R1.49 CC(CO)Sc1ncc(cn1)O 62a_100012180447_100000092845 [0,2,0,0,0,0|2,0,0]=4 7060 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,2,0,0,0,0|1,0,1]=4 7065 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,2,0,0,0,0|1,0,1]=4 7066 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,2,0,0,0,0|1,0,1]=4 7067 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,2,0,0,0,0|1,0,1]=4 7068 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,2,0,0,0,0|1,0,1]=4 7069 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,2,0,0,0,0|1,0,1]=4 7070 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,2,0,0,0,0|1,0,1]=4 7071 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,2,0,0,0,0|2,0,0]=4 7072 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,2,0,0,0,0|2,0,0]=4 7073 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,2,0,0,0,0|2,0,0]=4 7074 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,2,0,0,0,0|2,0,0]=4 7075 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,2,0,0,0,0|2,0,0]=4 7076 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,2,0,0,0,0|2,0,0]=4 7077 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,2,0,0,0,0|2,0,0]=4 7078 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,2,0,0,0,0|2,0,0]=4 7079 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,2,0,0,0,0|2,0,0]=4 7080 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,2,0,0,0,0|2,0,0]=4 7081 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,2,0,0,0,0|2,0,0]=4 7082 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,2,0,0,0,0|2,0,0]=4 7083 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,2,0,0,0,0|2,0,0]=4 7084 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,2,0,0,0,0|2,0,0]=4 7085 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,2,0,0,0,0|2,0,0]=4 7086 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,2,0,0,0,0|2,0,0]=4 7087 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.49 CCC(C)Oc1ccc(cn1)C 34a_100000759353_100011215416 [0,2,0,0,0,0|1,0,0]=3 7090 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100011215416 [0,2,0,0,0,0|1,0,0]=3 7091 B12R1.49 CCC(C)Oc1ccc(cn1)F 34a_100000742473_100011215416 [0,2,0,0,0,0|1,0,0]=3 7092 B12R1.49 CCC(C)Oc1ccc(cn1)N 34a_100000729260_100011215416 [0,2,0,0,0,0|1,0,0]=3 7093 B12R1.49 CCC(C)Oc1cnc(cn1)Br 34a_100011934580_100011215416 [0,2,0,0,0,0|2,0,0]=4 7094 B12R1.49 CCC(C)Oc1cnc(cn1)Cl 34a_100015839800_100011215416 [0,2,0,0,0,0|2,0,0]=4 7095 B12R1.49 CCC(C)Oc1ncc(cn1)F 34a_100011934040_100011215416 [0,2,0,0,0,0|2,0,0]=4 7096 B12R1.49 CCC(C)Sc1ccc(=O)[nH]n1 62a_100000758301_100009820020 [0,2,0,0,0,0|2,0,0]=4 7097 B12R1.49 CCC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000758301 [0,2,0,0,0,0|2,0,0]=4 7098 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,2,0,0,0,0|2,0,0]=4 7099 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,2,0,0,0,0|2,0,0]=4 7100 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,2,0,0,0,0|2,0,0]=4 7101 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,2,0,0,0,0|2,0,0]=4 7102 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,2,0,0,0,0|2,0,0]=4 7103 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,2,0,0,0,0|2,0,0]=4 7104 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,2,0,0,0,0|2,0,0]=4 7105 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,2,0,0,0,0|2,0,0]=4 7106 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,2,0,0,0,0|2,0,0]=4 7107 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,2,0,0,0,0|2,0,0]=4 7108 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,2,0,0,0,0|2,0,0]=4 7109 B12R1.49 CCC(C)Sc1ccc(cn1)Br 62a_100000686858_100000758301 [0,2,0,0,0,0|1,0,0]=3 7110 B12R1.49 CCC(C)Sc1ccc(cn1)Br 62a_100000758301_100000686858 [0,2,0,0,0,0|1,0,0]=3 7111 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100000758301_100000754016 [0,2,0,0,0,0|1,0,0]=3 7112 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100011192072_100000758301 [0,2,0,0,0,0|1,0,0]=3 7113 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100000758301_100011356976 [0,2,0,0,0,0|1,0,0]=3 7114 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000758301 [0,2,0,0,0,0|1,0,0]=3 7115 B12R1.49 CCC(C)Sc1ccc(cn1)F 62a_100000744514_100000758301 [0,2,0,0,0,0|1,0,0]=3 7116 B12R1.49 CCC(C)Sc1ccc(cn1)F 62a_100000758301_100000744514 [0,2,0,0,0,0|1,0,0]=3 7117 B12R1.49 CCC(C)Sc1ccc(cn1)N 62a_100000737798_100000758301 [0,2,0,0,0,0|1,0,0]=3 7118 B12R1.49 CCC(C)Sc1ccc(cn1)N 62a_100000758301_100000737798 [0,2,0,0,0,0|1,0,0]=3 7119 B12R1.49 CCC(C)Sc1ccc(cn1)O 62a_100000685995_100000758301 [0,2,0,0,0,0|1,0,0]=3 7120 B12R1.49 CCC(C)Sc1ccc(cn1)O 62a_100000758301_100000744096 [0,2,0,0,0,0|1,0,0]=3 7121 B12R1.49 CCC(C)Sc1ccc(nn1)C 62a_100000744512_100000758301 [0,2,0,0,0,0|2,0,0]=4 7122 B12R1.49 CCC(C)Sc1ccc(nn1)C 62a_100000758301_100000744512 [0,2,0,0,0,0|2,0,0]=4 7123 B12R1.49 CCC(C)Sc1ccc(nn1)Cl 62a_100000068654_100000758301 [0,2,0,0,0,0|2,0,0]=4 7124 B12R1.49 CCC(C)Sc1ccc(nn1)Cl 62a_100000758301_100000068654 [0,2,0,0,0,0|2,0,0]=4 7125 B12R1.49 CCC(C)Sc1ccc(nn1)N 62a_100000758301_100010219413 [0,2,0,0,0,0|2,0,0]=4 7126 B12R1.49 CCC(C)Sc1ccc(nn1)N 62a_100010219413_100000758301 [0,2,0,0,0,0|2,0,0]=4 7127 B12R1.49 CCC(C)Sc1cnc(cn1)Br 62a_100000758301_100010187541 [0,2,0,0,0,0|2,0,0]=4 7128 B12R1.49 CCC(C)Sc1cnc(cn1)Br 62a_100010187541_100000758301 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.49 CCC(C)Sc1cnc(cn1)C 62a_100000758301_100011999403 [0,2,0,0,0,0|2,0,0]=4 7130 B12R1.49 CCC(C)Sc1cnc(cn1)C 62a_100011999403_100000758301 [0,2,0,0,0,0|2,0,0]=4 7131 B12R1.49 CCC(C)Sc1cnc(cn1)Cl 62a_100000758301_100010214907 [0,2,0,0,0,0|2,0,0]=4 7132 B12R1.49 CCC(C)Sc1cnc(cn1)Cl 62a_100010214907_100000758301 [0,2,0,0,0,0|2,0,0]=4 7133 B12R1.49 CCC(C)Sc1cnc(cn1)F 62a_100000758301_100009856528 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.49 CCC(C)Sc1cnc(cn1)F 62a_100009856528_100000758301 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.49 CCC(C)Sc1cnc(cn1)N 62a_100000744751_100000758301 [0,2,0,0,0,0|2,0,0]=4 7136 B12R1.49 CCC(C)Sc1cnc(cn1)N 62a_100000758301_100000744751 [0,2,0,0,0,0|2,0,0]=4 7137 B12R1.49 CCC(C)Sc1cnc(cn1)O 62a_100000758301_100015839800 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.49 CCC(C)Sc1cnc(cn1)O 62a_100011934580_100000758301 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.49 CCC(C)Sc1ncc(cn1)Br 62a_100000690281_100000758301 [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.49 CCC(C)Sc1ncc(cn1)Br 62a_100000758301_100000690281 [0,2,0,0,0,0|2,0,0]=4 7141 B12R1.49 CCC(C)Sc1ncc(cn1)C 62a_100000061069_100000758301 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.49 CCC(C)Sc1ncc(cn1)C 62a_100000758301_100000061069 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.49 CCC(C)Sc1ncc(cn1)Cl 62a_100000758301_100011356929 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.49 CCC(C)Sc1ncc(cn1)Cl 62a_100011356929_100000758301 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.49 CCC(C)Sc1ncc(cn1)F 62a_100000685220_100000758301 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.49 CCC(C)Sc1ncc(cn1)F 62a_100000758301_100000685220 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.49 CCC(C)Sc1ncc(cn1)N 62a_100000068403_100000758301 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.49 CCC(C)Sc1ncc(cn1)N 62a_100000758301_100000068403 [0,2,0,0,0,0|2,0,0]=4 7149 B12R1.49 CCC(C)Sc1ncc(cn1)O 62a_100000730009_100000758301 [0,2,0,0,0,0|2,0,0]=4 7150 B12R1.49 CCC(C)Sc1ncc(cn1)O 62a_100000758301_100000092845 [0,2,0,0,0,0|2,0,0]=4 7151 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [0,2,0,0,0,0|2,0,0]=4 7152 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,2,0,0,0,0|2,0,0]=4 7160 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,2,0,0,0,0|2,0,0]=4 7161 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,2,0,0,0,0|2,0,0]=4 7162 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,2,0,0,0,0|2,0,0]=4 7163 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,2,0,0,0,0|2,0,0]=4 7164 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,2,0,0,0,0|2,0,0]=4 7165 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,2,0,0,0,0|2,0,0]=4 7167 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,2,0,0,0,0|2,0,0]=4 7172 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [0,2,0,0,0,0|2,0,0]=4 7181 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [0,2,0,0,0,0|2,0,0]=4 7182 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [0,2,0,0,0,0|2,0,0]=4 7183 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,2,0,0,0,0|2,0,0]=4 7184 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,2,0,0,0,0|2,0,0]=4 7185 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,2,0,0,0,0|2,0,0]=4 7186 B12R1.49 CCN(C)Cc1ccc(cn1)Br 2230a_100000225621_100000702658 [0,2,0,0,0,0|1,0,0]=3 7187 B12R1.49 CCN(C)Cc1ccc(cn1)Br 269982a_100000225621_100000702658 [0,2,0,0,0,0|1,0,0]=3 7188 B12R1.49 CCN(C)Cc1ccc(cn1)C 2230a_100000225621_100000691093 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.49 CCN(C)Cc1ccc(cn1)C 2230a_200000717808_100000210202 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.49 CCN(C)Cc1ccc(cn1)C 269982a_100000225621_100000691093 [0,2,0,0,0,0|1,0,0]=3 7191 B12R1.49 CCN(C)Cc1ccc(cn1)C 269982a_200000717808_100000204670 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.49 CCN(C)Cc1ccc(cn1)Cl 2230a_100000225621_100012066911 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.49 CCN(C)Cc1ccc(cn1)Cl 269982a_100000225621_100000697101 [0,2,0,0,0,0|1,0,0]=3 7194 B12R1.49 CCN(C)Cc1ccc(cn1)F 2230a_100000225621_100000703193 [0,2,0,0,0,0|1,0,0]=3 7195 B12R1.49 CCN(C)Cc1ccc(cn1)F 269982a_100000225621_100000703193 [0,2,0,0,0,0|1,0,0]=3 7196 B12R1.49 CCN(C)Cc1ccc(nn1)Cl 2230a_100000225621_100016992710 [0,2,0,0,0,0|2,0,0]=4 7197 B12R1.49 CCN(C)Cc1cnc(cn1)C 2230a_100000225621_100000752025 [0,2,0,0,0,0|2,0,0]=4 7198 B12R1.49 CCN(C)Cc1cnc(cn1)C 269982a_100000225621_100000752025 [0,2,0,0,0,0|2,0,0]=4 7199 B12R1.49 CCN(C)Cc1ncc(cn1)Br 269982a_100000225621_100010064664 [0,2,0,0,0,0|2,0,0]=4 7200 B12R1.49 CCN(C)Cc1ncc(cn1)C 2230a_100000225621_100000685645 [0,2,0,0,0,0|2,0,0]=4 7201 B12R1.49 CCN(C)Cc1ncc(cn1)C 269982a_100000225621_100000685645 [0,2,0,0,0,0|2,0,0]=4 7202 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [0,2,0,0,0,0|2,0,0]=4 7203 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,2,0,0,0,0|2,0,0]=4 7205 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [0,2,0,0,0,0|2,0,0]=4 7210 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.49 CN(CF)Cc1ccc(cc1)Br 269982a_100000180866_100015361967 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 269982a_100000184517_100015361967 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 34a_100000184517_100015361967 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.49 CN(CF)Cc1ccc(cc1)F 269982a_100000184576_100015361967 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.49 CN(CF)Cc1ccc(cc1)F 34a_100000184576_100015361967 [0,2,0,0,0,0|2,0,0]=4 7217 B12R1.49 CN(CF)Cc1ccc(cc1)O 269982a_100000207500_100015361967 [0,2,0,0,0,0|2,0,0]=4 7218 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,2,0,0,0,0|1,0,1]=4 7219 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,2,0,0,0,0|1,0,1]=4 7220 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,2,0,0,0,0|1,0,1]=4 7221 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,2,0,0,0,0|1,0,1]=4 7222 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,2,0,0,0,0|1,0,1]=4 7223 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,2,0,0,0,0|1,0,1]=4 7224 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,2,0,0,0,0|1,0,1]=4 7225 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,2,0,0,0,0|1,0,1]=4 7226 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,2,0,0,0,0|1,0,1]=4 7227 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,2,0,0,0,0|1,0,0]=3 7228 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,2,0,0,0,0|1,0,0]=3 7229 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,2,0,0,0,0|1,0,0]=3 7230 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,2,0,0,0,0|1,0,0]=3 7231 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,2,0,0,0,0|1,0,0]=3 7232 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,2,0,0,0,0|1,0,0]=3 7233 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,2,0,0,0,0|1,0,0]=3 7234 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,2,0,0,0,0|1,0,1]=4 7235 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,2,0,0,0,0|1,0,0]=3 7236 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,2,0,0,0,0|1,0,0]=3 7237 B12R1.49 COC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100009879195 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.49 COC(C)Sc1ccc(=O)[nH]n1 62a_100009879195_100009820020 [0,2,0,0,0,0|2,0,0]=4 7239 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [0,2,0,0,0,0|2,0,0]=4 7241 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [0,2,0,0,0,0|2,0,0]=4 7242 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [0,2,0,0,0,0|2,0,0]=4 7248 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,2,0,0,0,0|2,0,0]=4 7250 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100000686858_100009879195 [0,2,0,0,0,0|1,0,0]=3 7251 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100009879195_100000686858 [0,2,0,0,0,0|1,0,0]=3 7252 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100009879195_100000754016 [0,2,0,0,0,0|1,0,0]=3 7253 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100011192072_100009879195 [0,2,0,0,0,0|1,0,0]=3 7254 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100009879195_100011356976 [0,2,0,0,0,0|1,0,0]=3 7255 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100011356976_100009879195 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100000744514_100009879195 [0,2,0,0,0,0|1,0,0]=3 7257 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100009879195_100000744514 [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100000737798_100009879195 [0,2,0,0,0,0|1,0,0]=3 7259 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100009879195_100000737798 [0,2,0,0,0,0|1,0,0]=3 7260 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100000685995_100009879195 [0,2,0,0,0,0|1,0,0]=3 7261 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100009879195_100000744096 [0,2,0,0,0,0|1,0,0]=3 7262 B12R1.49 COC(C)Sc1ccc(nn1)C 62a_100000744512_100009879195 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.49 COC(C)Sc1ccc(nn1)C 62a_100009879195_100000744512 [0,2,0,0,0,0|2,0,0]=4 7264 B12R1.49 COC(C)Sc1ccc(nn1)Cl 62a_100000068654_100009879195 [0,2,0,0,0,0|2,0,0]=4 7265 B12R1.49 COC(C)Sc1ccc(nn1)Cl 62a_100009879195_100000068654 [0,2,0,0,0,0|2,0,0]=4 7266 B12R1.49 COC(C)Sc1ccc(nn1)N 62a_100009879195_100010219413 [0,2,0,0,0,0|2,0,0]=4 7267 B12R1.49 COC(C)Sc1ccc(nn1)N 62a_100010219413_100009879195 [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.49 COC(C)Sc1cnc(cn1)Br 62a_100009879195_100010187541 [0,2,0,0,0,0|2,0,0]=4 7269 B12R1.49 COC(C)Sc1cnc(cn1)Br 62a_100010187541_100009879195 [0,2,0,0,0,0|2,0,0]=4 7270 B12R1.49 COC(C)Sc1cnc(cn1)C 62a_100009879195_100011999403 [0,2,0,0,0,0|2,0,0]=4 7271 B12R1.49 COC(C)Sc1cnc(cn1)C 62a_100011999403_100009879195 [0,2,0,0,0,0|2,0,0]=4 7272 B12R1.49 COC(C)Sc1cnc(cn1)Cl 62a_100009879195_100010214907 [0,2,0,0,0,0|2,0,0]=4 7273 B12R1.49 COC(C)Sc1cnc(cn1)Cl 62a_100010214907_100009879195 [0,2,0,0,0,0|2,0,0]=4 7274 B12R1.49 COC(C)Sc1cnc(cn1)F 62a_100009856528_100009879195 [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.49 COC(C)Sc1cnc(cn1)F 62a_100009879195_100009856528 [0,2,0,0,0,0|2,0,0]=4 7276 B12R1.49 COC(C)Sc1cnc(cn1)N 62a_100000744751_100009879195 [0,2,0,0,0,0|2,0,0]=4 7277 B12R1.49 COC(C)Sc1cnc(cn1)N 62a_100009879195_100000744751 [0,2,0,0,0,0|2,0,0]=4 7278 B12R1.49 COC(C)Sc1cnc(cn1)O 62a_100009879195_100015839800 [0,2,0,0,0,0|2,0,0]=4 7279 B12R1.49 COC(C)Sc1cnc(cn1)O 62a_100011934580_100009879195 [0,2,0,0,0,0|2,0,0]=4 7280 B12R1.49 COC(C)Sc1ncc(cn1)Br 62a_100000690281_100009879195 [0,2,0,0,0,0|2,0,0]=4 7281 B12R1.49 COC(C)Sc1ncc(cn1)Br 62a_100009879195_100000690281 [0,2,0,0,0,0|2,0,0]=4 7282 B12R1.49 COC(C)Sc1ncc(cn1)C 62a_100000061069_100009879195 [0,2,0,0,0,0|2,0,0]=4 7283 B12R1.49 COC(C)Sc1ncc(cn1)C 62a_100009879195_100000061069 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.49 COC(C)Sc1ncc(cn1)Cl 62a_100009879195_100011356929 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.49 COC(C)Sc1ncc(cn1)Cl 62a_100011356929_100009879195 [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.49 COC(C)Sc1ncc(cn1)F 62a_100000685220_100009879195 [0,2,0,0,0,0|2,0,0]=4 7287 B12R1.49 COC(C)Sc1ncc(cn1)F 62a_100009879195_100000685220 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.49 COC(C)Sc1ncc(cn1)N 62a_100000068403_100009879195 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.49 COC(C)Sc1ncc(cn1)N 62a_100009879195_100000068403 [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.49 COC(C)Sc1ncc(cn1)O 62a_100000730009_100009879195 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.49 COC(C)Sc1ncc(cn1)O 62a_100009879195_100000092845 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.49 C[C@H](CF)Nc1ccc(cn1)Br 27a_100102880703_100000686858 [0,2,0,0,0,0|1,0,0]=3 7293 B12R1.49 C[C@H](CF)Nc1cnc(cn1)Br 27a_100102880703_100010187541 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.49 C[C@H](CF)Nc1cnc(cn1)F 27a_100102880703_100009856528 [0,2,0,0,0,0|2,0,0]=4 7295 B12R1.49 C[C@H](CF)Nc1ncc(cn1)Br 27a_100102880703_100000690281 [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.49 C[C@H](CF)Nc1ncc(cn1)Cl 27a_100102880703_100011356929 [0,2,0,0,0,0|2,0,0]=4 7297 B12R1.49 C[C@H](CF)Nc1ncc(cn1)F 27a_100102880703_100000685220 [0,2,0,0,0,0|2,0,0]=4 7298 B12R1.49 C[C@H](CO)Nc1ccc(cn1)Br 27a_100000737577_100000686858 [0,2,0,0,0,0|1,0,0]=3 7299 B12R1.49 C[C@H](CO)Nc1cnc(cn1)Br 27a_100000737577_100010187541 [0,2,0,0,0,0|2,0,0]=4 7300 B12R1.49 C[C@H](CO)Nc1cnc(cn1)F 27a_100000737577_100009856528 [0,2,0,0,0,0|2,0,0]=4 7301 B12R1.49 C[C@H](CO)Nc1ncc(cn1)Br 27a_100000737577_100000690281 [0,2,0,0,0,0|2,0,0]=4 7302 B12R1.49 C[C@H](CO)Nc1ncc(cn1)Cl 27a_100000737577_100011356929 [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.49 C[C@H](CO)Nc1ncc(cn1)F 27a_100000737577_100000685220 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]n1 62a_100009820020_100016084084 [0,2,0,0,0,0|2,0,0]=4 7305 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]n1 62a_100016084084_100009820020 [0,2,0,0,0,0|2,0,0]=4 7306 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,2,0,0,0,0|2,0,0]=4 7307 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,2,0,0,0,0|2,0,0]=4 7310 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,2,0,0,0,0|2,0,0]=4 7311 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,2,0,0,0,0|2,0,0]=4 7312 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100000686858_100016084084 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100016084084_100000686858 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100011356976_100016084084 [0,2,0,0,0,0|1,0,0]=3 7318 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100016084084_100011356976 [0,2,0,0,0,0|1,0,0]=3 7319 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100000744514_100016084084 [0,2,0,0,0,0|1,0,0]=3 7320 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100016084084_100000744514 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100000737798_100016084084 [0,2,0,0,0,0|1,0,0]=3 7322 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100016084084_100000737798 [0,2,0,0,0,0|1,0,0]=3 7323 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100000685995_100016084084 [0,2,0,0,0,0|1,0,0]=3 7324 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100016084084_100000744096 [0,2,0,0,0,0|1,0,0]=3 7325 B12R1.49 C[C@H](CO)Sc1ccc(nn1)Cl 62a_100000068654_100016084084 [0,2,0,0,0,0|2,0,0]=4 7326 B12R1.49 C[C@H](CO)Sc1ccc(nn1)Cl 62a_100016084084_100000068654 [0,2,0,0,0,0|2,0,0]=4 7327 B12R1.49 C[C@H](CO)Sc1ccc(nn1)N 62a_100010219413_100016084084 [0,2,0,0,0,0|2,0,0]=4 7328 B12R1.49 C[C@H](CO)Sc1ccc(nn1)N 62a_100016084084_100010219413 [0,2,0,0,0,0|2,0,0]=4 7329 B12R1.49 C[C@H](CO)Sc1cnc(cn1)Br 62a_100010187541_100016084084 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.49 C[C@H](CO)Sc1cnc(cn1)Br 62a_100016084084_100010187541 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.49 C[C@H](CO)Sc1cnc(cn1)Cl 62a_100010214907_100016084084 [0,2,0,0,0,0|2,0,0]=4 7332 B12R1.49 C[C@H](CO)Sc1cnc(cn1)Cl 62a_100016084084_100010214907 [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.49 C[C@H](CO)Sc1cnc(cn1)F 62a_100009856528_100016084084 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.49 C[C@H](CO)Sc1cnc(cn1)F 62a_100016084084_100009856528 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.49 C[C@H](CO)Sc1cnc(cn1)N 62a_100000744751_100016084084 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.49 C[C@H](CO)Sc1cnc(cn1)N 62a_100016084084_100000744751 [0,2,0,0,0,0|2,0,0]=4 7337 B12R1.49 C[C@H](CO)Sc1cnc(cn1)O 62a_100011934580_100016084084 [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.49 C[C@H](CO)Sc1cnc(cn1)O 62a_100016084084_100015839800 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.49 C[C@H](CO)Sc1ncc(cn1)Br 62a_100000690281_100016084084 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.49 C[C@H](CO)Sc1ncc(cn1)Br 62a_100016084084_100000690281 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.49 C[C@H](CO)Sc1ncc(cn1)Cl 62a_100011356929_100016084084 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.49 C[C@H](CO)Sc1ncc(cn1)Cl 62a_100016084084_100011356929 [0,2,0,0,0,0|2,0,0]=4 7343 B12R1.49 C[C@H](CO)Sc1ncc(cn1)F 62a_100000685220_100016084084 [0,2,0,0,0,0|2,0,0]=4 7344 B12R1.49 C[C@H](CO)Sc1ncc(cn1)F 62a_100016084084_100000685220 [0,2,0,0,0,0|2,0,0]=4 7345 B12R1.49 C[C@H](CO)Sc1ncc(cn1)N 62a_100000068403_100016084084 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.49 C[C@H](CO)Sc1ncc(cn1)N 62a_100016084084_100000068403 [0,2,0,0,0,0|2,0,0]=4 7347 B12R1.49 C[C@H](CO)Sc1ncc(cn1)O 62a_100000730009_100016084084 [0,2,0,0,0,0|2,0,0]=4 7348 B12R1.49 C[C@H](CO)Sc1ncc(cn1)O 62a_100016084084_100000092845 [0,2,0,0,0,0|2,0,0]=4 7349 B12R1.49 Cc1ccc(cc1)CN(C)CF 269982a_100000744650_100015361967 [0,2,0,0,0,0|2,0,0]=4 7350 B12R1.49 Cc1ccc(cc1)CN(C)CF 34a_100000744650_100015361967 [0,2,0,0,0,0|2,0,0]=4 7351 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,2,0,0,0,0|2,0,0]=4 7352 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,2,0,0,0,0|2,0,0]=4 7353 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,2,0,0,0,0|2,0,0]=4 7354 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,2,0,0,0,0|1,0,1]=4 7358 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,2,0,0,0,0|1,0,1]=4 7359 B12R1.49 Cc1ccc(nc1)CN(C)CF 269982a_200000717808_100015361967 [0,2,0,0,0,0|1,0,0]=3 7360 B12R1.49 Cc1ccc(nc1)OC(C)CO 34a_100000759353_100012180447 [0,2,0,0,0,0|1,0,0]=3 7361 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100000703298_100000754016 [0,2,0,0,0,0|1,0,1]=4 7362 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100011192072_100000703298 [0,2,0,0,0,0|1,0,1]=4 7363 B12R1.49 Cc1ccc(nc1)SC(C)CO 62a_100012180447_100000754016 [0,2,0,0,0,0|1,0,0]=3 7364 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100011192072_100016084084 [0,2,0,0,0,0|1,0,0]=3 7365 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000754016 [0,2,0,0,0,0|1,0,0]=3 7366 B12R1.49 Cc1ccc(nn1)N[C@H](C)CF 27a_100102880703_100000744512 [0,2,0,0,0,0|2,0,0]=4 7367 B12R1.49 Cc1ccc(nn1)N[C@H](C)CO 27a_100000737577_100000744512 [0,2,0,0,0,0|2,0,0]=4 7368 B12R1.49 Cc1ccc(nn1)SC(C)CO 62a_100012180447_100000744512 [0,2,0,0,0,0|2,0,0]=4 7369 B12R1.49 Cc1ccc(nn1)S[C@H](C)CO 62a_100000744512_100016084084 [0,2,0,0,0,0|2,0,0]=4 7370 B12R1.49 Cc1ccc(nn1)S[C@H](C)CO 62a_100016084084_100000744512 [0,2,0,0,0,0|2,0,0]=4 7371 B12R1.49 Cc1cnc(cn1)N[C@H](C)CF 27a_100102880703_100000074397 [0,2,0,0,0,0|2,0,0]=4 7372 B12R1.49 Cc1cnc(cn1)N[C@H](C)CO 27a_100000737577_100000074397 [0,2,0,0,0,0|2,0,0]=4 7373 B12R1.49 Cc1cnc(cn1)SC(C)CO 62a_100012180447_100011999403 [0,2,0,0,0,0|2,0,0]=4 7374 B12R1.49 Cc1cnc(cn1)S[C@H](C)CO 62a_100011999403_100016084084 [0,2,0,0,0,0|2,0,0]=4 7375 B12R1.49 Cc1cnc(cn1)S[C@H](C)CO 62a_100016084084_100011999403 [0,2,0,0,0,0|2,0,0]=4 7376 B12R1.49 Cc1cnc(nc1)N[C@H](C)CF 27a_100102880703_100000061069 [0,2,0,0,0,0|2,0,0]=4 7377 B12R1.49 Cc1cnc(nc1)N[C@H](C)CO 27a_100000737577_100000061069 [0,2,0,0,0,0|2,0,0]=4 7378 B12R1.49 Cc1cnc(nc1)SC(C)CO 62a_100012180447_100000061069 [0,2,0,0,0,0|2,0,0]=4 7379 B12R1.49 Cc1cnc(nc1)S[C@H](C)CO 62a_100000061069_100016084084 [0,2,0,0,0,0|2,0,0]=4 7380 B12R1.49 Cc1cnc(nc1)S[C@H](C)CO 62a_100016084084_100000061069 [0,2,0,0,0,0|2,0,0]=4 7381 B12R1.49 O=C(CF)Cc1ccc(cn1)Br 1458a_100020629044_100015361967 [0,2,0,0,0,0|1,0,1]=4 7382 B12R1.49 O=C(CF)Cc1ccc(cn1)Cl 1458a_100000728320_100015361967 [0,2,0,0,0,0|1,0,1]=4 7383 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,2,0,0,0,0|1,0,1]=4 7384 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,2,0,0,0,0|1,0,1]=4 7385 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,2,0,0,0,0|1,0,1]=4 7386 B12R1.106 CC(C)(C)Nc1ccc(cc1)Br 34a_100000210018_100000210625 [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.106 CC(C)(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210625 [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.106 CC(C)(C)Nc1ccc(cc1)F 34a_100000185862_100000210625 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.106 CC(C)(C)Nc1ccc(cc1)I 34a_100000185761_100000210625 [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.106 CC(C)(C)Nc1ccc(cc1)O 34a_100000185829_100000210625 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.106 CC(C)(C)Nc1ncc(cn1)O 271570a_203496583355_200011939126 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br 34a_100000185759_100000210625 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.106 CC(C)(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210625 [0,2,0,0,0,0|2,0,0]=4 7394 B12R1.106 CC(C)(C)Oc1ccc(cc1)F 34a_100000210339_100000210625 [0,2,0,0,0,0|2,0,0]=4 7395 B12R1.106 CC(C)(C)Oc1ccc(cc1)I 34a_100000212066_100000210625 [0,2,0,0,0,0|2,0,0]=4 7396 B12R1.106 CC(C)(C)Oc1ccc(cc1)N 34a_100000185829_100000210625 [0,2,0,0,0,0|2,0,0]=4 7397 B12R1.106 CC(C)(C)Oc1ccc(cc1)O 271570a_203496583355_100000701926 [0,2,0,0,0,0|2,0,0]=4 7398 B12R1.106 CC(C)(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210625 [0,2,0,0,0,0|1,0,0]=3 7399 B12R1.106 CC(C)(C)Oc1ccc(cn1)F 34a_100000742473_100000210625 [0,2,0,0,0,0|1,0,0]=3 7400 B12R1.106 CC(C)(C)Oc1ccc(cn1)N 34a_100000729260_100000210625 [0,2,0,0,0,0|1,0,0]=3 7401 B12R1.106 CC(C)(C)Oc1ccc(cn1)O 271570a_203496583355_200000688780 [0,2,0,0,0,0|1,0,0]=3 7402 B12R1.106 CC(C)(C)Oc1ccc(nn1)O 271570a_203496583355_100011250755 [0,2,0,0,0,0|2,0,0]=4 7403 B12R1.106 CC(C)(C)Oc1cnc(cn1)Br 34a_100011934580_100000210625 [0,2,0,0,0,0|2,0,0]=4 7404 B12R1.106 CC(C)(C)Oc1cnc(cn1)Cl 34a_100015839800_100000210625 [0,2,0,0,0,0|2,0,0]=4 7405 B12R1.106 CC(C)(C)Oc1ncc(cn1)F 34a_100011934040_100000210625 [0,2,0,0,0,0|2,0,0]=4 7406 B12R1.106 CC(C)(C)Oc1ncc(cn1)O 271570a_203496583355_100011830486 [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.106 CC(C)(C)Sc1ccc(=O)[nH]n1 62a_100000211941_100009820020 [0,2,0,0,0,0|2,0,0]=4 7408 B12R1.106 CC(C)(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000211941 [0,2,0,0,0,0|2,0,0]=4 7409 B12R1.106 CC(C)(C)Sc1ccc(cc1)Br 62a_100000211941_100000752885 [0,2,0,0,0,0|2,0,0]=4 7410 B12R1.106 CC(C)(C)Sc1ccc(cc1)Br 62a_100000752885_100000211941 [0,2,0,0,0,0|2,0,0]=4 7411 B12R1.106 CC(C)(C)Sc1ccc(cc1)Cl 62a_100000211941_100000755918 [0,2,0,0,0,0|2,0,0]=4 7412 B12R1.106 CC(C)(C)Sc1ccc(cc1)Cl 62a_100000755918_100000211941 [0,2,0,0,0,0|2,0,0]=4 7413 B12R1.106 CC(C)(C)Sc1ccc(cc1)F 62a_100000211213_100000211941 [0,2,0,0,0,0|2,0,0]=4 7414 B12R1.106 CC(C)(C)Sc1ccc(cc1)F 62a_100000211941_100000211213 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.106 CC(C)(C)Sc1ccc(cc1)N 62a_100000185761_100000211941 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.106 CC(C)(C)Sc1ccc(cc1)N 62a_100000211941_100000185761 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.106 CC(C)(C)Sc1ccc(cc1)O 271570a_203496583355_200009816747 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.106 CC(C)(C)Sc1ccc(cc1)O 62a_100000211941_100000185759 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.106 CC(C)(C)Sc1ccc(cn1)Br 62a_100000211941_100000686858 [0,2,0,0,0,0|1,0,0]=3 7420 B12R1.106 CC(C)(C)Sc1ccc(cn1)Br 62a_100000686858_100000211941 [0,2,0,0,0,0|1,0,0]=3 7421 B12R1.106 CC(C)(C)Sc1ccc(cn1)Cl 62a_100000211941_100011356976 [0,2,0,0,0,0|1,0,0]=3 7422 B12R1.106 CC(C)(C)Sc1ccc(cn1)Cl 62a_100011356976_100000211941 [0,2,0,0,0,0|1,0,0]=3 7423 B12R1.106 CC(C)(C)Sc1ccc(cn1)F 62a_100000211941_100000744514 [0,2,0,0,0,0|1,0,0]=3 7424 B12R1.106 CC(C)(C)Sc1ccc(cn1)F 62a_100000744514_100000211941 [0,2,0,0,0,0|1,0,0]=3 7425 B12R1.106 CC(C)(C)Sc1ccc(cn1)N 62a_100000211941_100000737798 [0,2,0,0,0,0|1,0,0]=3 7426 B12R1.106 CC(C)(C)Sc1ccc(cn1)N 62a_100000737798_100000211941 [0,2,0,0,0,0|1,0,0]=3 7427 B12R1.106 CC(C)(C)Sc1ccc(cn1)O 62a_100000211941_100000744096 [0,2,0,0,0,0|1,0,0]=3 7428 B12R1.106 CC(C)(C)Sc1ccc(cn1)O 62a_100000685995_100000211941 [0,2,0,0,0,0|1,0,0]=3 7429 B12R1.106 CC(C)(C)Sc1ccc(nn1)Cl 62a_100000068654_100000211941 [0,2,0,0,0,0|2,0,0]=4 7430 B12R1.106 CC(C)(C)Sc1ccc(nn1)Cl 62a_100000211941_100000068654 [0,2,0,0,0,0|2,0,0]=4 7431 B12R1.106 CC(C)(C)Sc1ccc(nn1)N 62a_100000211941_100010219413 [0,2,0,0,0,0|2,0,0]=4 7432 B12R1.106 CC(C)(C)Sc1ccc(nn1)N 62a_100010219413_100000211941 [0,2,0,0,0,0|2,0,0]=4 7433 B12R1.106 CC(C)(C)Sc1cnc(cn1)Br 62a_100000211941_100010187541 [0,2,0,0,0,0|2,0,0]=4 7434 B12R1.106 CC(C)(C)Sc1cnc(cn1)Br 62a_100010187541_100000211941 [0,2,0,0,0,0|2,0,0]=4 7435 B12R1.106 CC(C)(C)Sc1cnc(cn1)Cl 62a_100000211941_100010214907 [0,2,0,0,0,0|2,0,0]=4 7436 B12R1.106 CC(C)(C)Sc1cnc(cn1)Cl 62a_100010214907_100000211941 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.106 CC(C)(C)Sc1cnc(cn1)F 62a_100000211941_100009856528 [0,2,0,0,0,0|2,0,0]=4 7438 B12R1.106 CC(C)(C)Sc1cnc(cn1)F 62a_100009856528_100000211941 [0,2,0,0,0,0|2,0,0]=4 7439 B12R1.106 CC(C)(C)Sc1cnc(cn1)N 62a_100000211941_100000744751 [0,2,0,0,0,0|2,0,0]=4 7440 B12R1.106 CC(C)(C)Sc1cnc(cn1)N 62a_100000744751_100000211941 [0,2,0,0,0,0|2,0,0]=4 7441 B12R1.106 CC(C)(C)Sc1cnc(cn1)O 62a_100000211941_100015839800 [0,2,0,0,0,0|2,0,0]=4 7442 B12R1.106 CC(C)(C)Sc1cnc(cn1)O 62a_100011934580_100000211941 [0,2,0,0,0,0|2,0,0]=4 7443 B12R1.106 CC(C)(C)Sc1ncc(cn1)Br 62a_100000211941_100000690281 [0,2,0,0,0,0|2,0,0]=4 7444 B12R1.106 CC(C)(C)Sc1ncc(cn1)Br 62a_100000690281_100000211941 [0,2,0,0,0,0|2,0,0]=4 7445 B12R1.106 CC(C)(C)Sc1ncc(cn1)Cl 62a_100000211941_100011356929 [0,2,0,0,0,0|2,0,0]=4 7446 B12R1.106 CC(C)(C)Sc1ncc(cn1)Cl 62a_100011356929_100000211941 [0,2,0,0,0,0|2,0,0]=4 7447 B12R1.106 CC(C)(C)Sc1ncc(cn1)F 62a_100000211941_100000685220 [0,2,0,0,0,0|2,0,0]=4 7448 B12R1.106 CC(C)(C)Sc1ncc(cn1)F 62a_100000685220_100000211941 [0,2,0,0,0,0|2,0,0]=4 7449 B12R1.106 CC(C)(C)Sc1ncc(cn1)N 62a_100000068403_100000211941 [0,2,0,0,0,0|2,0,0]=4 7450 B12R1.106 CC(C)(C)Sc1ncc(cn1)N 62a_100000211941_100000068403 [0,2,0,0,0,0|2,0,0]=4 7451 B12R1.106 CC(C)(C)Sc1ncc(cn1)O 62a_100000211941_100000092845 [0,2,0,0,0,0|2,0,0]=4 7452 B12R1.106 CC(C)(C)Sc1ncc(cn1)O 62a_100000730009_100000211941 [0,2,0,0,0,0|2,0,0]=4 7453 B12R1.106 CC(F)(F)Cc1ccc(cc1)O 271570a_203496583355_100010238340 [0,2,0,0,0,0|2,0,0]=4 7454 B12R1.106 C[Si](C)(C)Cc1ccc(cc1)O 271570a_203496583355_100009813299 [0,2,0,0,0,0|1,1,0]=4 7455 B12R1.106 Cc1ccc(cc1)NC(C)(C)C 34a_100000124888_100000210625 [0,2,0,0,0,0|2,0,0]=4 7456 B12R1.106 Cc1ccc(cc1)OC(C)(C)C 34a_100000210336_100000210625 [0,2,0,0,0,0|2,0,0]=4 7457 B12R1.106 Cc1ccc(cc1)SC(C)(C)C 62a_100000186775_100000211941 [0,2,0,0,0,0|2,0,0]=4 7458 B12R1.106 Cc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000186775 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.106 Cc1ccc(nc1)OC(C)(C)C 34a_100000759353_100000210625 [0,2,0,0,0,0|1,0,0]=3 7460 B12R1.106 Cc1ccc(nc1)SC(C)(C)C 62a_100000211941_100000754016 [0,2,0,0,0,0|1,0,0]=3 7461 B12R1.106 Cc1ccc(nc1)SC(C)(C)C 62a_100011192072_100000211941 [0,2,0,0,0,0|1,0,0]=3 7462 B12R1.106 Cc1ccc(nn1)SC(C)(C)C 62a_100000211941_100000744512 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.106 Cc1ccc(nn1)SC(C)(C)C 62a_100000744512_100000211941 [0,2,0,0,0,0|2,0,0]=4 7464 B12R1.106 Cc1cnc(cn1)SC(C)(C)C 62a_100000211941_100011999403 [0,2,0,0,0,0|2,0,0]=4 7465 B12R1.106 Cc1cnc(cn1)SC(C)(C)C 62a_100011999403_100000211941 [0,2,0,0,0,0|2,0,0]=4 7466 B12R1.106 Cc1cnc(nc1)SC(C)(C)C 62a_100000061069_100000211941 [0,2,0,0,0,0|2,0,0]=4 7467 B12R1.106 Cc1cnc(nc1)SC(C)(C)C 62a_100000211941_100000061069 [0,2,0,0,0,0|2,0,0]=4 7468 B12R1.106 Oc1ccc(nc1)CC(F)(F)F 271570a_203496583355_100010116848 [0,2,0,0,0,0|2,0,0]=4 7469 B12R1.233 CC(=Cc1ncc(cc1Br)Cl)C 271570a_100102525489_100012154958 [0,2,0,0,0,0|0,0,2]=4 7470 B12R1.233 CC(=Cc1ncc(cc1C)Br)C 271570a_100102525489_100012353652 [0,2,0,0,0,0|0,0,2]=4 7471 B12R1.233 CC(=Cc1ncc(cc1C)C)C 271570a_100102525489_100009864548 [0,2,0,0,0,0|0,0,2]=4 7472 B12R1.233 CC(=Cc1ncc(cc1C)F)C 271570a_100102525489_100009817009 [0,2,0,0,0,0|0,0,2]=4 7473 B12R1.233 CC(=Cc1ncc(cc1C)N)C 271570a_100102525489_100000761747 [0,2,0,0,0,0|0,0,2]=4 7474 B12R1.233 CC(=Cc1ncc(cc1C)O)C 271570a_100102525489_100012000486 [0,2,0,0,0,0|0,0,2]=4 7475 B12R1.233 CC(=Cc1ncc(cc1F)Br)C 271570a_100102525489_100012348576 [0,2,0,0,0,0|0,0,2]=4 7476 B12R1.233 CC(=Cc1ncc(cc1F)C)C 271570a_100102525489_100009819633 [0,2,0,0,0,0|0,0,2]=4 7477 B12R1.233 CC(=Cc1ncc(cc1F)Cl)C 271570a_100102525489_100012348686 [0,2,0,0,0,0|0,0,2]=4 7478 B12R1.233 CC(=Cc1ncc(cc1F)F)C 271570a_100102525489_100011219543 [0,2,0,0,0,0|0,0,2]=4 7479 B12R1.233 CC(=Cc1ncc(cc1F)N)C 271570a_100102525489_100010280766 [0,2,0,0,0,0|0,0,2]=4 7480 B12R1.233 CC(=Cc1ncc(cc1F)O)C 271570a_100102525489_100000063512 [0,2,0,0,0,0|0,0,2]=4 7481 B12R1.233 CC(=Cc1ncc(cc1N)Br)C 271570a_100102525489_100010090555 [0,2,0,0,0,0|0,0,2]=4 7482 B12R1.233 CC(=Cc1ncc(cc1N)C)C 271570a_100102525489_100000733613 [0,2,0,0,0,0|0,0,2]=4 7483 B12R1.233 CC(=Cc1ncc(cc1N)F)C 271570a_100102525489_100009817643 [0,2,0,0,0,0|0,0,2]=4 7484 B12R1.233 CC(=Cc1ncc(cc1N)N)C 271570a_100102525489_200000093520 [0,2,0,0,0,0|0,0,2]=4 7485 B12R1.233 CC(=Cc1ncc(cc1O)Br)C 271570a_100102525489_100010210634 [0,2,0,0,0,0|0,0,2]=4 7486 B12R1.233 CC(=Cc1ncc(cc1O)C)C 271570a_100102525489_100012000487 [0,2,0,0,0,0|0,0,2]=4 7487 B12R1.233 CC(=Cc1ncc(cc1O)Cl)C 271570a_100102525489_100010233512 [0,2,0,0,0,0|0,0,2]=4 7488 B12R1.233 CC(=Cc1ncc(cc1O)F)C 271570a_100102525489_100000079967 [0,2,0,0,0,0|0,0,2]=4 7489 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,2,0,0,0,0|1,0,1]=4 7490 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,2,0,0,0,0|1,0,1]=4 7491 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,2,0,0,0,0|1,0,1]=4 7492 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,2,0,0,0,0|1,0,1]=4 7493 B12R1.233 CC(C)Nc1ccc(cc1Br)Br 34a_100000211012_100000210206 [0,2,0,0,0,0|2,0,0]=4 7494 B12R1.233 CC(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100000210206 [0,2,0,0,0,0|2,0,0]=4 7495 B12R1.233 CC(C)Nc1ccc(cc1Br)F 34a_100000738039_100000210206 [0,2,0,0,0,0|2,0,0]=4 7496 B12R1.233 CC(C)Nc1ccc(cc1Br)O 34a_100012001276_100000210206 [0,2,0,0,0,0|2,0,0]=4 7497 B12R1.233 CC(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100000210206 [0,2,0,0,0,0|2,0,0]=4 7498 B12R1.233 CC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100000210206 [0,2,0,0,0,0|2,0,0]=4 7499 B12R1.233 CC(C)Nc1ccc(cc1Cl)F 34a_100000212003_100000210206 [0,2,0,0,0,0|2,0,0]=4 7500 B12R1.233 CC(C)Nc1ccc(cc1Cl)I 34a_100011218065_100000210206 [0,2,0,0,0,0|2,0,0]=4 7501 B12R1.233 CC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000210206 [0,2,0,0,0,0|2,0,0]=4 7502 B12R1.233 CC(C)Nc1ccc(cc1F)Br 34a_100000210722_100000210206 [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.233 CC(C)Nc1ccc(cc1F)Cl 34a_100000211020_100000210206 [0,2,0,0,0,0|2,0,0]=4 7504 B12R1.233 CC(C)Nc1ccc(cc1F)F 34a_100000210720_100000210206 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.233 CC(C)Nc1ccc(cc1F)I 34a_100011215594_100000210206 [0,2,0,0,0,0|2,0,0]=4 7506 B12R1.233 CC(C)Nc1ccc(cc1F)O 34a_100000759473_100000210206 [0,2,0,0,0,0|2,0,0]=4 7507 B12R1.233 CC(C)Nc1ccc(cc1I)Br 34a_100000187925_100000210206 [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.233 CC(C)Nc1ccc(cc1I)Cl 34a_100000761889_100000210206 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.233 CC(C)Nc1ccc(cc1I)F 34a_100000760547_100000210206 [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.233 CC(C)Nc1ccc(cc1I)O 34a_100010084370_100000210206 [0,2,0,0,0,0|2,0,0]=4 7511 B12R1.233 CC(C)Nc1ccc(cc1O)Br 34a_100000739049_100000210206 [0,2,0,0,0,0|2,0,0]=4 7512 B12R1.233 CC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100000210206 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.233 CC(C)Nc1ccc(cc1O)F 34a_100000753323_100000210206 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.233 CC(C)Nc1ccc(cc1O)O 34a_100000106777_100000210206 [0,2,0,0,0,0|2,0,0]=4 7515 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 34a_100000188717_100000210206 [0,2,0,0,0,0|2,0,0]=4 7516 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 7a_100000188717_100000210206 [0,2,0,0,0,0|2,0,0]=4 7517 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100000210206 [0,2,0,0,0,0|2,0,0]=4 7518 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000210206 [0,2,0,0,0,0|2,0,0]=4 7519 B12R1.233 CC(C)Oc1ccc(cc1Br)F 34a_100000211999_100000210206 [0,2,0,0,0,0|2,0,0]=4 7520 B12R1.233 CC(C)Oc1ccc(cc1Br)F 7a_100000211999_100000210206 [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.233 CC(C)Oc1ccc(cc1Br)I 34a_100012361655_100000210206 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.233 CC(C)Oc1ccc(cc1Br)I 7a_100012361655_100000210206 [0,2,0,0,0,0|2,0,0]=4 7523 B12R1.233 CC(C)Oc1ccc(cc1Br)N 34a_100011534360_100000210206 [0,2,0,0,0,0|2,0,0]=4 7524 B12R1.233 CC(C)Oc1ccc(cc1Br)N 7a_100011534360_100000210206 [0,2,0,0,0,0|2,0,0]=4 7525 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100000210206 [0,2,0,0,0,0|2,0,0]=4 7526 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000210206 [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100000210206 [0,2,0,0,0,0|2,0,0]=4 7528 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000210206 [0,2,0,0,0,0|2,0,0]=4 7529 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100000210206 [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000210206 [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100000210206 [0,2,0,0,0,0|2,0,0]=4 7532 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000210206 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100000210206 [0,2,0,0,0,0|2,0,0]=4 7534 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000210206 [0,2,0,0,0,0|2,0,0]=4 7535 B12R1.233 CC(C)Oc1ccc(cc1F)Br 34a_100000185481_100000210206 [0,2,0,0,0,0|2,0,0]=4 7536 B12R1.233 CC(C)Oc1ccc(cc1F)Br 7a_100000185481_100000210206 [0,2,0,0,0,0|2,0,0]=4 7537 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100000210206 [0,2,0,0,0,0|2,0,0]=4 7538 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000210206 [0,2,0,0,0,0|2,0,0]=4 7539 B12R1.233 CC(C)Oc1ccc(cc1F)F 34a_100000230127_100000210206 [0,2,0,0,0,0|2,0,0]=4 7540 B12R1.233 CC(C)Oc1ccc(cc1F)F 7a_100000230127_100000210206 [0,2,0,0,0,0|2,0,0]=4 7541 B12R1.233 CC(C)Oc1ccc(cc1F)I 34a_100011356965_100000210206 [0,2,0,0,0,0|2,0,0]=4 7542 B12R1.233 CC(C)Oc1ccc(cc1F)I 7a_100011356965_100000210206 [0,2,0,0,0,0|2,0,0]=4 7543 B12R1.233 CC(C)Oc1ccc(cc1F)N 34a_100011220035_100000210206 [0,2,0,0,0,0|2,0,0]=4 7544 B12R1.233 CC(C)Oc1ccc(cc1F)N 7a_100011220035_100000210206 [0,2,0,0,0,0|2,0,0]=4 7545 B12R1.233 CC(C)Oc1ccc(cc1F)O 271570a_203496583355_100009811877 [0,2,0,0,0,0|2,0,0]=4 7546 B12R1.233 CC(C)Oc1ccc(cc1I)Br 34a_100012355227_100000210206 [0,2,0,0,0,0|2,0,0]=4 7547 B12R1.233 CC(C)Oc1ccc(cc1I)Br 7a_100012355227_100000210206 [0,2,0,0,0,0|2,0,0]=4 7548 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100000210206 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000210206 [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.233 CC(C)Oc1ccc(cc1I)F 34a_100012355409_100000210206 [0,2,0,0,0,0|2,0,0]=4 7551 B12R1.233 CC(C)Oc1ccc(cc1I)F 7a_100012355409_100000210206 [0,2,0,0,0,0|2,0,0]=4 7552 B12R1.233 CC(C)Oc1ccc(cc1I)I 7a_100010001573_100000210206 [0,2,0,0,0,0|2,0,0]=4 7553 B12R1.233 CC(C)Oc1ccc(cc1N)Br 34a_100000752626_100000210206 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.233 CC(C)Oc1ccc(cc1N)Br 7a_100000752626_100000210206 [0,2,0,0,0,0|2,0,0]=4 7555 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100000210206 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000210206 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.233 CC(C)Oc1ccc(cc1N)F 34a_100000759472_100000210206 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.233 CC(C)Oc1ccc(cc1N)F 7a_100000759472_100000210206 [0,2,0,0,0,0|2,0,0]=4 7559 B12R1.233 CC(C)Oc1ccc(cc1N)I 34a_100000753495_100000210206 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.233 CC(C)Oc1ccc(cc1N)I 7a_100000753495_100000210206 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.233 CC(C)Oc1ccc(cc1N)N 34a_100000725306_100000210206 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.233 CC(C)Oc1ccc(cc1N)O 271570a_203496583355_100000690130 [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.233 CC(C)Oc1ccc(cc1O)F 271570a_203496583355_100000171696 [0,2,0,0,0,0|2,0,0]=4 7564 B12R1.233 CC(C)Oc1ccc(cc1O)N 271570a_203496583355_200000706018 [0,2,0,0,0,0|2,0,0]=4 7565 B12R1.233 CC(C)Oc1ncc(cc1Br)Br 34a_100000701035_100000210206 [0,2,0,0,0,0|1,0,0]=3 7566 B12R1.233 CC(C)Oc1ncc(cc1Cl)Br 34a_100012339560_100000210206 [0,2,0,0,0,0|1,0,0]=3 7567 B12R1.233 CC(C)Oc1ncc(cc1Cl)F 34a_100009847679_100000210206 [0,2,0,0,0,0|1,0,0]=3 7568 B12R1.233 CC(C)Oc1ncc(cc1F)Cl 34a_100011998252_100000210206 [0,2,0,0,0,0|1,0,0]=3 7569 B12R1.233 CC(C)Oc1ncc(cc1F)F 34a_100012025737_100000210206 [0,2,0,0,0,0|1,0,0]=3 7570 B12R1.233 CC(C)Oc1ncc(cc1N)Br 34a_100000743729_100000210206 [0,2,0,0,0,0|1,0,0]=3 7571 B12R1.233 CC(C)Oc1ncc(cc1N)Cl 34a_100011998249_100000210206 [0,2,0,0,0,0|1,0,0]=3 7572 B12R1.233 CC(C)Oc1ncc(cc1O)Br 271570a_203496583355_200010177600 [0,2,0,0,0,0|1,0,0]=3 7573 B12R1.233 CC(C)Oc1ncc(nc1Cl)Br 34a_100010734560_100000210206 [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.233 CC(C)Sc1ccc(c[n+]1[O-])F 62a_100000210206_100009817261 [0,2,0,0,0,0|1,0,1]=4 7575 B12R1.233 CC(C)Sc1ccc(c[n+]1[O-])F 62a_100009817261_100000210206 [0,2,0,0,0,0|1,0,1]=4 7576 B12R1.233 CC(C)Sc1ccc(cc1Br)Br 62a_100000210206_100011484698 [0,2,0,0,0,0|2,0,0]=4 7577 B12R1.233 CC(C)Sc1ccc(cc1Br)Br 62a_100011484698_100000210206 [0,2,0,0,0,0|2,0,0]=4 7578 B12R1.233 CC(C)Sc1ccc(cc1Br)Cl 62a_100000210206_100011219703 [0,2,0,0,0,0|2,0,0]=4 7579 B12R1.233 CC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100000210206 [0,2,0,0,0,0|2,0,0]=4 7580 B12R1.233 CC(C)Sc1ccc(cc1Br)F 62a_100000210206_100011217111 [0,2,0,0,0,0|2,0,0]=4 7581 B12R1.233 CC(C)Sc1ccc(cc1Br)F 62a_100011217111_100000210206 [0,2,0,0,0,0|2,0,0]=4 7582 B12R1.233 CC(C)Sc1ccc(cc1Br)N 62a_100000210206_100000750458 [0,2,0,0,0,0|2,0,0]=4 7583 B12R1.233 CC(C)Sc1ccc(cc1Br)N 62a_100000750458_100000210206 [0,2,0,0,0,0|2,0,0]=4 7584 B12R1.233 CC(C)Sc1ccc(cc1Br)O 62a_100000210206_100000701344 [0,2,0,0,0,0|2,0,0]=4 7585 B12R1.233 CC(C)Sc1ccc(cc1Br)O 62a_100000701344_100000210206 [0,2,0,0,0,0|2,0,0]=4 7586 B12R1.233 CC(C)Sc1ccc(cc1Cl)Br 62a_100000210206_100011216062 [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.233 CC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100000210206 [0,2,0,0,0,0|2,0,0]=4 7588 B12R1.233 CC(C)Sc1ccc(cc1Cl)Cl 62a_100000210206_100000699841 [0,2,0,0,0,0|2,0,0]=4 7589 B12R1.233 CC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000210206 [0,2,0,0,0,0|2,0,0]=4 7590 B12R1.233 CC(C)Sc1ccc(cc1Cl)F 62a_100000210206_100000733362 [0,2,0,0,0,0|2,0,0]=4 7591 B12R1.233 CC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100000210206 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.233 CC(C)Sc1ccc(cc1Cl)N 62a_100000210206_100000761885 [0,2,0,0,0,0|2,0,0]=4 7593 B12R1.233 CC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100000210206 [0,2,0,0,0,0|2,0,0]=4 7594 B12R1.233 CC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000210206 [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.233 CC(C)Sc1ccc(cc1Cl)O 62a_100000210206_100000047559 [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.233 CC(C)Sc1ccc(cc1F)Br 62a_100000210206_100009814013 [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.233 CC(C)Sc1ccc(cc1F)Br 62a_100009814013_100000210206 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.233 CC(C)Sc1ccc(cc1F)Cl 62a_100000210206_100011216042 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.233 CC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100000210206 [0,2,0,0,0,0|2,0,0]=4 7600 B12R1.233 CC(C)Sc1ccc(cc1F)F 62a_100000210206_100000750030 [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.233 CC(C)Sc1ccc(cc1F)F 62a_100000750030_100000210206 [0,2,0,0,0,0|2,0,0]=4 7602 B12R1.233 CC(C)Sc1ccc(cc1F)N 62a_100000210206_100011356925 [0,2,0,0,0,0|2,0,0]=4 7603 B12R1.233 CC(C)Sc1ccc(cc1F)N 62a_100011356925_100000210206 [0,2,0,0,0,0|2,0,0]=4 7604 B12R1.233 CC(C)Sc1ccc(cc1F)O 62a_100000210206_100000755031 [0,2,0,0,0,0|2,0,0]=4 7605 B12R1.233 CC(C)Sc1ccc(cc1F)O 62a_100000755031_100000210206 [0,2,0,0,0,0|2,0,0]=4 7606 B12R1.233 CC(C)Sc1ccc(cc1N)Br 62a_100000210206_100000743836 [0,2,0,0,0,0|2,0,0]=4 7607 B12R1.233 CC(C)Sc1ccc(cc1N)Br 62a_100000743836_100000210206 [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.233 CC(C)Sc1ccc(cc1N)Cl 62a_100000210206_100000761886 [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.233 CC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100000210206 [0,2,0,0,0,0|2,0,0]=4 7610 B12R1.233 CC(C)Sc1ccc(cc1N)F 62a_100000210206_100000687223 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.233 CC(C)Sc1ccc(cc1N)F 62a_100000687223_100000210206 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.233 CC(C)Sc1ccc(cc1N)N 62a_100000210206_200012175722 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.233 CC(C)Sc1ccc(cc1N)N 62a_200012175722_100000210206 [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.233 CC(C)Sc1ccc(cc1N)O 62a_100000210206_100011999798 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.233 CC(C)Sc1ccc(cc1N)O 62a_100011999798_100000210206 [0,2,0,0,0,0|2,0,0]=4 7616 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100000210206_100012344904 [0,2,0,0,0,0|2,0,0]=4 7617 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100012344904_100000210206 [0,2,0,0,0,0|2,0,0]=4 7618 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000210206 [0,2,0,0,0,0|2,0,0]=4 7619 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000210206_100000050036 [0,2,0,0,0,0|2,0,0]=4 7620 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000210206_100000690578 [0,2,0,0,0,0|2,0,0]=4 7621 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000690578_100000210206 [0,2,0,0,0,0|2,0,0]=4 7622 B12R1.233 CC(C)Sc1ccc(cc1O)O 62a_100000210206_100009813921 [0,2,0,0,0,0|2,0,0]=4 7623 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100000210206_100012154958 [0,2,0,0,0,0|1,0,0]=3 7624 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100012154958_100000210206 [0,2,0,0,0,0|1,0,0]=3 7625 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100000210206_100012348576 [0,2,0,0,0,0|1,0,0]=3 7626 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100012348576_100000210206 [0,2,0,0,0,0|1,0,0]=3 7627 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100000210206_100012348686 [0,2,0,0,0,0|1,0,0]=3 7628 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100012348686_100000210206 [0,2,0,0,0,0|1,0,0]=3 7629 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100000210206_100011219543 [0,2,0,0,0,0|1,0,0]=3 7630 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100011219543_100000210206 [0,2,0,0,0,0|1,0,0]=3 7631 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100000210206_100010280766 [0,2,0,0,0,0|1,0,0]=3 7632 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100010280766_100000210206 [0,2,0,0,0,0|1,0,0]=3 7633 B12R1.233 CC(C)Sc1ncc(cc1F)O 62a_100000210206_100000063512 [0,2,0,0,0,0|1,0,0]=3 7634 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100000210206_100010090555 [0,2,0,0,0,0|1,0,0]=3 7635 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100010090555_100000210206 [0,2,0,0,0,0|1,0,0]=3 7636 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100000210206_100009817643 [0,2,0,0,0,0|1,0,0]=3 7637 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100009817643_100000210206 [0,2,0,0,0,0|1,0,0]=3 7638 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_100000210206_200000093520 [0,2,0,0,0,0|1,0,0]=3 7639 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_200000093520_100000210206 [0,2,0,0,0,0|1,0,0]=3 7640 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100000210206_100010210634 [0,2,0,0,0,0|1,0,0]=3 7641 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100010210634_100000210206 [0,2,0,0,0,0|1,0,0]=3 7642 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100000210206_100010233512 [0,2,0,0,0,0|1,0,0]=3 7643 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100010233512_100000210206 [0,2,0,0,0,0|1,0,0]=3 7644 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100000210206_100000079967 [0,2,0,0,0,0|1,0,0]=3 7645 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100009820119_100000210206 [0,2,0,0,0,0|1,0,0]=3 7646 B12R1.233 CC(C)Sc1ncc(nc1Br)Br 62a_100000210206_100010235571 [0,2,0,0,0,0|2,0,0]=4 7647 B12R1.233 CC(C)Sc1ncc(nc1Br)Br 62a_100010235571_100000210206 [0,2,0,0,0,0|2,0,0]=4 7648 B12R1.233 CC(C)Sc1ncc(nc1Cl)Cl 62a_100000210206_100010173851 [0,2,0,0,0,0|2,0,0]=4 7649 B12R1.233 CC(C)Sc1ncc(nc1Cl)N 62a_100000210206_100010116657 [0,2,0,0,0,0|2,0,0]=4 7650 B12R1.233 CC(C)Sc1ncc(nc1Cl)N 62a_100010116657_100000210206 [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 2230a_100102631434_200012351560 [0,2,0,0,0,0|2,0,0]=4 7652 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 269982a_100102631434_200012351560 [0,2,0,0,0,0|2,0,0]=4 7653 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 270004a_100102631434_100012351556 [0,2,0,0,0,0|2,0,0]=4 7654 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 2230a_100102631434_100000755608 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 269982a_100102631434_100000755608 [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 270004a_100102631434_100000687667 [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.233 CN(C)Cc1ccc(cc1Br)F 2230a_100102631434_100000243222 [0,2,0,0,0,0|2,0,0]=4 7658 B12R1.233 CN(C)Cc1ccc(cc1Br)F 2230a_200011192132_200000210301 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.233 CN(C)Cc1ccc(cc1Br)F 269982a_100102631434_100000243222 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.233 CN(C)Cc1ccc(cc1Br)F 269982a_200011192132_200000210301 [0,2,0,0,0,0|2,0,0]=4 7661 B12R1.233 CN(C)Cc1ccc(cc1Br)F 270004a_100102631434_100000685661 [0,2,0,0,0,0|2,0,0]=4 7662 B12R1.233 CN(C)Cc1ccc(cc1Br)F 34a_200011192132_200000210301 [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.233 CN(C)Cc1ccc(cc1Br)I 2230a_100102631434_100010146610 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.233 CN(C)Cc1ccc(cc1Br)I 269982a_100102631434_100010146610 [0,2,0,0,0,0|2,0,0]=4 7665 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 2230a_100102631434_100011740631 [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 269982a_100102631434_100011740631 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 270004a_100102631434_100000764164 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 2230a_100015189987_200000210301 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 2230a_100102631434_100000188473 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 269982a_100015189987_200000210301 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 269982a_100102631434_100000188473 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 270004a_100102631434_100000188887 [0,2,0,0,0,0|2,0,0]=4 7673 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 34a_100015189987_200000210301 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 2230a_100102631434_100011216360 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 269982a_100102631434_100011216360 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 270004a_100102631434_100000752949 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.233 CN(C)Cc1ccc(cc1F)Br 2230a_100102631434_100000211606 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.233 CN(C)Cc1ccc(cc1F)Br 269982a_100102631434_100000211606 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.233 CN(C)Cc1ccc(cc1F)Br 270004a_100102631434_100000211676 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 2230a_100102631434_100000709361 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 269982a_100102631434_100000709361 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 270004a_100102631434_100000697372 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.233 CN(C)Cc1ccc(cc1F)F 2230a_100000207661_200000210301 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.233 CN(C)Cc1ccc(cc1F)F 2230a_100102631434_100000748237 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.233 CN(C)Cc1ccc(cc1F)F 269982a_100000207661_200000210301 [0,2,0,0,0,0|2,0,0]=4 7686 B12R1.233 CN(C)Cc1ccc(cc1F)F 269982a_100102631434_100000748237 [0,2,0,0,0,0|2,0,0]=4 7687 B12R1.233 CN(C)Cc1ccc(cc1F)F 270004a_100102631434_100000211964 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.233 CN(C)Cc1ccc(cc1F)F 34a_100000207661_200000210301 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.233 CN(C)Cc1ccc(cc1F)I 2230a_100102631434_100010244991 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.233 CN(C)Cc1ccc(cc1F)I 269982a_100102631434_100010244991 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.233 CN(C)Cc1ccc(cc1F)O 271570a_203496583355_100000174744 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.233 CN(C)Cc1ccc(cc1I)Br 2230a_100102631434_100010146615 [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.233 CN(C)Cc1ccc(cc1I)Br 269982a_100102631434_100010146615 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.233 CN(C)Cc1ccc(cc1I)Br 270004a_100102631434_100010146562 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.233 CN(C)Cc1ccc(cc1I)Cl 2230a_100102631434_100010254388 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.233 CN(C)Cc1ccc(cc1I)Cl 269982a_100102631434_100010254388 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.233 CN(C)Cc1ccc(cc1I)F 2230a_100102631434_100012354799 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.233 CN(C)Cc1ccc(cc1I)F 269982a_100102631434_100012354799 [0,2,0,0,0,0|2,0,0]=4 7699 B12R1.233 CN(C)Cc1ncc(cc1Br)Br 270004a_100102631434_100000688198 [0,2,0,0,0,0|1,0,0]=3 7700 B12R1.233 CN(C)Cc1ncc(cc1Br)Cl 270004a_100102631434_100010064872 [0,2,0,0,0,0|1,0,0]=3 7701 B12R1.233 CN(C)Cc1ncc(cc1Cl)Br 270004a_100102631434_100009814801 [0,2,0,0,0,0|1,0,0]=3 7702 B12R1.233 CN(C)Cc1ncc(cc1Cl)Cl 270004a_100102631434_100011361609 [0,2,0,0,0,0|1,0,0]=3 7703 B12R1.233 CN(C)Cc1ncc(cc1F)Br 270004a_100102631434_100010180630 [0,2,0,0,0,0|1,0,0]=3 7704 B12R1.233 CN(C)Cc1ncc(cc1F)Cl 2230a_100102631434_200009879301 [0,2,0,0,0,0|1,0,0]=3 7705 B12R1.233 CN(C)Cc1ncc(cc1F)Cl 269982a_100102631434_200009879301 [0,2,0,0,0,0|1,0,0]=3 7706 B12R1.233 CN(C)Cc1ncc(cc1F)Cl 270004a_100102631434_100009858488 [0,2,0,0,0,0|1,0,0]=3 7707 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 2230a_200011192132_200025704644 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 269982a_200011192132_200025704644 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 34a_200011192132_200025704644 [0,2,0,0,0,0|2,0,0]=4 7710 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 2230a_100015189987_200025704644 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 269982a_100015189987_200025704644 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 34a_100015189987_200025704644 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 2230a_100000207661_200025704644 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 269982a_100000207661_200025704644 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 34a_100000207661_200025704644 [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.233 Cc1cc(=O)[nH]nc1SC(C)C 62a_100000210206_100000081757 [0,2,0,0,0,0|2,0,0]=4 7717 B12R1.233 Cc1cc(ccc1CN(C)C)Br 2230a_100102631434_100000708836 [0,2,0,0,0,0|2,0,0]=4 7718 B12R1.233 Cc1cc(ccc1CN(C)C)Br 269982a_100102631434_100000708836 [0,2,0,0,0,0|2,0,0]=4 7719 B12R1.233 Cc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000687586 [0,2,0,0,0,0|2,0,0]=4 7720 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 2230a_100102631434_100012361307 [0,2,0,0,0,0|2,0,0]=4 7721 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 269982a_100102631434_100012361307 [0,2,0,0,0,0|2,0,0]=4 7722 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 270004a_100102631434_100000766358 [0,2,0,0,0,0|2,0,0]=4 7723 B12R1.233 Cc1cc(ccc1CN(C)C)F 2230a_100102631434_100000700533 [0,2,0,0,0,0|2,0,0]=4 7724 B12R1.233 Cc1cc(ccc1CN(C)C)F 269982a_100102631434_100000700533 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.233 Cc1cc(ccc1CN(C)C)F 270004a_100102631434_100000745986 [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.233 Cc1cc(ccc1NC(C)C)Br 34a_100000211769_100000210206 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.233 Cc1cc(ccc1NC(C)C)Br 7a_100000211769_100000210206 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 34a_100000210418_100000210206 [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 7a_100000210418_100000210206 [0,2,0,0,0,0|2,0,0]=4 7730 B12R1.233 Cc1cc(ccc1NC(C)C)F 34a_100000211637_100000210206 [0,2,0,0,0,0|2,0,0]=4 7731 B12R1.233 Cc1cc(ccc1NC(C)C)F 7a_100000211637_100000210206 [0,2,0,0,0,0|2,0,0]=4 7732 B12R1.233 Cc1cc(ccc1NC(C)C)I 34a_100000184554_100000210206 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.233 Cc1cc(ccc1NC(C)C)I 7a_100000184554_100000210206 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.233 Cc1cc(ccc1NC(C)C)O 34a_100000756630_100000210206 [0,2,0,0,0,0|2,0,0]=4 7735 B12R1.233 Cc1cc(ccc1OC(C)C)Br 34a_100000186361_100000210206 [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.233 Cc1cc(ccc1OC(C)C)Br 7a_100000186361_100000210206 [0,2,0,0,0,0|2,0,0]=4 7737 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 34a_100000211091_100000210206 [0,2,0,0,0,0|2,0,0]=4 7738 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 7a_100000211091_100000210206 [0,2,0,0,0,0|2,0,0]=4 7739 B12R1.233 Cc1cc(ccc1OC(C)C)F 34a_100000764316_100000210206 [0,2,0,0,0,0|2,0,0]=4 7740 B12R1.233 Cc1cc(ccc1OC(C)C)F 7a_100000764316_100000210206 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.233 Cc1cc(ccc1OC(C)C)I 34a_100011218673_100000210206 [0,2,0,0,0,0|2,0,0]=4 7742 B12R1.233 Cc1cc(ccc1OC(C)C)I 7a_100011218673_100000210206 [0,2,0,0,0,0|2,0,0]=4 7743 B12R1.233 Cc1cc(ccc1OC(C)C)N 34a_100011218179_100000210206 [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.233 Cc1cc(ccc1OC(C)C)N 7a_100011218179_100000210206 [0,2,0,0,0,0|2,0,0]=4 7745 B12R1.233 Cc1cc(ccc1OC(C)C)O 271570a_203496583355_200011825982 [0,2,0,0,0,0|2,0,0]=4 7746 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000210206_100000701812 [0,2,0,0,0,0|2,0,0]=4 7747 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000701812_100000210206 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100000210206_100011219607 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100011219607_100000210206 [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100000210206_100011205405 [0,2,0,0,0,0|2,0,0]=4 7751 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100011205405_100000210206 [0,2,0,0,0,0|2,0,0]=4 7752 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210206_100000210723 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210723_100000210206 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.233 Cc1cc(ccc1SC(C)C)O 62a_100000210206_100000690111 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.233 Cc1cc(cnc1CN(C)C)Br 270004a_100102631434_100010185443 [0,2,0,0,0,0|1,0,0]=3 7756 B12R1.233 Cc1cc(cnc1CN(C)C)Cl 270004a_100102631434_200009887756 [0,2,0,0,0,0|1,0,0]=3 7757 B12R1.233 Cc1cc(cnc1OC(C)C)Br 34a_100000685391_100000210206 [0,2,0,0,0,0|1,0,0]=3 7758 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100000210206_100012353652 [0,2,0,0,0,0|1,0,0]=3 7759 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100012353652_100000210206 [0,2,0,0,0,0|1,0,0]=3 7760 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100000210206_100009817009 [0,2,0,0,0,0|1,0,0]=3 7761 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100009817009_100000210206 [0,2,0,0,0,0|1,0,0]=3 7762 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000210206_100000761747 [0,2,0,0,0,0|1,0,0]=3 7763 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000761747_100000210206 [0,2,0,0,0,0|1,0,0]=3 7764 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100000210206_100012000486 [0,2,0,0,0,0|1,0,0]=3 7765 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100012000486_100000210206 [0,2,0,0,0,0|1,0,0]=3 7766 B12R1.233 Cc1cc(nnc1SC(C)C)N 62a_100000123434_100000210206 [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.233 Cc1cc(nnc1SC(C)C)N 62a_100000210206_100000123434 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.233 Cc1ccc([n+](c1)[O-])SC(C)C 62a_100000210206_100009819918 [0,2,0,0,0,0|1,0,1]=4 7769 B12R1.233 Cc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000692596 [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.233 Cc1ccc(c(c1)Br)NC(C)C 34a_100000210942_100000210206 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 34a_100000210800_100000210206 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 7a_100000210800_100000210206 [0,2,0,0,0,0|2,0,0]=4 7773 B12R1.233 Cc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100009813563 [0,2,0,0,0,0|2,0,0]=4 7774 B12R1.233 Cc1ccc(c(c1)Br)SC(C)C 62a_100009813563_100000210206 [0,2,0,0,0,0|2,0,0]=4 7775 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100025771030_200000210301 [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100102631434_100011219618 [0,2,0,0,0,0|2,0,0]=4 7777 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100025771030_200000210301 [0,2,0,0,0,0|2,0,0]=4 7778 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100102631434_100011219618 [0,2,0,0,0,0|2,0,0]=4 7779 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100000211342 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 34a_100025771030_200000210301 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 2230a_100025771030_200025704644 [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 269982a_100025771030_200025704644 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 34a_100025771030_200025704644 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 34a_100000736561_100000210206 [0,2,0,0,0,0|2,0,0]=4 7785 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 7a_100000736561_100000210206 [0,2,0,0,0,0|2,0,0]=4 7786 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 34a_100000211776_100000210206 [0,2,0,0,0,0|2,0,0]=4 7787 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 7a_100000211776_100000210206 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100000210206_100011217332 [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100011217332_100000210206 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_100012349684 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_100012349684 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100011935181 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.233 Cc1ccc(c(c1)Cl)NC(C)C 34a_100000210522_100000210206 [0,2,0,0,0,0|2,0,0]=4 7794 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 34a_100000749699_100000210206 [0,2,0,0,0,0|2,0,0]=4 7795 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 7a_100000749699_100000210206 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.233 Cc1ccc(c(c1)Cl)SC(C)C 62a_100000210206_100011263221 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.233 Cc1ccc(c(c1)Cl)SC(C)C 62a_100011263221_100000210206 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011217900 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011217900 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011217368 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.233 Cc1ccc(c(c1)F)NC(C)C 34a_100000211023_100000210206 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 34a_100011216688_100000210206 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 7a_100011216688_100000210206 [0,2,0,0,0,0|2,0,0]=4 7804 B12R1.233 Cc1ccc(c(c1)F)SC(C)C 62a_100000210206_100011216119 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.233 Cc1ccc(c(c1)F)SC(C)C 62a_100011216119_100000210206 [0,2,0,0,0,0|2,0,0]=4 7806 B12R1.233 Cc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010150104 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.233 Cc1ccc(c(c1)I)NC(C)C 34a_100011356834_100000210206 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 34a_100000765521_100000210206 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 7a_100000765521_100000210206 [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 34a_100011215204_100000210206 [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 7a_100011215204_100000210206 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.233 Cc1ccc(c(c1)N)SC(C)C 62a_100000210206_100011216686 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.233 Cc1ccc(c(c1)N)SC(C)C 62a_100011216686_100000210206 [0,2,0,0,0,0|2,0,0]=4 7814 B12R1.233 Cc1ccc(c(c1)O)NC(C)C 34a_100000211527_100000210206 [0,2,0,0,0,0|2,0,0]=4 7815 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100000210206_100012002257 [0,2,0,0,0,0|2,0,0]=4 7816 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100012002257_100000210206 [0,2,0,0,0,0|2,0,0]=4 7817 B12R1.233 Cc1cnc(c(c1)Br)OC(C)C 34a_100000719714_100000210206 [0,2,0,0,0,0|1,0,0]=3 7818 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 2230a_100102631434_100016990036 [0,2,0,0,0,0|1,0,0]=3 7819 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 269982a_100102631434_100016990036 [0,2,0,0,0,0|1,0,0]=3 7820 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100000210206_100009864548 [0,2,0,0,0,0|1,0,0]=3 7821 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100009864548_100000210206 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.233 Cc1cnc(c(c1)F)CN(C)C 270004a_100102631434_100009845184 [0,2,0,0,0,0|1,0,0]=3 7823 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100000210206_100009819633 [0,2,0,0,0,0|1,0,0]=3 7824 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100009819633_100000210206 [0,2,0,0,0,0|1,0,0]=3 7825 B12R1.233 Cc1cnc(c(c1)N)OC(C)C 34a_100012000488_100000210206 [0,2,0,0,0,0|1,0,0]=3 7826 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000210206_100000733613 [0,2,0,0,0,0|1,0,0]=3 7827 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000733613_100000210206 [0,2,0,0,0,0|1,0,0]=3 7828 B12R1.233 Cc1cnc(c(c1)O)OC(C)C 271570a_203496583355_200012348018 [0,2,0,0,0,0|1,0,0]=3 7829 B12R1.233 Cc1cnc(c(c1)O)SC(C)C 62a_100000210206_100012000487 [0,2,0,0,0,0|1,0,0]=3 7830 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000065684_100000210206 [0,2,0,0,0,0|2,0,0]=4 7831 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000210206_100000065684 [0,2,0,0,0,0|2,0,0]=4 7832 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100000210206_100009818570 [0,2,0,0,0,0|2,0,0]=4 7833 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100009818570_100000210206 [0,2,0,0,0,0|2,0,0]=4 7834 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,2,0,0,0,0|1,0,1]=4 7835 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,2,0,0,0,0|1,0,1]=4 7836 B12R1.34 CC(C(=O)CF)c1ccccn1 1458a_100000722050_100015361967 [0,2,0,0,0,0|1,0,1]=4 7837 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.34 CC(CO)N(C)c1cccnn1 27a_100000693034_100016991348 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.34 CC(CO)N(C)c1ccncn1 27a_100000693034_100000703185 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.34 CC(CO)N(C)c1cnccn1 27a_100000693034_100000211759 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.34 CC(CO)N(C)c1ncccn1 27a_100000693034_100000211032 [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,2,0,0,0,0|1,0,1]=4 7844 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,2,0,0,0,0|1,0,1]=4 7845 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,2,0,0,0,0|2,0,0]=4 7846 B12R1.34 CC(c1ccccn1)N(C)CF 269982a_100000231138_100015361967 [0,2,0,0,0,0|1,0,0]=3 7847 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,2,0,0,0,0|1,0,1]=4 7848 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,2,0,0,0,0|1,0,1]=4 7849 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.34 CCC(C)N(C)c1cccnn1 27a_100000741768_100016991348 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.34 CCC(C)N(C)c1ccncn1 27a_100000741768_100000703185 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.34 CCC(C)N(C)c1cnccn1 27a_100000741768_100000211759 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.34 CCC(C)N(C)c1ncccn1 27a_100000741768_100000211032 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [0,2,0,0,0,0|1,0,0]=3 7861 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [0,2,0,0,0,0|1,0,0]=3 7862 B12R1.34 CCN(C)C(C)c1cnccn1 2230a_100000225621_200000703233 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.34 CCN(C)C(C)c1cnccn1 269982a_100000225621_200000703233 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,2,0,0,0,0|1,0,1]=4 7865 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,2,0,0,0,0|1,0,1]=4 7866 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,2,0,0,0,0|1,0,1]=4 7867 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,2,0,0,0,0|1,0,1]=4 7868 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,2,0,0,0,0|1,0,1]=4 7869 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,2,0,0,0,0|1,0,1]=4 7870 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,2,0,0,0,0|2,0,0]=4 7871 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,2,0,0,0,0|1,0,0]=3 7872 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,2,0,0,0,0|1,0,1]=4 7873 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,2,0,0,0,0|1,0,1]=4 7874 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,2,0,0,0,0|1,0,0]=3 7876 B12R1.124 CC(=C(C)c1ncccc1Br)C 271570a_200000049429_100000696092 [0,2,0,0,0,0|0,0,2]=4 7877 B12R1.124 CC(=C(C)c1ncccc1C)C 271570a_200000049429_100000751373 [0,2,0,0,0,0|0,0,2]=4 7878 B12R1.124 CC(=C(C)c1ncccc1Cl)C 271570a_200000049429_100011356963 [0,2,0,0,0,0|0,0,2]=4 7879 B12R1.124 CC(=C(C)c1ncccc1F)C 271570a_200000049429_100000685392 [0,2,0,0,0,0|0,0,2]=4 7880 B12R1.124 CC(=C(C)c1ncccc1N)C 271570a_200000049429_100000688686 [0,2,0,0,0,0|0,0,2]=4 7881 B12R1.124 CC(=C(C)c1ncccc1O)C 271570a_200000049429_100000034122 [0,2,0,0,0,0|0,0,2]=4 7882 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,2,0,0,0,0|1,0,1]=4 7883 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,2,0,0,0,0|1,0,1]=4 7884 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,2,0,0,0,0|1,0,1]=4 7885 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,2,0,0,0,0|1,0,1]=4 7886 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,2,0,0,0,0|1,0,1]=4 7887 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,2,0,0,0,0|1,0,1]=4 7888 B12R1.124 CC(C)N(C)c1ccccc1Br 2230a_100020606079_100000210206 [0,2,0,0,0,0|2,0,0]=4 7889 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100000219599_200000210301 [0,2,0,0,0,0|2,0,0]=4 7890 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100020606079_100000210206 [0,2,0,0,0,0|2,0,0]=4 7891 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100000219599_200000210301 [0,2,0,0,0,0|2,0,0]=4 7892 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100020606079_100000210206 [0,2,0,0,0,0|2,0,0]=4 7893 B12R1.124 CC(C)N(C)c1ccccc1Br 7a_100000219599_200000210301 [0,2,0,0,0,0|2,0,0]=4 7894 B12R1.124 CC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000210206 [0,2,0,0,0,0|2,0,0]=4 7895 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000210206 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7897 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219374_100000210206 [0,2,0,0,0,0|2,0,0]=4 7898 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7899 B12R1.124 CC(C)N(C)c1ccccc1Cl 7a_100000219376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7900 B12R1.124 CC(C)N(C)c1ccccc1F 2230a_100000220357_100000210206 [0,2,0,0,0,0|2,0,0]=4 7901 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220357_100000210206 [0,2,0,0,0,0|2,0,0]=4 7902 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220358_200000210301 [0,2,0,0,0,0|2,0,0]=4 7903 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220357_100000210206 [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220358_200000210301 [0,2,0,0,0,0|2,0,0]=4 7905 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220357_100000210206 [0,2,0,0,0,0|2,0,0]=4 7906 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220358_200000210301 [0,2,0,0,0,0|2,0,0]=4 7907 B12R1.124 CC(C)N(C)c1ccccc1F 7a_100000220358_200000210301 [0,2,0,0,0,0|2,0,0]=4 7908 B12R1.124 CC(C)N(C)c1ccccc1O 269982a_100000033821_100000210206 [0,2,0,0,0,0|2,0,0]=4 7909 B12R1.124 CC(C)N(C)c1ncccc1Br 27a_200000211004_100000696092 [0,2,0,0,0,0|1,0,0]=3 7910 B12R1.124 CC(C)N(C)c1nccnc1F 27a_200000211004_200010125657 [0,2,0,0,0,0|2,0,0]=4 7911 B12R1.124 CC(C)N(C)c1ncncc1F 27a_200000211004_100000069762 [0,2,0,0,0,0|2,0,0]=4 7912 B12R1.124 CC(C)N(C)c1ncncc1N 27a_200000211004_100000709731 [0,2,0,0,0,0|2,0,0]=4 7913 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 269982a_100000219599_200025704644 [0,2,0,0,0,0|2,0,0]=4 7914 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 34a_100000219599_200025704644 [0,2,0,0,0,0|2,0,0]=4 7915 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 7a_100000219599_200025704644 [0,2,0,0,0,0|2,0,0]=4 7916 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 269982a_100000219376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7917 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 34a_100000219376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7918 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 7a_100000219376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7919 B12R1.124 CC(C)N([13CH3])c1ccccc1F 269982a_100000220358_200025704644 [0,2,0,0,0,0|2,0,0]=4 7920 B12R1.124 CC(C)N([13CH3])c1ccccc1F 34a_100000220358_200025704644 [0,2,0,0,0,0|2,0,0]=4 7921 B12R1.124 CC(C)N([13CH3])c1ccccc1F 38a_100000220358_200025704644 [0,2,0,0,0,0|2,0,0]=4 7922 B12R1.124 CC(C)N([13CH3])c1ccccc1F 7a_100000220358_200025704644 [0,2,0,0,0,0|2,0,0]=4 7923 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [0,2,0,0,0,0|2,0,0]=4 7924 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [0,2,0,0,0,0|2,0,0]=4 7925 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [0,2,0,0,0,0|2,0,0]=4 7926 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [0,2,0,0,0,0|2,0,0]=4 7927 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [0,2,0,0,0,0|2,0,0]=4 7928 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [0,2,0,0,0,0|2,0,0]=4 7929 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [0,2,0,0,0,0|2,0,0]=4 7930 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [0,2,0,0,0,0|2,0,0]=4 7931 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [0,2,0,0,0,0|2,0,0]=4 7932 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [0,2,0,0,0,0|2,0,0]=4 7933 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [0,2,0,0,0,0|2,0,0]=4 7934 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [0,2,0,0,0,0|2,0,0]=4 7936 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [0,2,0,0,0,0|2,0,0]=4 7937 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,2,0,0,0,0|1,0,1]=4 7938 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219699_100000210206 [0,2,0,0,0,0|2,0,0]=4 7939 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219700_200000210301 [0,2,0,0,0,0|2,0,0]=4 7940 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219699_100000210206 [0,2,0,0,0,0|2,0,0]=4 7941 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219700_200000210301 [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219699_100000210206 [0,2,0,0,0,0|2,0,0]=4 7943 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219700_200000210301 [0,2,0,0,0,0|2,0,0]=4 7944 B12R1.124 Cc1ccccc1N(C)C(C)C 7a_100000219700_200000210301 [0,2,0,0,0,0|2,0,0]=4 7945 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 2230a_100000219700_200025704644 [0,2,0,0,0,0|2,0,0]=4 7946 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 269982a_100000219700_200025704644 [0,2,0,0,0,0|2,0,0]=4 7947 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 34a_100000219700_200025704644 [0,2,0,0,0,0|2,0,0]=4 7948 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 7a_100000219700_200025704644 [0,2,0,0,0,0|2,0,0]=4 7949 B12R1.124 Cc1ccnnc1N(C)C(C)C 27a_200000211004_100000089043 [0,2,0,0,0,0|2,0,0]=4 7950 B12R1.124 Cc1cncnc1N(C)C(C)C 27a_200000211004_100011998708 [0,2,0,0,0,0|2,0,0]=4 7951 B12R1.124 Cc1nccnc1N(C)C(C)C 27a_200000211004_100011999405 [0,2,0,0,0,0|2,0,0]=4 7952 B12R1.225 CC(=C(C)c1cc(ccn1)C)C 271570a_200000049429_100000750283 [0,2,0,0,0,0|0,0,2]=4 7953 B12R1.225 CC(=C(C)c1cc(ccn1)Cl)C 271570a_200000049429_100010167805 [0,2,0,0,0,0|0,0,2]=4 7954 B12R1.225 CC(=C(C)c1cc(ccn1)F)C 271570a_200000049429_100009817058 [0,2,0,0,0,0|0,0,2]=4 7955 B12R1.225 CC(=C(C)c1cc(ccn1)N)C 271570a_200000049429_100009814236 [0,2,0,0,0,0|0,0,2]=4 7956 B12R1.225 CC(=C(C)c1cc(ccn1)O)C 271570a_200000049429_100000762945 [0,2,0,0,0,0|0,0,2]=4 7957 B12R1.225 CC(=C(C)c1cccc(n1)Br)C 271570a_200000049429_100000684672 [0,2,0,0,0,0|0,0,2]=4 7958 B12R1.225 CC(=C(C)c1cccc(n1)C)C 271570a_200000049429_100000742759 [0,2,0,0,0,0|0,0,2]=4 7959 B12R1.225 CC(=C(C)c1cccc(n1)F)C 271570a_200000049429_100009815982 [0,2,0,0,0,0|0,0,2]=4 7960 B12R1.225 CC(=C(C)c1cccc(n1)N)C 271570a_200000049429_100000740741 [0,2,0,0,0,0|0,0,2]=4 7961 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [0,2,0,0,0,0|1,0,1]=4 7962 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [0,2,0,0,0,0|1,0,1]=4 7963 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [0,2,0,0,0,0|1,0,1]=4 7964 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [0,2,0,0,0,0|1,0,1]=4 7965 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [0,2,0,0,0,0|1,0,1]=4 7966 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [0,2,0,0,0,0|1,0,1]=4 7967 B12R1.225 CC(C)N(C)c1c[n+](ccn1)[O-] 27a_200000211004_100009880115 [0,2,0,0,0,0|2,0,0]=4 7968 B12R1.225 CC(C)N(C)c1cc(ccn1)F 27a_200000211004_100000764206 [0,2,0,0,0,0|1,0,0]=3 7969 B12R1.225 CC(C)N(C)c1cc(ncn1)F 27a_200000211004_200009880791 [0,2,0,0,0,0|2,0,0]=4 7970 B12R1.225 CC(C)N(C)c1cc(ncn1)N 27a_200000211004_100000701291 [0,2,0,0,0,0|2,0,0]=4 7971 B12R1.225 CC(C)N(C)c1cc(ncn1)O 27a_200000211004_100000765262 [0,2,0,0,0,0|2,0,0]=4 7972 B12R1.225 CC(C)N(C)c1cc[nH]c(=O)n1 27a_200000211004_200000134032 [0,2,0,0,0,0|2,0,0]=4 7973 B12R1.225 CC(C)N(C)c1cccc(c1)Br 2230a_100000219648_100000210206 [0,2,0,0,0,0|2,0,0]=4 7974 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100000210206 [0,2,0,0,0,0|2,0,0]=4 7975 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219649_200000210301 [0,2,0,0,0,0|2,0,0]=4 7976 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219648_100000210206 [0,2,0,0,0,0|2,0,0]=4 7977 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219649_200000210301 [0,2,0,0,0,0|2,0,0]=4 7978 B12R1.225 CC(C)N(C)c1cccc(c1)Br 7a_100000219649_200000210301 [0,2,0,0,0,0|2,0,0]=4 7979 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100000210206 [0,2,0,0,0,0|2,0,0]=4 7980 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100000210206 [0,2,0,0,0,0|2,0,0]=4 7981 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 34a_100000220044_100000210206 [0,2,0,0,0,0|2,0,0]=4 7982 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100000220071_200000210301 [0,2,0,0,0,0|2,0,0]=4 7983 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100020633736_100000210206 [0,2,0,0,0,0|2,0,0]=4 7984 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100000220071_200000210301 [0,2,0,0,0,0|2,0,0]=4 7985 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100020633736_100000210206 [0,2,0,0,0,0|2,0,0]=4 7986 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100000220071_200000210301 [0,2,0,0,0,0|2,0,0]=4 7987 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100020633736_100000210206 [0,2,0,0,0,0|2,0,0]=4 7988 B12R1.225 CC(C)N(C)c1cccc(c1)F 7a_100000220071_200000210301 [0,2,0,0,0,0|2,0,0]=4 7989 B12R1.225 CC(C)N(C)c1cccc(c1)I 2230a_100000221217_100000210206 [0,2,0,0,0,0|2,0,0]=4 7990 B12R1.225 CC(C)N(C)c1cccc(c1)I 269982a_100000221217_100000210206 [0,2,0,0,0,0|2,0,0]=4 7991 B12R1.225 CC(C)N(C)c1cccc(c1)I 34a_100000221217_100000210206 [0,2,0,0,0,0|2,0,0]=4 7992 B12R1.225 CC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000210206 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.225 CC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000210206 [0,2,0,0,0,0|2,0,0]=4 7994 B12R1.225 CC(C)N(C)c1cccc(c1)O 34a_100000756613_100000210206 [0,2,0,0,0,0|2,0,0]=4 7995 B12R1.225 CC(C)N(C)c1cccc(n1)F 27a_200000211004_100009815982 [0,2,0,0,0,0|1,0,0]=3 7996 B12R1.225 CC(C)N(C)c1ccnc(n1)N 27a_200000211004_100000055538 [0,2,0,0,0,0|2,0,0]=4 7997 B12R1.225 CC(C)N(C)c1cncc(n1)Cl 27a_200000211004_100010892449 [0,2,0,0,0,0|2,0,0]=4 7998 B12R1.225 CC(C)N(C)c1cncc(n1)F 27a_200000211004_200009863489 [0,2,0,0,0,0|2,0,0]=4 7999 B12R1.225 CC(C)N(C)c1nccc(n1)N 27a_200000211004_100000757536 [0,2,0,0,0,0|2,0,0]=4 8000 B12R1.225 CC(C)N(C)c1nccc(n1)O 27a_200000211004_100011649813 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 269982a_100000219649_200025704644 [0,2,0,0,0,0|2,0,0]=4 8002 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 34a_100000219649_200025704644 [0,2,0,0,0,0|2,0,0]=4 8003 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 7a_100000219649_200025704644 [0,2,0,0,0,0|2,0,0]=4 8004 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 2230a_100000220071_200025704644 [0,2,0,0,0,0|2,0,0]=4 8005 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 269982a_100000220071_200025704644 [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 34a_100000220071_200025704644 [0,2,0,0,0,0|2,0,0]=4 8007 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 7a_100000220071_200025704644 [0,2,0,0,0,0|2,0,0]=4 8008 B12R1.225 CC(c1cc(ccn1)Br)N(C)C 270004a_100102631434_100000709912 [0,2,0,0,0,0|1,0,0]=3 8009 B12R1.225 CC(c1cc(ccn1)Cl)N(C)C 270004a_100102631434_100000099826 [0,2,0,0,0,0|1,0,0]=3 8010 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [0,2,0,0,0,0|2,0,0]=4 8011 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [0,2,0,0,0,0|2,0,0]=4 8012 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [0,2,0,0,0,0|2,0,0]=4 8013 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [0,2,0,0,0,0|2,0,0]=4 8014 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [0,2,0,0,0,0|2,0,0]=4 8015 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [0,2,0,0,0,0|2,0,0]=4 8016 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [0,2,0,0,0,0|2,0,0]=4 8017 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [0,2,0,0,0,0|2,0,0]=4 8018 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [0,2,0,0,0,0|2,0,0]=4 8019 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [0,2,0,0,0,0|2,0,0]=4 8020 B12R1.225 CN(C)C(=O)c1cc(ccn1)O 271570a_203496583355_200000198538 [0,2,0,0,0,0|1,0,1]=4 8021 B12R1.225 Cc1cc(ncn1)N(C)C(C)C 27a_200000211004_100000744208 [0,2,0,0,0,0|2,0,0]=4 8022 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,2,0,0,0,0|1,0,1]=4 8023 B12R1.225 Cc1cccc(c1)N(C)C(C)C 2230a_100000219674_100000210206 [0,2,0,0,0,0|2,0,0]=4 8024 B12R1.225 Cc1cccc(c1)N(C)C(C)C 269982a_100000219674_100000210206 [0,2,0,0,0,0|2,0,0]=4 8025 B12R1.225 Cc1cccc(c1)N(C)C(C)C 34a_100000219674_100000210206 [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.225 Cc1ccnc(c1)C(C)N(C)C 270004a_100102631434_100000728896 [0,2,0,0,0,0|1,0,0]=3 8027 B12R1.225 Cc1ccnc(n1)N(C)C(C)C 27a_200000211004_100000750684 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.225 Cc1cncc(n1)N(C)C(C)C 27a_200000211004_100000754123 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.225 Cc1cnnc(c1)N(C)C(C)C 27a_200000211004_100000070100 [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.225 Cc1nccc(n1)N(C)C(C)C 27a_200000211004_100000749937 [0,2,0,0,0,0|2,0,0]=4 8031 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [0,2,0,0,0,0|2,0,0]=4 8032 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [0,2,0,0,0,0|2,0,0]=4 8033 B12R1.253 CN(C)C(F)(F)c1ccccc1 269982a_100102631434_100000036403 [0,2,0,0,0,0|2,0,0]=4 8034 B12R1.253 CN(C)S(=O)(=O)c1ccccn1 270084a_100102631434_100016994956 [0,2,0,0,0,0|2,0,0]=4 8035 B12R1.253 CN(C)S(=O)(=O)c1ccccn1 274078a_100102631434_100016994956 [0,2,0,0,0,0|2,0,0]=4 8036 B12R1.253 CN(C)S(=O)(=O)c1ccccn1 40a_100102631434_100000070048 [0,2,0,0,0,0|2,0,0]=4 8037 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,2,0,0,0,0|2,0,0]=4 8038 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,2,0,0,0,0|2,0,0]=4 8039 B12R1.478 CC(C)C(N[13CH3])c1ccccn1 2230a_100015183375_200025704644 [0,2,0,0,0,0|0,0,0]=2 8040 B12R1.478 CC(C)C(N[13CH3])c1cccnc1 2230a_100015185317_200025704644 [0,2,0,0,0,0|2,0,0]=4 8041 B12R1.478 CC(C)C(N[13CH3])c1ccncc1 2230a_100000755331_200025704644 [0,2,0,0,0,0|2,0,0]=4 8042 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,2,0,0,0,0|1,0,0]=3 8043 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,2,0,0,0,0|1,0,0]=3 8044 B12R1.478 CC(C)N(CF)c1ccccc1 269982a_100000210572_100015361967 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.478 CC(C)N(CF)c1ccccc1 34a_100000210572_100015361967 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.478 CC(C)N(CF)c1ccccc1 7a_100000210572_100015361967 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,2,0,0,0,0|1,0,0]=3 8048 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,2,0,0,0,0|1,0,0]=3 8049 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,2,0,0,0,0|2,0,0]=4 8052 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,2,0,0,0,0|2,0,0]=4 8053 B12R1.478 CCC(c1ccccn1)N(C)C 2230a_100011351527_200000210301 [0,2,0,0,0,0|1,0,0]=3 8054 B12R1.478 CCC(c1ccccn1)N(C)C 269982a_100011351527_200000210301 [0,2,0,0,0,0|1,0,0]=3 8055 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 2230a_100011351527_200025704644 [0,2,0,0,0,0|1,0,0]=3 8056 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 269982a_100011351527_200025704644 [0,2,0,0,0,0|1,0,0]=3 8057 B12R1.478 CCC(c1ncccn1)N(C)C 270004a_100102631434_200011350823 [0,2,0,0,0,0|2,0,0]=4 8058 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210013_100000210206 [0,2,0,0,0,0|2,0,0]=4 8059 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210202 [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210013_100000210206 [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210572_100000204670 [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210013_100000210206 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210572_100000210202 [0,2,0,0,0,0|2,0,0]=4 8064 B12R1.478 CCN(c1ccccc1)C(C)C 7a_100000210572_100000210202 [0,2,0,0,0,0|2,0,0]=4 8065 B12R1.478 CCN(c1cccnn1)C(C)C 27a_100000223864_100016991348 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.478 CCN(c1ccncn1)C(C)C 27a_100000223864_100000703185 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.478 CCN(c1cnccn1)C(C)C 27a_100000223864_100000211759 [0,2,0,0,0,0|2,0,0]=4 8068 B12R1.478 CCN(c1ncccn1)C(C)C 27a_100000223864_100000211032 [0,2,0,0,0,0|2,0,0]=4 8069 B12R1.478 CNC(c1ccccn1)C(C)C 2230a_100015183375_200000210301 [0,2,0,0,0,0|0,0,0]=2 8070 B12R1.478 CNC(c1ccccn1)C(C)C 269862a_106832991636_100011350566 [0,2,0,0,0,0|0,0,0]=2 8071 B12R1.478 CNC(c1cccnc1)C(C)C 2230a_100015185317_200000210301 [0,2,0,0,0,0|2,0,0]=4 8072 B12R1.478 CNC(c1ccncc1)C(C)C 2230a_100000755331_200000210301 [0,2,0,0,0,0|2,0,0]=4 8073 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,2,0,0,0,0|2,0,0]=4 8074 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,2,0,0,0,0|1,0,0]=3 8075 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,2,0,0,0,0|1,0,0]=3 8076 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,2,0,0,0,0|1,0,0]=3 8077 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,2,0,0,0,0|1,0,0]=3 8078 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,2,0,0,0,0|2,0,0]=4 8079 B12R1.564 CN(c1ccccc1)C(C)(C)C 269982a_100000210012_100000210625 [0,2,0,0,0,0|2,0,0]=4 8080 B12R1.564 CN(c1ccccc1)C(C)(C)C 34a_100000210012_100000210625 [0,2,0,0,0,0|2,0,0]=4 8081 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100000233486_100000184674 [0,2,0,0,0,0|1,0,1]=4 8082 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100011220946_100000721315 [0,2,0,0,0,0|1,0,1]=4 8083 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,2,0,0,0,0|2,0,0]=4 8084 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,2,0,0,0,0|2,0,0]=4 8085 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,2,0,0,0,0|2,0,0]=4 8086 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,2,0,0,0,0|2,0,0]=4 8088 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,2,0,0,0,0|2,0,0]=4 8089 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,2,0,0,0,0|2,0,0]=4 8090 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000207498_100000038162 [0,2,0,0,0,0|1,0,0]=3 8091 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000225692_100000721315 [0,2,0,0,0,0|1,0,0]=3 8092 B12R1.32 C#CCN(C)Cc1ccccn1 270004a_100000225692_100000209966 [0,2,0,0,0,0|1,0,0]=3 8093 B12R1.32 C#CCN(C)Cc1ccccn1 34a_100000225692_100000721315 [0,2,0,0,0,0|1,0,0]=3 8094 B12R1.32 C#CCN(C)Cc1cccnn1 2230a_100000225692_100016990269 [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.32 C#CCN(C)Cc1cccnn1 34a_100000225692_100016990269 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.32 C#CCN(C)Cc1cnccn1 2230a_100000225692_100016995436 [0,2,0,0,0,0|2,0,0]=4 8097 B12R1.32 C#CCN(C)Cc1cnccn1 2230a_100011269079_100000038162 [0,2,0,0,0,0|2,0,0]=4 8098 B12R1.32 C#CCN(C)Cc1cnccn1 270004a_100000225692_100000749867 [0,2,0,0,0,0|2,0,0]=4 8099 B12R1.32 C#CCN(C)Cc1cnccn1 34a_100000225692_100016995436 [0,2,0,0,0,0|2,0,0]=4 8100 B12R1.32 C#CCN(C)Cc1ncccn1 2230a_100000225692_100000703007 [0,2,0,0,0,0|2,0,0]=4 8101 B12R1.32 C#CCN(C)Cc1ncccn1 2230a_100025716638_100000038162 [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.32 C#CCN(C)Cc1ncccn1 270004a_100000225692_100011532527 [0,2,0,0,0,0|2,0,0]=4 8103 B12R1.32 C#CCN(C)Cc1ncccn1 34a_100000225692_100000703007 [0,2,0,0,0,0|2,0,0]=4 8104 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,2,0,0,0,0|2,0,0]=4 8106 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,2,0,0,0,0|1,0,1]=4 8108 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,2,0,0,0,0|1,0,1]=4 8109 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,2,0,0,0,0|2,0,0]=4 8110 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,2,0,0,0,0|2,0,0]=4 8111 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,2,0,0,0,0|2,0,0]=4 8114 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,2,0,0,0,0|2,0,0]=4 8115 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,2,0,0,0,0|2,0,0]=4 8116 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000207498_100000210623 [0,2,0,0,0,0|1,0,0]=3 8117 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000225617_100000721315 [0,2,0,0,0,0|1,0,0]=3 8118 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000207498_100000210623 [0,2,0,0,0,0|1,0,0]=3 8119 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000225617_100000721315 [0,2,0,0,0,0|1,0,0]=3 8120 B12R1.32 C=CCN(C)Cc1ccccn1 270004a_100000225617_100000209966 [0,2,0,0,0,0|1,0,0]=3 8121 B12R1.32 C=CCN(C)Cc1cccnn1 2230a_100000225617_100016990269 [0,2,0,0,0,0|2,0,0]=4 8122 B12R1.32 C=CCN(C)Cc1cnccn1 2230a_100000225617_100016995436 [0,2,0,0,0,0|2,0,0]=4 8123 B12R1.32 C=CCN(C)Cc1cnccn1 2230a_100011269079_100000210623 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.32 C=CCN(C)Cc1cnccn1 269982a_100000225617_100016995436 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.32 C=CCN(C)Cc1cnccn1 269982a_100011269079_100000210623 [0,2,0,0,0,0|2,0,0]=4 8126 B12R1.32 C=CCN(C)Cc1cnccn1 270004a_100000225617_100000749867 [0,2,0,0,0,0|2,0,0]=4 8127 B12R1.32 C=CCN(C)Cc1ncccn1 2230a_100000225617_100000703007 [0,2,0,0,0,0|2,0,0]=4 8128 B12R1.32 C=CCN(C)Cc1ncccn1 2230a_100025716638_100000210623 [0,2,0,0,0,0|2,0,0]=4 8129 B12R1.32 C=CCN(C)Cc1ncccn1 269982a_100000225617_100000703007 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.32 C=CCN(C)Cc1ncccn1 269982a_100025716638_100000210623 [0,2,0,0,0,0|2,0,0]=4 8131 B12R1.32 C=CCN(C)Cc1ncccn1 270004a_100000225617_100011532527 [0,2,0,0,0,0|2,0,0]=4 8132 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,2,0,0,0,0|2,0,0]=4 8133 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,2,0,0,0,0|2,0,0]=4 8134 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,2,0,0,0,0|1,0,1]=4 8135 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,2,0,0,0,0|2,0,0]=4 8136 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,2,0,0,0,0|2,0,0]=4 8137 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,2,0,0,0,0|2,0,0]=4 8138 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100009813641_100011216584 [0,2,0,0,0,0|1,0,0]=3 8139 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100011216584_100009813641 [0,2,0,0,0,0|1,0,0]=3 8140 B12R1.32 CC(CC#N)Sc1cccnn1 62a_100009813641_100016991348 [0,2,0,0,0,0|2,0,0]=4 8141 B12R1.32 CC(CC#N)Sc1cccnn1 62a_100016991348_100009813641 [0,2,0,0,0,0|2,0,0]=4 8142 B12R1.32 CC(CC#N)Sc1ccncn1 62a_100000703185_100009813641 [0,2,0,0,0,0|2,0,0]=4 8143 B12R1.32 CC(CC#N)Sc1ccncn1 62a_100009813641_100000703185 [0,2,0,0,0,0|2,0,0]=4 8144 B12R1.32 CC(CC#N)Sc1cnccn1 62a_100000211759_100009813641 [0,2,0,0,0,0|2,0,0]=4 8145 B12R1.32 CC(CC#N)Sc1cnccn1 62a_100009813641_100000211759 [0,2,0,0,0,0|2,0,0]=4 8146 B12R1.32 CC(CC#N)Sc1ncccn1 62a_100000211032_100009813641 [0,2,0,0,0,0|2,0,0]=4 8147 B12R1.32 CC(CC#N)Sc1ncccn1 62a_100009813641_100000211032 [0,2,0,0,0,0|2,0,0]=4 8148 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,2,0,0,0,0|2,0,0]=4 8149 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|2,0,0]=4 8150 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|2,0,0]=4 8151 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,2,0,0,0,0|2,0,0]=4 8152 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,2,0,0,0,0|2,0,0]=4 8153 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,2,0,0,0,0|1,0,0]=3 8154 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,2,0,0,0,0|1,0,0]=3 8155 B12R1.32 CC(CCO)Sc1cccnn1 62a_100009893172_100016991348 [0,2,0,0,0,0|2,0,0]=4 8156 B12R1.32 CC(CCO)Sc1cccnn1 62a_100016991348_100009893172 [0,2,0,0,0,0|2,0,0]=4 8157 B12R1.32 CC(CCO)Sc1ccncn1 62a_100000703185_100009893172 [0,2,0,0,0,0|2,0,0]=4 8158 B12R1.32 CC(CCO)Sc1ccncn1 62a_100009893172_100000703185 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.32 CC(CCO)Sc1cnccn1 62a_100000211759_100009893172 [0,2,0,0,0,0|2,0,0]=4 8160 B12R1.32 CC(CCO)Sc1cnccn1 62a_100009893172_100000211759 [0,2,0,0,0,0|2,0,0]=4 8161 B12R1.32 CC(CCO)Sc1ncccn1 62a_100000211032_100009893172 [0,2,0,0,0,0|2,0,0]=4 8162 B12R1.32 CC(CCO)Sc1ncccn1 62a_100009893172_100000211032 [0,2,0,0,0,0|2,0,0]=4 8163 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|2,0,0]=4 8164 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|2,0,0]=4 8165 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,2,0,0,0,0|1,0,0]=3 8166 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,2,0,0,0,0|1,0,0]=3 8167 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|2,0,0]=4 8169 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,2,0,0,0,0|1,0,0]=3 8170 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,2,0,0,0,0|1,0,0]=3 8171 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,2,0,0,0,0|1,0,0]=3 8172 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,2,0,0,0,0|1,0,0]=3 8173 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,2,0,0,0,0|1,0,1]=4 8174 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,2,0,0,0,0|1,0,1]=4 8175 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,2,0,0,0,0|1,0,1]=4 8176 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,2,0,0,0,0|2,0,0]=4 8177 B12R1.32 CCCC(C)Nc1cccnn1 27a_100000741246_100016991348 [0,2,0,0,0,0|2,0,0]=4 8178 B12R1.32 CCCC(C)Nc1ccncn1 27a_100000741246_100000703185 [0,2,0,0,0,0|2,0,0]=4 8179 B12R1.32 CCCC(C)Nc1cnccn1 27a_100000741246_100000211759 [0,2,0,0,0,0|2,0,0]=4 8180 B12R1.32 CCCC(C)Nc1ncccn1 27a_100000741246_100000211032 [0,2,0,0,0,0|2,0,0]=4 8181 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|2,0,0]=4 8182 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|2,0,0]=4 8183 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,2,0,0,0,0|2,0,0]=4 8184 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,2,0,0,0,0|2,0,0]=4 8185 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,2,0,0,0,0|1,0,0]=3 8186 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,2,0,0,0,0|1,0,0]=3 8187 B12R1.32 CCCC(C)Sc1cccnn1 62a_100000766640_100016991348 [0,2,0,0,0,0|2,0,0]=4 8188 B12R1.32 CCCC(C)Sc1cccnn1 62a_100016991348_100000766640 [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000703185_100000766640 [0,2,0,0,0,0|2,0,0]=4 8190 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000766640_100000703185 [0,2,0,0,0,0|2,0,0]=4 8191 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000211759_100000766640 [0,2,0,0,0,0|2,0,0]=4 8192 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000766640_100000211759 [0,2,0,0,0,0|2,0,0]=4 8193 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000211032_100000766640 [0,2,0,0,0,0|2,0,0]=4 8194 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000766640_100000211032 [0,2,0,0,0,0|2,0,0]=4 8195 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 8196 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 8197 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,2,0,0,0,0|2,0,0]=4 8198 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 8200 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,2,0,0,0,0|2,0,0]=4 8201 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,2,0,0,0,0|1,0,0]=3 8203 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,2,0,0,0,0|1,0,0]=3 8204 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,2,0,0,0,0|1,0,0]=3 8205 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,2,0,0,0,0|1,0,0]=3 8206 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,2,0,0,0,0|1,0,0]=3 8207 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,2,0,0,0,0|1,0,0]=3 8208 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,2,0,0,0,0|1,0,0]=3 8209 B12R1.32 CCCN(C)Cc1cccnn1 2230a_100000747261_100016990269 [0,2,0,0,0,0|2,0,0]=4 8210 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100000747261_100016995436 [0,2,0,0,0,0|2,0,0]=4 8211 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100011269079_100000210303 [0,2,0,0,0,0|2,0,0]=4 8212 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100000747261_100016995436 [0,2,0,0,0,0|2,0,0]=4 8213 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100011269079_100000210303 [0,2,0,0,0,0|2,0,0]=4 8214 B12R1.32 CCCN(C)Cc1cnccn1 270004a_100000747261_100000749867 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100000747261_100000703007 [0,2,0,0,0,0|2,0,0]=4 8216 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100025716638_100000210303 [0,2,0,0,0,0|2,0,0]=4 8217 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100000747261_100000703007 [0,2,0,0,0,0|2,0,0]=4 8218 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100025716638_100000210303 [0,2,0,0,0,0|2,0,0]=4 8219 B12R1.32 CCCN(C)Cc1ncccn1 270004a_100000747261_100011532527 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 8222 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,2,0,0,0,0|1,0,0]=3 8223 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,2,0,0,0,0|1,0,0]=3 8224 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,2,0,0,0,0|1,0,1]=4 8225 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,2,0,0,0,0|2,0,0]=4 8226 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,2,0,0,0,0|0,0,0]=2 8227 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,2,0,0,0,0|2,0,0]=4 8228 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [0,2,0,0,0,0|1,0,0]=3 8231 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [0,2,0,0,0,0|1,0,0]=3 8232 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,2,0,0,0,0|1,0,0]=3 8233 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,2,0,0,0,0|1,0,0]=3 8234 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,2,0,0,0,0|1,0,0]=3 8235 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,2,0,0,0,0|1,0,0]=3 8236 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,2,0,0,0,0|1,0,0]=3 8237 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,2,0,0,0,0|2,0,0]=4 8238 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,2,0,0,0,0|2,0,0]=4 8239 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,2,0,0,0,0|2,0,0]=4 8240 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,2,0,0,0,0|2,0,0]=4 8241 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000207498_100011215382 [0,2,0,0,0,0|1,0,0]=3 8242 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000748184_100000721315 [0,2,0,0,0,0|1,0,0]=3 8243 B12R1.32 CN(CC#N)Cc1ccccn1 269982a_100000207498_100011214920 [0,2,0,0,0,0|1,0,0]=3 8244 B12R1.32 CN(CC#N)Cc1cccnn1 2230a_100000748184_100016990269 [0,2,0,0,0,0|2,0,0]=4 8245 B12R1.32 CN(CC#N)Cc1cnccn1 2230a_100000748184_100016995436 [0,2,0,0,0,0|2,0,0]=4 8246 B12R1.32 CN(CC#N)Cc1cnccn1 2230a_100011269079_100011215382 [0,2,0,0,0,0|2,0,0]=4 8247 B12R1.32 CN(CC#N)Cc1cnccn1 269982a_100011269079_100011214920 [0,2,0,0,0,0|2,0,0]=4 8248 B12R1.32 CN(CC#N)Cc1ncccn1 2230a_100000748184_100000703007 [0,2,0,0,0,0|2,0,0]=4 8249 B12R1.32 CN(CC#N)Cc1ncccn1 2230a_100025716638_100011215382 [0,2,0,0,0,0|2,0,0]=4 8250 B12R1.32 CN(CC#N)Cc1ncccn1 269982a_100025716638_100011214920 [0,2,0,0,0,0|2,0,0]=4 8251 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 8252 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 8253 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,2,0,0,0,0|1,0,0]=3 8254 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,2,0,0,0,0|1,0,0]=3 8255 B12R1.32 CN(CC=O)Cc1cnccn1 2230a_100011269079_200015260668 [0,2,0,0,0,0|2,0,0]=4 8256 B12R1.32 CN(CC=O)Cc1cnccn1 269982a_100011269079_200015260668 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.32 CN(CC=O)Cc1ncccn1 2230a_100025716638_200015260668 [0,2,0,0,0,0|2,0,0]=4 8258 B12R1.32 CN(CC=O)Cc1ncccn1 269982a_100025716638_200015260668 [0,2,0,0,0,0|2,0,0]=4 8259 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,2,0,0,0,0|2,0,0]=4 8260 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,2,0,0,0,0|2,0,0]=4 8261 B12R1.32 CN(CCF)Cc1ccccn1 2230a_100000207498_100011217306 [0,2,0,0,0,0|1,0,0]=3 8262 B12R1.32 CN(CCF)Cc1ccccn1 269982a_100000207498_100011217306 [0,2,0,0,0,0|1,0,0]=3 8263 B12R1.32 CN(CCF)Cc1cnccn1 2230a_100011269079_100011217306 [0,2,0,0,0,0|2,0,0]=4 8264 B12R1.32 CN(CCF)Cc1cnccn1 269982a_100011269079_100011217306 [0,2,0,0,0,0|2,0,0]=4 8265 B12R1.32 CN(CCF)Cc1ncccn1 2230a_100025716638_100011217306 [0,2,0,0,0,0|2,0,0]=4 8266 B12R1.32 CN(CCF)Cc1ncccn1 269982a_100025716638_100011217306 [0,2,0,0,0,0|2,0,0]=4 8267 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 8268 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,2,0,0,0,0|2,0,0]=4 8270 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 8271 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,2,0,0,0,0|2,0,0]=4 8272 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,2,0,0,0,0|2,0,0]=4 8273 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,2,0,0,0,0|1,0,0]=3 8275 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,2,0,0,0,0|1,0,0]=3 8276 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,2,0,0,0,0|1,0,0]=3 8277 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,2,0,0,0,0|1,0,0]=3 8278 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,2,0,0,0,0|1,0,0]=3 8279 B12R1.32 CN(CCO)Cc1cccnn1 2230a_100000210263_100016990269 [0,2,0,0,0,0|2,0,0]=4 8280 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100000210263_100016995436 [0,2,0,0,0,0|2,0,0]=4 8281 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100011269079_100000211926 [0,2,0,0,0,0|2,0,0]=4 8282 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100000210263_100016995436 [0,2,0,0,0,0|2,0,0]=4 8283 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100011269079_100000211926 [0,2,0,0,0,0|2,0,0]=4 8284 B12R1.32 CN(CCO)Cc1cnccn1 270004a_100000210263_100000749867 [0,2,0,0,0,0|2,0,0]=4 8285 B12R1.32 CN(CCO)Cc1ncccn1 2230a_100000210263_100000703007 [0,2,0,0,0,0|2,0,0]=4 8286 B12R1.32 CN(CCO)Cc1ncccn1 2230a_100025716638_100000211926 [0,2,0,0,0,0|2,0,0]=4 8287 B12R1.32 CN(CCO)Cc1ncccn1 269982a_100000210263_100000703007 [0,2,0,0,0,0|2,0,0]=4 8288 B12R1.32 CN(CCO)Cc1ncccn1 269982a_100025716638_100000211926 [0,2,0,0,0,0|2,0,0]=4 8289 B12R1.32 CN(CCO)Cc1ncccn1 270004a_100000210263_100011532527 [0,2,0,0,0,0|2,0,0]=4 8290 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|2,0,0]=4 8291 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|2,0,0]=4 8292 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,2,0,0,0,0|2,0,0]=4 8293 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,2,0,0,0,0|2,0,0]=4 8294 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,2,0,0,0,0|2,0,0]=4 8295 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,2,0,0,0,0|1,0,1]=4 8297 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,2,0,0,0,0|1,0,1]=4 8298 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,2,0,0,0,0|1,0,0]=3 8299 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,2,0,0,0,0|1,0,0]=3 8300 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,2,0,0,0,0|2,0,0]=4 8301 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|2,0,0]=4 8302 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|2,0,0]=4 8303 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|2,0,0]=4 8304 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|2,0,0]=4 8305 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,2,0,0,0,0|2,0,0]=4 8306 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,2,0,0,0,0|2,0,0]=4 8307 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,2,0,0,0,0|1,0,0]=3 8308 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,2,0,0,0,0|1,0,0]=3 8309 B12R1.32 COCC(C)Sc1cccnn1 62a_100000765312_100016991348 [0,2,0,0,0,0|2,0,0]=4 8310 B12R1.32 COCC(C)Sc1cccnn1 62a_100016991348_100000765312 [0,2,0,0,0,0|2,0,0]=4 8311 B12R1.32 COCC(C)Sc1ccncn1 62a_100000703185_100000765312 [0,2,0,0,0,0|2,0,0]=4 8312 B12R1.32 COCC(C)Sc1ccncn1 62a_100000765312_100000703185 [0,2,0,0,0,0|2,0,0]=4 8313 B12R1.32 COCC(C)Sc1cnccn1 62a_100000211759_100000765312 [0,2,0,0,0,0|2,0,0]=4 8314 B12R1.32 COCC(C)Sc1cnccn1 62a_100000765312_100000211759 [0,2,0,0,0,0|2,0,0]=4 8315 B12R1.32 COCC(C)Sc1ncccn1 62a_100000211032_100000765312 [0,2,0,0,0,0|2,0,0]=4 8316 B12R1.32 COCC(C)Sc1ncccn1 62a_100000765312_100000211032 [0,2,0,0,0,0|2,0,0]=4 8317 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,2,0,0,0,0|2,0,0]=4 8318 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 8319 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 8320 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,2,0,0,0,0|1,0,0]=3 8321 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,2,0,0,0,0|1,0,0]=3 8322 B12R1.32 COCN(C)Cc1cnccn1 2230a_100011269079_100000766300 [0,2,0,0,0,0|2,0,0]=4 8323 B12R1.32 COCN(C)Cc1cnccn1 269982a_100011269079_100000766300 [0,2,0,0,0,0|2,0,0]=4 8324 B12R1.32 COCN(C)Cc1ncccn1 2230a_100025716638_100000766300 [0,2,0,0,0,0|2,0,0]=4 8325 B12R1.32 COCN(C)Cc1ncccn1 269982a_100025716638_100000766300 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.32 COC[C@@H](C)Nc1cccnn1 27a_100000764878_100016991348 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.32 COC[C@@H](C)Nc1ccncn1 27a_100000764878_100000703185 [0,2,0,0,0,0|2,0,0]=4 8328 B12R1.32 COC[C@@H](C)Nc1cnccn1 27a_100000764878_100000211759 [0,2,0,0,0,0|2,0,0]=4 8329 B12R1.32 COC[C@@H](C)Nc1ncccn1 27a_100000764878_100000211032 [0,2,0,0,0,0|2,0,0]=4 8330 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,2,0,0,0,0|2,0,0]=4 8331 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,2,0,0,0,0|1,0,1]=4 8332 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,2,0,0,0,0|2,0,0]=4 8333 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,2,0,0,0,0|2,0,0]=4 8334 B12R1.32 CSCN(C)Cc1ccccn1 2230a_100000207498_100011218213 [0,2,0,0,0,0|1,0,0]=3 8335 B12R1.32 CSCN(C)Cc1ccccn1 269982a_100000207498_100011218213 [0,2,0,0,0,0|1,0,0]=3 8336 B12R1.32 CSCN(C)Cc1cnccn1 2230a_100011269079_100011218213 [0,2,0,0,0,0|2,0,0]=4 8337 B12R1.32 CSCN(C)Cc1cnccn1 269982a_100011269079_100011218213 [0,2,0,0,0,0|2,0,0]=4 8338 B12R1.32 CSCN(C)Cc1ncccn1 2230a_100025716638_100011218213 [0,2,0,0,0,0|2,0,0]=4 8339 B12R1.32 CSCN(C)Cc1ncccn1 269982a_100025716638_100011218213 [0,2,0,0,0,0|2,0,0]=4 8340 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,2,0,0,0,0|2,0,0]=4 8341 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,2,0,0,0,0|2,0,0]=4 8342 B12R1.32 C[C@@H](CC#N)Nc1cccnn1 27a_100016994482_100016991348 [0,2,0,0,0,0|2,0,0]=4 8343 B12R1.32 C[C@@H](CC#N)Nc1ccncn1 27a_100016994482_100000703185 [0,2,0,0,0,0|2,0,0]=4 8344 B12R1.32 C[C@@H](CC#N)Nc1cnccn1 27a_100016994482_100000211759 [0,2,0,0,0,0|2,0,0]=4 8345 B12R1.32 C[C@@H](CC#N)Nc1ncccn1 27a_100016994482_100000211032 [0,2,0,0,0,0|2,0,0]=4 8346 B12R1.32 C[C@H](CCO)Nc1cccnn1 27a_100000706166_100016991348 [0,2,0,0,0,0|2,0,0]=4 8347 B12R1.32 C[C@H](CCO)Nc1ccncn1 27a_100000706166_100000703185 [0,2,0,0,0,0|2,0,0]=4 8348 B12R1.32 C[C@H](CCO)Nc1cnccn1 27a_100000706166_100000211759 [0,2,0,0,0,0|2,0,0]=4 8349 B12R1.32 C[C@H](CCO)Nc1ncccn1 27a_100000706166_100000211032 [0,2,0,0,0,0|2,0,0]=4 8350 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100000233486_100011214920 [0,2,0,0,0,0|1,0,1]=4 8351 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100051588842_100000721315 [0,2,0,0,0,0|1,0,1]=4 8352 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,2,0,0,0,0|1,0,1]=4 8353 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|1,0,1]=4 8354 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|1,0,1]=4 8355 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,2,0,0,0,0|2,0,0]=4 8356 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 8358 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,2,0,0,0,0|2,0,0]=4 8359 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,2,0,0,0,0|2,0,0]=4 8360 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,2,0,0,0,0|2,0,0]=4 8361 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,2,0,0,0,0|2,0,0]=4 8362 B12R1.50 C#CC(C)Nc1cc(ccn1)F 27a_100000707721_100000764206 [0,2,0,0,0,0|1,0,1]=4 8363 B12R1.50 C#CC(C)Nc1cccc(n1)F 27a_100000707721_100009815982 [0,2,0,0,0,0|1,0,1]=4 8364 B12R1.50 C#CC(C)Oc1cccc(n1)F 34a_100011432558_200000035995 [0,2,0,0,0,0|1,0,1]=4 8365 B12R1.50 C#CC(C)Sc1cc(ccn1)C 62a_200000035995_100000750283 [0,2,0,0,0,0|1,0,1]=4 8366 B12R1.50 C#CC(C)Sc1cc(ccn1)Cl 62a_200000035995_100010167805 [0,2,0,0,0,0|1,0,1]=4 8367 B12R1.50 C#CC(C)Sc1cc(ccn1)F 62a_200000035995_100000764206 [0,2,0,0,0,0|1,0,1]=4 8368 B12R1.50 C#CC(C)Sc1cc(ccn1)N 62a_200000035995_100009814236 [0,2,0,0,0,0|1,0,1]=4 8369 B12R1.50 C#CC(C)Sc1cc(ccn1)O 62a_200000035995_100000762945 [0,2,0,0,0,0|1,0,1]=4 8370 B12R1.50 C#CC(C)Sc1cccc(n1)Br 62a_200000035995_100000684672 [0,2,0,0,0,0|1,0,1]=4 8371 B12R1.50 C#CC(C)Sc1cccc(n1)C 62a_200000035995_100000742759 [0,2,0,0,0,0|1,0,1]=4 8372 B12R1.50 C#CC(C)Sc1cccc(n1)Cl 62a_200000035995_100000051397 [0,2,0,0,0,0|1,0,1]=4 8373 B12R1.50 C#CC(C)Sc1cccc(n1)F 62a_200000035995_100009815982 [0,2,0,0,0,0|1,0,1]=4 8374 B12R1.50 C#CC(C)Sc1cccc(n1)N 62a_200000035995_100000740741 [0,2,0,0,0,0|1,0,1]=4 8375 B12R1.50 C=CC(C)Sc1cc(ccn1)C 62a_100011215867_100000750283 [0,2,0,0,0,0|1,0,1]=4 8376 B12R1.50 C=CC(C)Sc1cc(ccn1)Cl 62a_100011215867_100010167805 [0,2,0,0,0,0|1,0,1]=4 8377 B12R1.50 C=CC(C)Sc1cc(ccn1)F 62a_100011215867_100000764206 [0,2,0,0,0,0|1,0,1]=4 8378 B12R1.50 C=CC(C)Sc1cc(ccn1)N 62a_100011215867_100009814236 [0,2,0,0,0,0|1,0,1]=4 8379 B12R1.50 C=CC(C)Sc1cc(ccn1)O 62a_100011215867_100000762945 [0,2,0,0,0,0|1,0,1]=4 8380 B12R1.50 C=CC(C)Sc1cccc(n1)Br 62a_100011215867_100000684672 [0,2,0,0,0,0|1,0,1]=4 8381 B12R1.50 C=CC(C)Sc1cccc(n1)C 62a_100011215867_100000742759 [0,2,0,0,0,0|1,0,1]=4 8382 B12R1.50 C=CC(C)Sc1cccc(n1)Cl 62a_100011215867_100000051397 [0,2,0,0,0,0|1,0,1]=4 8383 B12R1.50 C=CC(C)Sc1cccc(n1)F 62a_100011215867_100009815982 [0,2,0,0,0,0|1,0,1]=4 8384 B12R1.50 C=CC(C)Sc1cccc(n1)N 62a_100011215867_100000740741 [0,2,0,0,0,0|1,0,1]=4 8385 B12R1.50 CC(C#N)Sc1cc(ccn1)Cl 62a_100000703298_100010167805 [0,2,0,0,0,0|1,0,1]=4 8386 B12R1.50 CC(C#N)Sc1cc(ccn1)Cl 62a_100010167805_100000703298 [0,2,0,0,0,0|1,0,1]=4 8387 B12R1.50 CC(C#N)Sc1cc(ccn1)F 62a_100000703298_100000764206 [0,2,0,0,0,0|1,0,1]=4 8388 B12R1.50 CC(C#N)Sc1cc(ccn1)F 62a_100000764206_100000703298 [0,2,0,0,0,0|1,0,1]=4 8389 B12R1.50 CC(C#N)Sc1cc(ccn1)N 62a_100000703298_100009814236 [0,2,0,0,0,0|1,0,1]=4 8390 B12R1.50 CC(C#N)Sc1cc(ccn1)N 62a_100009814236_100000703298 [0,2,0,0,0,0|1,0,1]=4 8391 B12R1.50 CC(C#N)Sc1cc(ccn1)O 62a_100000703298_100000762945 [0,2,0,0,0,0|1,0,1]=4 8392 B12R1.50 CC(C#N)Sc1cccc(n1)Br 62a_100000684672_100000703298 [0,2,0,0,0,0|1,0,1]=4 8393 B12R1.50 CC(C#N)Sc1cccc(n1)Br 62a_100000703298_100000684672 [0,2,0,0,0,0|1,0,1]=4 8394 B12R1.50 CC(C#N)Sc1cccc(n1)Cl 62a_100000051397_100000703298 [0,2,0,0,0,0|1,0,1]=4 8395 B12R1.50 CC(C#N)Sc1cccc(n1)Cl 62a_100000703298_100000051397 [0,2,0,0,0,0|1,0,1]=4 8396 B12R1.50 CC(C#N)Sc1cccc(n1)F 62a_100000703298_100009815982 [0,2,0,0,0,0|1,0,1]=4 8397 B12R1.50 CC(C#N)Sc1cccc(n1)F 62a_100009815982_100000703298 [0,2,0,0,0,0|1,0,1]=4 8398 B12R1.50 CC(C#N)Sc1cccc(n1)N 62a_100000703298_100000740741 [0,2,0,0,0,0|1,0,1]=4 8399 B12R1.50 CC(C#N)Sc1cccc(n1)N 62a_100000740741_100000703298 [0,2,0,0,0,0|1,0,1]=4 8400 B12R1.50 CC(CO)Nc1cccc(c1)Br 34a_100000210019_100012180447 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.50 CC(CO)Nc1cccc(c1)Cl 34a_100000185859_100012180447 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.50 CC(CO)Nc1cccc(c1)F 34a_100000210047_100012180447 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.50 CC(CO)Nc1cccc(c1)I 34a_100000211102_100012180447 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [0,2,0,0,0,0|2,0,0]=4 8405 B12R1.50 CC(CO)Oc1cccc(=O)[nH]1 34a_100000033347_100012180447 [0,2,0,0,0,0|1,0,1]=4 8406 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,2,0,0,0,0|2,0,0]=4 8409 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,2,0,0,0,0|2,0,0]=4 8410 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,2,0,0,0,0|2,0,0]=4 8411 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,2,0,0,0,0|2,0,0]=4 8412 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,2,0,0,0,0|2,0,0]=4 8413 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,2,0,0,0,0|2,0,0]=4 8414 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,2,0,0,0,0|2,0,0]=4 8415 B12R1.50 CC(CO)Oc1cccc(n1)F 34a_100011432558_100012180447 [0,2,0,0,0,0|1,0,0]=3 8416 B12R1.50 CC(CO)Sc1c[n+](ccn1)[O-] 62a_100012180447_100009880115 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.50 CC(CO)Sc1cc(ccn1)Cl 62a_100012180447_100010167805 [0,2,0,0,0,0|1,0,0]=3 8418 B12R1.50 CC(CO)Sc1cc(ccn1)F 62a_100012180447_100000764206 [0,2,0,0,0,0|1,0,0]=3 8419 B12R1.50 CC(CO)Sc1cc(ccn1)N 62a_100012180447_100009814236 [0,2,0,0,0,0|1,0,0]=3 8420 B12R1.50 CC(CO)Sc1cc(ccn1)O 62a_100012180447_100000762945 [0,2,0,0,0,0|1,0,0]=3 8421 B12R1.50 CC(CO)Sc1cc(cnn1)N 62a_100012180447_100011996757 [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.50 CC(CO)Sc1cc(cnn1)O 62a_100012180447_200010734679 [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.50 CC(CO)Sc1cc(ncn1)Cl 62a_100012180447_100010161198 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.50 CC(CO)Sc1cc(ncn1)F 62a_100012180447_200009880791 [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.50 CC(CO)Sc1cc(ncn1)N 62a_100012180447_100000701291 [0,2,0,0,0,0|2,0,0]=4 8426 B12R1.50 CC(CO)Sc1cc(ncn1)O 62a_100012180447_100000765262 [0,2,0,0,0,0|2,0,0]=4 8427 B12R1.50 CC(CO)Sc1cc[nH]c(=O)n1 62a_100012180447_200000134032 [0,2,0,0,0,0|2,0,0]=4 8428 B12R1.50 CC(CO)Sc1cccc(=O)[nH]1 62a_100012180447_100000752884 [0,2,0,0,0,0|1,0,1]=4 8429 B12R1.50 CC(CO)Sc1cccc(c1)Br 62a_100012180447_100000691529 [0,2,0,0,0,0|2,0,0]=4 8430 B12R1.50 CC(CO)Sc1cccc(c1)Cl 62a_100012180447_100000699651 [0,2,0,0,0,0|2,0,0]=4 8431 B12R1.50 CC(CO)Sc1cccc(c1)F 62a_100012180447_100000685547 [0,2,0,0,0,0|2,0,0]=4 8432 B12R1.50 CC(CO)Sc1cccc(c1)N 62a_100012180447_100000210019 [0,2,0,0,0,0|2,0,0]=4 8433 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [0,2,0,0,0,0|2,0,0]=4 8434 B12R1.50 CC(CO)Sc1cccc(c1)[S] 62a_100012180447_114929384022 [0,2,0,0,0,0|2,0,0]=4 8435 B12R1.50 CC(CO)Sc1cccc(n1)Br 62a_100012180447_100000684672 [0,2,0,0,0,0|1,0,0]=3 8436 B12R1.50 CC(CO)Sc1cccc(n1)Cl 62a_100012180447_100000051397 [0,2,0,0,0,0|1,0,0]=3 8437 B12R1.50 CC(CO)Sc1cccc(n1)F 62a_100012180447_100009815982 [0,2,0,0,0,0|1,0,0]=3 8438 B12R1.50 CC(CO)Sc1cccc(n1)N 62a_100012180447_100000740741 [0,2,0,0,0,0|1,0,0]=3 8439 B12R1.50 CC(CO)Sc1ccnc(n1)Cl 62a_100012180447_100010154678 [0,2,0,0,0,0|2,0,0]=4 8440 B12R1.50 CC(CO)Sc1ccnc(n1)N 62a_100012180447_100000055538 [0,2,0,0,0,0|2,0,0]=4 8441 B12R1.50 CC(CO)Sc1cncc(n1)Cl 62a_100012180447_100010892449 [0,2,0,0,0,0|2,0,0]=4 8442 B12R1.50 CC(CO)Sc1cncc(n1)F 62a_100012180447_200009863489 [0,2,0,0,0,0|2,0,0]=4 8443 B12R1.50 CC(CO)Sc1cncc(n1)N 62a_100012180447_100000747728 [0,2,0,0,0,0|2,0,0]=4 8444 B12R1.50 CC(CO)Sc1cncc(n1)O 62a_100012180447_100011269956 [0,2,0,0,0,0|2,0,0]=4 8445 B12R1.50 CC(CO)Sc1nccc(n1)N 62a_100012180447_100000757536 [0,2,0,0,0,0|2,0,0]=4 8446 B12R1.50 CC(CO)Sc1nccc(n1)O 62a_100012180447_100011649813 [0,2,0,0,0,0|2,0,0]=4 8447 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,2,0,0,0,0|1,0,1]=4 8448 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,2,0,0,0,0|1,0,1]=4 8449 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,2,0,0,0,0|1,0,1]=4 8450 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,2,0,0,0,0|1,0,1]=4 8451 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,2,0,0,0,0|1,0,1]=4 8452 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,2,0,0,0,0|1,0,1]=4 8453 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,2,0,0,0,0|1,0,1]=4 8454 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,2,0,0,0,0|1,0,1]=4 8455 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,2,0,0,0,0|1,0,1]=4 8456 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,2,0,0,0,0|1,0,1]=4 8457 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,2,0,0,0,0|1,0,1]=4 8458 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [0,2,0,0,0,0|2,0,0]=4 8459 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [0,2,0,0,0,0|2,0,0]=4 8460 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [0,2,0,0,0,0|2,0,0]=4 8461 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [0,2,0,0,0,0|2,0,0]=4 8462 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [0,2,0,0,0,0|2,0,0]=4 8463 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [0,2,0,0,0,0|2,0,0]=4 8464 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [0,2,0,0,0,0|2,0,0]=4 8465 B12R1.50 CCC(C)Oc1cc(cnn1)C 34a_100000766097_100011215416 [0,2,0,0,0,0|2,0,0]=4 8466 B12R1.50 CCC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100011215416 [0,2,0,0,0,0|1,0,1]=4 8467 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,2,0,0,0,0|2,0,0]=4 8468 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,2,0,0,0,0|2,0,0]=4 8469 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,2,0,0,0,0|2,0,0]=4 8470 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,2,0,0,0,0|2,0,0]=4 8471 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,2,0,0,0,0|2,0,0]=4 8472 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,2,0,0,0,0|2,0,0]=4 8473 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,2,0,0,0,0|2,0,0]=4 8474 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,2,0,0,0,0|2,0,0]=4 8475 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,2,0,0,0,0|2,0,0]=4 8476 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,2,0,0,0,0|2,0,0]=4 8477 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,2,0,0,0,0|2,0,0]=4 8478 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,2,0,0,0,0|2,0,0]=4 8479 B12R1.50 CCC(C)Oc1cccc(n1)F 34a_100011432558_100011215416 [0,2,0,0,0,0|1,0,0]=3 8480 B12R1.50 CCC(C)Sc1c[n+](ccn1)[O-] 62a_100000758301_100009880115 [0,2,0,0,0,0|2,0,0]=4 8481 B12R1.50 CCC(C)Sc1cc(=O)[nH]cn1 62a_100012002517_100000758301 [0,2,0,0,0,0|2,0,0]=4 8482 B12R1.50 CCC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000758301 [0,2,0,0,0,0|1,0,1]=4 8483 B12R1.50 CCC(C)Sc1cc(ccn1)C 62a_100000750283_100000758301 [0,2,0,0,0,0|1,0,0]=3 8484 B12R1.50 CCC(C)Sc1cc(ccn1)C 62a_100000758301_100000750283 [0,2,0,0,0,0|1,0,0]=3 8485 B12R1.50 CCC(C)Sc1cc(ccn1)Cl 62a_100000758301_100010167805 [0,2,0,0,0,0|1,0,0]=3 8486 B12R1.50 CCC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000758301 [0,2,0,0,0,0|1,0,0]=3 8487 B12R1.50 CCC(C)Sc1cc(ccn1)F 62a_100000758301_100000764206 [0,2,0,0,0,0|1,0,0]=3 8488 B12R1.50 CCC(C)Sc1cc(ccn1)F 62a_100000764206_100000758301 [0,2,0,0,0,0|1,0,0]=3 8489 B12R1.50 CCC(C)Sc1cc(ccn1)N 62a_100000758301_100009814236 [0,2,0,0,0,0|1,0,0]=3 8490 B12R1.50 CCC(C)Sc1cc(ccn1)N 62a_100009814236_100000758301 [0,2,0,0,0,0|1,0,0]=3 8491 B12R1.50 CCC(C)Sc1cc(ccn1)O 62a_100000758301_100000762945 [0,2,0,0,0,0|1,0,0]=3 8492 B12R1.50 CCC(C)Sc1cc(cnn1)C 62a_100000070100_100000758301 [0,2,0,0,0,0|2,0,0]=4 8493 B12R1.50 CCC(C)Sc1cc(cnn1)C 62a_100000758301_100000070100 [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.50 CCC(C)Sc1cc(cnn1)N 62a_100000758301_100011996757 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.50 CCC(C)Sc1cc(cnn1)N 62a_100011996757_100000758301 [0,2,0,0,0,0|2,0,0]=4 8496 B12R1.50 CCC(C)Sc1cc(cnn1)O 62a_100000758301_200010734679 [0,2,0,0,0,0|2,0,0]=4 8497 B12R1.50 CCC(C)Sc1cc(ncn1)C 62a_100000744208_100000758301 [0,2,0,0,0,0|2,0,0]=4 8498 B12R1.50 CCC(C)Sc1cc(ncn1)C 62a_100000758301_100000744208 [0,2,0,0,0,0|2,0,0]=4 8499 B12R1.50 CCC(C)Sc1cc(ncn1)Cl 62a_100000758301_100010161198 [0,2,0,0,0,0|2,0,0]=4 8500 B12R1.50 CCC(C)Sc1cc(ncn1)Cl 62a_100010161198_100000758301 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.50 CCC(C)Sc1cc(ncn1)F 62a_100000758301_200009880791 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.50 CCC(C)Sc1cc(ncn1)F 62a_200009880791_100000758301 [0,2,0,0,0,0|2,0,0]=4 8503 B12R1.50 CCC(C)Sc1cc(ncn1)N 62a_100000701291_100000758301 [0,2,0,0,0,0|2,0,0]=4 8504 B12R1.50 CCC(C)Sc1cc(ncn1)N 62a_100000758301_100000701291 [0,2,0,0,0,0|2,0,0]=4 8505 B12R1.50 CCC(C)Sc1cc(ncn1)O 62a_100000758301_100000765262 [0,2,0,0,0,0|2,0,0]=4 8506 B12R1.50 CCC(C)Sc1cc[nH]c(=O)n1 62a_100000758301_200000134032 [0,2,0,0,0,0|2,0,0]=4 8507 B12R1.50 CCC(C)Sc1cccc(=O)[nH]1 62a_100000758301_100000752884 [0,2,0,0,0,0|1,0,1]=4 8508 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [0,2,0,0,0,0|2,0,0]=4 8509 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [0,2,0,0,0,0|2,0,0]=4 8510 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [0,2,0,0,0,0|2,0,0]=4 8511 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [0,2,0,0,0,0|2,0,0]=4 8512 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [0,2,0,0,0,0|2,0,0]=4 8513 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [0,2,0,0,0,0|2,0,0]=4 8514 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [0,2,0,0,0,0|2,0,0]=4 8515 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [0,2,0,0,0,0|2,0,0]=4 8517 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [0,2,0,0,0,0|2,0,0]=4 8518 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [0,2,0,0,0,0|2,0,0]=4 8519 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [0,2,0,0,0,0|2,0,0]=4 8520 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.50 CCC(C)Sc1cccc(n1)Br 62a_100000684672_100000758301 [0,2,0,0,0,0|1,0,0]=3 8522 B12R1.50 CCC(C)Sc1cccc(n1)Br 62a_100000758301_100000684672 [0,2,0,0,0,0|1,0,0]=3 8523 B12R1.50 CCC(C)Sc1cccc(n1)C 62a_100000742759_100000758301 [0,2,0,0,0,0|1,0,0]=3 8524 B12R1.50 CCC(C)Sc1cccc(n1)C 62a_100000758301_100000742759 [0,2,0,0,0,0|1,0,0]=3 8525 B12R1.50 CCC(C)Sc1cccc(n1)Cl 62a_100000051397_100000758301 [0,2,0,0,0,0|1,0,0]=3 8526 B12R1.50 CCC(C)Sc1cccc(n1)Cl 62a_100000758301_100000051397 [0,2,0,0,0,0|1,0,0]=3 8527 B12R1.50 CCC(C)Sc1cccc(n1)F 62a_100000758301_100009815982 [0,2,0,0,0,0|1,0,0]=3 8528 B12R1.50 CCC(C)Sc1cccc(n1)F 62a_100009815982_100000758301 [0,2,0,0,0,0|1,0,0]=3 8529 B12R1.50 CCC(C)Sc1cccc(n1)N 62a_100000740741_100000758301 [0,2,0,0,0,0|1,0,0]=3 8530 B12R1.50 CCC(C)Sc1cccc(n1)N 62a_100000758301_100000740741 [0,2,0,0,0,0|1,0,0]=3 8531 B12R1.50 CCC(C)Sc1ccnc(n1)C 62a_100000749937_100000758301 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.50 CCC(C)Sc1ccnc(n1)C 62a_100000758301_100000749937 [0,2,0,0,0,0|2,0,0]=4 8533 B12R1.50 CCC(C)Sc1ccnc(n1)Cl 62a_100000758301_100010154678 [0,2,0,0,0,0|2,0,0]=4 8534 B12R1.50 CCC(C)Sc1ccnc(n1)Cl 62a_100010154678_100000758301 [0,2,0,0,0,0|2,0,0]=4 8535 B12R1.50 CCC(C)Sc1ccnc(n1)N 62a_100000055538_100000758301 [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.50 CCC(C)Sc1ccnc(n1)N 62a_100000758301_100000055538 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.50 CCC(C)Sc1cncc(n1)C 62a_100000754123_100000758301 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.50 CCC(C)Sc1cncc(n1)C 62a_100000758301_100000754123 [0,2,0,0,0,0|2,0,0]=4 8539 B12R1.50 CCC(C)Sc1cncc(n1)Cl 62a_100000758301_100010892449 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.50 CCC(C)Sc1cncc(n1)Cl 62a_100010892449_100000758301 [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.50 CCC(C)Sc1cncc(n1)F 62a_100000758301_200009863489 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.50 CCC(C)Sc1cncc(n1)F 62a_200009863489_100000758301 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.50 CCC(C)Sc1cncc(n1)N 62a_100000747728_100000758301 [0,2,0,0,0,0|2,0,0]=4 8544 B12R1.50 CCC(C)Sc1cncc(n1)N 62a_100000758301_100000747728 [0,2,0,0,0,0|2,0,0]=4 8545 B12R1.50 CCC(C)Sc1cncc(n1)O 62a_100000758301_100011269956 [0,2,0,0,0,0|2,0,0]=4 8546 B12R1.50 CCC(C)Sc1nccc(n1)C 62a_100000758301_100011243806 [0,2,0,0,0,0|2,0,0]=4 8547 B12R1.50 CCC(C)Sc1nccc(n1)C 62a_100011243806_100000758301 [0,2,0,0,0,0|2,0,0]=4 8548 B12R1.50 CCC(C)Sc1nccc(n1)N 62a_100000757536_100000758301 [0,2,0,0,0,0|2,0,0]=4 8549 B12R1.50 CCC(C)Sc1nccc(n1)N 62a_100000758301_100000757536 [0,2,0,0,0,0|2,0,0]=4 8550 B12R1.50 CCC(C)Sc1nccc(n1)O 62a_100000758301_100011649813 [0,2,0,0,0,0|2,0,0]=4 8551 B12R1.50 CCN(C)Cc1cc(ccn1)Br 2230a_100000225621_100010173614 [0,2,0,0,0,0|1,0,0]=3 8552 B12R1.50 CCN(C)Cc1cc(ccn1)Br 269982a_100000225621_100010173614 [0,2,0,0,0,0|1,0,0]=3 8553 B12R1.50 CCN(C)Cc1cc(ccn1)C 2230a_100000225621_100000718516 [0,2,0,0,0,0|1,0,0]=3 8554 B12R1.50 CCN(C)Cc1cc(ccn1)C 2230a_106354213154_100000210202 [0,2,0,0,0,0|1,0,0]=3 8555 B12R1.50 CCN(C)Cc1cc(ccn1)C 269982a_100000225621_100000718516 [0,2,0,0,0,0|1,0,0]=3 8556 B12R1.50 CCN(C)Cc1cc(ccn1)C 269982a_106354213154_100000204670 [0,2,0,0,0,0|1,0,0]=3 8557 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 2230a_100000225621_100016988179 [0,2,0,0,0,0|1,0,0]=3 8558 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 2230a_100102954512_100000210202 [0,2,0,0,0,0|1,0,0]=3 8559 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 269982a_100000225621_100016988179 [0,2,0,0,0,0|1,0,0]=3 8560 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 269982a_100102954512_100000204670 [0,2,0,0,0,0|1,0,0]=3 8561 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [0,2,0,0,0,0|2,0,0]=4 8563 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [0,2,0,0,0,0|2,0,0]=4 8572 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [0,2,0,0,0,0|2,0,0]=4 8573 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [0,2,0,0,0,0|2,0,0]=4 8574 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [0,2,0,0,0,0|2,0,0]=4 8576 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [0,2,0,0,0,0|2,0,0]=4 8578 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [0,2,0,0,0,0|2,0,0]=4 8579 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [0,2,0,0,0,0|2,0,0]=4 8580 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [0,2,0,0,0,0|2,0,0]=4 8581 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [0,2,0,0,0,0|2,0,0]=4 8582 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [0,2,0,0,0,0|2,0,0]=4 8583 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [0,2,0,0,0,0|2,0,0]=4 8584 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [0,2,0,0,0,0|2,0,0]=4 8585 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [0,2,0,0,0,0|2,0,0]=4 8586 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [0,2,0,0,0,0|2,0,0]=4 8587 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [0,2,0,0,0,0|2,0,0]=4 8588 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [0,2,0,0,0,0|2,0,0]=4 8589 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [0,2,0,0,0,0|2,0,0]=4 8590 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [0,2,0,0,0,0|2,0,0]=4 8591 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [0,2,0,0,0,0|2,0,0]=4 8592 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [0,2,0,0,0,0|2,0,0]=4 8593 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [0,2,0,0,0,0|2,0,0]=4 8594 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.50 CCN(C)Cc1cccc(n1)Br 2230a_100000225621_100009889011 [0,2,0,0,0,0|1,0,0]=3 8598 B12R1.50 CCN(C)Cc1cccc(n1)Br 2230a_106354212997_100000210202 [0,2,0,0,0,0|1,0,0]=3 8599 B12R1.50 CCN(C)Cc1cccc(n1)Br 269982a_100000225621_100009889011 [0,2,0,0,0,0|1,0,0]=3 8600 B12R1.50 CCN(C)Cc1cccc(n1)Br 269982a_106354212997_100000204670 [0,2,0,0,0,0|1,0,0]=3 8601 B12R1.50 CCN(C)Cc1cccc(n1)C 2230a_100000225621_100000757606 [0,2,0,0,0,0|1,0,0]=3 8602 B12R1.50 CCN(C)Cc1cccc(n1)C 2230a_100000687132_100000210202 [0,2,0,0,0,0|1,0,0]=3 8603 B12R1.50 CCN(C)Cc1cccc(n1)C 269982a_100000225621_100000757606 [0,2,0,0,0,0|1,0,0]=3 8604 B12R1.50 CCN(C)Cc1cccc(n1)C 269982a_100000687132_100000204670 [0,2,0,0,0,0|1,0,0]=3 8605 B12R1.50 CCN(C)Cc1cccc(n1)Cl 2230a_100000225621_100000086093 [0,2,0,0,0,0|1,0,0]=3 8606 B12R1.50 CCN(C)Cc1cccc(n1)Cl 269982a_100000225621_100000086093 [0,2,0,0,0,0|1,0,0]=3 8607 B12R1.50 CCN(C)Cc1cccc(n1)F 2230a_100000225621_100009819644 [0,2,0,0,0,0|1,0,0]=3 8608 B12R1.50 CCN(C)Cc1cccc(n1)F 269982a_100000225621_100009819644 [0,2,0,0,0,0|1,0,0]=3 8609 B12R1.50 CCN(C)Cc1ccnc(n1)Cl 2230a_100000225621_100000099655 [0,2,0,0,0,0|2,0,0]=4 8610 B12R1.50 CCN(C)Cc1ccnc(n1)Cl 269982a_100000225621_100000099655 [0,2,0,0,0,0|2,0,0]=4 8611 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [0,2,0,0,0,0|2,0,0]=4 8619 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [0,2,0,0,0,0|2,0,0]=4 8621 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.50 CN(CF)Cc1cc(ccn1)Cl 269982a_100102954512_100015361967 [0,2,0,0,0,0|1,0,0]=3 8623 B12R1.50 CN(CF)Cc1cccc(c1)Br 269982a_100000187585_100015361967 [0,2,0,0,0,0|2,0,0]=4 8624 B12R1.50 CN(CF)Cc1cccc(c1)Cl 269982a_100020629429_100015361967 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.50 CN(CF)Cc1cccc(c1)F 269982a_100000184398_100015361967 [0,2,0,0,0,0|2,0,0]=4 8626 B12R1.50 CN(CF)Cc1cccc(c1)F 34a_100000184398_100015361967 [0,2,0,0,0,0|2,0,0]=4 8627 B12R1.50 CN(CF)Cc1cccc(c1)O 269982a_100000207540_100015361967 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.50 CN(CF)Cc1cccc(n1)Br 269982a_106354212997_100015361967 [0,2,0,0,0,0|1,0,0]=3 8629 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,2,0,0,0,0|1,0,1]=4 8630 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,2,0,0,0,0|1,0,1]=4 8631 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,2,0,0,0,0|1,0,1]=4 8632 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,2,0,0,0,0|1,0,1]=4 8633 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,2,0,0,0,0|1,0,1]=4 8634 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,2,0,0,0,0|1,0,1]=4 8635 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,2,0,0,0,0|1,0,1]=4 8636 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,2,0,0,0,0|1,0,1]=4 8637 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,2,0,0,0,0|1,0,1]=4 8638 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,2,0,0,0,0|1,0,1]=4 8639 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,2,0,0,0,0|1,0,1]=4 8640 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,2,0,0,0,0|1,0,1]=4 8641 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,2,0,0,0,0|1,0,1]=4 8642 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [0,2,0,0,0,0|0,0,0]=2 8643 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,2,0,0,0,0|1,0,0]=3 8644 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,2,0,0,0,0|1,0,0]=3 8645 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,2,0,0,0,0|1,0,0]=3 8646 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,2,0,0,0,0|1,0,1]=4 8647 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,2,0,0,0,0|1,0,1]=4 8648 B12R1.50 COC(C)Cc1cccc(n1)C 34a_200015421231_200000210301 [0,2,0,0,0,0|0,0,0]=2 8649 B12R1.50 COC(C)Sc1c[n+](ccn1)[O-] 62a_100009879195_100009880115 [0,2,0,0,0,0|2,0,0]=4 8650 B12R1.50 COC(C)Sc1cc(=O)[nH]cn1 62a_100012002517_100009879195 [0,2,0,0,0,0|2,0,0]=4 8651 B12R1.50 COC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100009879195 [0,2,0,0,0,0|1,0,1]=4 8652 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100000750283_100009879195 [0,2,0,0,0,0|1,0,0]=3 8653 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100009879195_100000750283 [0,2,0,0,0,0|1,0,0]=3 8654 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100009879195_100010167805 [0,2,0,0,0,0|1,0,0]=3 8655 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100010167805_100009879195 [0,2,0,0,0,0|1,0,0]=3 8656 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100000764206_100009879195 [0,2,0,0,0,0|1,0,0]=3 8657 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100009879195_100000764206 [0,2,0,0,0,0|1,0,0]=3 8658 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009814236_100009879195 [0,2,0,0,0,0|1,0,0]=3 8659 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009879195_100009814236 [0,2,0,0,0,0|1,0,0]=3 8660 B12R1.50 COC(C)Sc1cc(ccn1)O 62a_100009879195_100000762945 [0,2,0,0,0,0|1,0,0]=3 8661 B12R1.50 COC(C)Sc1cc(cnn1)C 62a_100000070100_100009879195 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.50 COC(C)Sc1cc(cnn1)C 62a_100009879195_100000070100 [0,2,0,0,0,0|2,0,0]=4 8663 B12R1.50 COC(C)Sc1cc(cnn1)N 62a_100009879195_100011996757 [0,2,0,0,0,0|2,0,0]=4 8664 B12R1.50 COC(C)Sc1cc(cnn1)N 62a_100011996757_100009879195 [0,2,0,0,0,0|2,0,0]=4 8665 B12R1.50 COC(C)Sc1cc(cnn1)O 62a_100009879195_200010734679 [0,2,0,0,0,0|2,0,0]=4 8666 B12R1.50 COC(C)Sc1cc(ncn1)C 62a_100000744208_100009879195 [0,2,0,0,0,0|2,0,0]=4 8667 B12R1.50 COC(C)Sc1cc(ncn1)C 62a_100009879195_100000744208 [0,2,0,0,0,0|2,0,0]=4 8668 B12R1.50 COC(C)Sc1cc(ncn1)Cl 62a_100009879195_100010161198 [0,2,0,0,0,0|2,0,0]=4 8669 B12R1.50 COC(C)Sc1cc(ncn1)Cl 62a_100010161198_100009879195 [0,2,0,0,0,0|2,0,0]=4 8670 B12R1.50 COC(C)Sc1cc(ncn1)F 62a_100009879195_200009880791 [0,2,0,0,0,0|2,0,0]=4 8671 B12R1.50 COC(C)Sc1cc(ncn1)F 62a_200009880791_100009879195 [0,2,0,0,0,0|2,0,0]=4 8672 B12R1.50 COC(C)Sc1cc(ncn1)N 62a_100000701291_100009879195 [0,2,0,0,0,0|2,0,0]=4 8673 B12R1.50 COC(C)Sc1cc(ncn1)N 62a_100009879195_100000701291 [0,2,0,0,0,0|2,0,0]=4 8674 B12R1.50 COC(C)Sc1cc(ncn1)O 62a_100009879195_100000765262 [0,2,0,0,0,0|2,0,0]=4 8675 B12R1.50 COC(C)Sc1cc[nH]c(=O)n1 62a_100009879195_200000134032 [0,2,0,0,0,0|2,0,0]=4 8676 B12R1.50 COC(C)Sc1cccc(=O)[nH]1 62a_100009879195_100000752884 [0,2,0,0,0,0|1,0,1]=4 8677 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100000691529_100009879195 [0,2,0,0,0,0|2,0,0]=4 8678 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100009879195_100000691529 [0,2,0,0,0,0|2,0,0]=4 8679 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [0,2,0,0,0,0|2,0,0]=4 8680 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [0,2,0,0,0,0|2,0,0]=4 8681 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100000699651_100009879195 [0,2,0,0,0,0|2,0,0]=4 8682 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100009879195_100000699651 [0,2,0,0,0,0|2,0,0]=4 8683 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100000685547_100009879195 [0,2,0,0,0,0|2,0,0]=4 8684 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100009879195_100000685547 [0,2,0,0,0,0|2,0,0]=4 8685 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [0,2,0,0,0,0|2,0,0]=4 8686 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [0,2,0,0,0,0|2,0,0]=4 8687 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [0,2,0,0,0,0|2,0,0]=4 8688 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_100009879195_114929384022 [0,2,0,0,0,0|2,0,0]=4 8689 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_114929384022_100009879195 [0,2,0,0,0,0|2,0,0]=4 8690 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100000684672_100009879195 [0,2,0,0,0,0|1,0,0]=3 8691 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100009879195_100000684672 [0,2,0,0,0,0|1,0,0]=3 8692 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100000742759_100009879195 [0,2,0,0,0,0|1,0,0]=3 8693 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100009879195_100000742759 [0,2,0,0,0,0|1,0,0]=3 8694 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100000051397_100009879195 [0,2,0,0,0,0|1,0,0]=3 8695 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100009879195_100000051397 [0,2,0,0,0,0|1,0,0]=3 8696 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009815982_100009879195 [0,2,0,0,0,0|1,0,0]=3 8697 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009879195_100009815982 [0,2,0,0,0,0|1,0,0]=3 8698 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100000740741_100009879195 [0,2,0,0,0,0|1,0,0]=3 8699 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100009879195_100000740741 [0,2,0,0,0,0|1,0,0]=3 8700 B12R1.50 COC(C)Sc1ccnc(n1)C 62a_100000749937_100009879195 [0,2,0,0,0,0|2,0,0]=4 8701 B12R1.50 COC(C)Sc1ccnc(n1)C 62a_100009879195_100000749937 [0,2,0,0,0,0|2,0,0]=4 8702 B12R1.50 COC(C)Sc1ccnc(n1)Cl 62a_100009879195_100010154678 [0,2,0,0,0,0|2,0,0]=4 8703 B12R1.50 COC(C)Sc1ccnc(n1)Cl 62a_100010154678_100009879195 [0,2,0,0,0,0|2,0,0]=4 8704 B12R1.50 COC(C)Sc1ccnc(n1)N 62a_100000055538_100009879195 [0,2,0,0,0,0|2,0,0]=4 8705 B12R1.50 COC(C)Sc1ccnc(n1)N 62a_100009879195_100000055538 [0,2,0,0,0,0|2,0,0]=4 8706 B12R1.50 COC(C)Sc1cncc(n1)C 62a_100000754123_100009879195 [0,2,0,0,0,0|2,0,0]=4 8707 B12R1.50 COC(C)Sc1cncc(n1)C 62a_100009879195_100000754123 [0,2,0,0,0,0|2,0,0]=4 8708 B12R1.50 COC(C)Sc1cncc(n1)Cl 62a_100009879195_100010892449 [0,2,0,0,0,0|2,0,0]=4 8709 B12R1.50 COC(C)Sc1cncc(n1)Cl 62a_100010892449_100009879195 [0,2,0,0,0,0|2,0,0]=4 8710 B12R1.50 COC(C)Sc1cncc(n1)F 62a_100009879195_200009863489 [0,2,0,0,0,0|2,0,0]=4 8711 B12R1.50 COC(C)Sc1cncc(n1)F 62a_200009863489_100009879195 [0,2,0,0,0,0|2,0,0]=4 8712 B12R1.50 COC(C)Sc1cncc(n1)N 62a_100000747728_100009879195 [0,2,0,0,0,0|2,0,0]=4 8713 B12R1.50 COC(C)Sc1cncc(n1)N 62a_100009879195_100000747728 [0,2,0,0,0,0|2,0,0]=4 8714 B12R1.50 COC(C)Sc1cncc(n1)O 62a_100009879195_100011269956 [0,2,0,0,0,0|2,0,0]=4 8715 B12R1.50 COC(C)Sc1nccc(n1)C 62a_100009879195_100011243806 [0,2,0,0,0,0|2,0,0]=4 8716 B12R1.50 COC(C)Sc1nccc(n1)C 62a_100011243806_100009879195 [0,2,0,0,0,0|2,0,0]=4 8717 B12R1.50 COC(C)Sc1nccc(n1)N 62a_100000757536_100009879195 [0,2,0,0,0,0|2,0,0]=4 8718 B12R1.50 COC(C)Sc1nccc(n1)N 62a_100009879195_100000757536 [0,2,0,0,0,0|2,0,0]=4 8719 B12R1.50 COC(C)Sc1nccc(n1)O 62a_100009879195_100011649813 [0,2,0,0,0,0|2,0,0]=4 8720 B12R1.50 C[C@H](CF)Nc1c[n+](ccn1)[O-] 27a_100102880703_100009880115 [0,2,0,0,0,0|2,0,0]=4 8721 B12R1.50 C[C@H](CF)Nc1cc(ccn1)F 27a_100102880703_100000764206 [0,2,0,0,0,0|1,0,0]=3 8722 B12R1.50 C[C@H](CF)Nc1cc(ncn1)F 27a_100102880703_200009880791 [0,2,0,0,0,0|2,0,0]=4 8723 B12R1.50 C[C@H](CF)Nc1cc(ncn1)N 27a_100102880703_100000701291 [0,2,0,0,0,0|2,0,0]=4 8724 B12R1.50 C[C@H](CF)Nc1cc(ncn1)O 27a_100102880703_100000765262 [0,2,0,0,0,0|2,0,0]=4 8725 B12R1.50 C[C@H](CF)Nc1cc[nH]c(=O)n1 27a_100102880703_200000134032 [0,2,0,0,0,0|2,0,0]=4 8726 B12R1.50 C[C@H](CF)Nc1cccc(n1)F 27a_100102880703_100009815982 [0,2,0,0,0,0|1,0,0]=3 8727 B12R1.50 C[C@H](CF)Nc1ccnc(n1)N 27a_100102880703_100000055538 [0,2,0,0,0,0|2,0,0]=4 8728 B12R1.50 C[C@H](CF)Nc1cncc(n1)Cl 27a_100102880703_100010892449 [0,2,0,0,0,0|2,0,0]=4 8729 B12R1.50 C[C@H](CF)Nc1cncc(n1)F 27a_100102880703_200009863489 [0,2,0,0,0,0|2,0,0]=4 8730 B12R1.50 C[C@H](CF)Nc1nccc(n1)N 27a_100102880703_100000757536 [0,2,0,0,0,0|2,0,0]=4 8731 B12R1.50 C[C@H](CF)Nc1nccc(n1)O 27a_100102880703_100011649813 [0,2,0,0,0,0|2,0,0]=4 8732 B12R1.50 C[C@H](CO)Nc1c[n+](ccn1)[O-] 27a_100000737577_100009880115 [0,2,0,0,0,0|2,0,0]=4 8733 B12R1.50 C[C@H](CO)Nc1cc(ccn1)F 27a_100000737577_100000764206 [0,2,0,0,0,0|1,0,0]=3 8734 B12R1.50 C[C@H](CO)Nc1cc(ncn1)F 27a_100000737577_200009880791 [0,2,0,0,0,0|2,0,0]=4 8735 B12R1.50 C[C@H](CO)Nc1cc(ncn1)N 27a_100000737577_100000701291 [0,2,0,0,0,0|2,0,0]=4 8736 B12R1.50 C[C@H](CO)Nc1cc(ncn1)O 27a_100000737577_100000765262 [0,2,0,0,0,0|2,0,0]=4 8737 B12R1.50 C[C@H](CO)Nc1cc[nH]c(=O)n1 27a_100000737577_200000134032 [0,2,0,0,0,0|2,0,0]=4 8738 B12R1.50 C[C@H](CO)Nc1cccc(n1)F 27a_100000737577_100009815982 [0,2,0,0,0,0|1,0,0]=3 8739 B12R1.50 C[C@H](CO)Nc1ccnc(n1)N 27a_100000737577_100000055538 [0,2,0,0,0,0|2,0,0]=4 8740 B12R1.50 C[C@H](CO)Nc1cncc(n1)Cl 27a_100000737577_100010892449 [0,2,0,0,0,0|2,0,0]=4 8741 B12R1.50 C[C@H](CO)Nc1cncc(n1)F 27a_100000737577_200009863489 [0,2,0,0,0,0|2,0,0]=4 8742 B12R1.50 C[C@H](CO)Nc1nccc(n1)N 27a_100000737577_100000757536 [0,2,0,0,0,0|2,0,0]=4 8743 B12R1.50 C[C@H](CO)Nc1nccc(n1)O 27a_100000737577_100011649813 [0,2,0,0,0,0|2,0,0]=4 8744 B12R1.50 C[C@H](CO)Sc1c[n+](ccn1)[O-] 62a_100016084084_100009880115 [0,2,0,0,0,0|2,0,0]=4 8745 B12R1.50 C[C@H](CO)Sc1cc(=O)[nH]cn1 62a_100012002517_100016084084 [0,2,0,0,0,0|2,0,0]=4 8746 B12R1.50 C[C@H](CO)Sc1cc(=O)cc[nH]1 62a_100009817434_100016084084 [0,2,0,0,0,0|1,0,1]=4 8747 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100010167805_100016084084 [0,2,0,0,0,0|1,0,0]=3 8748 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100016084084_100010167805 [0,2,0,0,0,0|1,0,0]=3 8749 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100000764206_100016084084 [0,2,0,0,0,0|1,0,0]=3 8750 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100016084084_100000764206 [0,2,0,0,0,0|1,0,0]=3 8751 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100009814236_100016084084 [0,2,0,0,0,0|1,0,0]=3 8752 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100016084084_100009814236 [0,2,0,0,0,0|1,0,0]=3 8753 B12R1.50 C[C@H](CO)Sc1cc(ccn1)O 62a_100016084084_100000762945 [0,2,0,0,0,0|1,0,0]=3 8754 B12R1.50 C[C@H](CO)Sc1cc(cnn1)N 62a_100011996757_100016084084 [0,2,0,0,0,0|2,0,0]=4 8755 B12R1.50 C[C@H](CO)Sc1cc(cnn1)N 62a_100016084084_100011996757 [0,2,0,0,0,0|2,0,0]=4 8756 B12R1.50 C[C@H](CO)Sc1cc(cnn1)O 62a_100016084084_200010734679 [0,2,0,0,0,0|2,0,0]=4 8757 B12R1.50 C[C@H](CO)Sc1cc(ncn1)Cl 62a_100010161198_100016084084 [0,2,0,0,0,0|2,0,0]=4 8758 B12R1.50 C[C@H](CO)Sc1cc(ncn1)Cl 62a_100016084084_100010161198 [0,2,0,0,0,0|2,0,0]=4 8759 B12R1.50 C[C@H](CO)Sc1cc(ncn1)F 62a_100016084084_200009880791 [0,2,0,0,0,0|2,0,0]=4 8760 B12R1.50 C[C@H](CO)Sc1cc(ncn1)F 62a_200009880791_100016084084 [0,2,0,0,0,0|2,0,0]=4 8761 B12R1.50 C[C@H](CO)Sc1cc(ncn1)N 62a_100000701291_100016084084 [0,2,0,0,0,0|2,0,0]=4 8762 B12R1.50 C[C@H](CO)Sc1cc(ncn1)N 62a_100016084084_100000701291 [0,2,0,0,0,0|2,0,0]=4 8763 B12R1.50 C[C@H](CO)Sc1cc(ncn1)O 62a_100016084084_100000765262 [0,2,0,0,0,0|2,0,0]=4 8764 B12R1.50 C[C@H](CO)Sc1cc[nH]c(=O)n1 62a_100016084084_200000134032 [0,2,0,0,0,0|2,0,0]=4 8765 B12R1.50 C[C@H](CO)Sc1cccc(=O)[nH]1 62a_100016084084_100000752884 [0,2,0,0,0,0|1,0,1]=4 8766 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100000691529_100016084084 [0,2,0,0,0,0|2,0,0]=4 8767 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100016084084_100000691529 [0,2,0,0,0,0|2,0,0]=4 8768 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100000699651_100016084084 [0,2,0,0,0,0|2,0,0]=4 8769 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100016084084_100000699651 [0,2,0,0,0,0|2,0,0]=4 8770 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100000685547_100016084084 [0,2,0,0,0,0|2,0,0]=4 8771 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100016084084_100000685547 [0,2,0,0,0,0|2,0,0]=4 8772 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100000210019_100016084084 [0,2,0,0,0,0|2,0,0]=4 8773 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100016084084_100000210019 [0,2,0,0,0,0|2,0,0]=4 8774 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [0,2,0,0,0,0|2,0,0]=4 8775 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_100016084084_114929384022 [0,2,0,0,0,0|2,0,0]=4 8776 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_114929384022_100016084084 [0,2,0,0,0,0|2,0,0]=4 8777 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100000684672_100016084084 [0,2,0,0,0,0|1,0,0]=3 8778 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100016084084_100000684672 [0,2,0,0,0,0|1,0,0]=3 8779 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100000051397_100016084084 [0,2,0,0,0,0|1,0,0]=3 8780 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100016084084_100000051397 [0,2,0,0,0,0|1,0,0]=3 8781 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100009815982_100016084084 [0,2,0,0,0,0|1,0,0]=3 8782 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100016084084_100009815982 [0,2,0,0,0,0|1,0,0]=3 8783 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100000740741_100016084084 [0,2,0,0,0,0|1,0,0]=3 8784 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100016084084_100000740741 [0,2,0,0,0,0|1,0,0]=3 8785 B12R1.50 C[C@H](CO)Sc1ccnc(n1)Cl 62a_100010154678_100016084084 [0,2,0,0,0,0|2,0,0]=4 8786 B12R1.50 C[C@H](CO)Sc1ccnc(n1)Cl 62a_100016084084_100010154678 [0,2,0,0,0,0|2,0,0]=4 8787 B12R1.50 C[C@H](CO)Sc1ccnc(n1)N 62a_100000055538_100016084084 [0,2,0,0,0,0|2,0,0]=4 8788 B12R1.50 C[C@H](CO)Sc1ccnc(n1)N 62a_100016084084_100000055538 [0,2,0,0,0,0|2,0,0]=4 8789 B12R1.50 C[C@H](CO)Sc1cncc(n1)Cl 62a_100010892449_100016084084 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.50 C[C@H](CO)Sc1cncc(n1)Cl 62a_100016084084_100010892449 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.50 C[C@H](CO)Sc1cncc(n1)F 62a_100016084084_200009863489 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.50 C[C@H](CO)Sc1cncc(n1)F 62a_200009863489_100016084084 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.50 C[C@H](CO)Sc1cncc(n1)N 62a_100000747728_100016084084 [0,2,0,0,0,0|2,0,0]=4 8794 B12R1.50 C[C@H](CO)Sc1cncc(n1)N 62a_100016084084_100000747728 [0,2,0,0,0,0|2,0,0]=4 8795 B12R1.50 C[C@H](CO)Sc1cncc(n1)O 62a_100016084084_100011269956 [0,2,0,0,0,0|2,0,0]=4 8796 B12R1.50 C[C@H](CO)Sc1nccc(n1)N 62a_100000757536_100016084084 [0,2,0,0,0,0|2,0,0]=4 8797 B12R1.50 C[C@H](CO)Sc1nccc(n1)N 62a_100016084084_100000757536 [0,2,0,0,0,0|2,0,0]=4 8798 B12R1.50 C[C@H](CO)Sc1nccc(n1)O 62a_100016084084_100011649813 [0,2,0,0,0,0|2,0,0]=4 8799 B12R1.50 Cc1cc(ncn1)N[C@H](C)CF 27a_100102880703_100000744208 [0,2,0,0,0,0|2,0,0]=4 8800 B12R1.50 Cc1cc(ncn1)N[C@H](C)CO 27a_100000737577_100000744208 [0,2,0,0,0,0|2,0,0]=4 8801 B12R1.50 Cc1cc(ncn1)SC(C)CO 62a_100012180447_100000744208 [0,2,0,0,0,0|2,0,0]=4 8802 B12R1.50 Cc1cc(ncn1)S[C@H](C)CO 62a_100000744208_100016084084 [0,2,0,0,0,0|2,0,0]=4 8803 B12R1.50 Cc1cc(ncn1)S[C@H](C)CO 62a_100016084084_100000744208 [0,2,0,0,0,0|2,0,0]=4 8804 B12R1.50 Cc1cccc(c1)CN(C)CF 269982a_102495364743_100015361967 [0,2,0,0,0,0|2,0,0]=4 8805 B12R1.50 Cc1cccc(c1)CN(C)CF 34a_102495364743_100015361967 [0,2,0,0,0,0|2,0,0]=4 8806 B12R1.50 Cc1cccc(c1)NC(C)CO 2230a_100000188690_100012180447 [0,2,0,0,0,0|2,0,0]=4 8807 B12R1.50 Cc1cccc(c1)NC(C)CO 34a_100000188690_100012180447 [0,2,0,0,0,0|2,0,0]=4 8808 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,2,0,0,0,0|2,0,0]=4 8809 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,2,0,0,0,0|2,0,0]=4 8810 B12R1.50 Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215228 [0,2,0,0,0,0|2,0,0]=4 8811 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100011215228_100016084084 [0,2,0,0,0,0|2,0,0]=4 8812 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215228 [0,2,0,0,0,0|2,0,0]=4 8813 B12R1.50 Cc1cccc(n1)CC(=O)CF 1458a_100012001110_100015361967 [0,2,0,0,0,0|1,0,1]=4 8814 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,2,0,0,0,0|1,0,1]=4 8815 B12R1.50 Cc1cccc(n1)CC(C)O[13CH3] 34a_200015421231_200025704644 [0,2,0,0,0,0|0,0,0]=2 8816 B12R1.50 Cc1cccc(n1)CN(C)CF 269982a_100000687132_100015361967 [0,2,0,0,0,0|1,0,0]=3 8817 B12R1.50 Cc1cccc(n1)SC(C)C#N 62a_100000703298_100000742759 [0,2,0,0,0,0|1,0,1]=4 8818 B12R1.50 Cc1cccc(n1)SC(C)C#N 62a_100000742759_100000703298 [0,2,0,0,0,0|1,0,1]=4 8819 B12R1.50 Cc1cccc(n1)SC(C)CO 62a_100012180447_100000742759 [0,2,0,0,0,0|1,0,0]=3 8820 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100000742759_100016084084 [0,2,0,0,0,0|1,0,0]=3 8821 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100016084084_100000742759 [0,2,0,0,0,0|1,0,0]=3 8822 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,2,0,0,0,0|1,0,1]=4 8823 B12R1.50 Cc1ccnc(c1)CN(C)CF 269982a_106354213154_100015361967 [0,2,0,0,0,0|1,0,0]=3 8824 B12R1.50 Cc1ccnc(c1)SC(C)C#N 62a_100000703298_100000750283 [0,2,0,0,0,0|1,0,1]=4 8825 B12R1.50 Cc1ccnc(c1)SC(C)C#N 62a_100000750283_100000703298 [0,2,0,0,0,0|1,0,1]=4 8826 B12R1.50 Cc1ccnc(c1)SC(C)CO 62a_100012180447_100000750283 [0,2,0,0,0,0|1,0,0]=3 8827 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100000750283_100016084084 [0,2,0,0,0,0|1,0,0]=3 8828 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100016084084_100000750283 [0,2,0,0,0,0|1,0,0]=3 8829 B12R1.50 Cc1ccnc(n1)N[C@H](C)CF 27a_100102880703_100000750684 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.50 Cc1ccnc(n1)N[C@H](C)CO 27a_100000737577_100000750684 [0,2,0,0,0,0|2,0,0]=4 8831 B12R1.50 Cc1ccnc(n1)SC(C)CO 62a_100012180447_100011243806 [0,2,0,0,0,0|2,0,0]=4 8832 B12R1.50 Cc1ccnc(n1)S[C@H](C)CO 62a_100011243806_100016084084 [0,2,0,0,0,0|2,0,0]=4 8833 B12R1.50 Cc1ccnc(n1)S[C@H](C)CO 62a_100016084084_100011243806 [0,2,0,0,0,0|2,0,0]=4 8834 B12R1.50 Cc1cncc(n1)N[C@H](C)CF 27a_100102880703_100000754123 [0,2,0,0,0,0|2,0,0]=4 8835 B12R1.50 Cc1cncc(n1)N[C@H](C)CO 27a_100000737577_100000754123 [0,2,0,0,0,0|2,0,0]=4 8836 B12R1.50 Cc1cncc(n1)SC(C)CO 62a_100012180447_100000754123 [0,2,0,0,0,0|2,0,0]=4 8837 B12R1.50 Cc1cncc(n1)S[C@H](C)CO 62a_100000754123_100016084084 [0,2,0,0,0,0|2,0,0]=4 8838 B12R1.50 Cc1cncc(n1)S[C@H](C)CO 62a_100016084084_100000754123 [0,2,0,0,0,0|2,0,0]=4 8839 B12R1.50 Cc1cnnc(c1)N[C@H](C)CF 27a_100102880703_100000070100 [0,2,0,0,0,0|2,0,0]=4 8840 B12R1.50 Cc1cnnc(c1)N[C@H](C)CO 27a_100000737577_100000070100 [0,2,0,0,0,0|2,0,0]=4 8841 B12R1.50 Cc1cnnc(c1)OC(C)CO 34a_100000766097_100012180447 [0,2,0,0,0,0|2,0,0]=4 8842 B12R1.50 Cc1cnnc(c1)SC(C)CO 62a_100012180447_100000070100 [0,2,0,0,0,0|2,0,0]=4 8843 B12R1.50 Cc1cnnc(c1)S[C@H](C)CO 62a_100000070100_100016084084 [0,2,0,0,0,0|2,0,0]=4 8844 B12R1.50 Cc1cnnc(c1)S[C@H](C)CO 62a_100016084084_100000070100 [0,2,0,0,0,0|2,0,0]=4 8845 B12R1.50 Cc1nccc(n1)N[C@H](C)CF 27a_100102880703_100000749937 [0,2,0,0,0,0|2,0,0]=4 8846 B12R1.50 Cc1nccc(n1)N[C@H](C)CO 27a_100000737577_100000749937 [0,2,0,0,0,0|2,0,0]=4 8847 B12R1.50 Cc1nccc(n1)SC(C)CO 62a_100012180447_100000749937 [0,2,0,0,0,0|2,0,0]=4 8848 B12R1.50 Cc1nccc(n1)S[C@H](C)CO 62a_100000749937_100016084084 [0,2,0,0,0,0|2,0,0]=4 8849 B12R1.50 Cc1nccc(n1)S[C@H](C)CO 62a_100016084084_100000749937 [0,2,0,0,0,0|2,0,0]=4 8850 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,2,0,0,0,0|2,0,0]=4 8851 B12R1.50 O=C(CF)Cc1cccc(n1)Br 1458a_100010201708_100015361967 [0,2,0,0,0,0|1,0,1]=4 8852 B12R1.50 O=C(CF)Cc1cccc(n1)Cl 1458a_100000090259_100015361967 [0,2,0,0,0,0|1,0,1]=4 8853 B12R1.50 O=C(CF)Cc1cccc(n1)F 1458a_100000096803_100015361967 [0,2,0,0,0,0|1,0,1]=4 8854 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,2,0,0,0,0|1,0,1]=4 8855 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,2,0,0,0,0|1,0,1]=4 8856 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,2,0,0,0,0|1,0,1]=4 8857 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,2,0,0,0,0|1,0,1]=4 8858 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,2,0,0,0,0|1,0,1]=4 8859 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,2,0,0,0,0|1,0,1]=4 8860 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,2,0,0,0,0|1,0,1]=4 8861 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,2,0,0,0,0|1,0,1]=4 8862 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,2,0,0,0,0|1,0,1]=4 8863 B12R1.118 CCC(CC)Nc1cccnn1 27a_100000199018_100016991348 [0,2,0,0,0,0|2,0,0]=4 8864 B12R1.118 CCC(CC)Nc1ccncn1 27a_100000199018_100000703185 [0,2,0,0,0,0|2,0,0]=4 8865 B12R1.118 CCC(CC)Nc1cnccn1 27a_100000199018_100000211759 [0,2,0,0,0,0|2,0,0]=4 8866 B12R1.118 CCC(CC)Nc1ncccn1 27a_100000199018_100000211032 [0,2,0,0,0,0|2,0,0]=4 8867 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,2,0,0,0,0|2,0,0]=4 8868 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,2,0,0,0,0|2,0,0]=4 8869 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,2,0,0,0,0|2,0,0]=4 8870 B12R1.118 CCC(CC)Sc1ccccn1 62a_100000210505_100011216584 [0,2,0,0,0,0|1,0,0]=3 8871 B12R1.118 CCC(CC)Sc1ccccn1 62a_100011216584_100000210505 [0,2,0,0,0,0|1,0,0]=3 8872 B12R1.118 CCC(CC)Sc1cccnn1 62a_100000210505_100016991348 [0,2,0,0,0,0|2,0,0]=4 8873 B12R1.118 CCC(CC)Sc1cccnn1 62a_100016991348_100000210505 [0,2,0,0,0,0|2,0,0]=4 8874 B12R1.118 CCC(CC)Sc1ccncn1 62a_100000210505_100000703185 [0,2,0,0,0,0|2,0,0]=4 8875 B12R1.118 CCC(CC)Sc1ccncn1 62a_100000703185_100000210505 [0,2,0,0,0,0|2,0,0]=4 8876 B12R1.118 CCC(CC)Sc1cnccn1 62a_100000210505_100000211759 [0,2,0,0,0,0|2,0,0]=4 8877 B12R1.118 CCC(CC)Sc1cnccn1 62a_100000211759_100000210505 [0,2,0,0,0,0|2,0,0]=4 8878 B12R1.118 CCC(CC)Sc1ncccn1 62a_100000210505_100000211032 [0,2,0,0,0,0|2,0,0]=4 8879 B12R1.118 CCC(CC)Sc1ncccn1 62a_100000211032_100000210505 [0,2,0,0,0,0|2,0,0]=4 8880 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,2,0,0,0,0|1,0,0]=3 8881 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,2,0,0,0,0|1,0,0]=3 8882 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,2,0,0,0,0|1,0,0]=3 8883 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,2,0,0,0,0|2,0,0]=4 8884 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,2,0,0,0,0|2,0,0]=4 8885 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,2,0,0,0,0|2,0,0]=4 8886 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,2,0,0,0,0|2,0,0]=4 8887 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,2,0,0,0,0|2,0,0]=4 8888 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,2,0,0,0,0|2,0,0]=4 8889 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000201164_100000210202 [0,2,0,0,0,0|1,0,0]=3 8890 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000724800_100000721315 [0,2,0,0,0,0|1,0,0]=3 8891 B12R1.118 CCN(CC)Cc1ccccn1 269956a_100000042499_100000721315 [0,2,0,0,0,0|1,0,0]=3 8892 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000201164_100000204670 [0,2,0,0,0,0|1,0,0]=3 8893 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000724800_100000721315 [0,2,0,0,0,0|1,0,0]=3 8894 B12R1.118 CCN(CC)Cc1ccccn1 270004a_100000724800_100000209966 [0,2,0,0,0,0|1,0,0]=3 8895 B12R1.118 CCN(CC)Cc1cccnn1 2230a_100000724800_100016990269 [0,2,0,0,0,0|2,0,0]=4 8896 B12R1.118 CCN(CC)Cc1cccnn1 269956a_100000042499_100016990269 [0,2,0,0,0,0|2,0,0]=4 8897 B12R1.118 CCN(CC)Cc1cnccn1 2230a_100000724800_100016995436 [0,2,0,0,0,0|2,0,0]=4 8898 B12R1.118 CCN(CC)Cc1cnccn1 269956a_100000042499_100016995436 [0,2,0,0,0,0|2,0,0]=4 8899 B12R1.118 CCN(CC)Cc1cnccn1 269982a_100000724800_100016995436 [0,2,0,0,0,0|2,0,0]=4 8900 B12R1.118 CCN(CC)Cc1cnccn1 270004a_100000724800_100000749867 [0,2,0,0,0,0|2,0,0]=4 8901 B12R1.118 CCN(CC)Cc1ncccn1 2230a_100000724800_100000703007 [0,2,0,0,0,0|2,0,0]=4 8902 B12R1.118 CCN(CC)Cc1ncccn1 269956a_100000042499_100000703007 [0,2,0,0,0,0|2,0,0]=4 8903 B12R1.118 CCN(CC)Cc1ncccn1 269982a_100000724800_100000703007 [0,2,0,0,0,0|2,0,0]=4 8904 B12R1.118 CCN(CC)Cc1ncccn1 270004a_100000724800_100011532527 [0,2,0,0,0,0|2,0,0]=4 8905 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [0,2,0,0,0,0|2,0,0]=4 8906 B12R1.118 CCN(CF)Cc1ccccn1 269982a_100000201164_100015361967 [0,2,0,0,0,0|1,0,0]=3 8907 B12R1.118 CC[C@@H](CO)Nc1cccnn1 27a_100000709445_100016991348 [0,2,0,0,0,0|2,0,0]=4 8908 B12R1.118 CC[C@@H](CO)Nc1ccncn1 27a_100000709445_100000703185 [0,2,0,0,0,0|2,0,0]=4 8909 B12R1.118 CC[C@@H](CO)Nc1cnccn1 27a_100000709445_100000211759 [0,2,0,0,0,0|2,0,0]=4 8910 B12R1.118 CC[C@@H](CO)Nc1ncccn1 27a_100000709445_100000211032 [0,2,0,0,0,0|2,0,0]=4 8911 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,2,0,0,0,0|1,0,1]=4 8912 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,2,0,0,0,0|1,0,1]=4 8913 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,2,0,0,0,0|1,0,0]=3 8914 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,2,0,0,0,0|2,0,0]=4 8915 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,2,0,0,0,0|2,0,0]=4 8916 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,2,0,0,0,0|1,0,0]=3 8917 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,2,0,0,0,0|1,0,0]=3 8918 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,2,0,0,0,0|1,0,1]=4 8919 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,2,0,0,0,0|1,0,1]=4 8920 B12R1.118 OCC(CO)Nc1cccnn1 27a_100000759517_100016991348 [0,2,0,0,0,0|2,0,0]=4 8921 B12R1.118 OCC(CO)Nc1ccncn1 27a_100000759517_100000703185 [0,2,0,0,0,0|2,0,0]=4 8922 B12R1.118 OCC(CO)Nc1cnccn1 27a_100000759517_100000211759 [0,2,0,0,0,0|2,0,0]=4 8923 B12R1.118 OCC(CO)Nc1ncccn1 27a_100000759517_100000211032 [0,2,0,0,0,0|2,0,0]=4 8924 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,2,0,0,0,0|1,0,1]=4 8925 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,2,0,0,0,0|1,0,0]=3 8926 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,2,0,0,0,0|2,0,0]=4 8927 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,2,0,0,0,0|2,0,0]=4 8928 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,2,0,0,0,0|1,0,0]=3 8929 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,2,0,0,0,0|1,0,0]=3 8930 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,2,0,0,0,0|1,0,1]=4 8931 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,2,0,0,0,0|1,0,1]=4 8932 B12R1.194 C#CC(C)(C)Nc1ccccc1 34a_100000106764_100000038118 [0,2,0,0,0,0|2,0,0]=4 8933 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,2,0,0,0,0|2,0,0]=4 8934 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000038118_100000041952 [0,2,0,0,0,0|2,0,0]=4 8935 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000719477_100000038118 [0,2,0,0,0,0|2,0,0]=4 8936 B12R1.194 C#CC(C)(C)Sc1ccccn1 62a_100000038118_100011216584 [0,2,0,0,0,0|1,0,0]=3 8937 B12R1.194 C#CC(C)(C)Sc1ccccn1 62a_100011216584_100000038118 [0,2,0,0,0,0|1,0,0]=3 8938 B12R1.194 C#CC(C)(C)Sc1cccnn1 62a_100000038118_100016991348 [0,2,0,0,0,0|2,0,0]=4 8939 B12R1.194 C#CC(C)(C)Sc1cccnn1 62a_100016991348_100000038118 [0,2,0,0,0,0|2,0,0]=4 8940 B12R1.194 C#CC(C)(C)Sc1ccncn1 62a_100000038118_100000703185 [0,2,0,0,0,0|2,0,0]=4 8941 B12R1.194 C#CC(C)(C)Sc1ccncn1 62a_100000703185_100000038118 [0,2,0,0,0,0|2,0,0]=4 8942 B12R1.194 C#CC(C)(C)Sc1cnccn1 62a_100000038118_100000211759 [0,2,0,0,0,0|2,0,0]=4 8943 B12R1.194 C#CC(C)(C)Sc1cnccn1 62a_100000211759_100000038118 [0,2,0,0,0,0|2,0,0]=4 8944 B12R1.194 C#CC(C)(C)Sc1ncccn1 62a_100000038118_100000211032 [0,2,0,0,0,0|2,0,0]=4 8945 B12R1.194 C#CC(C)(C)Sc1ncccn1 62a_100000211032_100000038118 [0,2,0,0,0,0|2,0,0]=4 8946 B12R1.194 CC(C)(C#N)Nc1ccccc1 34a_100000106764_100011162410 [0,2,0,0,0,0|2,0,0]=4 8947 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,2,0,0,0,0|2,0,0]=4 8948 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,2,0,0,0,0|2,0,0]=4 8949 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100000719477_100011162410 [0,2,0,0,0,0|2,0,0]=4 8950 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100011162410_100000041952 [0,2,0,0,0,0|2,0,0]=4 8951 B12R1.194 CC(C)(C#N)Sc1ccccn1 62a_100011162410_100011216584 [0,2,0,0,0,0|1,0,0]=3 8952 B12R1.194 CC(C)(C#N)Sc1ccccn1 62a_100011216584_100011162410 [0,2,0,0,0,0|1,0,0]=3 8953 B12R1.194 CC(C)(C#N)Sc1cccnn1 62a_100011162410_100016991348 [0,2,0,0,0,0|2,0,0]=4 8954 B12R1.194 CC(C)(C#N)Sc1cccnn1 62a_100016991348_100011162410 [0,2,0,0,0,0|2,0,0]=4 8955 B12R1.194 CC(C)(C#N)Sc1ccncn1 62a_100000703185_100011162410 [0,2,0,0,0,0|2,0,0]=4 8956 B12R1.194 CC(C)(C#N)Sc1ccncn1 62a_100011162410_100000703185 [0,2,0,0,0,0|2,0,0]=4 8957 B12R1.194 CC(C)(C#N)Sc1cnccn1 62a_100000211759_100011162410 [0,2,0,0,0,0|2,0,0]=4 8958 B12R1.194 CC(C)(C#N)Sc1cnccn1 62a_100011162410_100000211759 [0,2,0,0,0,0|2,0,0]=4 8959 B12R1.194 CC(C)(C#N)Sc1ncccn1 62a_100000211032_100011162410 [0,2,0,0,0,0|2,0,0]=4 8960 B12R1.194 CC(C)(C#N)Sc1ncccn1 62a_100011162410_100000211032 [0,2,0,0,0,0|2,0,0]=4 8961 B12R1.194 CC(C)(CO)Nc1cccnn1 27a_100000210608_100016991348 [0,2,0,0,0,0|2,0,0]=4 8962 B12R1.194 CC(C)(CO)Nc1ccncn1 27a_100000210608_100000703185 [0,2,0,0,0,0|2,0,0]=4 8963 B12R1.194 CC(C)(CO)Nc1cnccn1 27a_100000210608_100000211759 [0,2,0,0,0,0|2,0,0]=4 8964 B12R1.194 CC(C)(CO)Nc1ncccn1 27a_100000210608_100000211032 [0,2,0,0,0,0|2,0,0]=4 8965 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,2,0,0,0,0|1,0,0]=3 8966 B12R1.194 CCC(C)(C)Nc1cccnn1 27a_100000211385_100016991348 [0,2,0,0,0,0|2,0,0]=4 8967 B12R1.194 CCC(C)(C)Nc1ccncn1 27a_100000211385_100000703185 [0,2,0,0,0,0|2,0,0]=4 8968 B12R1.194 CCC(C)(C)Nc1cnccn1 27a_100000211385_100000211759 [0,2,0,0,0,0|2,0,0]=4 8969 B12R1.194 CCC(C)(C)Nc1ncccn1 27a_100000211385_100000211032 [0,2,0,0,0,0|2,0,0]=4 8970 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,2,0,0,0,0|2,0,0]=4 8971 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [0,2,0,0,0,0|2,0,0]=4 8972 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [0,2,0,0,0,0|2,0,0]=4 8973 B12R1.194 CCC(C)(C)Sc1ccccn1 62a_100000032637_100011216584 [0,2,0,0,0,0|1,0,0]=3 8974 B12R1.194 CCC(C)(C)Sc1ccccn1 62a_100011216584_100000032637 [0,2,0,0,0,0|1,0,0]=3 8975 B12R1.194 CCC(C)(C)Sc1cccnn1 62a_100000032637_100016991348 [0,2,0,0,0,0|2,0,0]=4 8976 B12R1.194 CCC(C)(C)Sc1cccnn1 62a_100016991348_100000032637 [0,2,0,0,0,0|2,0,0]=4 8977 B12R1.194 CCC(C)(C)Sc1ccncn1 62a_100000032637_100000703185 [0,2,0,0,0,0|2,0,0]=4 8978 B12R1.194 CCC(C)(C)Sc1ccncn1 62a_100000703185_100000032637 [0,2,0,0,0,0|2,0,0]=4 8979 B12R1.194 CCC(C)(C)Sc1cnccn1 62a_100000032637_100000211759 [0,2,0,0,0,0|2,0,0]=4 8980 B12R1.194 CCC(C)(C)Sc1cnccn1 62a_100000211759_100000032637 [0,2,0,0,0,0|2,0,0]=4 8981 B12R1.194 CCC(C)(C)Sc1ncccn1 62a_100000032637_100000211032 [0,2,0,0,0,0|2,0,0]=4 8982 B12R1.194 CCC(C)(C)Sc1ncccn1 62a_100000211032_100000032637 [0,2,0,0,0,0|2,0,0]=4 8983 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,2,0,0,0,0|1,0,0]=3 8984 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011216584_100011217949 [0,2,0,0,0,0|2,0,0]=4 8985 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011217949_100011216584 [0,2,0,0,0,0|2,0,0]=4 8986 B12R1.371 C#CC(C)Nc1ncccc1Br 27a_100000707721_100000696092 [0,2,0,0,0,0|1,0,1]=4 8987 B12R1.371 C#CC(C)Oc1ncccc1Cl 34a_100011290957_200000035995 [0,2,0,0,0,0|1,0,1]=4 8988 B12R1.371 C#CC(C)Oc1ncccc1F 34a_100011219419_200000035995 [0,2,0,0,0,0|1,0,1]=4 8989 B12R1.371 C#CC(C)Oc1ncccc1N 34a_100000746358_200000035995 [0,2,0,0,0,0|1,0,1]=4 8990 B12R1.371 C#CC(C)Sc1ncccc1Br 62a_200000035995_100000696092 [0,2,0,0,0,0|1,0,1]=4 8991 B12R1.371 C#CC(C)Sc1ncccc1C 62a_200000035995_100000751373 [0,2,0,0,0,0|1,0,1]=4 8992 B12R1.371 C#CC(C)Sc1ncccc1Cl 62a_200000035995_100011356963 [0,2,0,0,0,0|1,0,1]=4 8993 B12R1.371 C#CC(C)Sc1ncccc1F 62a_200000035995_100000685392 [0,2,0,0,0,0|1,0,1]=4 8994 B12R1.371 C#CC(C)Sc1ncccc1N 62a_200000035995_100000688686 [0,2,0,0,0,0|1,0,1]=4 8995 B12R1.371 C#CC(C)Sc1ncccc1O 62a_200000035995_100000034122 [0,2,0,0,0,0|1,0,1]=4 8996 B12R1.371 C=CC(C)Sc1ncccc1Br 62a_100011215867_100000696092 [0,2,0,0,0,0|1,0,1]=4 8997 B12R1.371 C=CC(C)Sc1ncccc1C 62a_100011215867_100000751373 [0,2,0,0,0,0|1,0,1]=4 8998 B12R1.371 C=CC(C)Sc1ncccc1Cl 62a_100011215867_100011356963 [0,2,0,0,0,0|1,0,1]=4 8999 B12R1.371 C=CC(C)Sc1ncccc1F 62a_100011215867_100000685392 [0,2,0,0,0,0|1,0,1]=4 9000 B12R1.371 C=CC(C)Sc1ncccc1N 62a_100011215867_100000688686 [0,2,0,0,0,0|1,0,1]=4 9001 B12R1.371 C=CC(C)Sc1ncccc1O 62a_100011215867_100000034122 [0,2,0,0,0,0|1,0,1]=4 9002 B12R1.371 CC(C#N)Sc1ncccc1Br 62a_100000696092_100000703298 [0,2,0,0,0,0|1,0,1]=4 9003 B12R1.371 CC(C#N)Sc1ncccc1Br 62a_100000703298_100000696092 [0,2,0,0,0,0|1,0,1]=4 9004 B12R1.371 CC(C#N)Sc1ncccc1Cl 62a_100000703298_100011356963 [0,2,0,0,0,0|1,0,1]=4 9005 B12R1.371 CC(C#N)Sc1ncccc1Cl 62a_100011356963_100000703298 [0,2,0,0,0,0|1,0,1]=4 9006 B12R1.371 CC(C#N)Sc1ncccc1F 62a_100000685392_100000703298 [0,2,0,0,0,0|1,0,1]=4 9007 B12R1.371 CC(C#N)Sc1ncccc1F 62a_100000703298_100000685392 [0,2,0,0,0,0|1,0,1]=4 9008 B12R1.371 CC(C#N)Sc1ncccc1N 62a_100000688686_100000703298 [0,2,0,0,0,0|1,0,1]=4 9009 B12R1.371 CC(C#N)Sc1ncccc1N 62a_100000703298_100000688686 [0,2,0,0,0,0|1,0,1]=4 9010 B12R1.371 CC(C#N)Sc1ncccc1O 62a_100000034122_100000703298 [0,2,0,0,0,0|1,0,1]=4 9011 B12R1.371 CC(C#N)Sc1ncccc1O 62a_100000703298_100000034122 [0,2,0,0,0,0|1,0,1]=4 9012 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,2,0,0,0,0|2,0,0]=4 9013 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,2,0,0,0,0|2,0,0]=4 9014 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,2,0,0,0,0|2,0,0]=4 9015 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,2,0,0,0,0|2,0,0]=4 9016 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,2,0,0,0,0|2,0,0]=4 9017 B12R1.371 CC(CO)Oc1cccc[n+]1[O-] 7a_100000211761_100012180447 [0,2,0,0,0,0|1,0,1]=4 9018 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,2,0,0,0,0|2,0,0]=4 9019 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,2,0,0,0,0|2,0,0]=4 9020 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,2,0,0,0,0|2,0,0]=4 9021 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,2,0,0,0,0|2,0,0]=4 9022 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,2,0,0,0,0|2,0,0]=4 9023 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,2,0,0,0,0|2,0,0]=4 9024 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,2,0,0,0,0|2,0,0]=4 9025 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,2,0,0,0,0|2,0,0]=4 9026 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,2,0,0,0,0|2,0,0]=4 9027 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,2,0,0,0,0|2,0,0]=4 9028 B12R1.371 CC(CO)Oc1ncccc1Cl 34a_100011290957_100012180447 [0,2,0,0,0,0|1,0,0]=3 9029 B12R1.371 CC(CO)Oc1ncccc1F 34a_100011219419_100012180447 [0,2,0,0,0,0|1,0,0]=3 9030 B12R1.371 CC(CO)Oc1ncccc1N 34a_100000746358_100012180447 [0,2,0,0,0,0|1,0,0]=3 9031 B12R1.371 CC(CO)Sc1cccc[n+]1C 62a_100012180447_100000212160 [0,2,0,0,0,0|1,0,1]=4 9032 B12R1.371 CC(CO)Sc1cccc[n+]1[O-] 62a_100012180447_200000042595 [0,2,0,0,0,0|1,0,1]=4 9033 B12R1.371 CC(CO)Sc1ccccc1Br 62a_100012180447_100000695589 [0,2,0,0,0,0|2,0,0]=4 9034 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,2,0,0,0,0|2,0,0]=4 9035 B12R1.371 CC(CO)Sc1ccccc1F 62a_100012180447_100011215700 [0,2,0,0,0,0|2,0,0]=4 9036 B12R1.371 CC(CO)Sc1ccccc1N 62a_100012180447_100000210017 [0,2,0,0,0,0|2,0,0]=4 9037 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,2,0,0,0,0|2,0,0]=4 9038 B12R1.371 CC(CO)Sc1ncc[nH]c1=O 62a_100012180447_100000763361 [0,2,0,0,0,0|2,0,0]=4 9039 B12R1.371 CC(CO)Sc1ncccc1Br 62a_100012180447_100000696092 [0,2,0,0,0,0|1,0,0]=3 9040 B12R1.371 CC(CO)Sc1ncccc1Cl 62a_100012180447_100011356963 [0,2,0,0,0,0|1,0,0]=3 9041 B12R1.371 CC(CO)Sc1ncccc1F 62a_100012180447_100000685392 [0,2,0,0,0,0|1,0,0]=3 9042 B12R1.371 CC(CO)Sc1ncccc1N 62a_100012180447_100000688686 [0,2,0,0,0,0|1,0,0]=3 9043 B12R1.371 CC(CO)Sc1ncccc1O 62a_100012180447_100000034122 [0,2,0,0,0,0|1,0,0]=3 9044 B12R1.371 CC(CO)Sc1nccnc1Cl 62a_100012180447_100010886584 [0,2,0,0,0,0|2,0,0]=4 9045 B12R1.371 CC(CO)Sc1nccnc1F 62a_100012180447_200010125657 [0,2,0,0,0,0|2,0,0]=4 9046 B12R1.371 CC(CO)Sc1nccnc1N 62a_100012180447_100000747729 [0,2,0,0,0,0|2,0,0]=4 9047 B12R1.371 CC(CO)Sc1ncncc1F 62a_100012180447_100000069762 [0,2,0,0,0,0|2,0,0]=4 9048 B12R1.371 CC(CO)Sc1ncncc1N 62a_100012180447_100000709731 [0,2,0,0,0,0|2,0,0]=4 9049 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,2,0,0,0,0|1,0,1]=4 9050 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,2,0,0,0,0|1,0,1]=4 9051 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,2,0,0,0,0|1,0,1]=4 9052 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,2,0,0,0,0|1,0,1]=4 9053 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,2,0,0,0,0|1,0,1]=4 9054 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,2,0,0,0,0|1,0,1]=4 9055 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,2,0,0,0,0|1,0,1]=4 9056 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,2,0,0,0,0|1,0,1]=4 9057 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,2,0,0,0,0|2,0,0]=4 9062 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,2,0,0,0,0|2,0,0]=4 9063 B12R1.371 CCC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000758301 [0,2,0,0,0,0|1,0,1]=4 9064 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,2,0,0,0,0|2,0,0]=4 9066 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,2,0,0,0,0|2,0,0]=4 9067 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,2,0,0,0,0|2,0,0]=4 9068 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,2,0,0,0,0|2,0,0]=4 9069 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,2,0,0,0,0|2,0,0]=4 9070 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,2,0,0,0,0|2,0,0]=4 9071 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,2,0,0,0,0|2,0,0]=4 9072 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,2,0,0,0,0|2,0,0]=4 9073 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,2,0,0,0,0|2,0,0]=4 9074 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,2,0,0,0,0|2,0,0]=4 9075 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,2,0,0,0,0|2,0,0]=4 9076 B12R1.371 CCC(C)Oc1ncccc1Cl 34a_100011290957_100011215416 [0,2,0,0,0,0|1,0,0]=3 9077 B12R1.371 CCC(C)Oc1ncccc1F 34a_100011219419_100011215416 [0,2,0,0,0,0|1,0,0]=3 9078 B12R1.371 CCC(C)Oc1ncccc1N 34a_100000746358_100011215416 [0,2,0,0,0,0|1,0,0]=3 9079 B12R1.371 CCC(C)Oc1nccnc1C 34a_100000766352_100011215416 [0,2,0,0,0,0|2,0,0]=4 9080 B12R1.371 CCC(C)Sc1cccc[n+]1C 62a_100000758301_100000212160 [0,2,0,0,0,0|1,0,1]=4 9081 B12R1.371 CCC(C)Sc1cccc[n+]1[O-] 62a_100000758301_200000042595 [0,2,0,0,0,0|1,0,1]=4 9082 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,2,0,0,0,0|2,0,0]=4 9083 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,2,0,0,0,0|2,0,0]=4 9084 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,2,0,0,0,0|2,0,0]=4 9086 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,2,0,0,0,0|2,0,0]=4 9087 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,2,0,0,0,0|2,0,0]=4 9088 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,2,0,0,0,0|2,0,0]=4 9089 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,2,0,0,0,0|2,0,0]=4 9090 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,2,0,0,0,0|2,0,0]=4 9091 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,2,0,0,0,0|2,0,0]=4 9092 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,2,0,0,0,0|2,0,0]=4 9093 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,2,0,0,0,0|2,0,0]=4 9094 B12R1.371 CCC(C)Sc1ncc[nH]c1=O 62a_100000758301_100000763361 [0,2,0,0,0,0|2,0,0]=4 9095 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000696092_100000758301 [0,2,0,0,0,0|1,0,0]=3 9096 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000758301_100000696092 [0,2,0,0,0,0|1,0,0]=3 9097 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000751373_100000758301 [0,2,0,0,0,0|1,0,0]=3 9098 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000758301_100000751373 [0,2,0,0,0,0|1,0,0]=3 9099 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100000758301_100011356963 [0,2,0,0,0,0|1,0,0]=3 9100 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100011356963_100000758301 [0,2,0,0,0,0|1,0,0]=3 9101 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000685392_100000758301 [0,2,0,0,0,0|1,0,0]=3 9102 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000758301_100000685392 [0,2,0,0,0,0|1,0,0]=3 9103 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000688686_100000758301 [0,2,0,0,0,0|1,0,0]=3 9104 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000758301_100000688686 [0,2,0,0,0,0|1,0,0]=3 9105 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000034122_100000758301 [0,2,0,0,0,0|1,0,0]=3 9106 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000758301_100000034122 [0,2,0,0,0,0|1,0,0]=3 9107 B12R1.371 CCC(C)Sc1nccnc1C 62a_100000758301_100011999405 [0,2,0,0,0,0|2,0,0]=4 9108 B12R1.371 CCC(C)Sc1nccnc1C 62a_100011999405_100000758301 [0,2,0,0,0,0|2,0,0]=4 9109 B12R1.371 CCC(C)Sc1nccnc1Cl 62a_100000758301_100010886584 [0,2,0,0,0,0|2,0,0]=4 9110 B12R1.371 CCC(C)Sc1nccnc1Cl 62a_100010886584_100000758301 [0,2,0,0,0,0|2,0,0]=4 9111 B12R1.371 CCC(C)Sc1nccnc1F 62a_100000758301_200010125657 [0,2,0,0,0,0|2,0,0]=4 9112 B12R1.371 CCC(C)Sc1nccnc1F 62a_200010125657_100000758301 [0,2,0,0,0,0|2,0,0]=4 9113 B12R1.371 CCC(C)Sc1nccnc1N 62a_100000747729_100000758301 [0,2,0,0,0,0|2,0,0]=4 9114 B12R1.371 CCC(C)Sc1nccnc1N 62a_100000758301_100000747729 [0,2,0,0,0,0|2,0,0]=4 9115 B12R1.371 CCC(C)Sc1ncncc1C 62a_100000758301_100011998708 [0,2,0,0,0,0|2,0,0]=4 9116 B12R1.371 CCC(C)Sc1ncncc1C 62a_100011998708_100000758301 [0,2,0,0,0,0|2,0,0]=4 9117 B12R1.371 CCC(C)Sc1ncncc1F 62a_100000069762_100000758301 [0,2,0,0,0,0|2,0,0]=4 9118 B12R1.371 CCC(C)Sc1ncncc1F 62a_100000758301_100000069762 [0,2,0,0,0,0|2,0,0]=4 9119 B12R1.371 CCC(C)Sc1ncncc1N 62a_100000709731_100000758301 [0,2,0,0,0,0|2,0,0]=4 9120 B12R1.371 CCC(C)Sc1ncncc1N 62a_100000758301_100000709731 [0,2,0,0,0,0|2,0,0]=4 9121 B12R1.371 CCC(C)Sc1nnccc1C 62a_100000758301_100000089043 [0,2,0,0,0,0|2,0,0]=4 9122 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,2,0,0,0,0|2,0,0]=4 9123 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,2,0,0,0,0|2,0,0]=4 9124 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,2,0,0,0,0|2,0,0]=4 9125 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,2,0,0,0,0|2,0,0]=4 9126 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,2,0,0,0,0|2,0,0]=4 9127 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,2,0,0,0,0|2,0,0]=4 9128 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,2,0,0,0,0|2,0,0]=4 9129 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,2,0,0,0,0|2,0,0]=4 9130 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,2,0,0,0,0|2,0,0]=4 9131 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,2,0,0,0,0|2,0,0]=4 9132 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,2,0,0,0,0|2,0,0]=4 9133 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,2,0,0,0,0|2,0,0]=4 9134 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,2,0,0,0,0|2,0,0]=4 9135 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,2,0,0,0,0|2,0,0]=4 9136 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,2,0,0,0,0|2,0,0]=4 9137 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,2,0,0,0,0|2,0,0]=4 9138 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,2,0,0,0,0|2,0,0]=4 9139 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,2,0,0,0,0|2,0,0]=4 9140 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,2,0,0,0,0|2,0,0]=4 9141 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,2,0,0,0,0|2,0,0]=4 9142 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,2,0,0,0,0|2,0,0]=4 9143 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,2,0,0,0,0|2,0,0]=4 9144 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,2,0,0,0,0|2,0,0]=4 9145 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,2,0,0,0,0|2,0,0]=4 9146 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,2,0,0,0,0|2,0,0]=4 9147 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,2,0,0,0,0|2,0,0]=4 9148 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,2,0,0,0,0|2,0,0]=4 9149 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,2,0,0,0,0|2,0,0]=4 9150 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,2,0,0,0,0|2,0,0]=4 9152 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,2,0,0,0,0|2,0,0]=4 9153 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,2,0,0,0,0|2,0,0]=4 9154 B12R1.371 CCN(C)Cc1ncccc1Br 2230a_100000225621_100025702911 [0,2,0,0,0,0|1,0,0]=3 9155 B12R1.371 CCN(C)Cc1ncccc1C 2230a_100000225621_100000696600 [0,2,0,0,0,0|1,0,0]=3 9156 B12R1.371 CCN(C)Cc1ncccc1C 269982a_100000225621_100000696600 [0,2,0,0,0,0|1,0,0]=3 9157 B12R1.371 CCN(C)Cc1ncccc1Cl 2230a_100000225621_100000099807 [0,2,0,0,0,0|1,0,0]=3 9158 B12R1.371 CCN(C)Cc1ncccc1Cl 269982a_100000225621_100000099807 [0,2,0,0,0,0|1,0,0]=3 9159 B12R1.371 CCN(C)Cc1ncccc1F 2230a_100000225621_100000104219 [0,2,0,0,0,0|1,0,0]=3 9160 B12R1.371 CCN(C)Cc1ncccc1F 269982a_100000225621_100000104219 [0,2,0,0,0,0|1,0,0]=3 9161 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,2,0,0,0,0|2,0,0]=4 9162 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,2,0,0,0,0|2,0,0]=4 9163 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,2,0,0,0,0|2,0,0]=4 9164 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,2,0,0,0,0|2,0,0]=4 9165 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,2,0,0,0,0|2,0,0]=4 9166 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,2,0,0,0,0|2,0,0]=4 9167 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,2,0,0,0,0|2,0,0]=4 9168 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,2,0,0,0,0|2,0,0]=4 9169 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,2,0,0,0,0|2,0,0]=4 9170 B12R1.371 CN(CF)Cc1ccccc1Br 269982a_100000184654_100015361967 [0,2,0,0,0,0|2,0,0]=4 9171 B12R1.371 CN(CF)Cc1ccccc1Cl 269982a_100000184507_100015361967 [0,2,0,0,0,0|2,0,0]=4 9172 B12R1.371 CN(CF)Cc1ccccc1F 269982a_100000742528_100015361967 [0,2,0,0,0,0|2,0,0]=4 9173 B12R1.371 CN(CF)Cc1ccccc1F 34a_100000742528_100015361967 [0,2,0,0,0,0|2,0,0]=4 9174 B12R1.371 CN(CF)Cc1ccccc1O 269982a_100015189988_100015361967 [0,2,0,0,0,0|2,0,0]=4 9175 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,2,0,0,0,0|1,0,1]=4 9176 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,2,0,0,0,0|1,0,1]=4 9177 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,2,0,0,0,0|1,0,1]=4 9178 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,2,0,0,0,0|1,0,1]=4 9179 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,2,0,0,0,0|1,0,1]=4 9180 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,2,0,0,0,0|1,0,1]=4 9181 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,2,0,0,0,0|1,0,1]=4 9182 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,2,0,0,0,0|1,0,1]=4 9183 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,2,0,0,0,0|1,0,0]=3 9184 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,2,0,0,0,0|1,0,0]=3 9185 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,2,0,0,0,0|1,0,0]=3 9186 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,2,0,0,0,0|1,0,0]=3 9187 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [0,2,0,0,0,0|0,0,0]=2 9188 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,2,0,0,0,0|1,0,1]=4 9189 B12R1.371 COC(C)Sc1cccc[n+]1C 62a_100009879195_100000212160 [0,2,0,0,0,0|1,0,1]=4 9190 B12R1.371 COC(C)Sc1cccc[n+]1[O-] 62a_100009879195_200000042595 [0,2,0,0,0,0|1,0,1]=4 9191 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [0,2,0,0,0,0|2,0,0]=4 9192 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [0,2,0,0,0,0|2,0,0]=4 9193 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,2,0,0,0,0|2,0,0]=4 9194 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,2,0,0,0,0|2,0,0]=4 9195 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [0,2,0,0,0,0|2,0,0]=4 9196 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [0,2,0,0,0,0|2,0,0]=4 9197 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [0,2,0,0,0,0|2,0,0]=4 9198 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [0,2,0,0,0,0|2,0,0]=4 9199 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [0,2,0,0,0,0|2,0,0]=4 9200 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [0,2,0,0,0,0|2,0,0]=4 9201 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,2,0,0,0,0|2,0,0]=4 9202 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,2,0,0,0,0|2,0,0]=4 9203 B12R1.371 COC(C)Sc1ncc[nH]c1=O 62a_100009879195_100000763361 [0,2,0,0,0,0|2,0,0]=4 9204 B12R1.371 COC(C)Sc1ncccc1Br 62a_100000696092_100009879195 [0,2,0,0,0,0|1,0,0]=3 9205 B12R1.371 COC(C)Sc1ncccc1Br 62a_100009879195_100000696092 [0,2,0,0,0,0|1,0,0]=3 9206 B12R1.371 COC(C)Sc1ncccc1C 62a_100000751373_100009879195 [0,2,0,0,0,0|1,0,0]=3 9207 B12R1.371 COC(C)Sc1ncccc1C 62a_100009879195_100000751373 [0,2,0,0,0,0|1,0,0]=3 9208 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100009879195_100011356963 [0,2,0,0,0,0|1,0,0]=3 9209 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100011356963_100009879195 [0,2,0,0,0,0|1,0,0]=3 9210 B12R1.371 COC(C)Sc1ncccc1F 62a_100000685392_100009879195 [0,2,0,0,0,0|1,0,0]=3 9211 B12R1.371 COC(C)Sc1ncccc1F 62a_100009879195_100000685392 [0,2,0,0,0,0|1,0,0]=3 9212 B12R1.371 COC(C)Sc1ncccc1N 62a_100000688686_100009879195 [0,2,0,0,0,0|1,0,0]=3 9213 B12R1.371 COC(C)Sc1ncccc1N 62a_100009879195_100000688686 [0,2,0,0,0,0|1,0,0]=3 9214 B12R1.371 COC(C)Sc1ncccc1O 62a_100000034122_100009879195 [0,2,0,0,0,0|1,0,0]=3 9215 B12R1.371 COC(C)Sc1ncccc1O 62a_100009879195_100000034122 [0,2,0,0,0,0|1,0,0]=3 9216 B12R1.371 COC(C)Sc1nccnc1C 62a_100009879195_100011999405 [0,2,0,0,0,0|2,0,0]=4 9217 B12R1.371 COC(C)Sc1nccnc1C 62a_100011999405_100009879195 [0,2,0,0,0,0|2,0,0]=4 9218 B12R1.371 COC(C)Sc1nccnc1Cl 62a_100009879195_100010886584 [0,2,0,0,0,0|2,0,0]=4 9219 B12R1.371 COC(C)Sc1nccnc1Cl 62a_100010886584_100009879195 [0,2,0,0,0,0|2,0,0]=4 9220 B12R1.371 COC(C)Sc1nccnc1F 62a_100009879195_200010125657 [0,2,0,0,0,0|2,0,0]=4 9221 B12R1.371 COC(C)Sc1nccnc1F 62a_200010125657_100009879195 [0,2,0,0,0,0|2,0,0]=4 9222 B12R1.371 COC(C)Sc1nccnc1N 62a_100000747729_100009879195 [0,2,0,0,0,0|2,0,0]=4 9223 B12R1.371 COC(C)Sc1nccnc1N 62a_100009879195_100000747729 [0,2,0,0,0,0|2,0,0]=4 9224 B12R1.371 COC(C)Sc1ncncc1C 62a_100009879195_100011998708 [0,2,0,0,0,0|2,0,0]=4 9225 B12R1.371 COC(C)Sc1ncncc1C 62a_100011998708_100009879195 [0,2,0,0,0,0|2,0,0]=4 9226 B12R1.371 COC(C)Sc1ncncc1F 62a_100000069762_100009879195 [0,2,0,0,0,0|2,0,0]=4 9227 B12R1.371 COC(C)Sc1ncncc1F 62a_100009879195_100000069762 [0,2,0,0,0,0|2,0,0]=4 9228 B12R1.371 COC(C)Sc1ncncc1N 62a_100000709731_100009879195 [0,2,0,0,0,0|2,0,0]=4 9229 B12R1.371 COC(C)Sc1ncncc1N 62a_100009879195_100000709731 [0,2,0,0,0,0|2,0,0]=4 9230 B12R1.371 COC(C)Sc1nnccc1C 62a_100009879195_100000089043 [0,2,0,0,0,0|2,0,0]=4 9231 B12R1.371 C[C@H](CF)Nc1ncccc1Br 27a_100102880703_100000696092 [0,2,0,0,0,0|1,0,0]=3 9232 B12R1.371 C[C@H](CF)Nc1nccnc1F 27a_100102880703_200010125657 [0,2,0,0,0,0|2,0,0]=4 9233 B12R1.371 C[C@H](CF)Nc1ncncc1F 27a_100102880703_100000069762 [0,2,0,0,0,0|2,0,0]=4 9234 B12R1.371 C[C@H](CF)Nc1ncncc1N 27a_100102880703_100000709731 [0,2,0,0,0,0|2,0,0]=4 9235 B12R1.371 C[C@H](CO)Nc1ncccc1Br 27a_100000737577_100000696092 [0,2,0,0,0,0|1,0,0]=3 9236 B12R1.371 C[C@H](CO)Nc1nccnc1F 27a_100000737577_200010125657 [0,2,0,0,0,0|2,0,0]=4 9237 B12R1.371 C[C@H](CO)Nc1ncncc1F 27a_100000737577_100000069762 [0,2,0,0,0,0|2,0,0]=4 9238 B12R1.371 C[C@H](CO)Nc1ncncc1N 27a_100000737577_100000709731 [0,2,0,0,0,0|2,0,0]=4 9239 B12R1.371 C[C@H](CO)Sc1cccc[n+]1C 62a_100016084084_100000212160 [0,2,0,0,0,0|1,0,1]=4 9240 B12R1.371 C[C@H](CO)Sc1cccc[n+]1[O-] 62a_100016084084_200000042595 [0,2,0,0,0,0|1,0,1]=4 9241 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100000695589_100016084084 [0,2,0,0,0,0|2,0,0]=4 9242 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100016084084_100000695589 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,2,0,0,0,0|2,0,0]=4 9244 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,2,0,0,0,0|2,0,0]=4 9245 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100011215700_100016084084 [0,2,0,0,0,0|2,0,0]=4 9246 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100016084084_100011215700 [0,2,0,0,0,0|2,0,0]=4 9247 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100000210017_100016084084 [0,2,0,0,0,0|2,0,0]=4 9248 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100016084084_100000210017 [0,2,0,0,0,0|2,0,0]=4 9249 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,2,0,0,0,0|2,0,0]=4 9250 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,2,0,0,0,0|2,0,0]=4 9251 B12R1.371 C[C@H](CO)Sc1ncc[nH]c1=O 62a_100016084084_100000763361 [0,2,0,0,0,0|2,0,0]=4 9252 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100000696092_100016084084 [0,2,0,0,0,0|1,0,0]=3 9253 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100016084084_100000696092 [0,2,0,0,0,0|1,0,0]=3 9254 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100011356963_100016084084 [0,2,0,0,0,0|1,0,0]=3 9255 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100016084084_100011356963 [0,2,0,0,0,0|1,0,0]=3 9256 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100000685392_100016084084 [0,2,0,0,0,0|1,0,0]=3 9257 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100016084084_100000685392 [0,2,0,0,0,0|1,0,0]=3 9258 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100000688686_100016084084 [0,2,0,0,0,0|1,0,0]=3 9259 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100016084084_100000688686 [0,2,0,0,0,0|1,0,0]=3 9260 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100000034122_100016084084 [0,2,0,0,0,0|1,0,0]=3 9261 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100016084084_100000034122 [0,2,0,0,0,0|1,0,0]=3 9262 B12R1.371 C[C@H](CO)Sc1nccnc1Cl 62a_100010886584_100016084084 [0,2,0,0,0,0|2,0,0]=4 9263 B12R1.371 C[C@H](CO)Sc1nccnc1Cl 62a_100016084084_100010886584 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.371 C[C@H](CO)Sc1nccnc1F 62a_100016084084_200010125657 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.371 C[C@H](CO)Sc1nccnc1F 62a_200010125657_100016084084 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.371 C[C@H](CO)Sc1nccnc1N 62a_100000747729_100016084084 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.371 C[C@H](CO)Sc1nccnc1N 62a_100016084084_100000747729 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.371 C[C@H](CO)Sc1ncncc1F 62a_100000069762_100016084084 [0,2,0,0,0,0|2,0,0]=4 9269 B12R1.371 C[C@H](CO)Sc1ncncc1F 62a_100016084084_100000069762 [0,2,0,0,0,0|2,0,0]=4 9270 B12R1.371 C[C@H](CO)Sc1ncncc1N 62a_100000709731_100016084084 [0,2,0,0,0,0|2,0,0]=4 9271 B12R1.371 C[C@H](CO)Sc1ncncc1N 62a_100016084084_100000709731 [0,2,0,0,0,0|2,0,0]=4 9272 B12R1.371 Cc1ccccc1CN(C)CF 269982a_100000184421_100015361967 [0,2,0,0,0,0|2,0,0]=4 9273 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,2,0,0,0,0|2,0,0]=4 9274 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,2,0,0,0,0|2,0,0]=4 9275 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,2,0,0,0,0|2,0,0]=4 9276 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,2,0,0,0,0|2,0,0]=4 9277 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,2,0,0,0,0|2,0,0]=4 9278 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,2,0,0,0,0|2,0,0]=4 9279 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,2,0,0,0,0|1,0,1]=4 9280 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,2,0,0,0,0|1,0,1]=4 9281 B12R1.371 Cc1cccnc1SC(C)C#N 62a_100000703298_100000751373 [0,2,0,0,0,0|1,0,1]=4 9282 B12R1.371 Cc1cccnc1SC(C)C#N 62a_100000751373_100000703298 [0,2,0,0,0,0|1,0,1]=4 9283 B12R1.371 Cc1cccnc1SC(C)CO 62a_100012180447_100000751373 [0,2,0,0,0,0|1,0,0]=3 9284 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100000751373_100016084084 [0,2,0,0,0,0|1,0,0]=3 9285 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100016084084_100000751373 [0,2,0,0,0,0|1,0,0]=3 9286 B12R1.371 Cc1ccnnc1N[C@H](C)CF 27a_100102880703_100000089043 [0,2,0,0,0,0|2,0,0]=4 9287 B12R1.371 Cc1ccnnc1N[C@H](C)CO 27a_100000737577_100000089043 [0,2,0,0,0,0|2,0,0]=4 9288 B12R1.371 Cc1ccnnc1SC(C)CO 62a_100012180447_100000089043 [0,2,0,0,0,0|2,0,0]=4 9289 B12R1.371 Cc1ccnnc1S[C@H](C)CO 62a_100016084084_100000089043 [0,2,0,0,0,0|2,0,0]=4 9290 B12R1.371 Cc1cncnc1N[C@H](C)CF 27a_100102880703_100011998708 [0,2,0,0,0,0|2,0,0]=4 9291 B12R1.371 Cc1cncnc1N[C@H](C)CO 27a_100000737577_100011998708 [0,2,0,0,0,0|2,0,0]=4 9292 B12R1.371 Cc1cncnc1SC(C)CO 62a_100012180447_100011998708 [0,2,0,0,0,0|2,0,0]=4 9293 B12R1.371 Cc1cncnc1S[C@H](C)CO 62a_100011998708_100016084084 [0,2,0,0,0,0|2,0,0]=4 9294 B12R1.371 Cc1cncnc1S[C@H](C)CO 62a_100016084084_100011998708 [0,2,0,0,0,0|2,0,0]=4 9295 B12R1.371 Cc1nccnc1N[C@H](C)CF 27a_100102880703_100011999405 [0,2,0,0,0,0|2,0,0]=4 9296 B12R1.371 Cc1nccnc1N[C@H](C)CO 27a_100000737577_100011999405 [0,2,0,0,0,0|2,0,0]=4 9297 B12R1.371 Cc1nccnc1OC(C)CO 34a_100000766352_100012180447 [0,2,0,0,0,0|2,0,0]=4 9298 B12R1.371 Cc1nccnc1SC(C)CO 62a_100012180447_100011999405 [0,2,0,0,0,0|2,0,0]=4 9299 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100011999405_100016084084 [0,2,0,0,0,0|2,0,0]=4 9300 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100016084084_100011999405 [0,2,0,0,0,0|2,0,0]=4 9301 B12R1.371 O=C(CF)Cc1ncccc1Br 1458a_200012357574_100015361967 [0,2,0,0,0,0|1,0,1]=4 9302 B12R1.371 O=C(CF)Cc1ncccc1Cl 1458a_100011998755_100015361967 [0,2,0,0,0,0|1,0,1]=4 9303 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,2,0,0,0,0|1,0,1]=4 9304 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,2,0,0,0,0|1,0,1]=4 9305 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,2,0,0,0,0|1,0,1]=4 9306 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,2,0,0,0,0|1,0,1]=4 9307 B12R1.75 C#Cc1ccccc1NC(C)C 34a_100011470550_100000210206 [0,2,0,0,0,0|2,0,0]=4 9308 B12R1.75 C#Cc1ccccc1OC(C)C 34a_200011470546_100000210206 [0,2,0,0,0,0|2,0,0]=4 9309 B12R1.75 C#Cc1ccccc1OC(C)C 7a_200011470546_100000210206 [0,2,0,0,0,0|2,0,0]=4 9310 B12R1.75 C=Cc1ccccc1CN(C)C 271570a_100011290941_100000174758 [0,2,0,0,0,0|2,0,0]=4 9311 B12R1.75 C=Cc1ccccc1NC(C)C 271570a_100011290941_100000219599 [0,2,0,0,0,0|2,0,0]=4 9312 B12R1.75 C=Cc1ccccc1NC(C)C 34a_100012022501_100000210206 [0,2,0,0,0,0|2,0,0]=4 9313 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [0,2,0,0,0,0|2,0,0]=4 9314 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100000210206_100011218376 [0,2,0,0,0,0|2,0,0]=4 9315 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100011218376_100000210206 [0,2,0,0,0,0|2,0,0]=4 9316 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [0,2,0,0,0,0|1,0,0]=3 9317 B12R1.75 CC(=Cc1ncccc1C#N)C 271570a_100102525489_100000211984 [0,2,0,0,0,0|0,0,2]=4 9318 B12R1.75 CC(=Cc1ncccc1C=O)C 271570a_100102525489_100009816751 [0,2,0,0,0,0|0,0,2]=4 9319 B12R1.75 CC(=Cc1ncccc1CN)C 271570a_100102525489_100015189234 [0,2,0,0,0,0|0,0,2]=4 9320 B12R1.75 CC(=Cc1ncccc1CO)C 271570a_100102525489_100000748726 [0,2,0,0,0,0|0,0,2]=4 9321 B12R1.75 CC(=O)Cc1ncccc1C#N 1458a_100000070787_100000099805 [0,2,0,0,0,0|1,0,1]=4 9322 B12R1.75 CC(C)Nc1ccccc1C#N 34a_100000211148_100000210206 [0,2,0,0,0,0|2,0,0]=4 9323 B12R1.75 CC(C)Nc1ccccc1CO 34a_100000212039_100000210206 [0,2,0,0,0,0|2,0,0]=4 9324 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,2,0,0,0,0|2,0,0]=4 9325 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,2,0,0,0,0|2,0,0]=4 9326 B12R1.75 CC(C)Nc1ncccc1C#N 27a_100138425928_100000211984 [0,2,0,0,0,0|1,0,0]=3 9327 B12R1.75 CC(C)Nc1nccnc1C#N 27a_100138425928_100000040484 [0,2,0,0,0,0|2,0,0]=4 9328 B12R1.75 CC(C)Nc1ncncc1C#N 27a_100138425928_100000687955 [0,2,0,0,0,0|2,0,0]=4 9329 B12R1.75 CC(C)Nc1nnccc1C#N 27a_100138425928_100000100742 [0,2,0,0,0,0|2,0,0]=4 9330 B12R1.75 CC(C)Oc1ccccc1C#N 34a_100000211048_100000210206 [0,2,0,0,0,0|2,0,0]=4 9331 B12R1.75 CC(C)Oc1ccccc1C#N 7a_100000211048_100000210206 [0,2,0,0,0,0|2,0,0]=4 9332 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [0,2,0,0,0,0|2,0,0]=4 9333 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,2,0,0,0,0|2,0,0]=4 9334 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,2,0,0,0,0|2,0,0]=4 9335 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,2,0,0,0,0|2,0,0]=4 9336 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,2,0,0,0,0|2,0,0]=4 9337 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,2,0,0,0,0|2,0,0]=4 9338 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,2,0,0,0,0|2,0,0]=4 9339 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,2,0,0,0,0|2,0,0]=4 9340 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,2,0,0,0,0|1,0,0]=3 9341 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,2,0,0,0,0|1,0,0]=3 9342 B12R1.75 CC(C)Sc1ccccc1C#N 62a_100000210206_100000188569 [0,2,0,0,0,0|2,0,0]=4 9343 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210073_100000210206 [0,2,0,0,0,0|2,0,0]=4 9344 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210206_100000210073 [0,2,0,0,0,0|2,0,0]=4 9345 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000210206_100000689332 [0,2,0,0,0,0|2,0,0]=4 9346 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000689332_100000210206 [0,2,0,0,0,0|2,0,0]=4 9347 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000187465_100000210206 [0,2,0,0,0,0|2,0,0]=4 9348 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000210206_100000187465 [0,2,0,0,0,0|2,0,0]=4 9349 B12R1.75 CC(C)Sc1ccccc1NN 62a_100000210206_100000241748 [0,2,0,0,0,0|2,0,0]=4 9350 B12R1.75 CC(C)Sc1ccccc1NN 62a_100000241748_100000210206 [0,2,0,0,0,0|2,0,0]=4 9351 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 2230a_100000688217_200025704644 [0,2,0,0,0,0|2,0,0]=4 9352 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 34a_100000688217_200025704644 [0,2,0,0,0,0|2,0,0]=4 9353 B12R1.75 CC(C)Sc1ncccc1C#N 62a_100000210206_100000211984 [0,2,0,0,0,0|1,0,0]=3 9354 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100000210206_100009816751 [0,2,0,0,0,0|1,0,0]=3 9355 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100009816751_100000210206 [0,2,0,0,0,0|1,0,0]=3 9356 B12R1.75 CC(C)Sc1ncccc1CN 62a_100000210206_100015189234 [0,2,0,0,0,0|1,0,0]=3 9357 B12R1.75 CC(C)Sc1ncccc1CN 62a_100015189234_100000210206 [0,2,0,0,0,0|1,0,0]=3 9358 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000210206_100000748726 [0,2,0,0,0,0|1,0,0]=3 9359 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000748726_100000210206 [0,2,0,0,0,0|1,0,0]=3 9360 B12R1.75 CC(C)Sc1nccnc1C#N 62a_100000210206_100000040484 [0,2,0,0,0,0|2,0,0]=4 9361 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000051000_100000210206 [0,2,0,0,0,0|2,0,0]=4 9362 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000210206_100000051000 [0,2,0,0,0,0|2,0,0]=4 9363 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,2,0,0,0,0|2,0,0]=4 9364 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,2,0,0,0,0|2,0,0]=4 9365 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,2,0,0,0,0|2,0,0]=4 9366 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,2,0,0,0,0|2,0,0]=4 9367 B12R1.75 CC(C)Sc1nccnc1NN 62a_100000210206_100000755098 [0,2,0,0,0,0|2,0,0]=4 9368 B12R1.75 CC(C)Sc1ncncc1C#N 62a_100000210206_100000687955 [0,2,0,0,0,0|2,0,0]=4 9369 B12R1.75 CC(C)Sc1nnccc1C#N 62a_100000210206_100000100742 [0,2,0,0,0,0|2,0,0]=4 9370 B12R1.75 CCc1ccccc1CN(C)C 270004a_100102631434_100011219594 [0,2,0,0,0,0|2,0,0]=4 9371 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,2,0,0,0,0|2,0,0]=4 9372 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,2,0,0,0,0|2,0,0]=4 9373 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,2,0,0,0,0|2,0,0]=4 9374 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,2,0,0,0,0|2,0,0]=4 9375 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,2,0,0,0,0|2,0,0]=4 9376 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,2,0,0,0,0|2,0,0]=4 9377 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,2,0,0,0,0|2,0,0]=4 9378 B12R1.75 CCc1cncnc1NC(C)C 27a_100138425928_200000100055 [0,2,0,0,0,0|2,0,0]=4 9379 B12R1.75 CCc1cncnc1SC(C)C 62a_100000210206_200000100055 [0,2,0,0,0,0|2,0,0]=4 9380 B12R1.75 CCc1cncnc1SC(C)C 62a_200000100055_100000210206 [0,2,0,0,0,0|2,0,0]=4 9381 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,2,0,0,0,0|2,0,0]=4 9382 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,2,0,0,0,0|2,0,0]=4 9383 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,2,0,0,0,0|2,0,0]=4 9384 B12R1.75 CN(C)Cc1ccccc1C#N 2230a_100000225633_200000210301 [0,2,0,0,0,0|2,0,0]=4 9385 B12R1.75 CN(C)Cc1ccccc1C#N 2230a_100102631434_100000181865 [0,2,0,0,0,0|2,0,0]=4 9386 B12R1.75 CN(C)Cc1ccccc1C#N 269982a_100000225633_200000210301 [0,2,0,0,0,0|2,0,0]=4 9387 B12R1.75 CN(C)Cc1ccccc1C#N 269982a_100102631434_100000181865 [0,2,0,0,0,0|2,0,0]=4 9388 B12R1.75 CN(C)Cc1ccccc1C=O 2230a_100102631434_200009853537 [0,2,0,0,0,0|2,0,0]=4 9389 B12R1.75 CN(C)Cc1ccccc1C=O 269982a_100102631434_200009853537 [0,2,0,0,0,0|2,0,0]=4 9390 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100000044721_200000210301 [0,2,0,0,0,0|2,0,0]=4 9391 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100102631434_100009816955 [0,2,0,0,0,0|2,0,0]=4 9392 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100000044721_200000210301 [0,2,0,0,0,0|2,0,0]=4 9393 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100102631434_100009816955 [0,2,0,0,0,0|2,0,0]=4 9394 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_100000174758_200025704644 [0,2,0,0,0,0|2,0,0]=4 9395 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_200025704644_100000174758 [0,2,0,0,0,0|2,0,0]=4 9396 B12R1.75 CN(C)Cc1ncccc1C#N 2230a_100102631434_100000099805 [0,2,0,0,0,0|1,0,0]=3 9397 B12R1.75 CN(C)Cc1ncccc1C#N 269982a_100102631434_100000099805 [0,2,0,0,0,0|1,0,0]=3 9398 B12R1.75 CN([13CH3])Cc1ccccc1C#N 2230a_100000225633_200025704644 [0,2,0,0,0,0|2,0,0]=4 9399 B12R1.75 CN([13CH3])Cc1ccccc1C#N 269982a_100000225633_200025704644 [0,2,0,0,0,0|2,0,0]=4 9400 B12R1.75 CN([13CH3])Cc1ccccc1CO 2230a_100000044721_200025704644 [0,2,0,0,0,0|2,0,0]=4 9401 B12R1.75 CN([13CH3])Cc1ccccc1CO 269982a_100000044721_200025704644 [0,2,0,0,0,0|2,0,0]=4 9402 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,2,0,0,0,0|2,0,0]=4 9403 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,2,0,0,0,0|2,0,0]=4 9404 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,2,0,0,0,0|2,0,0]=4 9405 B12R1.75 CNc1ccccc1SC(C)C 2230a_100000688217_200000210301 [0,2,0,0,0,0|2,0,0]=4 9406 B12R1.75 CNc1ccccc1SC(C)C 34a_100000688217_200000210301 [0,2,0,0,0,0|2,0,0]=4 9407 B12R1.75 CNc1ccccc1SC(C)C 62a_100000210206_100020606079 [0,2,0,0,0,0|2,0,0]=4 9408 B12R1.75 CNc1ccccc1SC(C)C 62a_100020606079_100000210206 [0,2,0,0,0,0|2,0,0]=4 9409 B12R1.75 CNc1cccnc1C=C(C)C 271570a_100102525489_200011806188 [0,2,0,0,0,0|0,0,2]=4 9410 B12R1.75 CNc1cccnc1SC(C)C 62a_100000210206_200011806188 [0,2,0,0,0,0|1,0,0]=3 9411 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,2,0,0,0,0|2,0,0]=4 9412 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,2,0,0,0,0|2,0,0]=4 9413 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,2,0,0,0,0|2,0,0]=4 9414 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,2,0,0,0,0|2,0,0]=4 9415 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,2,0,0,0,0|2,0,0]=4 9416 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,2,0,0,0,0|2,0,0]=4 9417 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,2,0,0,0,0|2,0,0]=4 9418 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,2,0,0,0,0|2,0,0]=4 9419 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,2,0,0,0,0|2,0,0]=4 9420 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,2,0,0,0,0|2,0,0]=4 9421 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,2,0,0,0,0|2,0,0]=4 9422 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,2,0,0,0,0|2,0,0]=4 9423 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,2,0,0,0,0|2,0,0]=4 9424 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,2,0,0,0,0|2,0,0]=4 9425 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,2,0,0,0,0|0,0,2]=4 9426 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,2,0,0,0,0|1,0,0]=3 9427 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,2,0,0,0,0|1,0,0]=3 9428 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,2,0,0,0,0|1,0,0]=3 9429 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,2,0,0,0,0|1,0,0]=3 9430 B12R1.75 COc1cncnc1NC(C)C 27a_100138425928_100012001275 [0,2,0,0,0,0|2,0,0]=4 9431 B12R1.75 COc1cncnc1SC(C)C 62a_100000210206_100012001275 [0,2,0,0,0,0|2,0,0]=4 9432 B12R1.75 COc1cncnc1SC(C)C 62a_100012001275_100000210206 [0,2,0,0,0,0|2,0,0]=4 9433 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,2,0,0,0,0|2,0,0]=4 9434 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,2,0,0,0,0|2,0,0]=4 9435 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,2,0,0,0,0|2,0,0]=4 9436 B12R1.75 CSc1ccccc1CN(C)C 2230a_100102631434_100000699184 [0,2,0,0,0,0|2,0,0]=4 9437 B12R1.75 CSc1ccccc1CN(C)C 269982a_100102631434_100000699184 [0,2,0,0,0,0|2,0,0]=4 9438 B12R1.75 CSc1ccccc1CN(C)C 270004a_100102631434_100011217347 [0,2,0,0,0,0|2,0,0]=4 9439 B12R1.75 CSc1ccccc1CN(C)C 62a_100000174758_200000210301 [0,2,0,0,0,0|2,0,0]=4 9440 B12R1.75 CSc1ccccc1CN(C)C 62a_200000210301_100000174758 [0,2,0,0,0,0|2,0,0]=4 9441 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,2,0,0,0,0|2,0,0]=4 9442 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,2,0,0,0,0|2,0,0]=4 9443 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,2,0,0,0,0|2,0,0]=4 9444 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,2,0,0,0,0|2,0,0]=4 9445 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,2,0,0,0,0|2,0,0]=4 9446 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,2,0,0,0,0|2,0,0]=4 9447 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,2,0,0,0,0|2,0,0]=4 9448 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,2,0,0,0,0|2,0,0]=4 9449 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,2,0,0,0,0|1,0,0]=3 9450 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,2,0,0,0,0|1,0,0]=3 9451 B12R1.127 CC(=Cc1nc(ccc1Br)N)C 271570a_100102525489_100010192275 [0,2,0,0,0,0|0,0,2]=4 9452 B12R1.127 CC(=Cc1nc(ccc1C)C)C 271570a_100102525489_100009854376 [0,2,0,0,0,0|0,0,2]=4 9453 B12R1.127 CC(=Cc1nc(ccc1C)N)C 271570a_100102525489_100000126722 [0,2,0,0,0,0|0,0,2]=4 9454 B12R1.127 CC(=Cc1nc(ccc1F)C)C 271570a_100102525489_100009817602 [0,2,0,0,0,0|0,0,2]=4 9455 B12R1.127 CC(=Cc1nc(ccc1F)Cl)C 271570a_100102525489_100010136221 [0,2,0,0,0,0|0,0,2]=4 9456 B12R1.127 CC(=Cc1nc(ccc1F)F)C 271570a_100102525489_100010997973 [0,2,0,0,0,0|0,0,2]=4 9457 B12R1.127 CC(=Cc1nc(ccc1F)N)C 271570a_100102525489_100010892222 [0,2,0,0,0,0|0,0,2]=4 9458 B12R1.127 CC(=Cc1nc(ccc1N)Br)C 271570a_100102525489_100010168765 [0,2,0,0,0,0|0,0,2]=4 9459 B12R1.127 CC(=Cc1nc(ccc1N)C)C 271570a_100102525489_100000685570 [0,2,0,0,0,0|0,0,2]=4 9460 B12R1.127 CC(=Cc1nc(ccc1N)Cl)C 271570a_100102525489_100010233647 [0,2,0,0,0,0|0,0,2]=4 9461 B12R1.127 CC(=Cc1nc(ccc1N)F)C 271570a_100102525489_100009879877 [0,2,0,0,0,0|0,0,2]=4 9462 B12R1.127 CC(=Cc1nc(ccc1N)N)C 271570a_100102525489_200009884323 [0,2,0,0,0,0|0,0,2]=4 9463 B12R1.127 CC(=Cc1nc(ccc1O)Br)C 271570a_100102525489_100010253912 [0,2,0,0,0,0|0,0,2]=4 9464 B12R1.127 CC(=Cc1nc(ccc1O)C)C 271570a_100102525489_100000702858 [0,2,0,0,0,0|0,0,2]=4 9465 B12R1.127 CC(=Cc1nc(ccc1O)Cl)C 271570a_100102525489_100000696390 [0,2,0,0,0,0|0,0,2]=4 9466 B12R1.127 CC(=Cc1nc(ccc1O)F)C 271570a_100102525489_100010382442 [0,2,0,0,0,0|0,0,2]=4 9467 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,2,0,0,0,0|1,0,1]=4 9468 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,2,0,0,0,0|1,0,1]=4 9469 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,2,0,0,0,0|1,0,1]=4 9470 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,2,0,0,0,0|1,0,1]=4 9471 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,2,0,0,0,0|1,0,1]=4 9472 B12R1.127 CC(C)Nc1cc(ccc1Br)Br 34a_100000737762_100000210206 [0,2,0,0,0,0|2,0,0]=4 9473 B12R1.127 CC(C)Nc1cc(ccc1Br)Cl 34a_100000687073_100000210206 [0,2,0,0,0,0|2,0,0]=4 9474 B12R1.127 CC(C)Nc1cc(ccc1Br)F 34a_100000687223_100000210206 [0,2,0,0,0,0|2,0,0]=4 9475 B12R1.127 CC(C)Nc1cc(ccc1Br)O 34a_100011999798_100000210206 [0,2,0,0,0,0|2,0,0]=4 9476 B12R1.127 CC(C)Nc1cc(ccc1Cl)Br 34a_100000750497_100000210206 [0,2,0,0,0,0|2,0,0]=4 9477 B12R1.127 CC(C)Nc1cc(ccc1Cl)Cl 34a_100000184485_100000210206 [0,2,0,0,0,0|2,0,0]=4 9478 B12R1.127 CC(C)Nc1cc(ccc1Cl)F 34a_100000751338_100000210206 [0,2,0,0,0,0|2,0,0]=4 9479 B12R1.127 CC(C)Nc1cc(ccc1Cl)I 34a_200000761891_100000210206 [0,2,0,0,0,0|2,0,0]=4 9480 B12R1.127 CC(C)Nc1cc(ccc1Cl)O 34a_100011934297_100000210206 [0,2,0,0,0,0|2,0,0]=4 9481 B12R1.127 CC(C)Nc1cc(ccc1F)Br 34a_100000740924_100000210206 [0,2,0,0,0,0|2,0,0]=4 9482 B12R1.127 CC(C)Nc1cc(ccc1F)Cl 34a_100000212115_100000210206 [0,2,0,0,0,0|2,0,0]=4 9483 B12R1.127 CC(C)Nc1cc(ccc1F)F 34a_100000210742_100000210206 [0,2,0,0,0,0|2,0,0]=4 9484 B12R1.127 CC(C)Nc1cc(ccc1F)I 34a_100011464823_100000210206 [0,2,0,0,0,0|2,0,0]=4 9485 B12R1.127 CC(C)Nc1cc(ccc1F)O 34a_100012017239_100000210206 [0,2,0,0,0,0|2,0,0]=4 9486 B12R1.127 CC(C)Nc1cc(ccc1I)Br 34a_100000743836_100000210206 [0,2,0,0,0,0|2,0,0]=4 9487 B12R1.127 CC(C)Nc1cc(ccc1I)Cl 34a_100000761886_100000210206 [0,2,0,0,0,0|2,0,0]=4 9488 B12R1.127 CC(C)Nc1cc(ccc1I)F 34a_100011218093_100000210206 [0,2,0,0,0,0|2,0,0]=4 9489 B12R1.127 CC(C)Nc1cc(ccc1O)Br 34a_100000752626_100000210206 [0,2,0,0,0,0|2,0,0]=4 9490 B12R1.127 CC(C)Nc1cc(ccc1O)Cl 34a_100000210500_100000210206 [0,2,0,0,0,0|2,0,0]=4 9491 B12R1.127 CC(C)Nc1cc(ccc1O)F 34a_100000759472_100000210206 [0,2,0,0,0,0|2,0,0]=4 9492 B12R1.127 CC(C)Nc1nc(ccc1F)F 27a_100138425928_100010997973 [0,2,0,0,0,0|1,0,0]=3 9493 B12R1.127 CC(C)Nc1nc(ccc1N)F 27a_100138425928_100009879877 [0,2,0,0,0,0|1,0,0]=3 9494 B12R1.127 CC(C)Nc1nc(ncc1F)N 27a_100138425928_200000093006 [0,2,0,0,0,0|2,0,0]=4 9495 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 34a_100011220040_100000210206 [0,2,0,0,0,0|2,0,0]=4 9496 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 7a_100011220040_100000210206 [0,2,0,0,0,0|2,0,0]=4 9497 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 34a_100012339455_100000210206 [0,2,0,0,0,0|2,0,0]=4 9498 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 7a_100012339455_100000210206 [0,2,0,0,0,0|2,0,0]=4 9499 B12R1.127 CC(C)Oc1cc(ccc1Br)F 34a_100000690578_100000210206 [0,2,0,0,0,0|2,0,0]=4 9500 B12R1.127 CC(C)Oc1cc(ccc1Br)F 7a_100000690578_100000210206 [0,2,0,0,0,0|2,0,0]=4 9501 B12R1.127 CC(C)Oc1cc(ccc1Br)I 34a_100012356990_100000210206 [0,2,0,0,0,0|2,0,0]=4 9502 B12R1.127 CC(C)Oc1cc(ccc1Br)I 7a_100012356990_100000210206 [0,2,0,0,0,0|2,0,0]=4 9503 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 34a_100000738945_100000210206 [0,2,0,0,0,0|2,0,0]=4 9504 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 7a_100000738945_100000210206 [0,2,0,0,0,0|2,0,0]=4 9505 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 34a_100000211422_100000210206 [0,2,0,0,0,0|2,0,0]=4 9506 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 7a_100000211422_100000210206 [0,2,0,0,0,0|2,0,0]=4 9507 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 34a_100000692107_100000210206 [0,2,0,0,0,0|2,0,0]=4 9508 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 7a_100000692107_100000210206 [0,2,0,0,0,0|2,0,0]=4 9509 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 34a_100011356854_100000210206 [0,2,0,0,0,0|2,0,0]=4 9510 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 7a_100011356854_100000210206 [0,2,0,0,0,0|2,0,0]=4 9511 B12R1.127 CC(C)Oc1cc(ccc1Cl)N 34a_100011934209_100000210206 [0,2,0,0,0,0|2,0,0]=4 9512 B12R1.127 CC(C)Oc1cc(ccc1F)Br 34a_100000686035_100000210206 [0,2,0,0,0,0|2,0,0]=4 9513 B12R1.127 CC(C)Oc1cc(ccc1F)Br 7a_100000686035_100000210206 [0,2,0,0,0,0|2,0,0]=4 9514 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 34a_100000757397_100000210206 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 7a_100000757397_100000210206 [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.127 CC(C)Oc1cc(ccc1F)F 34a_100000752141_100000210206 [0,2,0,0,0,0|2,0,0]=4 9517 B12R1.127 CC(C)Oc1cc(ccc1F)F 7a_100000752141_100000210206 [0,2,0,0,0,0|2,0,0]=4 9518 B12R1.127 CC(C)Oc1cc(ccc1F)I 34a_100009958187_100000210206 [0,2,0,0,0,0|2,0,0]=4 9519 B12R1.127 CC(C)Oc1cc(ccc1F)I 7a_100009958187_100000210206 [0,2,0,0,0,0|2,0,0]=4 9520 B12R1.127 CC(C)Oc1cc(ccc1F)N 34a_100012017398_100000210206 [0,2,0,0,0,0|2,0,0]=4 9521 B12R1.127 CC(C)Oc1cc(ccc1F)N 7a_100012017398_100000210206 [0,2,0,0,0,0|2,0,0]=4 9522 B12R1.127 CC(C)Oc1cc(ccc1F)O 271570a_203496583355_200012350295 [0,2,0,0,0,0|2,0,0]=4 9523 B12R1.127 CC(C)Oc1cc(ccc1I)Br 34a_100012344904_100000210206 [0,2,0,0,0,0|2,0,0]=4 9524 B12R1.127 CC(C)Oc1cc(ccc1I)Br 7a_100012344904_100000210206 [0,2,0,0,0,0|2,0,0]=4 9525 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 34a_100000050036_100000210206 [0,2,0,0,0,0|2,0,0]=4 9526 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 7a_100000050036_100000210206 [0,2,0,0,0,0|2,0,0]=4 9527 B12R1.127 CC(C)Oc1cc(ccc1I)F 34a_100010084537_100000210206 [0,2,0,0,0,0|2,0,0]=4 9528 B12R1.127 CC(C)Oc1cc(ccc1I)F 7a_100010084537_100000210206 [0,2,0,0,0,0|2,0,0]=4 9529 B12R1.127 CC(C)Oc1cc(ccc1N)Br 34a_100000739049_100000210206 [0,2,0,0,0,0|2,0,0]=4 9530 B12R1.127 CC(C)Oc1cc(ccc1N)Br 7a_100000739049_100000210206 [0,2,0,0,0,0|2,0,0]=4 9531 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 34a_100000185728_100000210206 [0,2,0,0,0,0|2,0,0]=4 9532 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 7a_100000185728_100000210206 [0,2,0,0,0,0|2,0,0]=4 9533 B12R1.127 CC(C)Oc1cc(ccc1N)F 34a_100000753323_100000210206 [0,2,0,0,0,0|2,0,0]=4 9534 B12R1.127 CC(C)Oc1cc(ccc1N)F 7a_100000753323_100000210206 [0,2,0,0,0,0|2,0,0]=4 9535 B12R1.127 CC(C)Oc1cc(ccc1N)I 34a_100000057187_100000210206 [0,2,0,0,0,0|2,0,0]=4 9536 B12R1.127 CC(C)Oc1cc(ccc1N)I 7a_100000057187_100000210206 [0,2,0,0,0,0|2,0,0]=4 9537 B12R1.127 CC(C)Oc1cc(ccc1N)N 34a_100025717382_100000210206 [0,2,0,0,0,0|2,0,0]=4 9538 B12R1.127 CC(C)Oc1cc(ccc1O)F 271570a_203496583355_200012359391 [0,2,0,0,0,0|2,0,0]=4 9539 B12R1.127 CC(C)Oc1nc(ccc1F)Cl 34a_100010729010_100000210206 [0,2,0,0,0,0|1,0,0]=3 9540 B12R1.127 CC(C)Oc1nc(ncc1F)Cl 34a_100011995740_100000210206 [0,2,0,0,0,0|2,0,0]=4 9541 B12R1.127 CC(C)Sc1cc(ccc1Br)Br 62a_100000210206_100011483371 [0,2,0,0,0,0|2,0,0]=4 9542 B12R1.127 CC(C)Sc1cc(ccc1Br)Br 62a_100011483371_100000210206 [0,2,0,0,0,0|2,0,0]=4 9543 B12R1.127 CC(C)Sc1cc(ccc1Br)Cl 62a_100000210206_100012339723 [0,2,0,0,0,0|2,0,0]=4 9544 B12R1.127 CC(C)Sc1cc(ccc1Br)Cl 62a_100012339723_100000210206 [0,2,0,0,0,0|2,0,0]=4 9545 B12R1.127 CC(C)Sc1cc(ccc1Br)F 62a_100000210206_100011217576 [0,2,0,0,0,0|2,0,0]=4 9546 B12R1.127 CC(C)Sc1cc(ccc1Br)F 62a_100011217576_100000210206 [0,2,0,0,0,0|2,0,0]=4 9547 B12R1.127 CC(C)Sc1cc(ccc1Br)N 62a_100000210206_100000750459 [0,2,0,0,0,0|2,0,0]=4 9548 B12R1.127 CC(C)Sc1cc(ccc1Br)N 62a_100000750459_100000210206 [0,2,0,0,0,0|2,0,0]=4 9549 B12R1.127 CC(C)Sc1cc(ccc1Br)O 62a_100000210206_100012339312 [0,2,0,0,0,0|2,0,0]=4 9550 B12R1.127 CC(C)Sc1cc(ccc1Br)O 62a_100012339312_100000210206 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.127 CC(C)Sc1cc(ccc1Cl)Br 62a_100000210206_100011772130 [0,2,0,0,0,0|2,0,0]=4 9552 B12R1.127 CC(C)Sc1cc(ccc1Cl)Br 62a_100011772130_100000210206 [0,2,0,0,0,0|2,0,0]=4 9553 B12R1.127 CC(C)Sc1cc(ccc1Cl)Cl 62a_100000210206_100000707729 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.127 CC(C)Sc1cc(ccc1Cl)Cl 62a_100000707729_100000210206 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.127 CC(C)Sc1cc(ccc1Cl)F 62a_100000210206_100011217299 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.127 CC(C)Sc1cc(ccc1Cl)F 62a_100011217299_100000210206 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.127 CC(C)Sc1cc(ccc1Cl)N 62a_100000210206_100012360549 [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.127 CC(C)Sc1cc(ccc1Cl)N 62a_100012360549_100000210206 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.127 CC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000210206 [0,2,0,0,0,0|2,0,0]=4 9560 B12R1.127 CC(C)Sc1cc(ccc1Cl)O 62a_100000210206_100000049588 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.127 CC(C)Sc1cc(ccc1F)Br 62a_100000210206_100011217312 [0,2,0,0,0,0|2,0,0]=4 9562 B12R1.127 CC(C)Sc1cc(ccc1F)Br 62a_100011217312_100000210206 [0,2,0,0,0,0|2,0,0]=4 9563 B12R1.127 CC(C)Sc1cc(ccc1F)Cl 62a_100000210206_100011218116 [0,2,0,0,0,0|2,0,0]=4 9564 B12R1.127 CC(C)Sc1cc(ccc1F)Cl 62a_100011218116_100000210206 [0,2,0,0,0,0|2,0,0]=4 9565 B12R1.127 CC(C)Sc1cc(ccc1F)F 62a_100000210206_100011219198 [0,2,0,0,0,0|2,0,0]=4 9566 B12R1.127 CC(C)Sc1cc(ccc1F)F 62a_100011219198_100000210206 [0,2,0,0,0,0|2,0,0]=4 9567 B12R1.127 CC(C)Sc1cc(ccc1F)N 62a_100000210206_100000760356 [0,2,0,0,0,0|2,0,0]=4 9568 B12R1.127 CC(C)Sc1cc(ccc1F)N 62a_100000760356_100000210206 [0,2,0,0,0,0|2,0,0]=4 9569 B12R1.127 CC(C)Sc1cc(ccc1F)O 62a_100000210206_100000693481 [0,2,0,0,0,0|2,0,0]=4 9570 B12R1.127 CC(C)Sc1cc(ccc1F)O 62a_100000693481_100000210206 [0,2,0,0,0,0|2,0,0]=4 9571 B12R1.127 CC(C)Sc1cc(ccc1N)Br 62a_100000187925_100000210206 [0,2,0,0,0,0|2,0,0]=4 9572 B12R1.127 CC(C)Sc1cc(ccc1N)Br 62a_100000210206_100000187925 [0,2,0,0,0,0|2,0,0]=4 9573 B12R1.127 CC(C)Sc1cc(ccc1N)Cl 62a_100000210206_100000761889 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.127 CC(C)Sc1cc(ccc1N)Cl 62a_100000761889_100000210206 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.127 CC(C)Sc1cc(ccc1N)F 62a_100000210206_100000760547 [0,2,0,0,0,0|2,0,0]=4 9576 B12R1.127 CC(C)Sc1cc(ccc1N)F 62a_100000760547_100000210206 [0,2,0,0,0,0|2,0,0]=4 9577 B12R1.127 CC(C)Sc1cc(ccc1N)N 62a_100000210206_100011534242 [0,2,0,0,0,0|2,0,0]=4 9578 B12R1.127 CC(C)Sc1cc(ccc1N)N 62a_100011534242_100000210206 [0,2,0,0,0,0|2,0,0]=4 9579 B12R1.127 CC(C)Sc1cc(ccc1N)O 62a_100000210206_100012001276 [0,2,0,0,0,0|2,0,0]=4 9580 B12R1.127 CC(C)Sc1cc(ccc1N)O 62a_100012001276_100000210206 [0,2,0,0,0,0|2,0,0]=4 9581 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100000210206_100012355227 [0,2,0,0,0,0|2,0,0]=4 9582 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100012355227_100000210206 [0,2,0,0,0,0|2,0,0]=4 9583 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100000210206_100011356953 [0,2,0,0,0,0|2,0,0]=4 9584 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100011356953_100000210206 [0,2,0,0,0,0|2,0,0]=4 9585 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000210206_100000211999 [0,2,0,0,0,0|2,0,0]=4 9586 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000211999_100000210206 [0,2,0,0,0,0|2,0,0]=4 9587 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100000210206_100011534360 [0,2,0,0,0,0|2,0,0]=4 9588 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100011534360_100000210206 [0,2,0,0,0,0|2,0,0]=4 9589 B12R1.127 CC(C)Sc1cc(ccc1O)O 62a_100000210206_100009813629 [0,2,0,0,0,0|2,0,0]=4 9590 B12R1.127 CC(C)Sc1nc(ccc1Br)N 62a_100000210206_100010192275 [0,2,0,0,0,0|1,0,0]=3 9591 B12R1.127 CC(C)Sc1nc(ccc1Br)N 62a_100010192275_100000210206 [0,2,0,0,0,0|1,0,0]=3 9592 B12R1.127 CC(C)Sc1nc(ccc1F)Cl 62a_100000210206_100010136221 [0,2,0,0,0,0|1,0,0]=3 9593 B12R1.127 CC(C)Sc1nc(ccc1F)Cl 62a_100010136221_100000210206 [0,2,0,0,0,0|1,0,0]=3 9594 B12R1.127 CC(C)Sc1nc(ccc1F)F 62a_100000210206_100010997973 [0,2,0,0,0,0|1,0,0]=3 9595 B12R1.127 CC(C)Sc1nc(ccc1F)F 62a_100010997973_100000210206 [0,2,0,0,0,0|1,0,0]=3 9596 B12R1.127 CC(C)Sc1nc(ccc1F)N 62a_100000210206_100010892222 [0,2,0,0,0,0|1,0,0]=3 9597 B12R1.127 CC(C)Sc1nc(ccc1F)N 62a_100010892222_100000210206 [0,2,0,0,0,0|1,0,0]=3 9598 B12R1.127 CC(C)Sc1nc(ccc1N)Br 62a_100000210206_100010168765 [0,2,0,0,0,0|1,0,0]=3 9599 B12R1.127 CC(C)Sc1nc(ccc1N)Br 62a_100010168765_100000210206 [0,2,0,0,0,0|1,0,0]=3 9600 B12R1.127 CC(C)Sc1nc(ccc1N)Cl 62a_100000210206_100010233647 [0,2,0,0,0,0|1,0,0]=3 9601 B12R1.127 CC(C)Sc1nc(ccc1N)Cl 62a_100010233647_100000210206 [0,2,0,0,0,0|1,0,0]=3 9602 B12R1.127 CC(C)Sc1nc(ccc1N)F 62a_100000210206_100009879877 [0,2,0,0,0,0|1,0,0]=3 9603 B12R1.127 CC(C)Sc1nc(ccc1N)F 62a_100009879877_100000210206 [0,2,0,0,0,0|1,0,0]=3 9604 B12R1.127 CC(C)Sc1nc(ccc1N)N 62a_100000210206_200009884323 [0,2,0,0,0,0|1,0,0]=3 9605 B12R1.127 CC(C)Sc1nc(ccc1N)N 62a_200009884323_100000210206 [0,2,0,0,0,0|1,0,0]=3 9606 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100000210206_100010253912 [0,2,0,0,0,0|1,0,0]=3 9607 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100010253912_100000210206 [0,2,0,0,0,0|1,0,0]=3 9608 B12R1.127 CC(C)Sc1nc(ccc1O)Cl 62a_100000210206_100000696390 [0,2,0,0,0,0|1,0,0]=3 9609 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100000210206_100010382442 [0,2,0,0,0,0|1,0,0]=3 9610 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100010382442_100000210206 [0,2,0,0,0,0|1,0,0]=3 9611 B12R1.127 CC(C)Sc1nc(cnc1N)Br 62a_100000210206_100010988662 [0,2,0,0,0,0|2,0,0]=4 9612 B12R1.127 CC(C)Sc1nc(cnc1N)Br 62a_100010988662_100000210206 [0,2,0,0,0,0|2,0,0]=4 9613 B12R1.127 CC(C)Sc1nc(ncc1F)N 62a_100000210206_200000093006 [0,2,0,0,0,0|2,0,0]=4 9614 B12R1.127 CC(C)Sc1nc(ncc1F)N 62a_200000093006_100000210206 [0,2,0,0,0,0|2,0,0]=4 9615 B12R1.127 CN(C)Cc1cc(ccc1Br)Br 2230a_100102631434_100011982794 [0,2,0,0,0,0|2,0,0]=4 9616 B12R1.127 CN(C)Cc1cc(ccc1Br)Br 269982a_100102631434_100011982794 [0,2,0,0,0,0|2,0,0]=4 9617 B12R1.127 CN(C)Cc1cc(ccc1Br)Br 270004a_100102631434_100011266429 [0,2,0,0,0,0|2,0,0]=4 9618 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 2230a_100000711432_200000210301 [0,2,0,0,0,0|2,0,0]=4 9619 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 2230a_100102631434_100000733903 [0,2,0,0,0,0|2,0,0]=4 9620 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 269982a_100000711432_200000210301 [0,2,0,0,0,0|2,0,0]=4 9621 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 269982a_100102631434_100000733903 [0,2,0,0,0,0|2,0,0]=4 9622 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 270004a_100102631434_100000746314 [0,2,0,0,0,0|2,0,0]=4 9623 B12R1.127 CN(C)Cc1cc(ccc1Br)F 2230a_100102631434_100000736370 [0,2,0,0,0,0|2,0,0]=4 9624 B12R1.127 CN(C)Cc1cc(ccc1Br)F 269982a_100102631434_100000736370 [0,2,0,0,0,0|2,0,0]=4 9625 B12R1.127 CN(C)Cc1cc(ccc1Br)F 270004a_100102631434_100000766564 [0,2,0,0,0,0|2,0,0]=4 9626 B12R1.127 CN(C)Cc1cc(ccc1Br)I 2230a_100102631434_100012355412 [0,2,0,0,0,0|2,0,0]=4 9627 B12R1.127 CN(C)Cc1cc(ccc1Br)I 269982a_100102631434_100012355412 [0,2,0,0,0,0|2,0,0]=4 9628 B12R1.127 CN(C)Cc1cc(ccc1Cl)Br 2230a_100102631434_100000763347 [0,2,0,0,0,0|2,0,0]=4 9629 B12R1.127 CN(C)Cc1cc(ccc1Cl)Br 269982a_100102631434_100000763347 [0,2,0,0,0,0|2,0,0]=4 9630 B12R1.127 CN(C)Cc1cc(ccc1Cl)Br 270004a_100102631434_100000746309 [0,2,0,0,0,0|2,0,0]=4 9631 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 2230a_100102631434_100000756322 [0,2,0,0,0,0|2,0,0]=4 9632 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 2230a_106354212996_200000210301 [0,2,0,0,0,0|2,0,0]=4 9633 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 269982a_100102631434_100000754809 [0,2,0,0,0,0|2,0,0]=4 9634 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 269982a_106354212996_200000210301 [0,2,0,0,0,0|2,0,0]=4 9635 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 270004a_100102631434_100000746308 [0,2,0,0,0,0|2,0,0]=4 9636 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 34a_106354212996_200000210301 [0,2,0,0,0,0|2,0,0]=4 9637 B12R1.127 CN(C)Cc1cc(ccc1Cl)F 2230a_100102631434_100000709952 [0,2,0,0,0,0|2,0,0]=4 9638 B12R1.127 CN(C)Cc1cc(ccc1Cl)F 269982a_100102631434_100000709952 [0,2,0,0,0,0|2,0,0]=4 9639 B12R1.127 CN(C)Cc1cc(ccc1Cl)F 270004a_100102631434_100011218309 [0,2,0,0,0,0|2,0,0]=4 9640 B12R1.127 CN(C)Cc1cc(ccc1Cl)I 2230a_100102631434_100010188191 [0,2,0,0,0,0|2,0,0]=4 9641 B12R1.127 CN(C)Cc1cc(ccc1Cl)I 269982a_100102631434_100010188191 [0,2,0,0,0,0|2,0,0]=4 9642 B12R1.127 CN(C)Cc1cc(ccc1F)Br 2230a_100000748472_200000210301 [0,2,0,0,0,0|2,0,0]=4 9643 B12R1.127 CN(C)Cc1cc(ccc1F)Br 2230a_100102631434_100000736399 [0,2,0,0,0,0|2,0,0]=4 9644 B12R1.127 CN(C)Cc1cc(ccc1F)Br 269982a_100000748472_200000210301 [0,2,0,0,0,0|2,0,0]=4 9645 B12R1.127 CN(C)Cc1cc(ccc1F)Br 269982a_100102631434_100000736399 [0,2,0,0,0,0|2,0,0]=4 9646 B12R1.127 CN(C)Cc1cc(ccc1F)Br 270004a_100102631434_100000211465 [0,2,0,0,0,0|2,0,0]=4 9647 B12R1.127 CN(C)Cc1cc(ccc1F)Br 34a_100000748472_200000210301 [0,2,0,0,0,0|2,0,0]=4 9648 B12R1.127 CN(C)Cc1cc(ccc1F)Cl 2230a_100102631434_100000716957 [0,2,0,0,0,0|2,0,0]=4 9649 B12R1.127 CN(C)Cc1cc(ccc1F)Cl 269982a_100102631434_100000716957 [0,2,0,0,0,0|2,0,0]=4 9650 B12R1.127 CN(C)Cc1cc(ccc1F)Cl 270004a_100102631434_100000745245 [0,2,0,0,0,0|2,0,0]=4 9651 B12R1.127 CN(C)Cc1cc(ccc1F)F 2230a_100000724026_200000210301 [0,2,0,0,0,0|2,0,0]=4 9652 B12R1.127 CN(C)Cc1cc(ccc1F)F 2230a_100102631434_100000741279 [0,2,0,0,0,0|2,0,0]=4 9653 B12R1.127 CN(C)Cc1cc(ccc1F)F 269982a_100000724026_200000210301 [0,2,0,0,0,0|2,0,0]=4 9654 B12R1.127 CN(C)Cc1cc(ccc1F)F 269982a_100102631434_100000685659 [0,2,0,0,0,0|2,0,0]=4 9655 B12R1.127 CN(C)Cc1cc(ccc1F)F 270004a_100102631434_100000740046 [0,2,0,0,0,0|2,0,0]=4 9656 B12R1.127 CN(C)Cc1cc(ccc1F)F 34a_100000724026_200000210301 [0,2,0,0,0,0|2,0,0]=4 9657 B12R1.127 CN(C)Cc1cc(ccc1F)I 2230a_100102631434_200010149601 [0,2,0,0,0,0|2,0,0]=4 9658 B12R1.127 CN(C)Cc1cc(ccc1F)I 269982a_100102631434_200010149601 [0,2,0,0,0,0|2,0,0]=4 9659 B12R1.127 CN(C)Cc1cc(ccc1F)O 271570a_203496583355_100011597561 [0,2,0,0,0,0|2,0,0]=4 9660 B12R1.127 CN(C)Cc1cc(ccc1I)Br 2230a_100102631434_100012362523 [0,2,0,0,0,0|2,0,0]=4 9661 B12R1.127 CN(C)Cc1cc(ccc1I)Br 269982a_100102631434_100012362523 [0,2,0,0,0,0|2,0,0]=4 9662 B12R1.127 CN(C)Cc1cc(ccc1I)Br 270004a_100102631434_100010185651 [0,2,0,0,0,0|2,0,0]=4 9663 B12R1.127 CN(C)Cc1cc(ccc1I)Cl 2230a_100102631434_100012348826 [0,2,0,0,0,0|2,0,0]=4 9664 B12R1.127 CN(C)Cc1cc(ccc1I)Cl 269982a_100102631434_100012348826 [0,2,0,0,0,0|2,0,0]=4 9665 B12R1.127 CN(C)Cc1cc(ccc1I)Cl 270004a_100102631434_100010254386 [0,2,0,0,0,0|2,0,0]=4 9666 B12R1.127 CN(C)Cc1cc(ccc1I)F 2230a_100102631434_100010149606 [0,2,0,0,0,0|2,0,0]=4 9667 B12R1.127 CN(C)Cc1cc(ccc1I)F 269982a_100102631434_100010149606 [0,2,0,0,0,0|2,0,0]=4 9668 B12R1.127 CN(C)Cc1cc(ccc1I)F 270004a_100102631434_100010186294 [0,2,0,0,0,0|2,0,0]=4 9669 B12R1.127 CN(C)Cc1cc(ccc1O)Br 2230a_100011602694_200000210301 [0,2,0,0,0,0|2,0,0]=4 9670 B12R1.127 CN(C)Cc1cc(ccc1O)Br 269982a_100011602694_200000210301 [0,2,0,0,0,0|2,0,0]=4 9671 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 2230a_100000712467_200000210301 [0,2,0,0,0,0|2,0,0]=4 9672 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 269982a_100000712467_200000210301 [0,2,0,0,0,0|2,0,0]=4 9673 B12R1.127 CN(C)Cc1cc(ccc1O)F 2230a_114855342409_200000210301 [0,2,0,0,0,0|2,0,0]=4 9674 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_100102631434_100010161318 [0,2,0,0,0,0|2,0,0]=4 9675 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_114855342409_200000210301 [0,2,0,0,0,0|2,0,0]=4 9676 B12R1.127 CN(C)Cc1cc(ccc1O)F 34a_114855342409_200000210301 [0,2,0,0,0,0|2,0,0]=4 9677 B12R1.127 CN(C)Cc1cc(ccc1O)O 271570a_203496583355_100011934597 [0,2,0,0,0,0|2,0,0]=4 9678 B12R1.127 CN(C)Cc1nc(ccc1Br)Cl 270004a_100102631434_100000734296 [0,2,0,0,0,0|1,0,0]=3 9679 B12R1.127 CN(C)Cc1nc(ccc1Cl)Cl 2230a_100102631434_100000059412 [0,2,0,0,0,0|1,0,0]=3 9680 B12R1.127 CN(C)Cc1nc(ccc1Cl)Cl 270004a_100102631434_100011935248 [0,2,0,0,0,0|1,0,0]=3 9681 B12R1.127 CN(C)Cc1nc(ccc1F)Br 2230a_100102631434_100010065826 [0,2,0,0,0,0|1,0,0]=3 9682 B12R1.127 CN(C)Cc1nc(ccc1F)Br 269982a_100102631434_100010065826 [0,2,0,0,0,0|1,0,0]=3 9683 B12R1.127 CN(C)Cc1nc(ccc1F)Br 270004a_100102631434_100009814804 [0,2,0,0,0,0|1,0,0]=3 9684 B12R1.127 CN(C)Cc1nc(ccc1F)Cl 2230a_100102631434_100009881012 [0,2,0,0,0,0|1,0,0]=3 9685 B12R1.127 CN(C)Cc1nc(ccc1F)Cl 269982a_100102631434_100009881012 [0,2,0,0,0,0|1,0,0]=3 9686 B12R1.127 CN(C)Cc1nc(ccc1F)Cl 270004a_100102631434_100000050918 [0,2,0,0,0,0|1,0,0]=3 9687 B12R1.127 CN([13CH3])Cc1cc(ccc1Br)Cl 2230a_100000711432_200025704644 [0,2,0,0,0,0|2,0,0]=4 9688 B12R1.127 CN([13CH3])Cc1cc(ccc1Br)Cl 269982a_100000711432_200025704644 [0,2,0,0,0,0|2,0,0]=4 9689 B12R1.127 CN([13CH3])Cc1cc(ccc1Cl)Cl 2230a_106354212996_200025704644 [0,2,0,0,0,0|2,0,0]=4 9690 B12R1.127 CN([13CH3])Cc1cc(ccc1Cl)Cl 269982a_106354212996_200025704644 [0,2,0,0,0,0|2,0,0]=4 9691 B12R1.127 CN([13CH3])Cc1cc(ccc1Cl)Cl 34a_106354212996_200025704644 [0,2,0,0,0,0|2,0,0]=4 9692 B12R1.127 CN([13CH3])Cc1cc(ccc1F)Br 2230a_100000748472_200025704644 [0,2,0,0,0,0|2,0,0]=4 9693 B12R1.127 CN([13CH3])Cc1cc(ccc1F)Br 269982a_100000748472_200025704644 [0,2,0,0,0,0|2,0,0]=4 9694 B12R1.127 CN([13CH3])Cc1cc(ccc1F)Br 34a_100000748472_200025704644 [0,2,0,0,0,0|2,0,0]=4 9695 B12R1.127 CN([13CH3])Cc1cc(ccc1F)F 2230a_100000724026_200025704644 [0,2,0,0,0,0|2,0,0]=4 9696 B12R1.127 CN([13CH3])Cc1cc(ccc1F)F 269982a_100000724026_200025704644 [0,2,0,0,0,0|2,0,0]=4 9697 B12R1.127 CN([13CH3])Cc1cc(ccc1F)F 34a_100000724026_200025704644 [0,2,0,0,0,0|2,0,0]=4 9698 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 2230a_100011602694_200025704644 [0,2,0,0,0,0|2,0,0]=4 9699 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 269982a_100011602694_200025704644 [0,2,0,0,0,0|2,0,0]=4 9700 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 2230a_100000712467_200025704644 [0,2,0,0,0,0|2,0,0]=4 9701 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 269982a_100000712467_200025704644 [0,2,0,0,0,0|2,0,0]=4 9702 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 2230a_114855342409_200025704644 [0,2,0,0,0,0|2,0,0]=4 9703 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 269982a_114855342409_200025704644 [0,2,0,0,0,0|2,0,0]=4 9704 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 34a_114855342409_200025704644 [0,2,0,0,0,0|2,0,0]=4 9705 B12R1.127 Cc1c[nH]c(=O)c(n1)SC(C)C 62a_100000210206_100009858157 [0,2,0,0,0,0|2,0,0]=4 9706 B12R1.127 Cc1c[nH]c(=O)c(n1)SC(C)C 62a_100009858157_100000210206 [0,2,0,0,0,0|2,0,0]=4 9707 B12R1.127 Cc1ccc(c(c1)CN(C)C)Br 270004a_100102631434_100011551863 [0,2,0,0,0,0|2,0,0]=4 9708 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 2230a_100102631434_100000184699 [0,2,0,0,0,0|2,0,0]=4 9709 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 269982a_100102631434_100000184699 [0,2,0,0,0,0|2,0,0]=4 9710 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 270004a_100102631434_100000211343 [0,2,0,0,0,0|2,0,0]=4 9711 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 2230a_100102631434_100009871730 [0,2,0,0,0,0|2,0,0]=4 9712 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 269982a_100102631434_100009871730 [0,2,0,0,0,0|2,0,0]=4 9713 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 270004a_100102631434_100011551332 [0,2,0,0,0,0|2,0,0]=4 9714 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 2230a_100102631434_100011260760 [0,2,0,0,0,0|2,0,0]=4 9715 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 2230a_102515433075_200000210301 [0,2,0,0,0,0|2,0,0]=4 9716 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 269982a_100102631434_100011260760 [0,2,0,0,0,0|2,0,0]=4 9717 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 269982a_102515433075_200000210301 [0,2,0,0,0,0|2,0,0]=4 9718 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 270004a_100102631434_100000756917 [0,2,0,0,0,0|2,0,0]=4 9719 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 34a_102515433075_200000210301 [0,2,0,0,0,0|2,0,0]=4 9720 B12R1.127 Cc1ccc(c(c1)CN(C)C)I 270004a_100102631434_100010150105 [0,2,0,0,0,0|2,0,0]=4 9721 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 2230a_102515433075_200025704644 [0,2,0,0,0,0|2,0,0]=4 9722 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 269982a_102515433075_200025704644 [0,2,0,0,0,0|2,0,0]=4 9723 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 34a_102515433075_200025704644 [0,2,0,0,0,0|2,0,0]=4 9724 B12R1.127 Cc1ccc(c(c1)NC(C)C)Br 34a_100000745044_100000210206 [0,2,0,0,0,0|2,0,0]=4 9725 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 2230a_100000185781_100000210206 [0,2,0,0,0,0|2,0,0]=4 9726 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 34a_100000185781_100000210206 [0,2,0,0,0,0|2,0,0]=4 9727 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 7a_100000185781_100000210206 [0,2,0,0,0,0|2,0,0]=4 9728 B12R1.127 Cc1ccc(c(c1)NC(C)C)Cl 34a_100011215360_100000210206 [0,2,0,0,0,0|2,0,0]=4 9729 B12R1.127 Cc1ccc(c(c1)NC(C)C)F 34a_100000211285_100000210206 [0,2,0,0,0,0|2,0,0]=4 9730 B12R1.127 Cc1ccc(c(c1)NC(C)C)I 34a_100011216686_100000210206 [0,2,0,0,0,0|2,0,0]=4 9731 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [0,2,0,0,0,0|2,0,0]=4 9732 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 34a_100012002257_100000210206 [0,2,0,0,0,0|2,0,0]=4 9733 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 7a_100012002257_100000210206 [0,2,0,0,0,0|2,0,0]=4 9734 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 34a_100000210931_100000210206 [0,2,0,0,0,0|2,0,0]=4 9735 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 7a_100000210931_100000210206 [0,2,0,0,0,0|2,0,0]=4 9736 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 34a_100000211493_100000210206 [0,2,0,0,0,0|2,0,0]=4 9737 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 7a_100000211493_100000210206 [0,2,0,0,0,0|2,0,0]=4 9738 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 34a_100000759540_100000210206 [0,2,0,0,0,0|2,0,0]=4 9739 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 7a_100000759540_100000210206 [0,2,0,0,0,0|2,0,0]=4 9740 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 34a_100000211527_100000210206 [0,2,0,0,0,0|2,0,0]=4 9741 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 7a_100000211527_100000210206 [0,2,0,0,0,0|2,0,0]=4 9742 B12R1.127 Cc1ccc(c(c1)SC(C)C)Br 62a_100000210206_100012353751 [0,2,0,0,0,0|2,0,0]=4 9743 B12R1.127 Cc1ccc(c(c1)SC(C)C)Br 62a_100012353751_100000210206 [0,2,0,0,0,0|2,0,0]=4 9744 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210206_100000210833 [0,2,0,0,0,0|2,0,0]=4 9745 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210833_100000210206 [0,2,0,0,0,0|2,0,0]=4 9746 B12R1.127 Cc1ccc(c(c1)SC(C)C)Cl 62a_100000210206_100012356289 [0,2,0,0,0,0|2,0,0]=4 9747 B12R1.127 Cc1ccc(c(c1)SC(C)C)Cl 62a_100012356289_100000210206 [0,2,0,0,0,0|2,0,0]=4 9748 B12R1.127 Cc1ccc(c(c1)SC(C)C)F 62a_100000210206_100000736223 [0,2,0,0,0,0|2,0,0]=4 9749 B12R1.127 Cc1ccc(c(c1)SC(C)C)F 62a_100000736223_100000210206 [0,2,0,0,0,0|2,0,0]=4 9750 B12R1.127 Cc1ccc(c(c1)SC(C)C)N 62a_100000210206_100011356834 [0,2,0,0,0,0|2,0,0]=4 9751 B12R1.127 Cc1ccc(c(c1)SC(C)C)N 62a_100011356834_100000210206 [0,2,0,0,0,0|2,0,0]=4 9752 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000765521 [0,2,0,0,0,0|2,0,0]=4 9753 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000765521_100000210206 [0,2,0,0,0,0|2,0,0]=4 9754 B12R1.127 Cc1ccc(c(n1)CN(C)C)Br 270004a_100102631434_100010173661 [0,2,0,0,0,0|1,0,0]=3 9755 B12R1.127 Cc1ccc(c(n1)CN(C)C)Cl 2230a_100102631434_200009852033 [0,2,0,0,0,0|1,0,0]=3 9756 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 2230a_100102631434_100020630696 [0,2,0,0,0,0|1,0,0]=3 9757 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 269982a_100102631434_100020630696 [0,2,0,0,0,0|1,0,0]=3 9758 B12R1.127 Cc1ccc(c(n1)OC(C)C)Br 34a_100009817604_100000210206 [0,2,0,0,0,0|1,0,0]=3 9759 B12R1.127 Cc1ccc(c(n1)OC(C)C)N 34a_100000687486_100000210206 [0,2,0,0,0,0|1,0,0]=3 9760 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100000210206_100009854376 [0,2,0,0,0,0|1,0,0]=3 9761 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100009854376_100000210206 [0,2,0,0,0,0|1,0,0]=3 9762 B12R1.127 Cc1ccc(c(n1)SC(C)C)F 62a_100000210206_100009817602 [0,2,0,0,0,0|1,0,0]=3 9763 B12R1.127 Cc1ccc(c(n1)SC(C)C)F 62a_100009817602_100000210206 [0,2,0,0,0,0|1,0,0]=3 9764 B12R1.127 Cc1ccc(c(n1)SC(C)C)N 62a_100000210206_100000685570 [0,2,0,0,0,0|1,0,0]=3 9765 B12R1.127 Cc1ccc(c(n1)SC(C)C)N 62a_100000685570_100000210206 [0,2,0,0,0,0|1,0,0]=3 9766 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000210206_100000702858 [0,2,0,0,0,0|1,0,0]=3 9767 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000702858_100000210206 [0,2,0,0,0,0|1,0,0]=3 9768 B12R1.127 Cc1ccc(cc1CN(C)C)Br 2230a_106744473289_200000210301 [0,2,0,0,0,0|2,0,0]=4 9769 B12R1.127 Cc1ccc(cc1CN(C)C)Br 269982a_106744473289_200000210301 [0,2,0,0,0,0|2,0,0]=4 9770 B12R1.127 Cc1ccc(cc1CN(C)C)Br 270004a_100102631434_100011361606 [0,2,0,0,0,0|2,0,0]=4 9771 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 2230a_100102631434_100012186985 [0,2,0,0,0,0|2,0,0]=4 9772 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 269982a_100102631434_100012186985 [0,2,0,0,0,0|2,0,0]=4 9773 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 270004a_100102631434_100011551331 [0,2,0,0,0,0|2,0,0]=4 9774 B12R1.127 Cc1ccc(cc1CN(C)C)F 2230a_100102631434_100000709795 [0,2,0,0,0,0|2,0,0]=4 9775 B12R1.127 Cc1ccc(cc1CN(C)C)F 269982a_100102631434_100000709795 [0,2,0,0,0,0|2,0,0]=4 9776 B12R1.127 Cc1ccc(cc1CN(C)C)F 270004a_100102631434_100000697687 [0,2,0,0,0,0|2,0,0]=4 9777 B12R1.127 Cc1ccc(cc1CN(C)[13CH3])Br 2230a_106744473289_200025704644 [0,2,0,0,0,0|2,0,0]=4 9778 B12R1.127 Cc1ccc(cc1CN(C)[13CH3])Br 269982a_106744473289_200025704644 [0,2,0,0,0,0|2,0,0]=4 9779 B12R1.127 Cc1ccc(cc1NC(C)C)Br 34a_100000741167_100000210206 [0,2,0,0,0,0|2,0,0]=4 9780 B12R1.127 Cc1ccc(cc1NC(C)C)Br 7a_100000741167_100000210206 [0,2,0,0,0,0|2,0,0]=4 9781 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 34a_100000211374_100000210206 [0,2,0,0,0,0|2,0,0]=4 9782 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 7a_100000211374_100000210206 [0,2,0,0,0,0|2,0,0]=4 9783 B12R1.127 Cc1ccc(cc1NC(C)C)F 34a_100000211107_100000210206 [0,2,0,0,0,0|2,0,0]=4 9784 B12R1.127 Cc1ccc(cc1NC(C)C)F 7a_100000211107_100000210206 [0,2,0,0,0,0|2,0,0]=4 9785 B12R1.127 Cc1ccc(cc1NC(C)C)I 7a_100000761890_100000210206 [0,2,0,0,0,0|2,0,0]=4 9786 B12R1.127 Cc1ccc(cc1NC(C)C)O 271570a_203496583355_200000714908 [0,2,0,0,0,0|2,0,0]=4 9787 B12R1.127 Cc1ccc(cc1NC(C)C)O 34a_100011216113_100000210206 [0,2,0,0,0,0|2,0,0]=4 9788 B12R1.127 Cc1ccc(cc1OC(C)C)Br 34a_100000685420_100000210206 [0,2,0,0,0,0|2,0,0]=4 9789 B12R1.127 Cc1ccc(cc1OC(C)C)Br 7a_100000685420_100000210206 [0,2,0,0,0,0|2,0,0]=4 9790 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 34a_100000756515_100000210206 [0,2,0,0,0,0|2,0,0]=4 9791 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 7a_100000756515_100000210206 [0,2,0,0,0,0|2,0,0]=4 9792 B12R1.127 Cc1ccc(cc1OC(C)C)F 34a_100000690566_100000210206 [0,2,0,0,0,0|2,0,0]=4 9793 B12R1.127 Cc1ccc(cc1OC(C)C)F 7a_100000690566_100000210206 [0,2,0,0,0,0|2,0,0]=4 9794 B12R1.127 Cc1ccc(cc1OC(C)C)I 7a_100000766334_100000210206 [0,2,0,0,0,0|2,0,0]=4 9795 B12R1.127 Cc1ccc(cc1OC(C)C)N 34a_100000759471_100000210206 [0,2,0,0,0,0|2,0,0]=4 9796 B12R1.127 Cc1ccc(cc1OC(C)C)N 7a_100000759471_100000210206 [0,2,0,0,0,0|2,0,0]=4 9797 B12R1.127 Cc1ccc(cc1OC(C)C)O 271570a_203496583355_200012359587 [0,2,0,0,0,0|2,0,0]=4 9798 B12R1.127 Cc1ccc(cc1SC(C)C)Br 62a_100000210206_100011344865 [0,2,0,0,0,0|2,0,0]=4 9799 B12R1.127 Cc1ccc(cc1SC(C)C)Br 62a_100011344865_100000210206 [0,2,0,0,0,0|2,0,0]=4 9800 B12R1.127 Cc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011263213 [0,2,0,0,0,0|2,0,0]=4 9801 B12R1.127 Cc1ccc(cc1SC(C)C)Cl 62a_100011263213_100000210206 [0,2,0,0,0,0|2,0,0]=4 9802 B12R1.127 Cc1ccc(cc1SC(C)C)F 62a_100000210206_100011218078 [0,2,0,0,0,0|2,0,0]=4 9803 B12R1.127 Cc1ccc(cc1SC(C)C)F 62a_100011218078_100000210206 [0,2,0,0,0,0|2,0,0]=4 9804 B12R1.127 Cc1ccc(cc1SC(C)C)N 62a_100000210206_100000736455 [0,2,0,0,0,0|2,0,0]=4 9805 B12R1.127 Cc1ccc(cc1SC(C)C)N 62a_100000736455_100000210206 [0,2,0,0,0,0|2,0,0]=4 9806 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100000210206_100011380479 [0,2,0,0,0,0|2,0,0]=4 9807 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100011380479_100000210206 [0,2,0,0,0,0|2,0,0]=4 9808 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000126722_100000210206 [0,2,0,0,0,0|1,0,0]=3 9809 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000210206_100000126722 [0,2,0,0,0,0|1,0,0]=3 9810 B12R1.127 Cc1cnc(c(n1)NC(C)C)C 27a_100138425928_100000211308 [0,2,0,0,0,0|2,0,0]=4 9811 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000210206_100000211308 [0,2,0,0,0,0|2,0,0]=4 9812 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000211308_100000210206 [0,2,0,0,0,0|2,0,0]=4 9813 B12R1.127 Cc1cnc(c(n1)SC(C)C)N 62a_100000210206_100009819049 [0,2,0,0,0,0|2,0,0]=4 9814 B12R1.127 Cc1cnc(c(n1)SC(C)C)N 62a_100009819049_100000210206 [0,2,0,0,0,0|2,0,0]=4 9815 B12R1.127 Cc1cnc(nc1NC(C)C)N 27a_100138425928_100000016107 [0,2,0,0,0,0|2,0,0]=4 9816 B12R1.127 Cc1cnc(nc1SC(C)C)N 62a_100000016107_100000210206 [0,2,0,0,0,0|2,0,0]=4 9817 B12R1.127 Cc1cnc(nc1SC(C)C)N 62a_100000210206_100000016107 [0,2,0,0,0,0|2,0,0]=4 9818 B12R1.127 Cc1ncc(c(n1)NC(C)C)F 27a_100138425928_100000059819 [0,2,0,0,0,0|2,0,0]=4 9819 B12R1.127 Cc1ncc(c(n1)NC(C)C)N 27a_100138425928_100009873743 [0,2,0,0,0,0|2,0,0]=4 9820 B12R1.127 Cc1ncc(c(n1)SC(C)C)F 62a_100000059819_100000210206 [0,2,0,0,0,0|2,0,0]=4 9821 B12R1.127 Cc1ncc(c(n1)SC(C)C)F 62a_100000210206_100000059819 [0,2,0,0,0,0|2,0,0]=4 9822 B12R1.127 Cc1ncc(c(n1)SC(C)C)N 62a_100000210206_100009873743 [0,2,0,0,0,0|2,0,0]=4 9823 B12R1.127 Cc1ncc(c(n1)SC(C)C)N 62a_100009873743_100000210206 [0,2,0,0,0,0|2,0,0]=4 9824 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100000210206_100009877824 [0,2,0,0,0,0|2,0,0]=4 9825 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100009877824_100000210206 [0,2,0,0,0,0|2,0,0]=4 9826 B12R1.151 CC(C)(C)Nc1ccccc1Br 34a_100000210017_100000210625 [0,2,0,0,0,0|2,0,0]=4 9827 B12R1.151 CC(C)(C)Nc1ccccc1Cl 34a_100000185783_100000210625 [0,2,0,0,0,0|2,0,0]=4 9828 B12R1.151 CC(C)(C)Nc1ccccc1F 34a_100000210422_100000210625 [0,2,0,0,0,0|2,0,0]=4 9829 B12R1.151 CC(C)(C)Nc1ccccc1I 34a_100000210053_100000210625 [0,2,0,0,0,0|2,0,0]=4 9830 B12R1.151 CC(C)(C)Nc1ccccc1O 34a_100000185747_100000210625 [0,2,0,0,0,0|2,0,0]=4 9831 B12R1.151 CC(C)(C)Oc1ccccc1Br 34a_100000181306_100000210625 [0,2,0,0,0,0|2,0,0]=4 9832 B12R1.151 CC(C)(C)Oc1ccccc1Cl 34a_100000210172_100000210625 [0,2,0,0,0,0|2,0,0]=4 9833 B12R1.151 CC(C)(C)Oc1ccccc1F 34a_100000210171_100000210625 [0,2,0,0,0,0|2,0,0]=4 9834 B12R1.151 CC(C)(C)Oc1ccccc1I 34a_100000739446_100000210625 [0,2,0,0,0,0|2,0,0]=4 9835 B12R1.151 CC(C)(C)Oc1ccccc1N 34a_100000185747_100000210625 [0,2,0,0,0,0|2,0,0]=4 9836 B12R1.151 CC(C)(C)Oc1ccccc1O 271570a_203496583355_100010078496 [0,2,0,0,0,0|2,0,0]=4 9837 B12R1.151 CC(C)(C)Oc1ncccc1Cl 34a_100011290957_100000210625 [0,2,0,0,0,0|1,0,0]=3 9838 B12R1.151 CC(C)(C)Oc1ncccc1F 34a_100011219419_100000210625 [0,2,0,0,0,0|1,0,0]=3 9839 B12R1.151 CC(C)(C)Oc1ncccc1N 34a_100000746358_100000210625 [0,2,0,0,0,0|1,0,0]=3 9840 B12R1.151 CC(C)(C)Oc1ncccc1O 271570a_203496583355_100011465193 [0,2,0,0,0,0|1,0,0]=3 9841 B12R1.151 CC(C)(C)Sc1cccc[n+]1[O-] 62a_100000211941_200000042595 [0,2,0,0,0,0|1,0,1]=4 9842 B12R1.151 CC(C)(C)Sc1ccccc1Br 62a_100000211941_100000695589 [0,2,0,0,0,0|2,0,0]=4 9843 B12R1.151 CC(C)(C)Sc1ccccc1Br 62a_100000695589_100000211941 [0,2,0,0,0,0|2,0,0]=4 9844 B12R1.151 CC(C)(C)Sc1ccccc1Cl 62a_100000211941_100000764095 [0,2,0,0,0,0|2,0,0]=4 9845 B12R1.151 CC(C)(C)Sc1ccccc1Cl 62a_100000764095_100000211941 [0,2,0,0,0,0|2,0,0]=4 9846 B12R1.151 CC(C)(C)Sc1ccccc1F 62a_100000211941_100011215700 [0,2,0,0,0,0|2,0,0]=4 9847 B12R1.151 CC(C)(C)Sc1ccccc1F 62a_100011215700_100000211941 [0,2,0,0,0,0|2,0,0]=4 9848 B12R1.151 CC(C)(C)Sc1ccccc1N 62a_100000210017_100000211941 [0,2,0,0,0,0|2,0,0]=4 9849 B12R1.151 CC(C)(C)Sc1ccccc1N 62a_100000211941_100000210017 [0,2,0,0,0,0|2,0,0]=4 9850 B12R1.151 CC(C)(C)Sc1ccccc1O 62a_100000211941_100000739446 [0,2,0,0,0,0|2,0,0]=4 9851 B12R1.151 CC(C)(C)Sc1ccccc1O 62a_100000739446_100000211941 [0,2,0,0,0,0|2,0,0]=4 9852 B12R1.151 CC(C)(C)Sc1ncc[nH]c1=O 62a_100000211941_100000763361 [0,2,0,0,0,0|2,0,0]=4 9853 B12R1.151 CC(C)(C)Sc1ncccc1Br 62a_100000211941_100000696092 [0,2,0,0,0,0|1,0,0]=3 9854 B12R1.151 CC(C)(C)Sc1ncccc1Br 62a_100000696092_100000211941 [0,2,0,0,0,0|1,0,0]=3 9855 B12R1.151 CC(C)(C)Sc1ncccc1Cl 62a_100000211941_100011356963 [0,2,0,0,0,0|1,0,0]=3 9856 B12R1.151 CC(C)(C)Sc1ncccc1Cl 62a_100011356963_100000211941 [0,2,0,0,0,0|1,0,0]=3 9857 B12R1.151 CC(C)(C)Sc1ncccc1F 62a_100000211941_100000685392 [0,2,0,0,0,0|1,0,0]=3 9858 B12R1.151 CC(C)(C)Sc1ncccc1F 62a_100000685392_100000211941 [0,2,0,0,0,0|1,0,0]=3 9859 B12R1.151 CC(C)(C)Sc1ncccc1N 62a_100000211941_100000688686 [0,2,0,0,0,0|1,0,0]=3 9860 B12R1.151 CC(C)(C)Sc1ncccc1N 62a_100000688686_100000211941 [0,2,0,0,0,0|1,0,0]=3 9861 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000034122_100000211941 [0,2,0,0,0,0|1,0,0]=3 9862 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000211941_100000034122 [0,2,0,0,0,0|1,0,0]=3 9863 B12R1.151 CC(C)(C)Sc1nccnc1Cl 62a_100000211941_100010886584 [0,2,0,0,0,0|2,0,0]=4 9864 B12R1.151 CC(C)(C)Sc1nccnc1Cl 62a_100010886584_100000211941 [0,2,0,0,0,0|2,0,0]=4 9865 B12R1.151 CC(C)(C)Sc1nccnc1F 62a_100000211941_200010125657 [0,2,0,0,0,0|2,0,0]=4 9866 B12R1.151 CC(C)(C)Sc1nccnc1F 62a_200010125657_100000211941 [0,2,0,0,0,0|2,0,0]=4 9867 B12R1.151 CC(C)(C)Sc1nccnc1N 62a_100000211941_100000747729 [0,2,0,0,0,0|2,0,0]=4 9868 B12R1.151 CC(C)(C)Sc1nccnc1N 62a_100000747729_100000211941 [0,2,0,0,0,0|2,0,0]=4 9869 B12R1.151 CC(C)(C)Sc1ncncc1F 62a_100000069762_100000211941 [0,2,0,0,0,0|2,0,0]=4 9870 B12R1.151 CC(C)(C)Sc1ncncc1F 62a_100000211941_100000069762 [0,2,0,0,0,0|2,0,0]=4 9871 B12R1.151 CC(C)(C)Sc1ncncc1N 62a_100000211941_100000709731 [0,2,0,0,0,0|2,0,0]=4 9872 B12R1.151 CC(C)(C)Sc1ncncc1N 62a_100000709731_100000211941 [0,2,0,0,0,0|2,0,0]=4 9873 B12R1.151 CC(C)(N)Cc1ccccc1O 271570a_203496583355_100161000475 [0,2,0,0,0,0|1,0,0]=3 9874 B12R1.151 C[n+]1ccccc1SC(C)(C)C 62a_100000211941_100000212160 [0,2,0,0,0,0|1,0,1]=4 9875 B12R1.151 Cc1ccccc1NC(C)(C)C 34a_100015192222_100000210625 [0,2,0,0,0,0|2,0,0]=4 9876 B12R1.151 Cc1ccccc1OC(C)(C)C 34a_100000210338_100000210625 [0,2,0,0,0,0|2,0,0]=4 9877 B12R1.151 Cc1ccccc1SC(C)(C)C 62a_100000210755_100000211941 [0,2,0,0,0,0|2,0,0]=4 9878 B12R1.151 Cc1ccccc1SC(C)(C)C 62a_100000211941_100000210755 [0,2,0,0,0,0|2,0,0]=4 9879 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000211941_100000751373 [0,2,0,0,0,0|1,0,0]=3 9880 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000751373_100000211941 [0,2,0,0,0,0|1,0,0]=3 9881 B12R1.151 Cc1ccnnc1SC(C)(C)C 62a_100000211941_100000089043 [0,2,0,0,0,0|2,0,0]=4 9882 B12R1.151 Cc1cncnc1SC(C)(C)C 62a_100000211941_100011998708 [0,2,0,0,0,0|2,0,0]=4 9883 B12R1.151 Cc1cncnc1SC(C)(C)C 62a_100011998708_100000211941 [0,2,0,0,0,0|2,0,0]=4 9884 B12R1.151 Cc1nccnc1OC(C)(C)C 34a_100000766352_100000210625 [0,2,0,0,0,0|2,0,0]=4 9885 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100000211941_100011999405 [0,2,0,0,0,0|2,0,0]=4 9886 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100011999405_100000211941 [0,2,0,0,0,0|2,0,0]=4 9887 B12R1.224 CC(=Cc1nccc(c1C)C)C 271570a_100102525489_100009847204 [0,2,0,0,0,0|0,0,2]=4 9888 B12R1.224 CC(=Cc1nccc(c1C)F)C 271570a_100102525489_100009846374 [0,2,0,0,0,0|0,0,2]=4 9889 B12R1.224 CC(=Cc1nccc(c1C)N)C 271570a_100102525489_100009980296 [0,2,0,0,0,0|0,0,2]=4 9890 B12R1.224 CC(=Cc1nccc(c1F)C)C 271570a_100102525489_100009817629 [0,2,0,0,0,0|0,0,2]=4 9891 B12R1.224 CC(=Cc1nccc(c1F)N)C 271570a_100102525489_100015205195 [0,2,0,0,0,0|0,0,2]=4 9892 B12R1.224 CC(=Cc1nccc(c1F)O)C 271570a_100102525489_100009876375 [0,2,0,0,0,0|0,0,2]=4 9893 B12R1.224 CC(=Cc1nccc(c1N)C)C 271570a_100102525489_100000763560 [0,2,0,0,0,0|0,0,2]=4 9894 B12R1.224 CC(=Cc1nccc(c1N)N)C 271570a_100102525489_100000085203 [0,2,0,0,0,0|0,0,2]=4 9895 B12R1.224 CC(=Cc1nccc(c1N)O)C 271570a_100102525489_100000128729 [0,2,0,0,0,0|0,0,2]=4 9896 B12R1.224 CC(=Cc1nccc(c1O)C)C 271570a_100102525489_100000696282 [0,2,0,0,0,0|0,0,2]=4 9897 B12R1.224 CC(=Cc1nccc(c1O)F)C 271570a_100102525489_100009867227 [0,2,0,0,0,0|0,0,2]=4 9898 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,2,0,0,0,0|1,0,1]=4 9899 B12R1.224 CC(C)Nc1cccc(c1Br)Cl 34a_100000687072_100000210206 [0,2,0,0,0,0|2,0,0]=4 9900 B12R1.224 CC(C)Nc1cccc(c1Br)F 34a_100011934729_100000210206 [0,2,0,0,0,0|2,0,0]=4 9901 B12R1.224 CC(C)Nc1cccc(c1Br)O 34a_100012183704_100000210206 [0,2,0,0,0,0|2,0,0]=4 9902 B12R1.224 CC(C)Nc1cccc(c1Br)O 7a_100012183704_100000210206 [0,2,0,0,0,0|2,0,0]=4 9903 B12R1.224 CC(C)Nc1cccc(c1Cl)Br 34a_100000687075_100000210206 [0,2,0,0,0,0|2,0,0]=4 9904 B12R1.224 CC(C)Nc1cccc(c1Cl)Cl 34a_100000185733_100000210206 [0,2,0,0,0,0|2,0,0]=4 9905 B12R1.224 CC(C)Nc1cccc(c1Cl)F 34a_100000692321_100000210206 [0,2,0,0,0,0|2,0,0]=4 9906 B12R1.224 CC(C)Nc1cccc(c1Cl)O 34a_100012002038_100000210206 [0,2,0,0,0,0|2,0,0]=4 9907 B12R1.224 CC(C)Nc1cccc(c1Cl)O 7a_100012002038_100000210206 [0,2,0,0,0,0|2,0,0]=4 9908 B12R1.224 CC(C)Nc1cccc(c1F)Br 2230a_100011935091_100000210206 [0,2,0,0,0,0|2,0,0]=4 9909 B12R1.224 CC(C)Nc1cccc(c1F)Br 34a_100011935091_100000210206 [0,2,0,0,0,0|2,0,0]=4 9910 B12R1.224 CC(C)Nc1cccc(c1F)Cl 2230a_100000199060_100000210206 [0,2,0,0,0,0|2,0,0]=4 9911 B12R1.224 CC(C)Nc1cccc(c1F)Cl 34a_100000199060_100000210206 [0,2,0,0,0,0|2,0,0]=4 9912 B12R1.224 CC(C)Nc1cccc(c1F)F 34a_100000743855_100000210206 [0,2,0,0,0,0|2,0,0]=4 9913 B12R1.224 CC(C)Nc1cccc(c1I)Br 34a_100020590159_100000210206 [0,2,0,0,0,0|2,0,0]=4 9914 B12R1.224 CC(C)Nc1cccc(c1I)Cl 34a_100000049713_100000210206 [0,2,0,0,0,0|2,0,0]=4 9915 B12R1.224 CC(C)Nc1cccc(c1I)F 34a_100000690935_100000210206 [0,2,0,0,0,0|2,0,0]=4 9916 B12R1.224 CC(C)Nc1cccc(c1O)Br 34a_100011934915_100000210206 [0,2,0,0,0,0|2,0,0]=4 9917 B12R1.224 CC(C)Nc1cccc(c1O)Cl 34a_100000754742_100000210206 [0,2,0,0,0,0|2,0,0]=4 9918 B12R1.224 CC(C)Nc1cccc(c1O)F 34a_100011934987_100000210206 [0,2,0,0,0,0|2,0,0]=4 9919 B12R1.224 CC(C)Nc1ncnc(c1F)N 27a_100138425928_100000126652 [0,2,0,0,0,0|2,0,0]=4 9920 B12R1.224 CC(C)Oc1cccc(c1Br)Br 34a_100010187966_100000210206 [0,2,0,0,0,0|2,0,0]=4 9921 B12R1.224 CC(C)Oc1cccc(c1Br)Br 7a_100010187966_100000210206 [0,2,0,0,0,0|2,0,0]=4 9922 B12R1.224 CC(C)Oc1cccc(c1Br)Cl 34a_100012348804_100000210206 [0,2,0,0,0,0|2,0,0]=4 9923 B12R1.224 CC(C)Oc1cccc(c1Br)Cl 7a_100012348804_100000210206 [0,2,0,0,0,0|2,0,0]=4 9924 B12R1.224 CC(C)Oc1cccc(c1Br)F 34a_100009820682_100000210206 [0,2,0,0,0,0|2,0,0]=4 9925 B12R1.224 CC(C)Oc1cccc(c1Br)F 7a_100009820682_100000210206 [0,2,0,0,0,0|2,0,0]=4 9926 B12R1.224 CC(C)Oc1cccc(c1Br)I 34a_100010187914_100000210206 [0,2,0,0,0,0|2,0,0]=4 9927 B12R1.224 CC(C)Oc1cccc(c1Br)I 7a_100010187914_100000210206 [0,2,0,0,0,0|2,0,0]=4 9928 B12R1.224 CC(C)Oc1cccc(c1Br)N 34a_100012183704_100000210206 [0,2,0,0,0,0|2,0,0]=4 9929 B12R1.224 CC(C)Oc1cccc(c1Br)N 7a_100012183704_100000210206 [0,2,0,0,0,0|2,0,0]=4 9930 B12R1.224 CC(C)Oc1cccc(c1Cl)Br 34a_100010187913_100000210206 [0,2,0,0,0,0|2,0,0]=4 9931 B12R1.224 CC(C)Oc1cccc(c1Cl)Br 7a_100010187913_100000210206 [0,2,0,0,0,0|2,0,0]=4 9932 B12R1.224 CC(C)Oc1cccc(c1Cl)Cl 34a_100000211076_100000210206 [0,2,0,0,0,0|2,0,0]=4 9933 B12R1.224 CC(C)Oc1cccc(c1Cl)Cl 7a_100000211076_100000210206 [0,2,0,0,0,0|2,0,0]=4 9934 B12R1.224 CC(C)Oc1cccc(c1Cl)F 34a_100000087408_100000210206 [0,2,0,0,0,0|2,0,0]=4 9935 B12R1.224 CC(C)Oc1cccc(c1Cl)F 7a_100000087408_100000210206 [0,2,0,0,0,0|2,0,0]=4 9936 B12R1.224 CC(C)Oc1cccc(c1Cl)I 34a_100000049636_100000210206 [0,2,0,0,0,0|2,0,0]=4 9937 B12R1.224 CC(C)Oc1cccc(c1Cl)I 7a_100000049636_100000210206 [0,2,0,0,0,0|2,0,0]=4 9938 B12R1.224 CC(C)Oc1cccc(c1Cl)N 34a_100012002038_100000210206 [0,2,0,0,0,0|2,0,0]=4 9939 B12R1.224 CC(C)Oc1cccc(c1Cl)N 7a_100012002038_100000210206 [0,2,0,0,0,0|2,0,0]=4 9940 B12R1.224 CC(C)Oc1cccc(c1F)Br 34a_100009817021_100000210206 [0,2,0,0,0,0|2,0,0]=4 9941 B12R1.224 CC(C)Oc1cccc(c1F)Br 7a_100009817021_100000210206 [0,2,0,0,0,0|2,0,0]=4 9942 B12R1.224 CC(C)Oc1cccc(c1F)Cl 34a_100000687438_100000210206 [0,2,0,0,0,0|2,0,0]=4 9943 B12R1.224 CC(C)Oc1cccc(c1F)Cl 7a_100000687438_100000210206 [0,2,0,0,0,0|2,0,0]=4 9944 B12R1.224 CC(C)Oc1cccc(c1F)F 34a_100000751161_100000210206 [0,2,0,0,0,0|2,0,0]=4 9945 B12R1.224 CC(C)Oc1cccc(c1F)F 7a_100000751161_100000210206 [0,2,0,0,0,0|2,0,0]=4 9946 B12R1.224 CC(C)Oc1cccc(c1I)Br 34a_100010187912_100000210206 [0,2,0,0,0,0|2,0,0]=4 9947 B12R1.224 CC(C)Oc1cccc(c1I)Br 7a_100010187912_100000210206 [0,2,0,0,0,0|2,0,0]=4 9948 B12R1.224 CC(C)Oc1cccc(c1I)Cl 34a_100000050174_100000210206 [0,2,0,0,0,0|2,0,0]=4 9949 B12R1.224 CC(C)Oc1cccc(c1I)Cl 7a_100000050174_100000210206 [0,2,0,0,0,0|2,0,0]=4 9950 B12R1.224 CC(C)Oc1cccc(c1I)F 34a_100000690913_100000210206 [0,2,0,0,0,0|2,0,0]=4 9951 B12R1.224 CC(C)Oc1cccc(c1I)F 7a_100000690913_100000210206 [0,2,0,0,0,0|2,0,0]=4 9952 B12R1.224 CC(C)Oc1cccc(c1N)Br 34a_100011934926_100000210206 [0,2,0,0,0,0|2,0,0]=4 9953 B12R1.224 CC(C)Oc1cccc(c1N)Br 7a_100011934926_100000210206 [0,2,0,0,0,0|2,0,0]=4 9954 B12R1.224 CC(C)Oc1cccc(c1N)Cl 34a_100012022510_100000210206 [0,2,0,0,0,0|2,0,0]=4 9955 B12R1.224 CC(C)Oc1cccc(c1N)Cl 7a_100012022510_100000210206 [0,2,0,0,0,0|2,0,0]=4 9956 B12R1.224 CC(C)Oc1cccc(c1N)F 34a_100020591140_100000210206 [0,2,0,0,0,0|2,0,0]=4 9957 B12R1.224 CC(C)Oc1cccc(c1N)F 7a_100020591140_100000210206 [0,2,0,0,0,0|2,0,0]=4 9958 B12R1.224 CC(C)Oc1cccc(c1N)I 34a_200000049512_100000210206 [0,2,0,0,0,0|2,0,0]=4 9959 B12R1.224 CC(C)Oc1cccc(c1N)I 7a_200000049512_100000210206 [0,2,0,0,0,0|2,0,0]=4 9960 B12R1.224 CC(C)Oc1cccc(c1N)N 34a_100000033209_100000210206 [0,2,0,0,0,0|2,0,0]=4 9961 B12R1.224 CC(C)Oc1nccc(c1Cl)N 34a_200000093555_100000210206 [0,2,0,0,0,0|1,0,0]=3 9962 B12R1.224 CC(C)Sc1cccc(=O)n1C 62a_100000210206_100000726605 [0,2,0,0,0,0|1,0,1]=4 9963 B12R1.224 CC(C)Sc1cccc(=O)n1C 62a_100000726605_100000210206 [0,2,0,0,0,0|1,0,1]=4 9964 B12R1.224 CC(C)Sc1cccc(c1Br)Br 62a_100000210206_100010175083 [0,2,0,0,0,0|2,0,0]=4 9965 B12R1.224 CC(C)Sc1cccc(c1Br)Br 62a_100010175083_100000210206 [0,2,0,0,0,0|2,0,0]=4 9966 B12R1.224 CC(C)Sc1cccc(c1Br)Cl 62a_100000210206_100014021842 [0,2,0,0,0,0|2,0,0]=4 9967 B12R1.224 CC(C)Sc1cccc(c1Br)Cl 62a_100014021842_100000210206 [0,2,0,0,0,0|2,0,0]=4 9968 B12R1.224 CC(C)Sc1cccc(c1Br)F 62a_100000210206_100010202630 [0,2,0,0,0,0|2,0,0]=4 9969 B12R1.224 CC(C)Sc1cccc(c1Br)F 62a_100010202630_100000210206 [0,2,0,0,0,0|2,0,0]=4 9970 B12R1.224 CC(C)Sc1cccc(c1Br)O 62a_100000210206_100010187914 [0,2,0,0,0,0|2,0,0]=4 9971 B12R1.224 CC(C)Sc1cccc(c1Br)O 62a_100010187914_100000210206 [0,2,0,0,0,0|2,0,0]=4 9972 B12R1.224 CC(C)Sc1cccc(c1Cl)Br 62a_100000210206_100010142854 [0,2,0,0,0,0|2,0,0]=4 9973 B12R1.224 CC(C)Sc1cccc(c1Cl)Br 62a_100010142854_100000210206 [0,2,0,0,0,0|2,0,0]=4 9974 B12R1.224 CC(C)Sc1cccc(c1Cl)Cl 62a_100000210206_100011215384 [0,2,0,0,0,0|2,0,0]=4 9975 B12R1.224 CC(C)Sc1cccc(c1Cl)Cl 62a_100011215384_100000210206 [0,2,0,0,0,0|2,0,0]=4 9976 B12R1.224 CC(C)Sc1cccc(c1Cl)F 62a_100000210206_200010234923 [0,2,0,0,0,0|2,0,0]=4 9977 B12R1.224 CC(C)Sc1cccc(c1Cl)F 62a_200010234923_100000210206 [0,2,0,0,0,0|2,0,0]=4 9978 B12R1.224 CC(C)Sc1cccc(c1Cl)O 62a_100000210206_100000049636 [0,2,0,0,0,0|2,0,0]=4 9979 B12R1.224 CC(C)Sc1cccc(c1F)Br 62a_100000210206_100000702267 [0,2,0,0,0,0|2,0,0]=4 9980 B12R1.224 CC(C)Sc1cccc(c1F)Br 62a_100000702267_100000210206 [0,2,0,0,0,0|2,0,0]=4 9981 B12R1.224 CC(C)Sc1cccc(c1F)Cl 62a_100000210206_100011217346 [0,2,0,0,0,0|2,0,0]=4 9982 B12R1.224 CC(C)Sc1cccc(c1F)Cl 62a_100011217346_100000210206 [0,2,0,0,0,0|2,0,0]=4 9983 B12R1.224 CC(C)Sc1cccc(c1F)F 62a_100000210206_100000694657 [0,2,0,0,0,0|2,0,0]=4 9984 B12R1.224 CC(C)Sc1cccc(c1F)F 62a_100000694657_100000210206 [0,2,0,0,0,0|2,0,0]=4 9985 B12R1.224 CC(C)Sc1cccc(c1F)N 62a_100000210206_100011935091 [0,2,0,0,0,0|2,0,0]=4 9986 B12R1.224 CC(C)Sc1cccc(c1F)N 62a_100011935091_100000210206 [0,2,0,0,0,0|2,0,0]=4 9987 B12R1.224 CC(C)Sc1cccc(c1F)O 62a_100000210206_100009817021 [0,2,0,0,0,0|2,0,0]=4 9988 B12R1.224 CC(C)Sc1cccc(c1F)O 62a_100009817021_100000210206 [0,2,0,0,0,0|2,0,0]=4 9989 B12R1.224 CC(C)Sc1cccc(c1N)Br 62a_100000210206_100010146558 [0,2,0,0,0,0|2,0,0]=4 9990 B12R1.224 CC(C)Sc1cccc(c1N)Br 62a_100010146558_100000210206 [0,2,0,0,0,0|2,0,0]=4 9991 B12R1.224 CC(C)Sc1cccc(c1N)Cl 62a_100000210206_100010190421 [0,2,0,0,0,0|2,0,0]=4 9992 B12R1.224 CC(C)Sc1cccc(c1N)Cl 62a_100010190421_100000210206 [0,2,0,0,0,0|2,0,0]=4 9993 B12R1.224 CC(C)Sc1cccc(c1N)F 62a_100000042321_100000210206 [0,2,0,0,0,0|2,0,0]=4 9994 B12R1.224 CC(C)Sc1cccc(c1N)F 62a_100000210206_100000042321 [0,2,0,0,0,0|2,0,0]=4 9995 B12R1.224 CC(C)Sc1cccc(c1N)N 62a_100015191791_100000210206 [0,2,0,0,0,0|2,0,0]=4 9996 B12R1.224 CC(C)Sc1cccc(c1N)O 62a_100000210206_100011934926 [0,2,0,0,0,0|2,0,0]=4 9997 B12R1.224 CC(C)Sc1cccc(c1O)Br 62a_100000210206_100010084509 [0,2,0,0,0,0|2,0,0]=4 9998 B12R1.224 CC(C)Sc1cccc(c1O)Br 62a_100010084509_100000210206 [0,2,0,0,0,0|2,0,0]=4 9999 B12R1.224 CC(C)Sc1cccc(c1O)Cl 62a_100000210206_100010202889 [0,2,0,0,0,0|2,0,0]=4 10000 B12R1.224 CC(C)Sc1cccc(c1O)Cl 62a_100010202889_100000210206 [0,2,0,0,0,0|2,0,0]=4 10001 B12R1.224 CC(C)Sc1cccc(c1O)F 62a_100000210206_100009813666 [0,2,0,0,0,0|2,0,0]=4 10002 B12R1.224 CC(C)Sc1cccc(c1O)F 62a_100009813666_100000210206 [0,2,0,0,0,0|2,0,0]=4 10003 B12R1.224 CC(C)Sc1cccc(c1O)N 62a_100000210206_100010084371 [0,2,0,0,0,0|2,0,0]=4 10004 B12R1.224 CC(C)Sc1cccc(c1O)N 62a_100011934915_100000210206 [0,2,0,0,0,0|2,0,0]=4 10005 B12R1.224 CC(C)Sc1cccc(c1O)O 62a_100000210206_100009815950 [0,2,0,0,0,0|2,0,0]=4 10006 B12R1.224 CC(C)Sc1nccc(c1F)N 62a_100000210206_100015205195 [0,2,0,0,0,0|1,0,0]=3 10007 B12R1.224 CC(C)Sc1nccc(c1F)N 62a_100015205195_100000210206 [0,2,0,0,0,0|1,0,0]=3 10008 B12R1.224 CC(C)Sc1nccc(c1F)O 62a_100000210206_100009876375 [0,2,0,0,0,0|1,0,0]=3 10009 B12R1.224 CC(C)Sc1nccc(c1F)O 62a_100009876375_100000210206 [0,2,0,0,0,0|1,0,0]=3 10010 B12R1.224 CC(C)Sc1nccc(c1N)N 62a_100000085203_100000210206 [0,2,0,0,0,0|1,0,0]=3 10011 B12R1.224 CC(C)Sc1nccc(c1N)N 62a_100000210206_100000085203 [0,2,0,0,0,0|1,0,0]=3 10012 B12R1.224 CC(C)Sc1nccc(c1O)F 62a_100000210206_100009867227 [0,2,0,0,0,0|1,0,0]=3 10013 B12R1.224 CC(C)Sc1nccc(c1O)N 62a_100000210206_100009844647 [0,2,0,0,0,0|1,0,0]=3 10014 B12R1.224 CC(C)Sc1ncnc(c1F)N 62a_100000126652_100000210206 [0,2,0,0,0,0|2,0,0]=4 10015 B12R1.224 CC(C)Sc1ncnc(c1F)N 62a_100000210206_100000126652 [0,2,0,0,0,0|2,0,0]=4 10016 B12R1.224 CC(C)Sc1ncnc(c1N)N 62a_100000210206_100000766367 [0,2,0,0,0,0|2,0,0]=4 10017 B12R1.224 CC(C)Sc1ncnc(c1N)N 62a_100000766367_100000210206 [0,2,0,0,0,0|2,0,0]=4 10018 B12R1.224 CC(C)Sc1ncnc(c1N)O 62a_100000210206_100011795086 [0,2,0,0,0,0|2,0,0]=4 10019 B12R1.224 CC(C)Sc1ncnc(c1O)N 62a_100000210206_100000124137 [0,2,0,0,0,0|2,0,0]=4 10020 B12R1.224 CN(C)Cc1cccc(c1Br)Br 270004a_100102631434_100010240334 [0,2,0,0,0,0|2,0,0]=4 10021 B12R1.224 CN(C)Cc1cccc(c1Br)Cl 2230a_100102631434_100010145525 [0,2,0,0,0,0|2,0,0]=4 10022 B12R1.224 CN(C)Cc1cccc(c1Br)Cl 269982a_100102631434_100010145525 [0,2,0,0,0,0|2,0,0]=4 10023 B12R1.224 CN(C)Cc1cccc(c1Br)Cl 270004a_100102631434_100010232083 [0,2,0,0,0,0|2,0,0]=4 10024 B12R1.224 CN(C)Cc1cccc(c1Br)F 2230a_100102631434_100012351116 [0,2,0,0,0,0|2,0,0]=4 10025 B12R1.224 CN(C)Cc1cccc(c1Br)F 269982a_100102631434_100012351116 [0,2,0,0,0,0|2,0,0]=4 10026 B12R1.224 CN(C)Cc1cccc(c1Br)F 270004a_100102631434_100011934749 [0,2,0,0,0,0|2,0,0]=4 10027 B12R1.224 CN(C)Cc1cccc(c1Br)I 2230a_100102631434_100010254545 [0,2,0,0,0,0|2,0,0]=4 10028 B12R1.224 CN(C)Cc1cccc(c1Br)I 269982a_100102631434_100010254545 [0,2,0,0,0,0|2,0,0]=4 10029 B12R1.224 CN(C)Cc1cccc(c1Cl)Br 2230a_100102631434_100012349491 [0,2,0,0,0,0|2,0,0]=4 10030 B12R1.224 CN(C)Cc1cccc(c1Cl)Br 269982a_100102631434_100012349491 [0,2,0,0,0,0|2,0,0]=4 10031 B12R1.224 CN(C)Cc1cccc(c1Cl)Br 270004a_100102631434_100012362481 [0,2,0,0,0,0|2,0,0]=4 10032 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 2230a_100000690605_200000210301 [0,2,0,0,0,0|2,0,0]=4 10033 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 2230a_100102631434_100000723366 [0,2,0,0,0,0|2,0,0]=4 10034 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 269982a_100000690605_200000210301 [0,2,0,0,0,0|2,0,0]=4 10035 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 269982a_100102631434_100000720918 [0,2,0,0,0,0|2,0,0]=4 10036 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 270004a_100102631434_100000210504 [0,2,0,0,0,0|2,0,0]=4 10037 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 34a_100000690605_200000210301 [0,2,0,0,0,0|2,0,0]=4 10038 B12R1.224 CN(C)Cc1cccc(c1Cl)F 2230a_100102631434_100000696688 [0,2,0,0,0,0|2,0,0]=4 10039 B12R1.224 CN(C)Cc1cccc(c1Cl)F 269982a_100102631434_100000696688 [0,2,0,0,0,0|2,0,0]=4 10040 B12R1.224 CN(C)Cc1cccc(c1Cl)F 270004a_100102631434_100011998484 [0,2,0,0,0,0|2,0,0]=4 10041 B12R1.224 CN(C)Cc1cccc(c1Cl)O 270004a_100102631434_100000050521 [0,2,0,0,0,0|2,0,0]=4 10042 B12R1.224 CN(C)Cc1cccc(c1F)Br 2230a_100102631434_100012356506 [0,2,0,0,0,0|2,0,0]=4 10043 B12R1.224 CN(C)Cc1cccc(c1F)Br 2230a_114873767014_200000210301 [0,2,0,0,0,0|2,0,0]=4 10044 B12R1.224 CN(C)Cc1cccc(c1F)Br 269982a_100102631434_100012356506 [0,2,0,0,0,0|2,0,0]=4 10045 B12R1.224 CN(C)Cc1cccc(c1F)Br 269982a_114873767014_200000210301 [0,2,0,0,0,0|2,0,0]=4 10046 B12R1.224 CN(C)Cc1cccc(c1F)Br 270004a_100102631434_100011361543 [0,2,0,0,0,0|2,0,0]=4 10047 B12R1.224 CN(C)Cc1cccc(c1F)Br 34a_114873767014_200000210301 [0,2,0,0,0,0|2,0,0]=4 10048 B12R1.224 CN(C)Cc1cccc(c1F)Cl 2230a_100102631434_100000716733 [0,2,0,0,0,0|2,0,0]=4 10049 B12R1.224 CN(C)Cc1cccc(c1F)Cl 269982a_100102631434_100000716733 [0,2,0,0,0,0|2,0,0]=4 10050 B12R1.224 CN(C)Cc1cccc(c1F)Cl 270004a_100102631434_100000766533 [0,2,0,0,0,0|2,0,0]=4 10051 B12R1.224 CN(C)Cc1cccc(c1F)F 2230a_100102631434_100000217499 [0,2,0,0,0,0|2,0,0]=4 10052 B12R1.224 CN(C)Cc1cccc(c1F)F 2230a_102515433064_200000210301 [0,2,0,0,0,0|2,0,0]=4 10053 B12R1.224 CN(C)Cc1cccc(c1F)F 269982a_100102631434_100000217499 [0,2,0,0,0,0|2,0,0]=4 10054 B12R1.224 CN(C)Cc1cccc(c1F)F 269982a_102515433064_200000210301 [0,2,0,0,0,0|2,0,0]=4 10055 B12R1.224 CN(C)Cc1cccc(c1F)F 270004a_100102631434_100000753312 [0,2,0,0,0,0|2,0,0]=4 10056 B12R1.224 CN(C)Cc1cccc(c1F)F 34a_102515433064_200000210301 [0,2,0,0,0,0|2,0,0]=4 10057 B12R1.224 CN(C)Cc1cccc(c1F)I 270004a_100102631434_100010202174 [0,2,0,0,0,0|2,0,0]=4 10058 B12R1.224 CN(C)Cc1cccc(c1I)F 2230a_100102631434_100010149603 [0,2,0,0,0,0|2,0,0]=4 10059 B12R1.224 CN(C)Cc1cccc(c1I)F 269982a_100102631434_100010149603 [0,2,0,0,0,0|2,0,0]=4 10060 B12R1.224 CN(C)Cc1cccc(c1I)F 270004a_100102631434_100010186293 [0,2,0,0,0,0|2,0,0]=4 10061 B12R1.224 CN(C)Cc1nccc(c1F)Br 270004a_100102631434_100015713984 [0,2,0,0,0,0|1,0,0]=3 10062 B12R1.224 CN([13CH3])Cc1cccc(c1Cl)Cl 2230a_100000690605_200025704644 [0,2,0,0,0,0|2,0,0]=4 10063 B12R1.224 CN([13CH3])Cc1cccc(c1Cl)Cl 269982a_100000690605_200025704644 [0,2,0,0,0,0|2,0,0]=4 10064 B12R1.224 CN([13CH3])Cc1cccc(c1Cl)Cl 34a_100000690605_200025704644 [0,2,0,0,0,0|2,0,0]=4 10065 B12R1.224 CN([13CH3])Cc1cccc(c1F)Br 2230a_114873767014_200025704644 [0,2,0,0,0,0|2,0,0]=4 10066 B12R1.224 CN([13CH3])Cc1cccc(c1F)Br 269982a_114873767014_200025704644 [0,2,0,0,0,0|2,0,0]=4 10067 B12R1.224 CN([13CH3])Cc1cccc(c1F)Br 34a_114873767014_200025704644 [0,2,0,0,0,0|2,0,0]=4 10068 B12R1.224 CN([13CH3])Cc1cccc(c1F)F 2230a_102515433064_200025704644 [0,2,0,0,0,0|2,0,0]=4 10069 B12R1.224 CN([13CH3])Cc1cccc(c1F)F 269982a_102515433064_200025704644 [0,2,0,0,0,0|2,0,0]=4 10070 B12R1.224 CN([13CH3])Cc1cccc(c1F)F 34a_102515433064_200025704644 [0,2,0,0,0,0|2,0,0]=4 10071 B12R1.224 Cc1c(cccc1CN(C)C)Br 2230a_100102631434_100000694682 [0,2,0,0,0,0|2,0,0]=4 10072 B12R1.224 Cc1c(cccc1CN(C)C)Br 269982a_100102631434_100000694682 [0,2,0,0,0,0|2,0,0]=4 10073 B12R1.224 Cc1c(cccc1CN(C)C)Br 270004a_100102631434_100012179384 [0,2,0,0,0,0|2,0,0]=4 10074 B12R1.224 Cc1c(cccc1CN(C)C)Cl 2230a_100102631434_100012186920 [0,2,0,0,0,0|2,0,0]=4 10075 B12R1.224 Cc1c(cccc1CN(C)C)Cl 269982a_100102631434_100012186920 [0,2,0,0,0,0|2,0,0]=4 10076 B12R1.224 Cc1c(cccc1CN(C)C)Cl 270004a_100102631434_100012002129 [0,2,0,0,0,0|2,0,0]=4 10077 B12R1.224 Cc1c(cccc1CN(C)C)F 2230a_100102631434_100009813626 [0,2,0,0,0,0|2,0,0]=4 10078 B12R1.224 Cc1c(cccc1CN(C)C)F 269982a_100102631434_100009813626 [0,2,0,0,0,0|2,0,0]=4 10079 B12R1.224 Cc1c(cccc1CN(C)C)F 270004a_100102631434_100000037668 [0,2,0,0,0,0|2,0,0]=4 10080 B12R1.224 Cc1c(cccc1CN(C)C)I 2230a_100102631434_100010150147 [0,2,0,0,0,0|2,0,0]=4 10081 B12R1.224 Cc1c(cccc1CN(C)C)I 269982a_100102631434_100010150147 [0,2,0,0,0,0|2,0,0]=4 10082 B12R1.224 Cc1c(cccc1CN(C)C)O 270004a_100102631434_100009868165 [0,2,0,0,0,0|2,0,0]=4 10083 B12R1.224 Cc1c(cccc1NC(C)C)Br 34a_100000750434_100000210206 [0,2,0,0,0,0|2,0,0]=4 10084 B12R1.224 Cc1c(cccc1NC(C)C)Cl 2230a_100000210441_100000210206 [0,2,0,0,0,0|2,0,0]=4 10085 B12R1.224 Cc1c(cccc1NC(C)C)Cl 34a_100000210441_100000210206 [0,2,0,0,0,0|2,0,0]=4 10086 B12R1.224 Cc1c(cccc1NC(C)C)Cl 7a_100000210441_100000210206 [0,2,0,0,0,0|2,0,0]=4 10087 B12R1.224 Cc1c(cccc1NC(C)C)F 34a_100000745574_100000210206 [0,2,0,0,0,0|2,0,0]=4 10088 B12R1.224 Cc1c(cccc1NC(C)C)F 7a_100000745574_100000210206 [0,2,0,0,0,0|2,0,0]=4 10089 B12R1.224 Cc1c(cccc1NC(C)C)I 34a_100000761887_100000210206 [0,2,0,0,0,0|2,0,0]=4 10090 B12R1.224 Cc1c(cccc1NC(C)C)O 34a_100011216573_100000210206 [0,2,0,0,0,0|2,0,0]=4 10091 B12R1.224 Cc1c(cccc1NC(C)C)O 7a_100011216573_100000210206 [0,2,0,0,0,0|2,0,0]=4 10092 B12R1.224 Cc1c(cccc1OC(C)C)Br 34a_100012002258_100000210206 [0,2,0,0,0,0|2,0,0]=4 10093 B12R1.224 Cc1c(cccc1OC(C)C)Br 7a_100012002258_100000210206 [0,2,0,0,0,0|2,0,0]=4 10094 B12R1.224 Cc1c(cccc1OC(C)C)Cl 34a_100011265684_100000210206 [0,2,0,0,0,0|2,0,0]=4 10095 B12R1.224 Cc1c(cccc1OC(C)C)Cl 7a_100011265684_100000210206 [0,2,0,0,0,0|2,0,0]=4 10096 B12R1.224 Cc1c(cccc1OC(C)C)F 34a_100011217231_100000210206 [0,2,0,0,0,0|2,0,0]=4 10097 B12R1.224 Cc1c(cccc1OC(C)C)F 7a_100011217231_100000210206 [0,2,0,0,0,0|2,0,0]=4 10098 B12R1.224 Cc1c(cccc1OC(C)C)N 34a_100011216573_100000210206 [0,2,0,0,0,0|2,0,0]=4 10099 B12R1.224 Cc1c(cccc1OC(C)C)N 7a_100011216573_100000210206 [0,2,0,0,0,0|2,0,0]=4 10100 B12R1.224 Cc1c(cccc1SC(C)C)Br 62a_100000210206_100012353703 [0,2,0,0,0,0|2,0,0]=4 10101 B12R1.224 Cc1c(cccc1SC(C)C)Br 62a_100012353703_100000210206 [0,2,0,0,0,0|2,0,0]=4 10102 B12R1.224 Cc1c(cccc1SC(C)C)Cl 62a_100000210206_100000726075 [0,2,0,0,0,0|2,0,0]=4 10103 B12R1.224 Cc1c(cccc1SC(C)C)Cl 62a_100000726075_100000210206 [0,2,0,0,0,0|2,0,0]=4 10104 B12R1.224 Cc1c(cccc1SC(C)C)F 62a_100000210206_100011216893 [0,2,0,0,0,0|2,0,0]=4 10105 B12R1.224 Cc1c(cccc1SC(C)C)F 62a_100011216893_100000210206 [0,2,0,0,0,0|2,0,0]=4 10106 B12R1.224 Cc1c(cccc1SC(C)C)N 62a_100000210206_100000761887 [0,2,0,0,0,0|2,0,0]=4 10107 B12R1.224 Cc1c(cccc1SC(C)C)N 62a_100000761887_100000210206 [0,2,0,0,0,0|2,0,0]=4 10108 B12R1.224 Cc1c(cccc1SC(C)C)O 62a_100000210206_100012002258 [0,2,0,0,0,0|2,0,0]=4 10109 B12R1.224 Cc1c(cccc1SC(C)C)O 62a_100012002258_100000210206 [0,2,0,0,0,0|2,0,0]=4 10110 B12R1.224 Cc1c(ccnc1CN(C)C)Cl 2230a_100102631434_100020614443 [0,2,0,0,0,0|1,0,0]=3 10111 B12R1.224 Cc1c(ccnc1CN(C)C)Cl 269982a_100102631434_100020614443 [0,2,0,0,0,0|1,0,0]=3 10112 B12R1.224 Cc1c(ccnc1NC(C)C)F 27a_100138425928_100009846374 [0,2,0,0,0,0|1,0,0]=3 10113 B12R1.224 Cc1c(ccnc1OC(C)C)Br 34a_100009858498_100000210206 [0,2,0,0,0,0|1,0,0]=3 10114 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100000210206_100009846374 [0,2,0,0,0,0|1,0,0]=3 10115 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100009846374_100000210206 [0,2,0,0,0,0|1,0,0]=3 10116 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000210206_100000690622 [0,2,0,0,0,0|1,0,0]=3 10117 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000690622_100000210206 [0,2,0,0,0,0|1,0,0]=3 10118 B12R1.224 Cc1c(cnnc1SC(C)C)N 62a_100000210206_200011012966 [0,2,0,0,0,0|2,0,0]=4 10119 B12R1.224 Cc1c(cnnc1SC(C)C)N 62a_200011012966_100000210206 [0,2,0,0,0,0|2,0,0]=4 10120 B12R1.224 Cc1c(ncnc1NC(C)C)N 27a_100138425928_100011913465 [0,2,0,0,0,0|2,0,0]=4 10121 B12R1.224 Cc1c(ncnc1NC(C)C)O 27a_100138425928_100011912821 [0,2,0,0,0,0|2,0,0]=4 10122 B12R1.224 Cc1c(ncnc1OC(C)C)Cl 34a_100011912821_100000210206 [0,2,0,0,0,0|2,0,0]=4 10123 B12R1.224 Cc1c(ncnc1SC(C)C)N 62a_100000210206_100011913465 [0,2,0,0,0,0|2,0,0]=4 10124 B12R1.224 Cc1c(ncnc1SC(C)C)N 62a_100011913465_100000210206 [0,2,0,0,0,0|2,0,0]=4 10125 B12R1.224 Cc1c(ncnc1SC(C)C)O 62a_100000210206_100011912821 [0,2,0,0,0,0|2,0,0]=4 10126 B12R1.224 Cc1cccc(c1Br)CN(C)C 2230a_100102631434_200012349612 [0,2,0,0,0,0|2,0,0]=4 10127 B12R1.224 Cc1cccc(c1Br)CN(C)C 269982a_100102631434_200012349612 [0,2,0,0,0,0|2,0,0]=4 10128 B12R1.224 Cc1cccc(c1Br)CN(C)C 270004a_100102631434_100012186367 [0,2,0,0,0,0|2,0,0]=4 10129 B12R1.224 Cc1cccc(c1Br)NC(C)C 34a_100000684715_100000210206 [0,2,0,0,0,0|2,0,0]=4 10130 B12R1.224 Cc1cccc(c1Br)OC(C)C 34a_100000686692_100000210206 [0,2,0,0,0,0|2,0,0]=4 10131 B12R1.224 Cc1cccc(c1Br)OC(C)C 7a_100000686692_100000210206 [0,2,0,0,0,0|2,0,0]=4 10132 B12R1.224 Cc1cccc(c1Br)SC(C)C 62a_100000210206_100012362457 [0,2,0,0,0,0|2,0,0]=4 10133 B12R1.224 Cc1cccc(c1Br)SC(C)C 62a_100012362457_100000210206 [0,2,0,0,0,0|2,0,0]=4 10134 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100000207598_200000210301 [0,2,0,0,0,0|2,0,0]=4 10135 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100102631434_100011515928 [0,2,0,0,0,0|2,0,0]=4 10136 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100000207598_200000210301 [0,2,0,0,0,0|2,0,0]=4 10137 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100102631434_100011515928 [0,2,0,0,0,0|2,0,0]=4 10138 B12R1.224 Cc1cccc(c1C)CN(C)C 270004a_100102631434_100000229941 [0,2,0,0,0,0|2,0,0]=4 10139 B12R1.224 Cc1cccc(c1C)CN(C)C 34a_100000207598_200000210301 [0,2,0,0,0,0|2,0,0]=4 10140 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 2230a_100000207598_200025704644 [0,2,0,0,0,0|2,0,0]=4 10141 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 269982a_100000207598_200025704644 [0,2,0,0,0,0|2,0,0]=4 10142 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 34a_100000207598_200025704644 [0,2,0,0,0,0|2,0,0]=4 10143 B12R1.224 Cc1cccc(c1C)NC(C)C 2230a_100000210026_100000210206 [0,2,0,0,0,0|2,0,0]=4 10144 B12R1.224 Cc1cccc(c1C)NC(C)C 34a_100000210026_100000210206 [0,2,0,0,0,0|2,0,0]=4 10145 B12R1.224 Cc1cccc(c1C)NC(C)C 7a_100000210026_100000210206 [0,2,0,0,0,0|2,0,0]=4 10146 B12R1.224 Cc1cccc(c1C)OC(C)C 34a_100000185855_100000210206 [0,2,0,0,0,0|2,0,0]=4 10147 B12R1.224 Cc1cccc(c1C)OC(C)C 7a_100000185855_100000210206 [0,2,0,0,0,0|2,0,0]=4 10148 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100000210206_100011214922 [0,2,0,0,0,0|2,0,0]=4 10149 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100011214922_100000210206 [0,2,0,0,0,0|2,0,0]=4 10150 B12R1.224 Cc1cccc(c1Cl)CN(C)C 270004a_100102631434_100012017286 [0,2,0,0,0,0|2,0,0]=4 10151 B12R1.224 Cc1cccc(c1Cl)NC(C)C 34a_100000765562_100000210206 [0,2,0,0,0,0|2,0,0]=4 10152 B12R1.224 Cc1cccc(c1Cl)NC(C)C 7a_100000765562_100000210206 [0,2,0,0,0,0|2,0,0]=4 10153 B12R1.224 Cc1cccc(c1Cl)OC(C)C 34a_100000695629_100000210206 [0,2,0,0,0,0|2,0,0]=4 10154 B12R1.224 Cc1cccc(c1Cl)OC(C)C 7a_100000695629_100000210206 [0,2,0,0,0,0|2,0,0]=4 10155 B12R1.224 Cc1cccc(c1Cl)SC(C)C 62a_100000210206_200012352035 [0,2,0,0,0,0|2,0,0]=4 10156 B12R1.224 Cc1cccc(c1Cl)SC(C)C 62a_200012352035_100000210206 [0,2,0,0,0,0|2,0,0]=4 10157 B12R1.224 Cc1cccc(c1F)CN(C)C 2230a_100102631434_100011216058 [0,2,0,0,0,0|2,0,0]=4 10158 B12R1.224 Cc1cccc(c1F)CN(C)C 269982a_100102631434_100011216058 [0,2,0,0,0,0|2,0,0]=4 10159 B12R1.224 Cc1cccc(c1F)CN(C)C 270004a_100102631434_100011219516 [0,2,0,0,0,0|2,0,0]=4 10160 B12R1.224 Cc1cccc(c1F)NC(C)C 2230a_100000697159_100000210206 [0,2,0,0,0,0|2,0,0]=4 10161 B12R1.224 Cc1cccc(c1F)NC(C)C 34a_100000697159_100000210206 [0,2,0,0,0,0|2,0,0]=4 10162 B12R1.224 Cc1cccc(c1F)NC(C)C 7a_100000697159_100000210206 [0,2,0,0,0,0|2,0,0]=4 10163 B12R1.224 Cc1cccc(c1F)OC(C)C 34a_100000751311_100000210206 [0,2,0,0,0,0|2,0,0]=4 10164 B12R1.224 Cc1cccc(c1F)OC(C)C 7a_100000751311_100000210206 [0,2,0,0,0,0|2,0,0]=4 10165 B12R1.224 Cc1cccc(c1F)SC(C)C 62a_100000210206_100000717567 [0,2,0,0,0,0|2,0,0]=4 10166 B12R1.224 Cc1cccc(c1F)SC(C)C 62a_100000717567_100000210206 [0,2,0,0,0,0|2,0,0]=4 10167 B12R1.224 Cc1cccc(c1I)NC(C)C 34a_100000761888_100000210206 [0,2,0,0,0,0|2,0,0]=4 10168 B12R1.224 Cc1cccc(c1I)OC(C)C 34a_100010083724_100000210206 [0,2,0,0,0,0|2,0,0]=4 10169 B12R1.224 Cc1cccc(c1I)OC(C)C 7a_100010083724_100000210206 [0,2,0,0,0,0|2,0,0]=4 10170 B12R1.224 Cc1cccc(c1N)OC(C)C 34a_100000743429_100000210206 [0,2,0,0,0,0|2,0,0]=4 10171 B12R1.224 Cc1cccc(c1N)OC(C)C 7a_100000743429_100000210206 [0,2,0,0,0,0|2,0,0]=4 10172 B12R1.224 Cc1cccc(c1N)SC(C)C 62a_100000210206_100011834072 [0,2,0,0,0,0|2,0,0]=4 10173 B12R1.224 Cc1cccc(c1N)SC(C)C 62a_100011834072_100000210206 [0,2,0,0,0,0|2,0,0]=4 10174 B12R1.224 Cc1cccc(c1O)NC(C)C 34a_100000756359_100000210206 [0,2,0,0,0,0|2,0,0]=4 10175 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100000210206_100009817157 [0,2,0,0,0,0|2,0,0]=4 10176 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100009817157_100000210206 [0,2,0,0,0,0|2,0,0]=4 10177 B12R1.224 Cc1ccnc(c1Br)OC(C)C 34a_100012000493_100000210206 [0,2,0,0,0,0|1,0,0]=3 10178 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100000210206_100009847204 [0,2,0,0,0,0|1,0,0]=3 10179 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100009847204_100000210206 [0,2,0,0,0,0|1,0,0]=3 10180 B12R1.224 Cc1ccnc(c1F)SC(C)C 62a_100000210206_100009817629 [0,2,0,0,0,0|1,0,0]=3 10181 B12R1.224 Cc1ccnc(c1F)SC(C)C 62a_100009817629_100000210206 [0,2,0,0,0,0|1,0,0]=3 10182 B12R1.224 Cc1ccnc(c1N)SC(C)C 62a_100000210206_100000763560 [0,2,0,0,0,0|1,0,0]=3 10183 B12R1.224 Cc1ccnc(c1N)SC(C)C 62a_100000763560_100000210206 [0,2,0,0,0,0|1,0,0]=3 10184 B12R1.224 Cc1ccnc(c1O)SC(C)C 62a_100000210206_100000696282 [0,2,0,0,0,0|1,0,0]=3 10185 B12R1.224 Cc1ncnc(c1C)NC(C)C 27a_100138425928_100011438038 [0,2,0,0,0,0|2,0,0]=4 10186 B12R1.224 Cc1ncnc(c1C)OC(C)C 34a_100000697798_100000210206 [0,2,0,0,0,0|2,0,0]=4 10187 B12R1.224 Cc1ncnc(c1C)SC(C)C 62a_100000210206_100011438038 [0,2,0,0,0,0|2,0,0]=4 10188 B12R1.224 Cc1ncnc(c1C)SC(C)C 62a_100011438038_100000210206 [0,2,0,0,0,0|2,0,0]=4 10189 B12R1.224 Cc1ncnc(c1F)NC(C)C 27a_100138425928_100011671633 [0,2,0,0,0,0|2,0,0]=4 10190 B12R1.224 Cc1ncnc(c1F)SC(C)C 62a_100000210206_100011671633 [0,2,0,0,0,0|2,0,0]=4 10191 B12R1.224 Cc1ncnc(c1F)SC(C)C 62a_100011671633_100000210206 [0,2,0,0,0,0|2,0,0]=4 10192 B12R1.1009 CC(C)Nc1c(cccc1Br)Br 34a_100000690995_100000210206 [0,2,0,0,0,0|2,0,0]=4 10193 B12R1.1009 CC(C)Nc1c(cccc1Br)Cl 34a_100102946385_100000210206 [0,2,0,0,0,0|2,0,0]=4 10194 B12R1.1009 CC(C)Nc1c(cccc1Br)F 34a_100000684712_100000210206 [0,2,0,0,0,0|2,0,0]=4 10195 B12R1.1009 CC(C)Nc1c(cccc1Br)O 34a_100011934926_100000210206 [0,2,0,0,0,0|2,0,0]=4 10196 B12R1.1009 CC(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000210206 [0,2,0,0,0,0|2,0,0]=4 10197 B12R1.1009 CC(C)Nc1c(cccc1Cl)F 34a_100000760031_100000210206 [0,2,0,0,0,0|2,0,0]=4 10198 B12R1.1009 CC(C)Nc1c(cccc1Cl)O 34a_100012022510_100000210206 [0,2,0,0,0,0|2,0,0]=4 10199 B12R1.1009 CC(C)Nc1c(cccc1F)F 2230a_100000210704_100000210206 [0,2,0,0,0,0|2,0,0]=4 10200 B12R1.1009 CC(C)Nc1c(cccc1F)F 34a_100000210704_100000210206 [0,2,0,0,0,0|2,0,0]=4 10201 B12R1.1009 CC(C)Nc1c(cccc1F)O 34a_100020591140_100000210206 [0,2,0,0,0,0|2,0,0]=4 10202 B12R1.1009 CC(C)Nc1c(cccc1I)F 34a_100000042321_100000210206 [0,2,0,0,0,0|2,0,0]=4 10203 B12R1.1009 CC(C)Oc1c(cccc1Br)Br 34a_100000736428_100000210206 [0,2,0,0,0,0|2,0,0]=4 10204 B12R1.1009 CC(C)Oc1c(cccc1Br)Br 7a_100000736428_100000210206 [0,2,0,0,0,0|2,0,0]=4 10205 B12R1.1009 CC(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000210206 [0,2,0,0,0,0|2,0,0]=4 10206 B12R1.1009 CC(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000210206 [0,2,0,0,0,0|2,0,0]=4 10207 B12R1.1009 CC(C)Oc1c(cccc1Br)F 34a_100009813666_100000210206 [0,2,0,0,0,0|2,0,0]=4 10208 B12R1.1009 CC(C)Oc1c(cccc1Br)F 7a_100009813666_100000210206 [0,2,0,0,0,0|2,0,0]=4 10209 B12R1.1009 CC(C)Oc1c(cccc1Br)N 34a_100011934915_100000210206 [0,2,0,0,0,0|2,0,0]=4 10210 B12R1.1009 CC(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000210206 [0,2,0,0,0,0|2,0,0]=4 10211 B12R1.1009 CC(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000210206 [0,2,0,0,0,0|2,0,0]=4 10212 B12R1.1009 CC(C)Oc1c(cccc1Cl)F 34a_100000694953_100000210206 [0,2,0,0,0,0|2,0,0]=4 10213 B12R1.1009 CC(C)Oc1c(cccc1Cl)F 7a_100000694953_100000210206 [0,2,0,0,0,0|2,0,0]=4 10214 B12R1.1009 CC(C)Oc1c(cccc1Cl)N 34a_100000754742_100000210206 [0,2,0,0,0,0|2,0,0]=4 10215 B12R1.1009 CC(C)Oc1c(cccc1F)F 34a_100000230165_100000210206 [0,2,0,0,0,0|2,0,0]=4 10216 B12R1.1009 CC(C)Oc1c(cccc1F)F 7a_100000230165_100000210206 [0,2,0,0,0,0|2,0,0]=4 10217 B12R1.1009 CC(C)Oc1c(cccc1F)N 34a_100011934987_100000210206 [0,2,0,0,0,0|2,0,0]=4 10218 B12R1.1009 CC(C)Oc1c(cccc1F)O 271570a_203496583355_200010078528 [0,2,0,0,0,0|2,0,0]=4 10219 B12R1.1009 CC(C)Oc1c(cccc1I)Br 34a_100010084509_100000210206 [0,2,0,0,0,0|2,0,0]=4 10220 B12R1.1009 CC(C)Oc1c(cccc1I)Br 7a_100010084509_100000210206 [0,2,0,0,0,0|2,0,0]=4 10221 B12R1.1009 CC(C)Oc1c(cccc1I)Cl 34a_100010202889_100000210206 [0,2,0,0,0,0|2,0,0]=4 10222 B12R1.1009 CC(C)Oc1c(cccc1I)Cl 7a_100010202889_100000210206 [0,2,0,0,0,0|2,0,0]=4 10223 B12R1.1009 CC(C)Oc1c(cccc1I)F 34a_100010186298_100000210206 [0,2,0,0,0,0|2,0,0]=4 10224 B12R1.1009 CC(C)Oc1c(cccc1I)F 7a_100010186298_100000210206 [0,2,0,0,0,0|2,0,0]=4 10225 B12R1.1009 CC(C)Oc1c(cccc1I)N 34a_100010084371_100000210206 [0,2,0,0,0,0|2,0,0]=4 10226 B12R1.1009 CC(C)Oc1c(cccc1N)N 34a_200016994477_100000210206 [0,2,0,0,0,0|2,0,0]=4 10227 B12R1.1009 CC(C)Sc1c(cccc1Br)Br 62a_100000210206_100009994525 [0,2,0,0,0,0|2,0,0]=4 10228 B12R1.1009 CC(C)Sc1c(cccc1Br)Br 62a_100009994525_100000210206 [0,2,0,0,0,0|2,0,0]=4 10229 B12R1.1009 CC(C)Sc1c(cccc1Br)Cl 62a_100000210206_100010214488 [0,2,0,0,0,0|2,0,0]=4 10230 B12R1.1009 CC(C)Sc1c(cccc1Br)Cl 62a_100010214488_100000210206 [0,2,0,0,0,0|2,0,0]=4 10231 B12R1.1009 CC(C)Sc1c(cccc1Br)F 62a_100000210206_100011219512 [0,2,0,0,0,0|2,0,0]=4 10232 B12R1.1009 CC(C)Sc1c(cccc1Br)F 62a_100011219512_100000210206 [0,2,0,0,0,0|2,0,0]=4 10233 B12R1.1009 CC(C)Sc1c(cccc1Br)N 62a_100000210206_100020590159 [0,2,0,0,0,0|2,0,0]=4 10234 B12R1.1009 CC(C)Sc1c(cccc1Br)N 62a_100020590159_100000210206 [0,2,0,0,0,0|2,0,0]=4 10235 B12R1.1009 CC(C)Sc1c(cccc1Br)O 62a_100000210206_100010187912 [0,2,0,0,0,0|2,0,0]=4 10236 B12R1.1009 CC(C)Sc1c(cccc1Br)O 62a_100010187912_100000210206 [0,2,0,0,0,0|2,0,0]=4 10237 B12R1.1009 CC(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000210206 [0,2,0,0,0,0|2,0,0]=4 10238 B12R1.1009 CC(C)Sc1c(cccc1Cl)Cl 62a_100000210206_100000034237 [0,2,0,0,0,0|2,0,0]=4 10239 B12R1.1009 CC(C)Sc1c(cccc1Cl)F 62a_100000050007_100000210206 [0,2,0,0,0,0|2,0,0]=4 10240 B12R1.1009 CC(C)Sc1c(cccc1Cl)F 62a_100000210206_100000050007 [0,2,0,0,0,0|2,0,0]=4 10241 B12R1.1009 CC(C)Sc1c(cccc1Cl)N 62a_100000049713_100000210206 [0,2,0,0,0,0|2,0,0]=4 10242 B12R1.1009 CC(C)Sc1c(cccc1Cl)N 62a_100000210206_100000049713 [0,2,0,0,0,0|2,0,0]=4 10243 B12R1.1009 CC(C)Sc1c(cccc1Cl)O 62a_100000210206_100000050174 [0,2,0,0,0,0|2,0,0]=4 10244 B12R1.1009 CC(C)Sc1c(cccc1F)F 62a_100000210206_100000693133 [0,2,0,0,0,0|2,0,0]=4 10245 B12R1.1009 CC(C)Sc1c(cccc1F)F 62a_100000693133_100000210206 [0,2,0,0,0,0|2,0,0]=4 10246 B12R1.1009 CC(C)Sc1c(cccc1F)N 62a_100000210206_100000690935 [0,2,0,0,0,0|2,0,0]=4 10247 B12R1.1009 CC(C)Sc1c(cccc1F)N 62a_100000690935_100000210206 [0,2,0,0,0,0|2,0,0]=4 10248 B12R1.1009 CC(C)Sc1c(cccc1F)O 62a_100000210206_100009820682 [0,2,0,0,0,0|2,0,0]=4 10249 B12R1.1009 CC(C)Sc1c(cccc1F)O 62a_100009820682_100000210206 [0,2,0,0,0,0|2,0,0]=4 10250 B12R1.1009 CC(C)Sc1c(cccc1O)N 62a_100000210206_100012183704 [0,2,0,0,0,0|2,0,0]=4 10251 B12R1.1009 CC(C)Sc1c(cccc1O)N 62a_100012183704_100000210206 [0,2,0,0,0,0|2,0,0]=4 10252 B12R1.1009 CC(C)Sc1c(cccc1O)O 62a_100000210206_100010205330 [0,2,0,0,0,0|2,0,0]=4 10253 B12R1.1009 CN(C)Cc1c(cccc1Br)Br 270004a_100102631434_100010233043 [0,2,0,0,0,0|2,0,0]=4 10254 B12R1.1009 CN(C)Cc1c(cccc1Br)Cl 2230a_100102631434_100010138402 [0,2,0,0,0,0|2,0,0]=4 10255 B12R1.1009 CN(C)Cc1c(cccc1Br)Cl 269982a_100102631434_100010138402 [0,2,0,0,0,0|2,0,0]=4 10256 B12R1.1009 CN(C)Cc1c(cccc1Br)Cl 270004a_100102631434_100011249081 [0,2,0,0,0,0|2,0,0]=4 10257 B12R1.1009 CN(C)Cc1c(cccc1Br)F 2230a_100102631434_100012145669 [0,2,0,0,0,0|2,0,0]=4 10258 B12R1.1009 CN(C)Cc1c(cccc1Br)F 2230a_106744473292_200000210301 [0,2,0,0,0,0|2,0,0]=4 10259 B12R1.1009 CN(C)Cc1c(cccc1Br)F 269982a_100102631434_100012145669 [0,2,0,0,0,0|2,0,0]=4 10260 B12R1.1009 CN(C)Cc1c(cccc1Br)F 269982a_106744473292_200000210301 [0,2,0,0,0,0|2,0,0]=4 10261 B12R1.1009 CN(C)Cc1c(cccc1Br)F 270004a_100102631434_100000752695 [0,2,0,0,0,0|2,0,0]=4 10262 B12R1.1009 CN(C)Cc1c(cccc1Br)F 34a_106744473292_200000210301 [0,2,0,0,0,0|2,0,0]=4 10263 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 2230a_100000186903_200000210301 [0,2,0,0,0,0|2,0,0]=4 10264 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 2230a_100102631434_100000187851 [0,2,0,0,0,0|2,0,0]=4 10265 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 269982a_100000186903_200000210301 [0,2,0,0,0,0|2,0,0]=4 10266 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 269982a_100102631434_100000211241 [0,2,0,0,0,0|2,0,0]=4 10267 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 270004a_100102631434_100000189306 [0,2,0,0,0,0|2,0,0]=4 10268 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 34a_100000186903_200000210301 [0,2,0,0,0,0|2,0,0]=4 10269 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 2230a_100000184537_200000210301 [0,2,0,0,0,0|2,0,0]=4 10270 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 2230a_100102631434_100000187852 [0,2,0,0,0,0|2,0,0]=4 10271 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 269982a_100000184537_200000210301 [0,2,0,0,0,0|2,0,0]=4 10272 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 269982a_100102631434_100000187852 [0,2,0,0,0,0|2,0,0]=4 10273 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 270004a_100102631434_100000210083 [0,2,0,0,0,0|2,0,0]=4 10274 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 34a_100000184537_200000210301 [0,2,0,0,0,0|2,0,0]=4 10275 B12R1.1009 CN(C)Cc1c(cccc1F)F 2230a_100102631434_100000698325 [0,2,0,0,0,0|2,0,0]=4 10276 B12R1.1009 CN(C)Cc1c(cccc1F)F 269982a_100102631434_100000709179 [0,2,0,0,0,0|2,0,0]=4 10277 B12R1.1009 CN(C)Cc1c(cccc1F)F 270004a_100102631434_100000211061 [0,2,0,0,0,0|2,0,0]=4 10278 B12R1.1009 CN(C)Cc1c(cccc1I)Br 2230a_100102631434_100010146611 [0,2,0,0,0,0|2,0,0]=4 10279 B12R1.1009 CN(C)Cc1c(cccc1I)Br 269982a_100102631434_100010146611 [0,2,0,0,0,0|2,0,0]=4 10280 B12R1.1009 CN(C)Cc1c(cccc1I)Cl 270004a_100102631434_100010147682 [0,2,0,0,0,0|2,0,0]=4 10281 B12R1.1009 CN(C)Cc1c(cccc1I)F 2230a_100102631434_100010149602 [0,2,0,0,0,0|2,0,0]=4 10282 B12R1.1009 CN(C)Cc1c(cccc1I)F 269982a_100102631434_100010149602 [0,2,0,0,0,0|2,0,0]=4 10283 B12R1.1009 CN(C)Cc1c(cccc1I)F 270004a_100102631434_100010178011 [0,2,0,0,0,0|2,0,0]=4 10284 B12R1.1009 CN([13CH3])Cc1c(cccc1Br)F 2230a_106744473292_200025704644 [0,2,0,0,0,0|2,0,0]=4 10285 B12R1.1009 CN([13CH3])Cc1c(cccc1Br)F 269982a_106744473292_200025704644 [0,2,0,0,0,0|2,0,0]=4 10286 B12R1.1009 CN([13CH3])Cc1c(cccc1Br)F 34a_106744473292_200025704644 [0,2,0,0,0,0|2,0,0]=4 10287 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)Cl 2230a_100000186903_200025704644 [0,2,0,0,0,0|2,0,0]=4 10288 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)Cl 269982a_100000186903_200025704644 [0,2,0,0,0,0|2,0,0]=4 10289 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)Cl 34a_100000186903_200025704644 [0,2,0,0,0,0|2,0,0]=4 10290 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)F 2230a_100000184537_200025704644 [0,2,0,0,0,0|2,0,0]=4 10291 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)F 269982a_100000184537_200025704644 [0,2,0,0,0,0|2,0,0]=4 10292 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)F 34a_100000184537_200025704644 [0,2,0,0,0,0|2,0,0]=4 10293 B12R1.1009 Cc1ccc[n+](c1SC(C)C)[O-] 62a_100000210206_100116209805 [0,2,0,0,0,0|1,0,1]=4 10294 B12R1.1009 Cc1cccc(c1CN(C)C)Br 2230a_100102631434_100010146847 [0,2,0,0,0,0|2,0,0]=4 10295 B12R1.1009 Cc1cccc(c1CN(C)C)Br 269982a_100102631434_100010146847 [0,2,0,0,0,0|2,0,0]=4 10296 B12R1.1009 Cc1cccc(c1CN(C)C)Br 270004a_100102631434_100009881667 [0,2,0,0,0,0|2,0,0]=4 10297 B12R1.1009 Cc1cccc(c1CN(C)C)C 2230a_100102631434_100000758300 [0,2,0,0,0,0|2,0,0]=4 10298 B12R1.1009 Cc1cccc(c1CN(C)C)C 269982a_100102631434_100000758300 [0,2,0,0,0,0|2,0,0]=4 10299 B12R1.1009 Cc1cccc(c1CN(C)C)C 270004a_100102631434_100000758299 [0,2,0,0,0,0|2,0,0]=4 10300 B12R1.1009 Cc1cccc(c1CN(C)C)Cl 270004a_100102631434_100000041122 [0,2,0,0,0,0|2,0,0]=4 10301 B12R1.1009 Cc1cccc(c1CN(C)C)F 2230a_100102631434_100009814554 [0,2,0,0,0,0|2,0,0]=4 10302 B12R1.1009 Cc1cccc(c1CN(C)C)F 269982a_100102631434_100009814554 [0,2,0,0,0,0|2,0,0]=4 10303 B12R1.1009 Cc1cccc(c1CN(C)C)F 270004a_100102631434_100000069827 [0,2,0,0,0,0|2,0,0]=4 10304 B12R1.1009 Cc1cccc(c1CN(C)C)I 2230a_100102631434_100010150146 [0,2,0,0,0,0|2,0,0]=4 10305 B12R1.1009 Cc1cccc(c1CN(C)C)I 269982a_100102631434_100010150146 [0,2,0,0,0,0|2,0,0]=4 10306 B12R1.1009 Cc1cccc(c1NC(C)C)Br 34a_100011834072_100000210206 [0,2,0,0,0,0|2,0,0]=4 10307 B12R1.1009 Cc1cccc(c1NC(C)C)C 34a_100000185769_100000210206 [0,2,0,0,0,0|2,0,0]=4 10308 B12R1.1009 Cc1cccc(c1NC(C)C)Cl 34a_100000756524_100000210206 [0,2,0,0,0,0|2,0,0]=4 10309 B12R1.1009 Cc1cccc(c1NC(C)C)F 34a_100000766463_100000210206 [0,2,0,0,0,0|2,0,0]=4 10310 B12R1.1009 Cc1cccc(c1NC(C)C)O 34a_100000743429_100000210206 [0,2,0,0,0,0|2,0,0]=4 10311 B12R1.1009 Cc1cccc(c1OC(C)C)Br 34a_100009817157_100000210206 [0,2,0,0,0,0|2,0,0]=4 10312 B12R1.1009 Cc1cccc(c1OC(C)C)Br 7a_100009817157_100000210206 [0,2,0,0,0,0|2,0,0]=4 10313 B12R1.1009 Cc1cccc(c1OC(C)C)C 34a_100000210341_100000210206 [0,2,0,0,0,0|2,0,0]=4 10314 B12R1.1009 Cc1cccc(c1OC(C)C)C 7a_100000210341_100000210206 [0,2,0,0,0,0|2,0,0]=4 10315 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 34a_100000033731_100000210206 [0,2,0,0,0,0|2,0,0]=4 10316 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 7a_100000033731_100000210206 [0,2,0,0,0,0|2,0,0]=4 10317 B12R1.1009 Cc1cccc(c1OC(C)C)F 34a_100011659162_100000210206 [0,2,0,0,0,0|2,0,0]=4 10318 B12R1.1009 Cc1cccc(c1OC(C)C)F 7a_100011659162_100000210206 [0,2,0,0,0,0|2,0,0]=4 10319 B12R1.1009 Cc1cccc(c1OC(C)C)N 34a_100000756359_100000210206 [0,2,0,0,0,0|2,0,0]=4 10320 B12R1.1009 Cc1cccc(c1OC(C)C)N 7a_100000756359_100000210206 [0,2,0,0,0,0|2,0,0]=4 10321 B12R1.1009 Cc1cccc(c1SC(C)C)Br 62a_100000210206_100010141302 [0,2,0,0,0,0|2,0,0]=4 10322 B12R1.1009 Cc1cccc(c1SC(C)C)Br 62a_100010141302_100000210206 [0,2,0,0,0,0|2,0,0]=4 10323 B12R1.1009 Cc1cccc(c1SC(C)C)C 62a_100000033847_100000210206 [0,2,0,0,0,0|2,0,0]=4 10324 B12R1.1009 Cc1cccc(c1SC(C)C)C 62a_100000210206_100000033847 [0,2,0,0,0,0|2,0,0]=4 10325 B12R1.1009 Cc1cccc(c1SC(C)C)Cl 62a_100000043165_100000210206 [0,2,0,0,0,0|2,0,0]=4 10326 B12R1.1009 Cc1cccc(c1SC(C)C)Cl 62a_100000210206_100000043165 [0,2,0,0,0,0|2,0,0]=4 10327 B12R1.1009 Cc1cccc(c1SC(C)C)F 62a_100000210206_100011218421 [0,2,0,0,0,0|2,0,0]=4 10328 B12R1.1009 Cc1cccc(c1SC(C)C)F 62a_100011218421_100000210206 [0,2,0,0,0,0|2,0,0]=4 10329 B12R1.1009 Cc1cccc(c1SC(C)C)N 62a_100000210206_100000684715 [0,2,0,0,0,0|2,0,0]=4 10330 B12R1.1009 Cc1cccc(c1SC(C)C)N 62a_100000684715_100000210206 [0,2,0,0,0,0|2,0,0]=4 10331 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000210206_100000686692 [0,2,0,0,0,0|2,0,0]=4 10332 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000686692_100000210206 [0,2,0,0,0,0|2,0,0]=4 10333 B12R1.101 CC(=Cc1cc(cc(n1)C)C)C 271570a_100102525489_100000069240 [0,2,0,0,0,0|0,0,2]=4 10334 B12R1.101 CC(=Cc1cc(cc(n1)F)C)C 271570a_100102525489_100009819601 [0,2,0,0,0,0|0,0,2]=4 10335 B12R1.101 CC(=Cc1cc(cc(n1)N)C)C 271570a_100102525489_100009819863 [0,2,0,0,0,0|0,0,2]=4 10336 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,2,0,0,0,0|1,0,1]=4 10337 B12R1.101 CC(C)Nc1cc(cc(c1)Br)Br 27a_100138425928_100009814770 [0,2,0,0,0,0|2,0,0]=4 10338 B12R1.101 CC(C)Nc1cc(cc(c1)Br)Br 34a_100012047176_100000210206 [0,2,0,0,0,0|2,0,0]=4 10339 B12R1.101 CC(C)Nc1cc(cc(c1)Br)Br 7a_100012047176_100000210206 [0,2,0,0,0,0|2,0,0]=4 10340 B12R1.101 CC(C)Nc1cc(cc(c1)Br)Cl 34a_100011934539_100000210206 [0,2,0,0,0,0|2,0,0]=4 10341 B12R1.101 CC(C)Nc1cc(cc(c1)Br)Cl 7a_100011934539_100000210206 [0,2,0,0,0,0|2,0,0]=4 10342 B12R1.101 CC(C)Nc1cc(cc(c1)Br)F 34a_100000705686_100000210206 [0,2,0,0,0,0|2,0,0]=4 10343 B12R1.101 CC(C)Nc1cc(cc(c1)Br)F 7a_100000705686_100000210206 [0,2,0,0,0,0|2,0,0]=4 10344 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)Cl 34a_100000210456_100000210206 [0,2,0,0,0,0|2,0,0]=4 10345 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210206 [0,2,0,0,0,0|2,0,0]=4 10346 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)F 34a_100000686136_100000210206 [0,2,0,0,0,0|2,0,0]=4 10347 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)F 7a_100000686136_100000210206 [0,2,0,0,0,0|2,0,0]=4 10348 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)O 34a_100000123917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10349 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)O 7a_100000123917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10350 B12R1.101 CC(C)Nc1cc(cc(c1)F)F 34a_100000233717_100000210206 [0,2,0,0,0,0|2,0,0]=4 10351 B12R1.101 CC(C)Nc1cc(cc(c1)F)F 7a_100000233717_100000210206 [0,2,0,0,0,0|2,0,0]=4 10352 B12R1.101 CC(C)Nc1cc(cc(c1)I)Br 7a_100009814763_100000210206 [0,2,0,0,0,0|2,0,0]=4 10353 B12R1.101 CC(C)Nc1cc(cc(c1)I)Cl 7a_100010147676_100000210206 [0,2,0,0,0,0|2,0,0]=4 10354 B12R1.101 CC(C)Nc1cc(cc(c1)I)F 34a_100011356972_100000210206 [0,2,0,0,0,0|2,0,0]=4 10355 B12R1.101 CC(C)Nc1cc(cc(c1)I)F 7a_100011356972_100000210206 [0,2,0,0,0,0|2,0,0]=4 10356 B12R1.101 CC(C)Nc1cc(cc(c1)I)I 7a_200000696836_100000210206 [0,2,0,0,0,0|2,0,0]=4 10357 B12R1.101 CC(C)Nc1cc(cc(c1)O)O 34a_100000043371_100000210206 [0,2,0,0,0,0|2,0,0]=4 10358 B12R1.101 CC(C)Nc1cc(nc(n1)N)O 271570a_203496583355_100011228678 [0,2,0,0,0,0|2,0,0]=4 10359 B12R1.101 CC(C)Nc1cc(nc(n1)N)O 27a_100138425928_100000694715 [0,2,0,0,0,0|2,0,0]=4 10360 B12R1.101 CC(C)Nc1nc(=O)cc([nH]1)N 27a_100138425928_100000101444 [0,2,0,0,0,0|2,0,0]=4 10361 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Br 34a_100010167048_100000210206 [0,2,0,0,0,0|2,0,0]=4 10362 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Br 7a_100010167048_100000210206 [0,2,0,0,0,0|2,0,0]=4 10363 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Cl 34a_100010185897_100000210206 [0,2,0,0,0,0|2,0,0]=4 10364 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Cl 7a_100010185897_100000210206 [0,2,0,0,0,0|2,0,0]=4 10365 B12R1.101 CC(C)Oc1cc(cc(c1)Br)F 34a_100000688818_100000210206 [0,2,0,0,0,0|2,0,0]=4 10366 B12R1.101 CC(C)Oc1cc(cc(c1)Br)F 7a_100000688818_100000210206 [0,2,0,0,0,0|2,0,0]=4 10367 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210206 [0,2,0,0,0,0|2,0,0]=4 10368 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210206 [0,2,0,0,0,0|2,0,0]=4 10369 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)F 34a_100011219751_100000210206 [0,2,0,0,0,0|2,0,0]=4 10370 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)F 7a_100011219751_100000210206 [0,2,0,0,0,0|2,0,0]=4 10371 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)N 34a_100000123917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10372 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)N 7a_100000123917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10373 B12R1.101 CC(C)Oc1cc(cc(c1)F)F 34a_100000747503_100000210206 [0,2,0,0,0,0|2,0,0]=4 10374 B12R1.101 CC(C)Oc1cc(cc(c1)F)F 7a_100000747503_100000210206 [0,2,0,0,0,0|2,0,0]=4 10375 B12R1.101 CC(C)Oc1cc(cc(c1)I)Br 34a_100010068917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10376 B12R1.101 CC(C)Oc1cc(cc(c1)I)Br 7a_100010068917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10377 B12R1.101 CC(C)Oc1cc(cc(c1)I)Cl 34a_100010068924_100000210206 [0,2,0,0,0,0|2,0,0]=4 10378 B12R1.101 CC(C)Oc1cc(cc(c1)I)Cl 7a_100010068924_100000210206 [0,2,0,0,0,0|2,0,0]=4 10379 B12R1.101 CC(C)Oc1cc(cc(c1)I)F 34a_100000717995_100000210206 [0,2,0,0,0,0|2,0,0]=4 10380 B12R1.101 CC(C)Oc1cc(cc(c1)I)F 7a_100000717995_100000210206 [0,2,0,0,0,0|2,0,0]=4 10381 B12R1.101 CC(C)Sc1cc(cc(c1)Br)Br 62a_100000210206_100009814770 [0,2,0,0,0,0|2,0,0]=4 10382 B12R1.101 CC(C)Sc1cc(cc(c1)Br)Br 62a_100009814770_100000210206 [0,2,0,0,0,0|2,0,0]=4 10383 B12R1.101 CC(C)Sc1cc(cc(c1)Br)Cl 62a_100000210206_100009814755 [0,2,0,0,0,0|2,0,0]=4 10384 B12R1.101 CC(C)Sc1cc(cc(c1)Br)Cl 62a_100009814755_100000210206 [0,2,0,0,0,0|2,0,0]=4 10385 B12R1.101 CC(C)Sc1cc(cc(c1)Br)F 62a_100000210206_100009814764 [0,2,0,0,0,0|2,0,0]=4 10386 B12R1.101 CC(C)Sc1cc(cc(c1)Br)F 62a_100009814764_100000210206 [0,2,0,0,0,0|2,0,0]=4 10387 B12R1.101 CC(C)Sc1cc(cc(c1)Br)N 62a_100000210206_100009814763 [0,2,0,0,0,0|2,0,0]=4 10388 B12R1.101 CC(C)Sc1cc(cc(c1)Br)N 62a_100009814763_100000210206 [0,2,0,0,0,0|2,0,0]=4 10389 B12R1.101 CC(C)Sc1cc(cc(c1)Br)O 62a_100000210206_100010068917 [0,2,0,0,0,0|2,0,0]=4 10390 B12R1.101 CC(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10391 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)Cl 62a_100000210206_100000747138 [0,2,0,0,0,0|2,0,0]=4 10392 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210206 [0,2,0,0,0,0|2,0,0]=4 10393 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)F 62a_100000210206_100013859453 [0,2,0,0,0,0|2,0,0]=4 10394 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)F 62a_100013859453_100000210206 [0,2,0,0,0,0|2,0,0]=4 10395 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)N 62a_100000210206_100010147676 [0,2,0,0,0,0|2,0,0]=4 10396 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)N 62a_100010147676_100000210206 [0,2,0,0,0,0|2,0,0]=4 10397 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)O 62a_100000210206_100010068924 [0,2,0,0,0,0|2,0,0]=4 10398 B12R1.101 CC(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100000210206 [0,2,0,0,0,0|2,0,0]=4 10399 B12R1.101 CC(C)Sc1cc(cc(c1)F)F 62a_100000210206_100000233788 [0,2,0,0,0,0|2,0,0]=4 10400 B12R1.101 CC(C)Sc1cc(cc(c1)F)F 62a_100000233788_100000210206 [0,2,0,0,0,0|2,0,0]=4 10401 B12R1.101 CC(C)Sc1cc(cc(c1)F)N 62a_100000210206_100011356972 [0,2,0,0,0,0|2,0,0]=4 10402 B12R1.101 CC(C)Sc1cc(cc(c1)F)N 62a_100011356972_100000210206 [0,2,0,0,0,0|2,0,0]=4 10403 B12R1.101 CC(C)Sc1cc(cc(c1)F)O 62a_100000210206_100000688818 [0,2,0,0,0,0|2,0,0]=4 10404 B12R1.101 CC(C)Sc1cc(cc(c1)F)O 62a_100000688818_100000210206 [0,2,0,0,0,0|2,0,0]=4 10405 B12R1.101 CC(C)Sc1cc(cc(c1)N)N 62a_100000210206_100011999608 [0,2,0,0,0,0|2,0,0]=4 10406 B12R1.101 CC(C)Sc1cc(cc(c1)N)N 62a_100011999608_100000210206 [0,2,0,0,0,0|2,0,0]=4 10407 B12R1.101 CC(C)Sc1cc(cc(c1)O)O 62a_100000210206_100009868816 [0,2,0,0,0,0|2,0,0]=4 10408 B12R1.101 CC(C)Sc1cc(cc(n1)O)N 62a_100000210206_200012179554 [0,2,0,0,0,0|1,0,0]=3 10409 B12R1.101 CC(C)Sc1cc(nc(n1)N)N 62a_100000212091_100000210206 [0,2,0,0,0,0|2,0,0]=4 10410 B12R1.101 CC(C)Sc1cc(nc(n1)N)O 62a_100000694715_100000210206 [0,2,0,0,0,0|2,0,0]=4 10411 B12R1.101 CC(C)Sc1nc(=O)cc([nH]1)N 62a_100000101444_100000210206 [0,2,0,0,0,0|2,0,0]=4 10412 B12R1.101 CC(C)Sc1nc(=O)cc([nH]1)N 62a_100000210206_100000101444 [0,2,0,0,0,0|2,0,0]=4 10413 B12R1.101 CC(C)Sc1nc(cc(n1)Cl)Cl 62a_100000210206_100010365624 [0,2,0,0,0,0|2,0,0]=4 10414 B12R1.101 CC(C)Sc1nc(cc(n1)Cl)Cl 62a_100010365624_100000210206 [0,2,0,0,0,0|2,0,0]=4 10415 B12R1.101 CN(C)Cc1cc(=O)[nH]c(n1)O 2230a_100102631434_100000185147 [0,2,0,0,0,0|2,0,0]=4 10416 B12R1.101 CN(C)Cc1cc(=O)[nH]c(n1)O 269982a_100102631434_100000185147 [0,2,0,0,0,0|2,0,0]=4 10417 B12R1.101 CN(C)Cc1cc(cc(c1)Br)Br 2230a_100102631434_100011216082 [0,2,0,0,0,0|2,0,0]=4 10418 B12R1.101 CN(C)Cc1cc(cc(c1)Br)Br 269982a_100102631434_100011216082 [0,2,0,0,0,0|2,0,0]=4 10419 B12R1.101 CN(C)Cc1cc(cc(c1)Br)Br 270004a_100102631434_100000719502 [0,2,0,0,0,0|2,0,0]=4 10420 B12R1.101 CN(C)Cc1cc(cc(c1)Br)Cl 270004a_100102631434_100011934515 [0,2,0,0,0,0|2,0,0]=4 10421 B12R1.101 CN(C)Cc1cc(cc(c1)Br)F 2230a_100102631434_100000766940 [0,2,0,0,0,0|2,0,0]=4 10422 B12R1.101 CN(C)Cc1cc(cc(c1)Br)F 269982a_100102631434_100000766940 [0,2,0,0,0,0|2,0,0]=4 10423 B12R1.101 CN(C)Cc1cc(cc(c1)Br)F 270004a_100102631434_100011794424 [0,2,0,0,0,0|2,0,0]=4 10424 B12R1.101 CN(C)Cc1cc(cc(c1)Br)O 270004a_100102631434_100010176088 [0,2,0,0,0,0|2,0,0]=4 10425 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)Cl 2230a_100016988021_200000210301 [0,2,0,0,0,0|2,0,0]=4 10426 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)Cl 2230a_100102631434_100000685807 [0,2,0,0,0,0|2,0,0]=4 10427 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)Cl 269982a_100016988021_200000210301 [0,2,0,0,0,0|2,0,0]=4 10428 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)Cl 269982a_100102631434_100011219208 [0,2,0,0,0,0|2,0,0]=4 10429 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)Cl 270004a_100102631434_100000741761 [0,2,0,0,0,0|2,0,0]=4 10430 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)Cl 34a_100016988021_200000210301 [0,2,0,0,0,0|2,0,0]=4 10431 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)F 2230a_100102631434_100011219885 [0,2,0,0,0,0|2,0,0]=4 10432 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)F 269982a_100102631434_100011219885 [0,2,0,0,0,0|2,0,0]=4 10433 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)F 270004a_100102631434_100000703917 [0,2,0,0,0,0|2,0,0]=4 10434 B12R1.101 CN(C)Cc1cc(cc(c1)Cl)O 270004a_100102631434_100000050827 [0,2,0,0,0,0|2,0,0]=4 10435 B12R1.101 CN(C)Cc1cc(cc(c1)F)F 2230a_100000720221_200000210301 [0,2,0,0,0,0|2,0,0]=4 10436 B12R1.101 CN(C)Cc1cc(cc(c1)F)F 2230a_100102631434_100000697002 [0,2,0,0,0,0|2,0,0]=4 10437 B12R1.101 CN(C)Cc1cc(cc(c1)F)F 269982a_100000720221_200000210301 [0,2,0,0,0,0|2,0,0]=4 10438 B12R1.101 CN(C)Cc1cc(cc(c1)F)F 269982a_100102631434_100000697002 [0,2,0,0,0,0|2,0,0]=4 10439 B12R1.101 CN(C)Cc1cc(cc(c1)F)F 270004a_100102631434_100000743029 [0,2,0,0,0,0|2,0,0]=4 10440 B12R1.101 CN(C)Cc1cc(cc(c1)F)F 34a_100000720221_200000210301 [0,2,0,0,0,0|2,0,0]=4 10441 B12R1.101 CN(C)Cc1cc(cc(c1)F)O 270004a_100102631434_100000703664 [0,2,0,0,0,0|2,0,0]=4 10442 B12R1.101 CN(C)Cc1cc(cc(c1)F)O 271570a_203496583355_100012630382 [0,2,0,0,0,0|2,0,0]=4 10443 B12R1.101 CN(C)Cc1cc(cc(c1)I)Br 2230a_100102631434_100010146614 [0,2,0,0,0,0|2,0,0]=4 10444 B12R1.101 CN(C)Cc1cc(cc(c1)I)Br 269982a_100102631434_100010146614 [0,2,0,0,0,0|2,0,0]=4 10445 B12R1.101 CN(C)Cc1cc(cc(c1)I)Br 270004a_100102631434_100010185649 [0,2,0,0,0,0|2,0,0]=4 10446 B12R1.101 CN(C)Cc1cc(cc(c1)I)F 2230a_100102631434_100010149605 [0,2,0,0,0,0|2,0,0]=4 10447 B12R1.101 CN(C)Cc1cc(cc(c1)I)F 269982a_100102631434_100010149605 [0,2,0,0,0,0|2,0,0]=4 10448 B12R1.101 CN(C)Cc1cc(cc(c1)I)F 270004a_100102631434_100010185655 [0,2,0,0,0,0|2,0,0]=4 10449 B12R1.101 CN(C)Cc1cc(cc(n1)Cl)Cl 270004a_100102631434_200009876806 [0,2,0,0,0,0|1,0,0]=3 10450 B12R1.101 CN(C)Cc1nc(cc(n1)Cl)Cl 269982a_100102631434_200012001690 [0,2,0,0,0,0|2,0,0]=4 10451 B12R1.101 CN([13CH3])Cc1cc(cc(c1)Cl)Cl 2230a_100016988021_200025704644 [0,2,0,0,0,0|2,0,0]=4 10452 B12R1.101 CN([13CH3])Cc1cc(cc(c1)Cl)Cl 269982a_100016988021_200025704644 [0,2,0,0,0,0|2,0,0]=4 10453 B12R1.101 CN([13CH3])Cc1cc(cc(c1)Cl)Cl 34a_100016988021_200025704644 [0,2,0,0,0,0|2,0,0]=4 10454 B12R1.101 CN([13CH3])Cc1cc(cc(c1)F)F 2230a_100000720221_200025704644 [0,2,0,0,0,0|2,0,0]=4 10455 B12R1.101 CN([13CH3])Cc1cc(cc(c1)F)F 269982a_100000720221_200025704644 [0,2,0,0,0,0|2,0,0]=4 10456 B12R1.101 CN([13CH3])Cc1cc(cc(c1)F)F 34a_100000720221_200025704644 [0,2,0,0,0,0|2,0,0]=4 10457 B12R1.101 Cc1cc(=O)cc(o1)OC(C)C 34a_100016989201_100000210206 [0,2,0,0,0,0|2,0,0]=4 10458 B12R1.101 Cc1cc(cc(c1)CN(C)C)Br 2230a_100102631434_100012348363 [0,2,0,0,0,0|2,0,0]=4 10459 B12R1.101 Cc1cc(cc(c1)CN(C)C)Br 269982a_100102631434_100012348363 [0,2,0,0,0,0|2,0,0]=4 10460 B12R1.101 Cc1cc(cc(c1)CN(C)C)Br 270004a_100102631434_100000686105 [0,2,0,0,0,0|2,0,0]=4 10461 B12R1.101 Cc1cc(cc(c1)CN(C)C)C 2230a_100102631434_100000181317 [0,2,0,0,0,0|2,0,0]=4 10462 B12R1.101 Cc1cc(cc(c1)CN(C)C)C 269982a_100102631434_100000181317 [0,2,0,0,0,0|2,0,0]=4 10463 B12R1.101 Cc1cc(cc(c1)CN(C)C)C 270004a_100102631434_100000745632 [0,2,0,0,0,0|2,0,0]=4 10464 B12R1.101 Cc1cc(cc(c1)CN(C)C)Cl 270004a_100102631434_100000684525 [0,2,0,0,0,0|2,0,0]=4 10465 B12R1.101 Cc1cc(cc(c1)CN(C)C)F 2230a_100102631434_100011219130 [0,2,0,0,0,0|2,0,0]=4 10466 B12R1.101 Cc1cc(cc(c1)CN(C)C)F 269982a_100102631434_100011219130 [0,2,0,0,0,0|2,0,0]=4 10467 B12R1.101 Cc1cc(cc(c1)CN(C)C)F 270004a_100102631434_100011217087 [0,2,0,0,0,0|2,0,0]=4 10468 B12R1.101 Cc1cc(cc(c1)CN(C)C)O 270004a_100102631434_100009853434 [0,2,0,0,0,0|2,0,0]=4 10469 B12R1.101 Cc1cc(cc(c1)NC(C)C)Br 34a_100000695972_100000210206 [0,2,0,0,0,0|2,0,0]=4 10470 B12R1.101 Cc1cc(cc(c1)NC(C)C)Br 7a_100000695972_100000210206 [0,2,0,0,0,0|2,0,0]=4 10471 B12R1.101 Cc1cc(cc(c1)NC(C)C)C 2230a_100000210930_100000210206 [0,2,0,0,0,0|2,0,0]=4 10472 B12R1.101 Cc1cc(cc(c1)NC(C)C)C 34a_100000210930_100000210206 [0,2,0,0,0,0|2,0,0]=4 10473 B12R1.101 Cc1cc(cc(c1)NC(C)C)C 7a_100000210930_100000210206 [0,2,0,0,0,0|2,0,0]=4 10474 B12R1.101 Cc1cc(cc(c1)NC(C)C)Cl 2230a_100012022512_100000210206 [0,2,0,0,0,0|2,0,0]=4 10475 B12R1.101 Cc1cc(cc(c1)NC(C)C)Cl 34a_100012022512_100000210206 [0,2,0,0,0,0|2,0,0]=4 10476 B12R1.101 Cc1cc(cc(c1)NC(C)C)Cl 7a_100012022512_100000210206 [0,2,0,0,0,0|2,0,0]=4 10477 B12R1.101 Cc1cc(cc(c1)NC(C)C)F 2230a_100000742734_100000210206 [0,2,0,0,0,0|2,0,0]=4 10478 B12R1.101 Cc1cc(cc(c1)NC(C)C)F 34a_100000742734_100000210206 [0,2,0,0,0,0|2,0,0]=4 10479 B12R1.101 Cc1cc(cc(c1)NC(C)C)F 7a_100000742734_100000210206 [0,2,0,0,0,0|2,0,0]=4 10480 B12R1.101 Cc1cc(cc(c1)NC(C)C)O 34a_100011995906_100000210206 [0,2,0,0,0,0|2,0,0]=4 10481 B12R1.101 Cc1cc(cc(c1)NC(C)C)O 7a_100011995906_100000210206 [0,2,0,0,0,0|2,0,0]=4 10482 B12R1.101 Cc1cc(cc(c1)OC(C)C)Br 34a_100011999630_100000210206 [0,2,0,0,0,0|2,0,0]=4 10483 B12R1.101 Cc1cc(cc(c1)OC(C)C)Br 7a_100011999630_100000210206 [0,2,0,0,0,0|2,0,0]=4 10484 B12R1.101 Cc1cc(cc(c1)OC(C)C)C 34a_100000210933_100000210206 [0,2,0,0,0,0|2,0,0]=4 10485 B12R1.101 Cc1cc(cc(c1)OC(C)C)C 7a_100000210933_100000210206 [0,2,0,0,0,0|2,0,0]=4 10486 B12R1.101 Cc1cc(cc(c1)OC(C)C)Cl 34a_100000087485_100000210206 [0,2,0,0,0,0|2,0,0]=4 10487 B12R1.101 Cc1cc(cc(c1)OC(C)C)Cl 7a_100000087485_100000210206 [0,2,0,0,0,0|2,0,0]=4 10488 B12R1.101 Cc1cc(cc(c1)OC(C)C)F 34a_100011830401_100000210206 [0,2,0,0,0,0|2,0,0]=4 10489 B12R1.101 Cc1cc(cc(c1)OC(C)C)F 7a_100011830401_100000210206 [0,2,0,0,0,0|2,0,0]=4 10490 B12R1.101 Cc1cc(cc(c1)OC(C)C)N 34a_100011995906_100000210206 [0,2,0,0,0,0|2,0,0]=4 10491 B12R1.101 Cc1cc(cc(c1)OC(C)C)N 7a_100011995906_100000210206 [0,2,0,0,0,0|2,0,0]=4 10492 B12R1.101 Cc1cc(cc(c1)SC(C)C)C 62a_100000210206_100011215608 [0,2,0,0,0,0|2,0,0]=4 10493 B12R1.101 Cc1cc(cc(c1)SC(C)C)C 62a_100011215608_100000210206 [0,2,0,0,0,0|2,0,0]=4 10494 B12R1.101 Cc1cc(cc(c1)SC(C)C)Cl 62a_100000210206_100010172791 [0,2,0,0,0,0|2,0,0]=4 10495 B12R1.101 Cc1cc(cc(c1)SC(C)C)Cl 62a_100010172791_100000210206 [0,2,0,0,0,0|2,0,0]=4 10496 B12R1.101 Cc1cc(cc(c1)SC(C)C)F 62a_100000210206_100011356977 [0,2,0,0,0,0|2,0,0]=4 10497 B12R1.101 Cc1cc(cc(c1)SC(C)C)F 62a_100011356977_100000210206 [0,2,0,0,0,0|2,0,0]=4 10498 B12R1.101 Cc1cc(cc(c1)SC(C)C)N 62a_100000210206_100000695972 [0,2,0,0,0,0|2,0,0]=4 10499 B12R1.101 Cc1cc(cc(c1)SC(C)C)N 62a_100000695972_100000210206 [0,2,0,0,0,0|2,0,0]=4 10500 B12R1.101 Cc1cc(cc(c1)SC(C)C)O 62a_100000210206_100011999630 [0,2,0,0,0,0|2,0,0]=4 10501 B12R1.101 Cc1cc(cc(n1)CN(C)C)Br 270004a_100102631434_100009814795 [0,2,0,0,0,0|1,0,0]=3 10502 B12R1.101 Cc1cc(cc(n1)SC(C)C)N 62a_100000071261_100000210206 [0,2,0,0,0,0|1,0,0]=3 10503 B12R1.101 Cc1cc(cc(n1)SC(C)C)N 62a_100000210206_100000071261 [0,2,0,0,0,0|1,0,0]=3 10504 B12R1.101 Cc1cc(nc(c1)CN(C)C)C 2230a_100013084674_200000210301 [0,2,0,0,0,0|1,0,0]=3 10505 B12R1.101 Cc1cc(nc(c1)CN(C)C)C 2230a_100102631434_100012357514 [0,2,0,0,0,0|1,0,0]=3 10506 B12R1.101 Cc1cc(nc(c1)CN(C)C)C 269982a_100013084674_200000210301 [0,2,0,0,0,0|1,0,0]=3 10507 B12R1.101 Cc1cc(nc(c1)CN(C)C)C 269982a_100102631434_100012357514 [0,2,0,0,0,0|1,0,0]=3 10508 B12R1.101 Cc1cc(nc(c1)CN(C)[13CH3])C 2230a_100013084674_200025704644 [0,2,0,0,0,0|1,0,0]=3 10509 B12R1.101 Cc1cc(nc(c1)CN(C)[13CH3])C 269982a_100013084674_200025704644 [0,2,0,0,0,0|1,0,0]=3 10510 B12R1.101 Cc1cc(nc(c1)NC(C)C)C 27a_100138425928_100000069240 [0,2,0,0,0,0|1,0,0]=3 10511 B12R1.101 Cc1cc(nc(c1)NC(C)C)F 27a_100138425928_100009819601 [0,2,0,0,0,0|1,0,0]=3 10512 B12R1.101 Cc1cc(nc(c1)SC(C)C)C 62a_100000069240_100000210206 [0,2,0,0,0,0|1,0,0]=3 10513 B12R1.101 Cc1cc(nc(c1)SC(C)C)C 62a_100000210206_100000069240 [0,2,0,0,0,0|1,0,0]=3 10514 B12R1.101 Cc1cc(nc(c1)SC(C)C)F 62a_100000210206_100009819601 [0,2,0,0,0,0|1,0,0]=3 10515 B12R1.101 Cc1cc(nc(c1)SC(C)C)F 62a_100009819601_100000210206 [0,2,0,0,0,0|1,0,0]=3 10516 B12R1.101 Cc1cc(nc(c1)SC(C)C)N 62a_100000210206_100009819863 [0,2,0,0,0,0|1,0,0]=3 10517 B12R1.101 Cc1cc(nc(c1)SC(C)C)N 62a_100009819863_100000210206 [0,2,0,0,0,0|1,0,0]=3 10518 B12R1.101 Cc1cc(nc(n1)C)NC(C)C 27a_100138425928_100000736142 [0,2,0,0,0,0|2,0,0]=4 10519 B12R1.101 Cc1cc(nc(n1)C)SC(C)C 62a_100000210206_100000736142 [0,2,0,0,0,0|2,0,0]=4 10520 B12R1.101 Cc1cc(nc(n1)C)SC(C)C 62a_100000736142_100000210206 [0,2,0,0,0,0|2,0,0]=4 10521 B12R1.101 Cc1cc(nc(n1)CN(C)C)C 2230a_100102631434_100011935097 [0,2,0,0,0,0|2,0,0]=4 10522 B12R1.101 Cc1cc(nc(n1)CN(C)C)C 269982a_100102631434_100011935097 [0,2,0,0,0,0|2,0,0]=4 10523 B12R1.101 Cc1cc(nc(n1)N)NC(C)C 27a_100138425928_100000183061 [0,2,0,0,0,0|2,0,0]=4 10524 B12R1.101 Cc1cc(nc(n1)N)SC(C)C 62a_100000183061_100000210206 [0,2,0,0,0,0|2,0,0]=4 10525 B12R1.101 Cc1cc(nc(n1)N)SC(C)C 62a_100000210206_100000183061 [0,2,0,0,0,0|2,0,0]=4 10526 B12R1.101 Cc1cc(nc(n1)NC(C)C)C 27a_100138425928_100000736147 [0,2,0,0,0,0|2,0,0]=4 10527 B12R1.101 Cc1cc(nc(n1)NC(C)C)N 27a_100138425928_100000687285 [0,2,0,0,0,0|2,0,0]=4 10528 B12R1.101 Cc1cc(nc(n1)SC(C)C)C 62a_100000210206_100000736147 [0,2,0,0,0,0|2,0,0]=4 10529 B12R1.101 Cc1cc(nc(n1)SC(C)C)C 62a_100000736147_100000210206 [0,2,0,0,0,0|2,0,0]=4 10530 B12R1.101 Cc1cc(nc(n1)SC(C)C)N 62a_100000210206_100000687285 [0,2,0,0,0,0|2,0,0]=4 10531 B12R1.101 Cc1cc(nc(n1)SC(C)C)N 62a_100000687285_100000210206 [0,2,0,0,0,0|2,0,0]=4 10532 B12R1.101 Cc1nc(cc(n1)NC(C)C)N 27a_100138425928_100000761517 [0,2,0,0,0,0|2,0,0]=4 10533 B12R1.101 Cc1nc(cc(n1)NC(C)C)O 27a_100138425928_106741647437 [0,2,0,0,0,0|2,0,0]=4 10534 B12R1.101 Cc1nc(cc(n1)SC(C)C)N 62a_100000210206_100000761517 [0,2,0,0,0,0|2,0,0]=4 10535 B12R1.101 Cc1nc(cc(n1)SC(C)C)N 62a_100000761517_100000210206 [0,2,0,0,0,0|2,0,0]=4 10536 B12R1.101 Cc1nc(cc(n1)SC(C)C)O 62a_100000210206_106741647437 [0,2,0,0,0,0|2,0,0]=4 10537 B12R1.119 CC(C)(C)Nc1cc(ncn1)O 271570a_203496583355_100011443236 [0,2,0,0,0,0|2,0,0]=4 10538 B12R1.119 CC(C)(C)Nc1cccc(c1)Br 34a_100000210019_100000210625 [0,2,0,0,0,0|2,0,0]=4 10539 B12R1.119 CC(C)(C)Nc1cccc(c1)Cl 34a_100000185859_100000210625 [0,2,0,0,0,0|2,0,0]=4 10540 B12R1.119 CC(C)(C)Nc1cccc(c1)F 34a_100000210047_100000210625 [0,2,0,0,0,0|2,0,0]=4 10541 B12R1.119 CC(C)(C)Nc1cccc(c1)I 34a_100000211102_100000210625 [0,2,0,0,0,0|2,0,0]=4 10542 B12R1.119 CC(C)(C)Nc1cccc(c1)O 34a_100000210217_100000210625 [0,2,0,0,0,0|2,0,0]=4 10543 B12R1.119 CC(C)(C)Oc1cc(ccn1)O 271570a_203496583355_200010237921 [0,2,0,0,0,0|1,0,0]=3 10544 B12R1.119 CC(C)(C)Oc1cccc(=O)[nH]1 34a_100000033347_100000210625 [0,2,0,0,0,0|1,0,1]=4 10545 B12R1.119 CC(C)(C)Oc1cccc(c1)Br 34a_100000210342_100000210625 [0,2,0,0,0,0|2,0,0]=4 10546 B12R1.119 CC(C)(C)Oc1cccc(c1)Cl 34a_100000210295_100000210625 [0,2,0,0,0,0|2,0,0]=4 10547 B12R1.119 CC(C)(C)Oc1cccc(c1)F 34a_100000210426_100000210625 [0,2,0,0,0,0|2,0,0]=4 10548 B12R1.119 CC(C)(C)Oc1cccc(c1)I 34a_100000211634_100000210625 [0,2,0,0,0,0|2,0,0]=4 10549 B12R1.119 CC(C)(C)Oc1cccc(c1)N 34a_100000210217_100000210625 [0,2,0,0,0,0|2,0,0]=4 10550 B12R1.119 CC(C)(C)Oc1cccc(c1)O 271570a_203496583355_100010078498 [0,2,0,0,0,0|2,0,0]=4 10551 B12R1.119 CC(C)(C)Oc1cccc(n1)F 34a_100011432558_100000210625 [0,2,0,0,0,0|1,0,0]=3 10552 B12R1.119 CC(C)(C)Oc1cccc(n1)O 271570a_203496583355_100011960237 [0,2,0,0,0,0|1,0,0]=3 10553 B12R1.119 CC(C)(C)Oc1ccnc(n1)O 271570a_203496583355_200011649801 [0,2,0,0,0,0|2,0,0]=4 10554 B12R1.119 CC(C)(C)Sc1c[n+](ccn1)[O-] 62a_100000211941_100009880115 [0,2,0,0,0,0|2,0,0]=4 10555 B12R1.119 CC(C)(C)Sc1cc(=O)[nH]cn1 62a_100012002517_100000211941 [0,2,0,0,0,0|2,0,0]=4 10556 B12R1.119 CC(C)(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000211941 [0,2,0,0,0,0|1,0,1]=4 10557 B12R1.119 CC(C)(C)Sc1cc(ccn1)Cl 62a_100000211941_100010167805 [0,2,0,0,0,0|1,0,0]=3 10558 B12R1.119 CC(C)(C)Sc1cc(ccn1)Cl 62a_100010167805_100000211941 [0,2,0,0,0,0|1,0,0]=3 10559 B12R1.119 CC(C)(C)Sc1cc(ccn1)F 62a_100000211941_100000764206 [0,2,0,0,0,0|1,0,0]=3 10560 B12R1.119 CC(C)(C)Sc1cc(ccn1)F 62a_100000764206_100000211941 [0,2,0,0,0,0|1,0,0]=3 10561 B12R1.119 CC(C)(C)Sc1cc(ccn1)N 62a_100000211941_100009814236 [0,2,0,0,0,0|1,0,0]=3 10562 B12R1.119 CC(C)(C)Sc1cc(ccn1)N 62a_100009814236_100000211941 [0,2,0,0,0,0|1,0,0]=3 10563 B12R1.119 CC(C)(C)Sc1cc(ccn1)O 62a_100000211941_100000762945 [0,2,0,0,0,0|1,0,0]=3 10564 B12R1.119 CC(C)(C)Sc1cc(cnn1)N 62a_100000211941_100011996757 [0,2,0,0,0,0|2,0,0]=4 10565 B12R1.119 CC(C)(C)Sc1cc(cnn1)N 62a_100011996757_100000211941 [0,2,0,0,0,0|2,0,0]=4 10566 B12R1.119 CC(C)(C)Sc1cc(cnn1)O 62a_100000211941_200010734679 [0,2,0,0,0,0|2,0,0]=4 10567 B12R1.119 CC(C)(C)Sc1cc(ncn1)Cl 62a_100000211941_100010161198 [0,2,0,0,0,0|2,0,0]=4 10568 B12R1.119 CC(C)(C)Sc1cc(ncn1)Cl 62a_100010161198_100000211941 [0,2,0,0,0,0|2,0,0]=4 10569 B12R1.119 CC(C)(C)Sc1cc(ncn1)F 62a_100000211941_200009880791 [0,2,0,0,0,0|2,0,0]=4 10570 B12R1.119 CC(C)(C)Sc1cc(ncn1)F 62a_200009880791_100000211941 [0,2,0,0,0,0|2,0,0]=4 10571 B12R1.119 CC(C)(C)Sc1cc(ncn1)N 62a_100000211941_100000701291 [0,2,0,0,0,0|2,0,0]=4 10572 B12R1.119 CC(C)(C)Sc1cc(ncn1)N 62a_100000701291_100000211941 [0,2,0,0,0,0|2,0,0]=4 10573 B12R1.119 CC(C)(C)Sc1cc(ncn1)O 62a_100000211941_100000765262 [0,2,0,0,0,0|2,0,0]=4 10574 B12R1.119 CC(C)(C)Sc1cc[nH]c(=O)n1 62a_100000211941_200000134032 [0,2,0,0,0,0|2,0,0]=4 10575 B12R1.119 CC(C)(C)Sc1cccc(=O)[nH]1 62a_100000211941_100000752884 [0,2,0,0,0,0|1,0,1]=4 10576 B12R1.119 CC(C)(C)Sc1cccc(c1)Br 62a_100000211941_100000691529 [0,2,0,0,0,0|2,0,0]=4 10577 B12R1.119 CC(C)(C)Sc1cccc(c1)Br 62a_100000691529_100000211941 [0,2,0,0,0,0|2,0,0]=4 10578 B12R1.119 CC(C)(C)Sc1cccc(c1)Cl 62a_100000211941_100000699651 [0,2,0,0,0,0|2,0,0]=4 10579 B12R1.119 CC(C)(C)Sc1cccc(c1)Cl 62a_100000699651_100000211941 [0,2,0,0,0,0|2,0,0]=4 10580 B12R1.119 CC(C)(C)Sc1cccc(c1)F 62a_100000211941_100000685547 [0,2,0,0,0,0|2,0,0]=4 10581 B12R1.119 CC(C)(C)Sc1cccc(c1)F 62a_100000685547_100000211941 [0,2,0,0,0,0|2,0,0]=4 10582 B12R1.119 CC(C)(C)Sc1cccc(c1)N 62a_100000210019_100000211941 [0,2,0,0,0,0|2,0,0]=4 10583 B12R1.119 CC(C)(C)Sc1cccc(c1)N 62a_100000211941_100000210019 [0,2,0,0,0,0|2,0,0]=4 10584 B12R1.119 CC(C)(C)Sc1cccc(c1)O 62a_100000211941_100000211634 [0,2,0,0,0,0|2,0,0]=4 10585 B12R1.119 CC(C)(C)Sc1cccc(c1)[S] 62a_100000211941_114929384022 [0,2,0,0,0,0|2,0,0]=4 10586 B12R1.119 CC(C)(C)Sc1cccc(c1)[S] 62a_114929384022_100000211941 [0,2,0,0,0,0|2,0,0]=4 10587 B12R1.119 CC(C)(C)Sc1cccc(n1)Br 62a_100000211941_100000684672 [0,2,0,0,0,0|1,0,0]=3 10588 B12R1.119 CC(C)(C)Sc1cccc(n1)Br 62a_100000684672_100000211941 [0,2,0,0,0,0|1,0,0]=3 10589 B12R1.119 CC(C)(C)Sc1cccc(n1)Cl 62a_100000051397_100000211941 [0,2,0,0,0,0|1,0,0]=3 10590 B12R1.119 CC(C)(C)Sc1cccc(n1)Cl 62a_100000211941_100000051397 [0,2,0,0,0,0|1,0,0]=3 10591 B12R1.119 CC(C)(C)Sc1cccc(n1)F 62a_100000211941_100009815982 [0,2,0,0,0,0|1,0,0]=3 10592 B12R1.119 CC(C)(C)Sc1cccc(n1)F 62a_100009815982_100000211941 [0,2,0,0,0,0|1,0,0]=3 10593 B12R1.119 CC(C)(C)Sc1cccc(n1)N 62a_100000211941_100000740741 [0,2,0,0,0,0|1,0,0]=3 10594 B12R1.119 CC(C)(C)Sc1cccc(n1)N 62a_100000740741_100000211941 [0,2,0,0,0,0|1,0,0]=3 10595 B12R1.119 CC(C)(C)Sc1ccnc(n1)Cl 62a_100000211941_100010154678 [0,2,0,0,0,0|2,0,0]=4 10596 B12R1.119 CC(C)(C)Sc1ccnc(n1)Cl 62a_100010154678_100000211941 [0,2,0,0,0,0|2,0,0]=4 10597 B12R1.119 CC(C)(C)Sc1ccnc(n1)N 62a_100000055538_100000211941 [0,2,0,0,0,0|2,0,0]=4 10598 B12R1.119 CC(C)(C)Sc1ccnc(n1)N 62a_100000211941_100000055538 [0,2,0,0,0,0|2,0,0]=4 10599 B12R1.119 CC(C)(C)Sc1cncc(n1)Cl 62a_100000211941_100010892449 [0,2,0,0,0,0|2,0,0]=4 10600 B12R1.119 CC(C)(C)Sc1cncc(n1)Cl 62a_100010892449_100000211941 [0,2,0,0,0,0|2,0,0]=4 10601 B12R1.119 CC(C)(C)Sc1cncc(n1)F 62a_100000211941_200009863489 [0,2,0,0,0,0|2,0,0]=4 10602 B12R1.119 CC(C)(C)Sc1cncc(n1)F 62a_200009863489_100000211941 [0,2,0,0,0,0|2,0,0]=4 10603 B12R1.119 CC(C)(C)Sc1cncc(n1)N 62a_100000211941_100000747728 [0,2,0,0,0,0|2,0,0]=4 10604 B12R1.119 CC(C)(C)Sc1cncc(n1)N 62a_100000747728_100000211941 [0,2,0,0,0,0|2,0,0]=4 10605 B12R1.119 CC(C)(C)Sc1cncc(n1)O 62a_100000211941_100011269956 [0,2,0,0,0,0|2,0,0]=4 10606 B12R1.119 CC(C)(C)Sc1nccc(n1)N 62a_100000211941_100000757536 [0,2,0,0,0,0|2,0,0]=4 10607 B12R1.119 CC(C)(C)Sc1nccc(n1)N 62a_100000757536_100000211941 [0,2,0,0,0,0|2,0,0]=4 10608 B12R1.119 CC(C)(C)Sc1nccc(n1)O 62a_100000211941_100011649813 [0,2,0,0,0,0|2,0,0]=4 10609 B12R1.119 CC(C)(O)Cc1cccc(n1)O 271570a_203496583355_100010253926 [0,2,0,0,0,0|0,0,0]=2 10610 B12R1.119 Cc1cc(ncn1)SC(C)(C)C 62a_100000211941_100000744208 [0,2,0,0,0,0|2,0,0]=4 10611 B12R1.119 Cc1cc(ncn1)SC(C)(C)C 62a_100000744208_100000211941 [0,2,0,0,0,0|2,0,0]=4 10612 B12R1.119 Cc1cccc(c1)NC(C)(C)C 34a_100000188690_100000210625 [0,2,0,0,0,0|2,0,0]=4 10613 B12R1.119 Cc1cccc(c1)OC(C)(C)C 34a_100000210337_100000210625 [0,2,0,0,0,0|2,0,0]=4 10614 B12R1.119 Cc1cccc(c1)SC(C)(C)C 62a_100000211941_100011215228 [0,2,0,0,0,0|2,0,0]=4 10615 B12R1.119 Cc1cccc(c1)SC(C)(C)C 62a_100011215228_100000211941 [0,2,0,0,0,0|2,0,0]=4 10616 B12R1.119 Cc1cccc(n1)SC(C)(C)C 62a_100000211941_100000742759 [0,2,0,0,0,0|1,0,0]=3 10617 B12R1.119 Cc1cccc(n1)SC(C)(C)C 62a_100000742759_100000211941 [0,2,0,0,0,0|1,0,0]=3 10618 B12R1.119 Cc1ccnc(c1)SC(C)(C)C 62a_100000211941_100000750283 [0,2,0,0,0,0|1,0,0]=3 10619 B12R1.119 Cc1ccnc(c1)SC(C)(C)C 62a_100000750283_100000211941 [0,2,0,0,0,0|1,0,0]=3 10620 B12R1.119 Cc1ccnc(n1)SC(C)(C)C 62a_100000211941_100011243806 [0,2,0,0,0,0|2,0,0]=4 10621 B12R1.119 Cc1ccnc(n1)SC(C)(C)C 62a_100011243806_100000211941 [0,2,0,0,0,0|2,0,0]=4 10622 B12R1.119 Cc1cncc(n1)SC(C)(C)C 62a_100000211941_100000754123 [0,2,0,0,0,0|2,0,0]=4 10623 B12R1.119 Cc1cncc(n1)SC(C)(C)C 62a_100000754123_100000211941 [0,2,0,0,0,0|2,0,0]=4 10624 B12R1.119 Cc1cnnc(c1)OC(C)(C)C 34a_100000766097_100000210625 [0,2,0,0,0,0|2,0,0]=4 10625 B12R1.119 Cc1cnnc(c1)SC(C)(C)C 62a_100000070100_100000211941 [0,2,0,0,0,0|2,0,0]=4 10626 B12R1.119 Cc1cnnc(c1)SC(C)(C)C 62a_100000211941_100000070100 [0,2,0,0,0,0|2,0,0]=4 10627 B12R1.119 Cc1nccc(n1)SC(C)(C)C 62a_100000211941_100000749937 [0,2,0,0,0,0|2,0,0]=4 10628 B12R1.119 Cc1nccc(n1)SC(C)(C)C 62a_100000749937_100000211941 [0,2,0,0,0,0|2,0,0]=4 10629 B12R1.438 C#Cc1cccc(c1)NC(C)C 2230a_100000735509_100000210206 [0,2,0,0,0,0|2,0,0]=4 10630 B12R1.438 C#Cc1cccc(c1)NC(C)C 34a_100000735509_100000210206 [0,2,0,0,0,0|2,0,0]=4 10631 B12R1.438 C#Cc1cccc(c1)OC(C)C 34a_100011216014_100000210206 [0,2,0,0,0,0|2,0,0]=4 10632 B12R1.438 C#Cc1cccc(c1)OC(C)C 7a_100011216014_100000210206 [0,2,0,0,0,0|2,0,0]=4 10633 B12R1.438 C=Cc1cc(ncn1)NC(C)C 271570a_100011290941_200011443281 [0,2,0,0,0,0|2,0,0]=4 10634 B12R1.438 C=Cc1cc(ncn1)OC(C)C 271570a_100011290941_100011443165 [0,2,0,0,0,0|2,0,0]=4 10635 B12R1.438 C=Cc1cccc(c1)CC(C)C 271570a_100011290941_100010883412 [0,2,0,0,0,0|1,0,0]=3 10636 B12R1.438 C=Cc1cccc(c1)CN(C)C 270004a_100102631434_100011218069 [0,2,0,0,0,0|2,0,0]=4 10637 B12R1.438 C=Cc1cccc(c1)CN(C)C 271570a_100011290941_100000174759 [0,2,0,0,0,0|2,0,0]=4 10638 B12R1.438 C=Cc1cccc(c1)NC(C)C 271570a_100011290941_100000219649 [0,2,0,0,0,0|2,0,0]=4 10639 B12R1.438 C=Cc1cccc(c1)NC(C)C 34a_100011827668_100000210206 [0,2,0,0,0,0|2,0,0]=4 10640 B12R1.438 C=Cc1cccc(c1)OC(C)C 271570a_100011290941_100000170003 [0,2,0,0,0,0|2,0,0]=4 10641 B12R1.438 C=Cc1cccc(c1)OC(C)C 34a_100011309434_100000210206 [0,2,0,0,0,0|2,0,0]=4 10642 B12R1.438 C=Cc1cccc(c1)OC(C)C 7a_100011309434_100000210206 [0,2,0,0,0,0|2,0,0]=4 10643 B12R1.438 C=Cc1cccc(c1)SC(C)C 271570a_100011290941_100009815759 [0,2,0,0,0,0|2,0,0]=4 10644 B12R1.438 C=Cc1cccc(c1)SC(C)C 62a_100000210206_100011215241 [0,2,0,0,0,0|2,0,0]=4 10645 B12R1.438 C=Cc1cccc(c1)SC(C)C 62a_100011215241_100000210206 [0,2,0,0,0,0|2,0,0]=4 10646 B12R1.438 C=Cc1cccc(n1)OC(C)C 271570a_100011290941_100000703025 [0,2,0,0,0,0|1,0,0]=3 10647 B12R1.438 C=Cc1ccnc(c1)NC(C)C 271570a_100011290941_200012354261 [0,2,0,0,0,0|1,0,0]=3 10648 B12R1.438 C=Cc1ccnc(c1)OC(C)C 271570a_100011290941_100010247003 [0,2,0,0,0,0|1,0,0]=3 10649 B12R1.438 C=Cc1nccc(n1)OC(C)C 271570a_100011290941_100011649790 [0,2,0,0,0,0|2,0,0]=4 10650 B12R1.438 CC(=Cc1cc(ccn1)C#N)C 271570a_100102525489_100011291639 [0,2,0,0,0,0|0,0,2]=4 10651 B12R1.438 CC(=Cc1cc(ccn1)C=O)C 271570a_100102525489_100011290808 [0,2,0,0,0,0|0,0,2]=4 10652 B12R1.438 CC(=Cc1cc(ccn1)CO)C 271570a_100102525489_100009814636 [0,2,0,0,0,0|0,0,2]=4 10653 B12R1.438 CC(=Cc1cccc(n1)C#N)C 271570a_100102525489_100011934037 [0,2,0,0,0,0|0,0,2]=4 10654 B12R1.438 CC(=Cc1cccc(n1)C=O)C 271570a_100102525489_100000688028 [0,2,0,0,0,0|0,0,2]=4 10655 B12R1.438 CC(=Cc1cccc(n1)CN)C 271570a_100102525489_100016990191 [0,2,0,0,0,0|0,0,2]=4 10656 B12R1.438 CC(=Cc1cccc(n1)CO)C 271570a_100102525489_100000694195 [0,2,0,0,0,0|0,0,2]=4 10657 B12R1.438 CC(=Cc1cccc(n1)NN)C 271570a_100102525489_100009817029 [0,2,0,0,0,0|0,0,2]=4 10658 B12R1.438 CC(=O)Cc1cccc(n1)C#N 1458a_100000070787_100000097530 [0,2,0,0,0,0|1,0,1]=4 10659 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,2,0,0,0,0|1,0,1]=4 10660 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_100010883412_200025704644 [0,2,0,0,0,0|1,0,0]=3 10661 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_200025704644_100010883412 [0,2,0,0,0,0|1,0,0]=3 10662 B12R1.438 CC(C)Nc1cc(ccn1)C#N 27a_100138425928_100011291639 [0,2,0,0,0,0|1,0,0]=3 10663 B12R1.438 CC(C)Nc1cc(ccn1)S[13CH3] 62a_200012354261_200025704644 [0,2,0,0,0,0|1,0,0]=3 10664 B12R1.438 CC(C)Nc1cc(ccn1)S[13CH3] 62a_200025704644_200012354261 [0,2,0,0,0,0|1,0,0]=3 10665 B12R1.438 CC(C)Nc1cc(ncn1)C#N 27a_100138425928_100000092509 [0,2,0,0,0,0|2,0,0]=4 10666 B12R1.438 CC(C)Nc1cc(ncn1)CO 27a_100138425928_100000731546 [0,2,0,0,0,0|2,0,0]=4 10667 B12R1.438 CC(C)Nc1cc(ncn1)NN 27a_100138425928_100000242035 [0,2,0,0,0,0|2,0,0]=4 10668 B12R1.438 CC(C)Nc1cc(ncn1)S[13CH3] 62a_200011443281_200025704644 [0,2,0,0,0,0|2,0,0]=4 10669 B12R1.438 CC(C)Nc1cc(ncn1)S[13CH3] 62a_200025704644_200011443281 [0,2,0,0,0,0|2,0,0]=4 10670 B12R1.438 CC(C)Nc1cccc(c1)C#N 34a_100000210922_100000210206 [0,2,0,0,0,0|2,0,0]=4 10671 B12R1.438 CC(C)Nc1cccc(c1)C#N 7a_100000210922_100000210206 [0,2,0,0,0,0|2,0,0]=4 10672 B12R1.438 CC(C)Nc1cccc(c1)CF 2230a_100000126320_100000210206 [0,2,0,0,0,0|2,0,0]=4 10673 B12R1.438 CC(C)Nc1cccc(c1)CF 34a_100000126320_100000210206 [0,2,0,0,0,0|2,0,0]=4 10674 B12R1.438 CC(C)Nc1cccc(c1)CF 7a_100000126320_100000210206 [0,2,0,0,0,0|2,0,0]=4 10675 B12R1.438 CC(C)Nc1cccc(c1)CO 2230a_100000211919_100000210206 [0,2,0,0,0,0|2,0,0]=4 10676 B12R1.438 CC(C)Nc1cccc(c1)CO 34a_100000211919_100000210206 [0,2,0,0,0,0|2,0,0]=4 10677 B12R1.438 CC(C)Nc1cccc(c1)S[13CH3] 62a_100000219649_200025704644 [0,2,0,0,0,0|2,0,0]=4 10678 B12R1.438 CC(C)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000219649 [0,2,0,0,0,0|2,0,0]=4 10679 B12R1.438 CC(C)Nc1cccc(n1)C#N 27a_100138425928_100011934037 [0,2,0,0,0,0|1,0,0]=3 10680 B12R1.438 CC(C)Nc1ccnc(n1)C#N 27a_100138425928_100000092507 [0,2,0,0,0,0|2,0,0]=4 10681 B12R1.438 CC(C)Nc1cncc(n1)C#N 27a_100138425928_100009817212 [0,2,0,0,0,0|2,0,0]=4 10682 B12R1.438 CC(C)Nc1cncc(n1)CO 27a_100138425928_100009853123 [0,2,0,0,0,0|2,0,0]=4 10683 B12R1.438 CC(C)Nc1nccc(n1)C#N 27a_100138425928_100000066186 [0,2,0,0,0,0|2,0,0]=4 10684 B12R1.438 CC(C)Oc1cc(ccn1)CN 34a_100000748557_100000210206 [0,2,0,0,0,0|1,0,0]=3 10685 B12R1.438 CC(C)Oc1cc(ccn1)S[13CH3] 62a_100010247003_200025704644 [0,2,0,0,0,0|1,0,0]=3 10686 B12R1.438 CC(C)Oc1cc(ccn1)S[13CH3] 62a_200025704644_100010247003 [0,2,0,0,0,0|1,0,0]=3 10687 B12R1.438 CC(C)Oc1cc(ncn1)S[13CH3] 62a_100011443165_200025704644 [0,2,0,0,0,0|2,0,0]=4 10688 B12R1.438 CC(C)Oc1cc(ncn1)S[13CH3] 62a_200025704644_100011443165 [0,2,0,0,0,0|2,0,0]=4 10689 B12R1.438 CC(C)Oc1cccc(c1)C#N 34a_100000184713_100000210206 [0,2,0,0,0,0|2,0,0]=4 10690 B12R1.438 CC(C)Oc1cccc(c1)C#N 7a_100000184713_100000210206 [0,2,0,0,0,0|2,0,0]=4 10691 B12R1.438 CC(C)Oc1cccc(c1)CBr 34a_100011660834_100000210206 [0,2,0,0,0,0|2,0,0]=4 10692 B12R1.438 CC(C)Oc1cccc(c1)CBr 7a_100011660834_100000210206 [0,2,0,0,0,0|2,0,0]=4 10693 B12R1.438 CC(C)Oc1cccc(c1)CCl 34a_100000084143_100000210206 [0,2,0,0,0,0|2,0,0]=4 10694 B12R1.438 CC(C)Oc1cccc(c1)CCl 7a_100000084143_100000210206 [0,2,0,0,0,0|2,0,0]=4 10695 B12R1.438 CC(C)Oc1cccc(c1)CN 34a_100000743036_100000210206 [0,2,0,0,0,0|2,0,0]=4 10696 B12R1.438 CC(C)Oc1cccc(c1)CO 34a_100011214949_100000210206 [0,2,0,0,0,0|2,0,0]=4 10697 B12R1.438 CC(C)Oc1cccc(c1)CO 7a_100011214949_100000210206 [0,2,0,0,0,0|2,0,0]=4 10698 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 2230a_100011194262_200025704644 [0,2,0,0,0,0|2,0,0]=4 10699 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 34a_100011194262_200025704644 [0,2,0,0,0,0|2,0,0]=4 10700 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 7a_100011194262_200025704644 [0,2,0,0,0,0|2,0,0]=4 10701 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [0,2,0,0,0,0|2,0,0]=4 10702 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [0,2,0,0,0,0|2,0,0]=4 10703 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_100000170003_200025704644 [0,2,0,0,0,0|2,0,0]=4 10704 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_200025704644_100000170003 [0,2,0,0,0,0|2,0,0]=4 10705 B12R1.438 CC(C)Oc1cccc(n1)S[13CH3] 62a_100000703025_200025704644 [0,2,0,0,0,0|1,0,0]=3 10706 B12R1.438 CC(C)Oc1cccc(n1)S[13CH3] 62a_200025704644_100000703025 [0,2,0,0,0,0|1,0,0]=3 10707 B12R1.438 CC(C)Oc1ccnc(n1)S[13CH3] 62a_100011649790_200025704644 [0,2,0,0,0,0|2,0,0]=4 10708 B12R1.438 CC(C)Oc1ccnc(n1)S[13CH3] 62a_200025704644_100011649790 [0,2,0,0,0,0|2,0,0]=4 10709 B12R1.438 CC(C)Sc1cc(ccn1)C#N 62a_100000210206_100011291639 [0,2,0,0,0,0|1,0,0]=3 10710 B12R1.438 CC(C)Sc1cc(ccn1)C=O 62a_100000210206_100011290808 [0,2,0,0,0,0|1,0,0]=3 10711 B12R1.438 CC(C)Sc1cc(ccn1)C=O 62a_100011290808_100000210206 [0,2,0,0,0,0|1,0,0]=3 10712 B12R1.438 CC(C)Sc1cc(ccn1)CN 62a_100000210206_100025757509 [0,2,0,0,0,0|1,0,0]=3 10713 B12R1.438 CC(C)Sc1cc(ccn1)CN 62a_100025757509_100000210206 [0,2,0,0,0,0|1,0,0]=3 10714 B12R1.438 CC(C)Sc1cc(ccn1)CO 62a_100000210206_100009814636 [0,2,0,0,0,0|1,0,0]=3 10715 B12R1.438 CC(C)Sc1cc(ccn1)CO 62a_100009814636_100000210206 [0,2,0,0,0,0|1,0,0]=3 10716 B12R1.438 CC(C)Sc1cc(ccn1)NN 62a_100000089018_100000210206 [0,2,0,0,0,0|1,0,0]=3 10717 B12R1.438 CC(C)Sc1cc(ccn1)NN 62a_100000210206_100000089018 [0,2,0,0,0,0|1,0,0]=3 10718 B12R1.438 CC(C)Sc1cc(ncn1)C#N 62a_100000210206_100000092509 [0,2,0,0,0,0|2,0,0]=4 10719 B12R1.438 CC(C)Sc1cc(ncn1)CO 62a_100000210206_100000731546 [0,2,0,0,0,0|2,0,0]=4 10720 B12R1.438 CC(C)Sc1cc(ncn1)CO 62a_100000731546_100000210206 [0,2,0,0,0,0|2,0,0]=4 10721 B12R1.438 CC(C)Sc1cc(ncn1)NN 62a_100000210206_100000242035 [0,2,0,0,0,0|2,0,0]=4 10722 B12R1.438 CC(C)Sc1cc(ncn1)NN 62a_100000242035_100000210206 [0,2,0,0,0,0|2,0,0]=4 10723 B12R1.438 CC(C)Sc1cccc(c1)C#N 62a_100000210206_100000189340 [0,2,0,0,0,0|2,0,0]=4 10724 B12R1.438 CC(C)Sc1cccc(c1)C=O 62a_100000014684_100000210206 [0,2,0,0,0,0|2,0,0]=4 10725 B12R1.438 CC(C)Sc1cccc(c1)C=O 62a_100000210206_100000014684 [0,2,0,0,0,0|2,0,0]=4 10726 B12R1.438 CC(C)Sc1cccc(c1)CF 62a_100000210206_100010878472 [0,2,0,0,0,0|2,0,0]=4 10727 B12R1.438 CC(C)Sc1cccc(c1)CF 62a_100010878472_100000210206 [0,2,0,0,0,0|2,0,0]=4 10728 B12R1.438 CC(C)Sc1cccc(c1)CN 62a_100000106179_100000210206 [0,2,0,0,0,0|2,0,0]=4 10729 B12R1.438 CC(C)Sc1cccc(c1)CN 62a_100000210206_100000106179 [0,2,0,0,0,0|2,0,0]=4 10730 B12R1.438 CC(C)Sc1cccc(c1)CO 62a_100000210206_100000687537 [0,2,0,0,0,0|2,0,0]=4 10731 B12R1.438 CC(C)Sc1cccc(c1)CO 62a_100000687537_100000210206 [0,2,0,0,0,0|2,0,0]=4 10732 B12R1.438 CC(C)Sc1cccc(c1)NN 62a_100000210206_100000217339 [0,2,0,0,0,0|2,0,0]=4 10733 B12R1.438 CC(C)Sc1cccc(c1)NN 62a_100000217339_100000210206 [0,2,0,0,0,0|2,0,0]=4 10734 B12R1.438 CC(C)Sc1cccc(c1)S[13CH3] 62a_100009815759_200025704644 [0,2,0,0,0,0|2,0,0]=4 10735 B12R1.438 CC(C)Sc1cccc(c1)S[13CH3] 62a_200025704644_100009815759 [0,2,0,0,0,0|2,0,0]=4 10736 B12R1.438 CC(C)Sc1cccc(n1)C#N 62a_100000210206_100011934037 [0,2,0,0,0,0|1,0,0]=3 10737 B12R1.438 CC(C)Sc1cccc(n1)C=O 62a_100000210206_100000688028 [0,2,0,0,0,0|1,0,0]=3 10738 B12R1.438 CC(C)Sc1cccc(n1)C=O 62a_100000688028_100000210206 [0,2,0,0,0,0|1,0,0]=3 10739 B12R1.438 CC(C)Sc1cccc(n1)CN 62a_100000210206_100016990191 [0,2,0,0,0,0|1,0,0]=3 10740 B12R1.438 CC(C)Sc1cccc(n1)CN 62a_100016990191_100000210206 [0,2,0,0,0,0|1,0,0]=3 10741 B12R1.438 CC(C)Sc1cccc(n1)CO 62a_100000210206_100000694195 [0,2,0,0,0,0|1,0,0]=3 10742 B12R1.438 CC(C)Sc1cccc(n1)CO 62a_100000694195_100000210206 [0,2,0,0,0,0|1,0,0]=3 10743 B12R1.438 CC(C)Sc1cccc(n1)NN 62a_100000210206_100009817029 [0,2,0,0,0,0|1,0,0]=3 10744 B12R1.438 CC(C)Sc1cccc(n1)NN 62a_100009817029_100000210206 [0,2,0,0,0,0|1,0,0]=3 10745 B12R1.438 CC(C)Sc1ccnc(n1)C#N 62a_100000210206_100000092507 [0,2,0,0,0,0|2,0,0]=4 10746 B12R1.438 CC(C)Sc1cncc(n1)C#N 62a_100000210206_100009817212 [0,2,0,0,0,0|2,0,0]=4 10747 B12R1.438 CC(C)Sc1cncc(n1)CO 62a_100000210206_100009853123 [0,2,0,0,0,0|2,0,0]=4 10748 B12R1.438 CC(C)Sc1cncc(n1)CO 62a_100009853123_100000210206 [0,2,0,0,0,0|2,0,0]=4 10749 B12R1.438 CC(C)Sc1cncc(n1)NN 62a_100000210206_100102525095 [0,2,0,0,0,0|2,0,0]=4 10750 B12R1.438 CC(C)Sc1cncc(n1)NN 62a_100102525095_100000210206 [0,2,0,0,0,0|2,0,0]=4 10751 B12R1.438 CC(C)Sc1nccc(n1)C#N 62a_100000210206_100000066186 [0,2,0,0,0,0|2,0,0]=4 10752 B12R1.438 CCc1cc(ncn1)NC(C)C 27a_100138425928_100000744278 [0,2,0,0,0,0|2,0,0]=4 10753 B12R1.438 CCc1cc(ncn1)SC(C)C 62a_100000210206_100000744278 [0,2,0,0,0,0|2,0,0]=4 10754 B12R1.438 CCc1cc(ncn1)SC(C)C 62a_100000744278_100000210206 [0,2,0,0,0,0|2,0,0]=4 10755 B12R1.438 CCc1cccc(c1)CN(C)C 270004a_100102631434_100011999841 [0,2,0,0,0,0|2,0,0]=4 10756 B12R1.438 CCc1cccc(c1)NC(C)C 2230a_100000211250_100000210206 [0,2,0,0,0,0|2,0,0]=4 10757 B12R1.438 CCc1cccc(c1)NC(C)C 34a_100000211250_100000210206 [0,2,0,0,0,0|2,0,0]=4 10758 B12R1.438 CCc1cccc(c1)NC(C)C 7a_100000211250_100000210206 [0,2,0,0,0,0|2,0,0]=4 10759 B12R1.438 CCc1cccc(c1)OC(C)C 34a_100000211550_100000210206 [0,2,0,0,0,0|2,0,0]=4 10760 B12R1.438 CCc1cccc(c1)OC(C)C 7a_100000211550_100000210206 [0,2,0,0,0,0|2,0,0]=4 10761 B12R1.438 CCc1cccc(c1)SC(C)C 62a_100000210206_100011263222 [0,2,0,0,0,0|2,0,0]=4 10762 B12R1.438 CCc1cccc(c1)SC(C)C 62a_100011263222_100000210206 [0,2,0,0,0,0|2,0,0]=4 10763 B12R1.438 CCc1cccc(n1)C=C(C)C 271570a_100102525489_100009856026 [0,2,0,0,0,0|0,0,2]=4 10764 B12R1.438 CCc1cccc(n1)SC(C)C 62a_100000210206_100009856026 [0,2,0,0,0,0|1,0,0]=3 10765 B12R1.438 CCc1cccc(n1)SC(C)C 62a_100009856026_100000210206 [0,2,0,0,0,0|1,0,0]=3 10766 B12R1.438 CCc1ccnc(c1)C=C(C)C 271570a_100102525489_100009817561 [0,2,0,0,0,0|0,0,2]=4 10767 B12R1.438 CCc1ccnc(c1)NC(C)C 27a_100138425928_100009817561 [0,2,0,0,0,0|1,0,0]=3 10768 B12R1.438 CCc1ccnc(c1)SC(C)C 62a_100000210206_100009817561 [0,2,0,0,0,0|1,0,0]=3 10769 B12R1.438 CCc1ccnc(c1)SC(C)C 62a_100009817561_100000210206 [0,2,0,0,0,0|1,0,0]=3 10770 B12R1.438 CCc1ccnc(n1)NC(C)C 27a_100138425928_100000100215 [0,2,0,0,0,0|2,0,0]=4 10771 B12R1.438 CCc1ccnc(n1)SC(C)C 62a_100000100215_100000210206 [0,2,0,0,0,0|2,0,0]=4 10772 B12R1.438 CCc1ccnc(n1)SC(C)C 62a_100000210206_100000100215 [0,2,0,0,0,0|2,0,0]=4 10773 B12R1.438 CN(C)Cc1cc(ccn1)C#N 270004a_100102631434_100009883299 [0,2,0,0,0,0|1,0,0]=3 10774 B12R1.438 CN(C)Cc1cccc(c1)C#N 2230a_100000168042_200000210301 [0,2,0,0,0,0|2,0,0]=4 10775 B12R1.438 CN(C)Cc1cccc(c1)C#N 2230a_100102631434_100000233786 [0,2,0,0,0,0|2,0,0]=4 10776 B12R1.438 CN(C)Cc1cccc(c1)C#N 269982a_100000168042_200000210301 [0,2,0,0,0,0|2,0,0]=4 10777 B12R1.438 CN(C)Cc1cccc(c1)C#N 269982a_100102631434_100000233786 [0,2,0,0,0,0|2,0,0]=4 10778 B12R1.438 CN(C)Cc1cccc(c1)C#N 270004a_100102631434_100000241001 [0,2,0,0,0,0|2,0,0]=4 10779 B12R1.438 CN(C)Cc1cccc(c1)C#N 34a_100000168042_200000210301 [0,2,0,0,0,0|2,0,0]=4 10780 B12R1.438 CN(C)Cc1cccc(c1)C=O 2230a_100102631434_100009816774 [0,2,0,0,0,0|2,0,0]=4 10781 B12R1.438 CN(C)Cc1cccc(c1)C=O 269982a_100102631434_100009816774 [0,2,0,0,0,0|2,0,0]=4 10782 B12R1.438 CN(C)Cc1cccc(c1)CO 2230a_100102631434_100010188025 [0,2,0,0,0,0|2,0,0]=4 10783 B12R1.438 CN(C)Cc1cccc(c1)CO 269982a_100102631434_100010188025 [0,2,0,0,0,0|2,0,0]=4 10784 B12R1.438 CN(C)Cc1cccc(c1)CO 270004a_100102631434_200000050894 [0,2,0,0,0,0|2,0,0]=4 10785 B12R1.438 CN(C)Cc1cccc(c1)S[13CH3] 62a_100000174759_200025704644 [0,2,0,0,0,0|2,0,0]=4 10786 B12R1.438 CN(C)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000174759 [0,2,0,0,0,0|2,0,0]=4 10787 B12R1.438 CN(C)Cc1cccc(n1)C#N 2230a_100102631434_100000097530 [0,2,0,0,0,0|1,0,0]=3 10788 B12R1.438 CN(C)Cc1cccc(n1)C#N 269982a_100102631434_100000097530 [0,2,0,0,0,0|1,0,0]=3 10789 B12R1.438 CN(C)Cc1cccc(n1)CF 270004a_100102631434_100016121940 [0,2,0,0,0,0|1,0,0]=3 10790 B12R1.438 CN(C)Cc1cccc(n1)CO 2230a_100102631434_100009813551 [0,2,0,0,0,0|1,0,0]=3 10791 B12R1.438 CN(C)Cc1cccc(n1)CO 269982a_100102631434_100009813551 [0,2,0,0,0,0|1,0,0]=3 10792 B12R1.438 CN(C)Cc1cccc(n1)CO 270004a_100102631434_200000070131 [0,2,0,0,0,0|1,0,0]=3 10793 B12R1.438 CN([13CH3])Cc1cccc(c1)C#N 2230a_100000168042_200025704644 [0,2,0,0,0,0|2,0,0]=4 10794 B12R1.438 CN([13CH3])Cc1cccc(c1)C#N 269982a_100000168042_200025704644 [0,2,0,0,0,0|2,0,0]=4 10795 B12R1.438 CN([13CH3])Cc1cccc(c1)C#N 34a_100000168042_200025704644 [0,2,0,0,0,0|2,0,0]=4 10796 B12R1.438 CNc1cc(ncn1)NC(C)C 27a_100102657272_200011443281 [0,2,0,0,0,0|2,0,0]=4 10797 B12R1.438 CNc1cc(ncn1)NC(C)C 27a_100138425928_100000756605 [0,2,0,0,0,0|2,0,0]=4 10798 B12R1.438 CNc1cc(ncn1)OC(C)C 27a_100102657272_100011443165 [0,2,0,0,0,0|2,0,0]=4 10799 B12R1.438 CNc1cc(ncn1)SC(C)C 62a_100000210206_100000756605 [0,2,0,0,0,0|2,0,0]=4 10800 B12R1.438 CNc1cc(ncn1)SC(C)C 62a_100000756605_100000210206 [0,2,0,0,0,0|2,0,0]=4 10801 B12R1.438 CNc1cccc(c1)OC(C)C 2230a_100011194262_200000210301 [0,2,0,0,0,0|2,0,0]=4 10802 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100000756613_100000210206 [0,2,0,0,0,0|2,0,0]=4 10803 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100011194262_200000210301 [0,2,0,0,0,0|2,0,0]=4 10804 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100000756613_100000210206 [0,2,0,0,0,0|2,0,0]=4 10805 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100011194262_200000210301 [0,2,0,0,0,0|2,0,0]=4 10806 B12R1.438 CNc1cccc(c1)SC(C)C 62a_100000210206_100000219648 [0,2,0,0,0,0|2,0,0]=4 10807 B12R1.438 CNc1cccc(c1)SC(C)C 62a_100000219648_100000210206 [0,2,0,0,0,0|2,0,0]=4 10808 B12R1.438 CNc1cccc(n1)C=C(C)C 271570a_100102525489_100000703281 [0,2,0,0,0,0|0,0,2]=4 10809 B12R1.438 CNc1cccc(n1)OC(C)C 27a_100102657272_100000703025 [0,2,0,0,0,0|1,0,0]=3 10810 B12R1.438 CNc1cccc(n1)SC(C)C 62a_100000210206_100000703281 [0,2,0,0,0,0|1,0,0]=3 10811 B12R1.438 CNc1cccc(n1)SC(C)C 62a_100000703281_100000210206 [0,2,0,0,0,0|1,0,0]=3 10812 B12R1.438 CNc1ccnc(c1)C=C(C)C 271570a_100102525489_100009869472 [0,2,0,0,0,0|0,0,2]=4 10813 B12R1.438 CNc1ccnc(c1)NC(C)C 27a_100102657272_200012354261 [0,2,0,0,0,0|1,0,0]=3 10814 B12R1.438 CNc1ccnc(c1)OC(C)C 27a_100102657272_100010247003 [0,2,0,0,0,0|1,0,0]=3 10815 B12R1.438 CNc1ccnc(c1)SC(C)C 62a_100000210206_100009869472 [0,2,0,0,0,0|1,0,0]=3 10816 B12R1.438 CNc1ccnc(c1)SC(C)C 62a_100009869472_100000210206 [0,2,0,0,0,0|1,0,0]=3 10817 B12R1.438 CNc1ccnc(n1)NC(C)C 27a_100138425928_100011649947 [0,2,0,0,0,0|2,0,0]=4 10818 B12R1.438 CNc1ccnc(n1)SC(C)C 62a_100000210206_100011649947 [0,2,0,0,0,0|2,0,0]=4 10819 B12R1.438 CNc1ccnc(n1)SC(C)C 62a_100011649947_100000210206 [0,2,0,0,0,0|2,0,0]=4 10820 B12R1.438 CNc1cncc(n1)SC(C)C 62a_100000210206_100011529438 [0,2,0,0,0,0|2,0,0]=4 10821 B12R1.438 CNc1cncc(n1)SC(C)C 62a_100011529438_100000210206 [0,2,0,0,0,0|2,0,0]=4 10822 B12R1.438 CNc1nccc(n1)NC(C)C 27a_100138425928_100012000420 [0,2,0,0,0,0|2,0,0]=4 10823 B12R1.438 CNc1nccc(n1)OC(C)C 27a_100102657272_100011649790 [0,2,0,0,0,0|2,0,0]=4 10824 B12R1.438 CNc1nccc(n1)SC(C)C 62a_100000210206_100012000420 [0,2,0,0,0,0|2,0,0]=4 10825 B12R1.438 CNc1nccc(n1)SC(C)C 62a_100012000420_100000210206 [0,2,0,0,0,0|2,0,0]=4 10826 B12R1.438 COc1cc(ncn1)NC(C)C 27a_100138425928_100000049997 [0,2,0,0,0,0|2,0,0]=4 10827 B12R1.438 COc1cc(ncn1)SC(C)C 62a_100000049997_100000210206 [0,2,0,0,0,0|2,0,0]=4 10828 B12R1.438 COc1cc(ncn1)SC(C)C 62a_100000210206_100000049997 [0,2,0,0,0,0|2,0,0]=4 10829 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100000184262_200000210301 [0,2,0,0,0,0|2,0,0]=4 10830 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100102631434_100000211672 [0,2,0,0,0,0|2,0,0]=4 10831 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100000184262_200000210301 [0,2,0,0,0,0|2,0,0]=4 10832 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100102631434_100000688526 [0,2,0,0,0,0|2,0,0]=4 10833 B12R1.438 COc1cccc(c1)CN(C)C 270004a_100102631434_100000170238 [0,2,0,0,0,0|2,0,0]=4 10834 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 2230a_100000184262_200025704644 [0,2,0,0,0,0|2,0,0]=4 10835 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 269982a_100000184262_200025704644 [0,2,0,0,0,0|2,0,0]=4 10836 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [0,2,0,0,0,0|2,0,0]=4 10837 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [0,2,0,0,0,0|2,0,0]=4 10838 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [0,2,0,0,0,0|2,0,0]=4 10839 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [0,2,0,0,0,0|2,0,0]=4 10840 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [0,2,0,0,0,0|2,0,0]=4 10841 B12R1.438 COc1cccc(c1)SC(C)C 62a_100000210206_100000170001 [0,2,0,0,0,0|2,0,0]=4 10842 B12R1.438 COc1cccc(n1)C=C(C)C 271570a_100102525489_100000760917 [0,2,0,0,0,0|0,0,2]=4 10843 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,2,0,0,0,0|1,0,1]=4 10844 B12R1.438 COc1cccc(n1)CN(C)C 2230a_100102631434_100000755263 [0,2,0,0,0,0|1,0,0]=3 10845 B12R1.438 COc1cccc(n1)CN(C)C 269982a_100102631434_100000755263 [0,2,0,0,0,0|1,0,0]=3 10846 B12R1.438 COc1cccc(n1)CN(C)C 270004a_100102631434_100000694346 [0,2,0,0,0,0|1,0,0]=3 10847 B12R1.438 COc1cccc(n1)SC(C)C 62a_100000210206_100000760917 [0,2,0,0,0,0|1,0,0]=3 10848 B12R1.438 COc1cccc(n1)SC(C)C 62a_100000760917_100000210206 [0,2,0,0,0,0|1,0,0]=3 10849 B12R1.438 COc1ccnc(c1)C=C(C)C 271570a_100102525489_100011216251 [0,2,0,0,0,0|0,0,2]=4 10850 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,2,0,0,0,0|1,0,1]=4 10851 B12R1.438 COc1ccnc(c1)CN(C)C 2230a_100102631434_100000752681 [0,2,0,0,0,0|1,0,0]=3 10852 B12R1.438 COc1ccnc(c1)CN(C)C 269982a_100102631434_100000752681 [0,2,0,0,0,0|1,0,0]=3 10853 B12R1.438 COc1ccnc(c1)CN(C)C 270004a_100102631434_100000087537 [0,2,0,0,0,0|1,0,0]=3 10854 B12R1.438 COc1ccnc(c1)SC(C)C 62a_100000210206_100011216251 [0,2,0,0,0,0|1,0,0]=3 10855 B12R1.438 COc1ccnc(c1)SC(C)C 62a_100009817693_100000210206 [0,2,0,0,0,0|1,0,0]=3 10856 B12R1.438 COc1ccnc(n1)NC(C)C 27a_100138425928_100000182009 [0,2,0,0,0,0|2,0,0]=4 10857 B12R1.438 COc1ccnc(n1)SC(C)C 62a_100000182009_100000210206 [0,2,0,0,0,0|2,0,0]=4 10858 B12R1.438 COc1ccnc(n1)SC(C)C 62a_100000210206_100000182009 [0,2,0,0,0,0|2,0,0]=4 10859 B12R1.438 COc1cncc(n1)NC(C)C 27a_100138425928_100009819700 [0,2,0,0,0,0|2,0,0]=4 10860 B12R1.438 COc1cncc(n1)SC(C)C 62a_100000210206_100000756030 [0,2,0,0,0,0|2,0,0]=4 10861 B12R1.438 COc1cncc(n1)SC(C)C 62a_100000756030_100000210206 [0,2,0,0,0,0|2,0,0]=4 10862 B12R1.438 COc1cnnc(c1)SC(C)C 62a_100000210206_100000087634 [0,2,0,0,0,0|2,0,0]=4 10863 B12R1.438 COc1nccc(n1)NC(C)C 27a_100138425928_100000069072 [0,2,0,0,0,0|2,0,0]=4 10864 B12R1.438 COc1nccc(n1)SC(C)C 62a_100000069072_100000210206 [0,2,0,0,0,0|2,0,0]=4 10865 B12R1.438 COc1nccc(n1)SC(C)C 62a_100000210206_100000069072 [0,2,0,0,0,0|2,0,0]=4 10866 B12R1.438 CSc1cc(ncn1)NC(C)C 27a_100138425928_100011443430 [0,2,0,0,0,0|2,0,0]=4 10867 B12R1.438 CSc1cc(ncn1)NC(C)C 62a_200000210301_200011443281 [0,2,0,0,0,0|2,0,0]=4 10868 B12R1.438 CSc1cc(ncn1)NC(C)C 62a_200011443281_200000210301 [0,2,0,0,0,0|2,0,0]=4 10869 B12R1.438 CSc1cc(ncn1)OC(C)C 62a_100011443165_200000210301 [0,2,0,0,0,0|2,0,0]=4 10870 B12R1.438 CSc1cc(ncn1)OC(C)C 62a_200000210301_100011443165 [0,2,0,0,0,0|2,0,0]=4 10871 B12R1.438 CSc1cc(ncn1)SC(C)C 62a_100000210206_100011443430 [0,2,0,0,0,0|2,0,0]=4 10872 B12R1.438 CSc1cc(ncn1)SC(C)C 62a_100011443430_100000210206 [0,2,0,0,0,0|2,0,0]=4 10873 B12R1.438 CSc1cccc(c1)CC(C)C 62a_100010883412_200000210301 [0,2,0,0,0,0|1,0,0]=3 10874 B12R1.438 CSc1cccc(c1)CC(C)C 62a_200000210301_100010883412 [0,2,0,0,0,0|1,0,0]=3 10875 B12R1.438 CSc1cccc(c1)CN(C)C 2230a_100011934695_200000210301 [0,2,0,0,0,0|2,0,0]=4 10876 B12R1.438 CSc1cccc(c1)CN(C)C 269982a_100011934695_200000210301 [0,2,0,0,0,0|2,0,0]=4 10877 B12R1.438 CSc1cccc(c1)CN(C)C 270004a_100102631434_100011935093 [0,2,0,0,0,0|2,0,0]=4 10878 B12R1.438 CSc1cccc(c1)CN(C)C 62a_100000174759_200000210301 [0,2,0,0,0,0|2,0,0]=4 10879 B12R1.438 CSc1cccc(c1)CN(C)C 62a_200000210301_100000174759 [0,2,0,0,0,0|2,0,0]=4 10880 B12R1.438 CSc1cccc(c1)CN(C)[13CH3] 2230a_100011934695_200025704644 [0,2,0,0,0,0|2,0,0]=4 10881 B12R1.438 CSc1cccc(c1)CN(C)[13CH3] 269982a_100011934695_200025704644 [0,2,0,0,0,0|2,0,0]=4 10882 B12R1.438 CSc1cccc(c1)NC(C)C 2230a_100000210049_100000210206 [0,2,0,0,0,0|2,0,0]=4 10883 B12R1.438 CSc1cccc(c1)NC(C)C 34a_100000210049_100000210206 [0,2,0,0,0,0|2,0,0]=4 10884 B12R1.438 CSc1cccc(c1)NC(C)C 62a_100000219649_200000210301 [0,2,0,0,0,0|2,0,0]=4 10885 B12R1.438 CSc1cccc(c1)NC(C)C 62a_200000210301_100000219649 [0,2,0,0,0,0|2,0,0]=4 10886 B12R1.438 CSc1cccc(c1)OC(C)C 34a_100011265683_100000210206 [0,2,0,0,0,0|2,0,0]=4 10887 B12R1.438 CSc1cccc(c1)OC(C)C 62a_100000170003_200000210301 [0,2,0,0,0,0|2,0,0]=4 10888 B12R1.438 CSc1cccc(c1)OC(C)C 62a_200000210301_100000170003 [0,2,0,0,0,0|2,0,0]=4 10889 B12R1.438 CSc1cccc(c1)OC(C)C 7a_100011265683_100000210206 [0,2,0,0,0,0|2,0,0]=4 10890 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100000210206_100011215954 [0,2,0,0,0,0|2,0,0]=4 10891 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100009815759_200000210301 [0,2,0,0,0,0|2,0,0]=4 10892 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100011215954_100000210206 [0,2,0,0,0,0|2,0,0]=4 10893 B12R1.438 CSc1cccc(c1)SC(C)C 62a_200000210301_100009815759 [0,2,0,0,0,0|2,0,0]=4 10894 B12R1.438 CSc1cccc(n1)C=C(C)C 271570a_100102525489_100011960944 [0,2,0,0,0,0|0,0,2]=4 10895 B12R1.438 CSc1cccc(n1)OC(C)C 62a_100000703025_200000210301 [0,2,0,0,0,0|1,0,0]=3 10896 B12R1.438 CSc1cccc(n1)OC(C)C 62a_200000210301_100000703025 [0,2,0,0,0,0|1,0,0]=3 10897 B12R1.438 CSc1cccc(n1)SC(C)C 62a_100000210206_100011960944 [0,2,0,0,0,0|1,0,0]=3 10898 B12R1.438 CSc1cccc(n1)SC(C)C 62a_100011960944_100000210206 [0,2,0,0,0,0|1,0,0]=3 10899 B12R1.438 CSc1ccnc(c1)C=C(C)C 271570a_100102525489_100010883326 [0,2,0,0,0,0|0,0,2]=4 10900 B12R1.438 CSc1ccnc(c1)NC(C)C 62a_200000210301_200012354261 [0,2,0,0,0,0|1,0,0]=3 10901 B12R1.438 CSc1ccnc(c1)NC(C)C 62a_200012354261_200000210301 [0,2,0,0,0,0|1,0,0]=3 10902 B12R1.438 CSc1ccnc(c1)OC(C)C 62a_100010247003_200000210301 [0,2,0,0,0,0|1,0,0]=3 10903 B12R1.438 CSc1ccnc(c1)OC(C)C 62a_200000210301_100010247003 [0,2,0,0,0,0|1,0,0]=3 10904 B12R1.438 CSc1ccnc(c1)SC(C)C 62a_100000210206_100010883326 [0,2,0,0,0,0|1,0,0]=3 10905 B12R1.438 CSc1ccnc(c1)SC(C)C 62a_100010883326_100000210206 [0,2,0,0,0,0|1,0,0]=3 10906 B12R1.438 CSc1ccnc(n1)NC(C)C 27a_100138425928_100011650323 [0,2,0,0,0,0|2,0,0]=4 10907 B12R1.438 CSc1ccnc(n1)SC(C)C 62a_100000210206_100011650323 [0,2,0,0,0,0|2,0,0]=4 10908 B12R1.438 CSc1ccnc(n1)SC(C)C 62a_100011650323_100000210206 [0,2,0,0,0,0|2,0,0]=4 10909 B12R1.438 CSc1nccc(n1)CN(C)C 2230a_200103168411_200000210301 [0,2,0,0,0,0|2,0,0]=4 10910 B12R1.438 CSc1nccc(n1)CN(C)C 269982a_200103168411_200000210301 [0,2,0,0,0,0|2,0,0]=4 10911 B12R1.438 CSc1nccc(n1)CN(C)[13CH3] 2230a_200103168411_200025704644 [0,2,0,0,0,0|2,0,0]=4 10912 B12R1.438 CSc1nccc(n1)CN(C)[13CH3] 269982a_200103168411_200025704644 [0,2,0,0,0,0|2,0,0]=4 10913 B12R1.438 CSc1nccc(n1)NC(C)C 27a_100138425928_100000032126 [0,2,0,0,0,0|2,0,0]=4 10914 B12R1.438 CSc1nccc(n1)OC(C)C 62a_100011649790_200000210301 [0,2,0,0,0,0|2,0,0]=4 10915 B12R1.438 CSc1nccc(n1)OC(C)C 62a_200000210301_100011649790 [0,2,0,0,0,0|2,0,0]=4 10916 B12R1.438 CSc1nccc(n1)SC(C)C 62a_100000032126_100000210206 [0,2,0,0,0,0|2,0,0]=4 10917 B12R1.438 CSc1nccc(n1)SC(C)C 62a_100000210206_100000032126 [0,2,0,0,0,0|2,0,0]=4 10918 B10R1.39 C=Cc1cn[nH]c1C(C)C 271570a_100011290941_100000690187 [0,0,1,1,0,0|1,0,1]=4 10919 B10R1.39 C=Cc1cncn1C(C)C 271570a_100011290941_100009849687 [0,0,1,1,0,0|1,0,0]=3 10920 B10R1.66 CC(C)C=Cc1c[nH]cn1 271570a_100016257149_100000756875 [0,0,1,1,0,0|1,0,1]=4 10921 B10R1.66 CC(C)C=Cc1cc[nH]n1 271570a_100016257149_100000062575 [0,0,1,1,0,0|1,0,1]=4 10922 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,0,1,1,0,0|1,0,1]=4 10923 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,0,1,1,0,0|1,0,1]=4 10924 B10R1.66 CC(C)C=Cc1ccsn1 271570a_100016257149_100009818082 [0,0,1,1,0,0|1,0,1]=4 10925 B10R1.66 CC(C)C=Cc1cscn1 271570a_100016257149_100000751502 [0,0,1,1,0,0|1,0,1]=4 10926 B10R1.66 CC(C)C=Cc1ncc[nH]1 271570a_100016257149_100025796157 [0,0,1,1,0,0|1,0,1]=4 10927 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [0,0,1,1,0,0|1,0,1]=4 10928 B10R1.66 CC(C)C=Cc1nccs1 271570a_100016257149_100000211983 [0,0,1,1,0,0|1,0,1]=4 10929 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000210624_100000756875 [0,0,1,1,0,0|2,0,0]=4 10930 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000756875_100000210760 [0,0,1,1,0,0|2,0,0]=4 10931 B10R1.66 CC(C)CSc1cc[nH]n1 62a_100000062575_100000210760 [0,0,1,1,0,0|2,0,0]=4 10932 B10R1.66 CC(C)CSc1cc[nH]n1 62a_100000210624_100000062575 [0,0,1,1,0,0|2,0,0]=4 10933 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,1,1,0,0|2,0,0]=4 10934 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,1,1,0,0|2,0,0]=4 10935 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,0,1,1,0,0|2,0,0]=4 10936 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,0,1,1,0,0|2,0,0]=4 10937 B10R1.66 CC(C)CSc1ccon1 62a_100000210624_100009818083 [0,0,1,1,0,0|2,0,0]=4 10938 B10R1.66 CC(C)CSc1ccon1 62a_100009818083_100000210760 [0,0,1,1,0,0|2,0,0]=4 10939 B10R1.66 CC(C)CSc1ccsn1 62a_100000210624_100009818082 [0,0,1,1,0,0|2,0,0]=4 10940 B10R1.66 CC(C)CSc1ccsn1 62a_100009818082_100000210760 [0,0,1,1,0,0|2,0,0]=4 10941 B10R1.66 CC(C)CSc1cscn1 62a_100000210624_100000751502 [0,0,1,1,0,0|2,0,0]=4 10942 B10R1.66 CC(C)CSc1cscn1 62a_100000751502_100000210760 [0,0,1,1,0,0|2,0,0]=4 10943 B10R1.66 CC(C)CSc1ncc[nH]1 62a_100000210624_100025796157 [0,0,1,1,0,0|2,0,0]=4 10944 B10R1.66 CC(C)CSc1ncc[nH]1 62a_100025796157_100000210760 [0,0,1,1,0,0|2,0,0]=4 10945 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,0,1,1,0,0|2,0,0]=4 10946 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,0,1,1,0,0|2,0,0]=4 10947 B10R1.66 CC(C)CSc1nccs1 62a_100000210624_100000211983 [0,0,1,1,0,0|2,0,0]=4 10948 B10R1.66 CC(C)CSc1nccs1 62a_100000211983_100000210760 [0,0,1,1,0,0|2,0,0]=4 10949 B10R1.180 C=CC=CC(=O)CC1CC1 1458a_100016291481_100000742324 [0,0,1,1,0,0|1,0,0]=3 10950 B10R1.180 C=CC=CC(=O)CC1CO1 1458a_100016291481_100011216344 [0,0,1,1,0,0|2,0,0]=4 10951 B10R1.180 C=CC=CC(=O)CC1CS1 1458a_100016291481_100000031435 [0,0,1,1,0,0|2,0,0]=4 10952 B10R1.180 C=CC=CC(=O)C[C@@H]1CO1 1458a_100016291481_100000745022 [0,0,1,1,0,0|2,0,0]=4 10953 B10R1.180 C=CC=CC(=O)NC1CC1 1626a_100000212008_100016291481 [0,0,1,1,0,0|2,0,0]=4 10954 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [1,0,0,1,0,0|2,0,0]=4 10955 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [1,0,0,1,0,0|1,0,0]=3 10956 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,0]=3 10957 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|0,0,0]=2 10958 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [1,0,0,1,0,0|1,0,0]=3 10959 B10R2.6 c1cnc(nc1)C2CC2 271570a_100011220607_100000211032 [1,0,0,1,0,0|1,0,0]=3 10960 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|2,0,0]=4 10961 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [1,0,0,1,0,0|1,0,0]=3 10962 B10R2.193 c1c[nH]c(n1)SC2CC2 62a_100025796157_100000211595 [0,0,0,1,1,0|2,0,0]=4 10963 B10R2.193 c1cc(co1)SC2CC2 62a_100011215275_100000211595 [0,0,0,1,1,0|2,0,0]=4 10964 B10R2.193 c1cc(cs1)OC2CC2 34a_100000106738_100000211595 [0,0,0,1,1,0|2,0,0]=4 10965 B10R2.193 c1cc(cs1)SC2CC2 62a_100000738268_100000211595 [0,0,0,1,1,0|2,0,0]=4 10966 B10R2.193 c1cc(n[nH]1)SC2CC2 62a_100000062575_100000211595 [0,0,0,1,1,0|2,0,0]=4 10967 B10R2.193 c1cc(no1)SC2CC2 62a_100009818083_100000211595 [0,0,0,1,1,0|2,0,0]=4 10968 B10R2.193 c1cc(ns1)SC2CC2 62a_100009818082_100000211595 [0,0,0,1,1,0|2,0,0]=4 10969 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [0,0,0,1,1,0|2,0,0]=4 10970 B10R2.193 c1coc(n1)SC2CC2 62a_100011787736_100000211595 [0,0,0,1,1,0|2,0,0]=4 10971 B10R2.193 c1csc(c1)SC2CC2 62a_100011215356_100000211595 [0,0,0,1,1,0|2,0,0]=4 10972 B10R2.193 c1csc(n1)SC2CC2 62a_100000211983_100000211595 [0,0,0,1,1,0|2,0,0]=4 10973 B10R2.193 c1nc(c[nH]1)SC2CC2 62a_100000756875_100000211595 [0,0,0,1,1,0|2,0,0]=4 10974 B10R2.193 c1nc(cs1)SC2CC2 62a_100000751502_100000211595 [0,0,0,1,1,0|2,0,0]=4 10975 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 10976 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 10977 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 10978 B12R2.11 F[C@@H]1C[C@H]1Nc2cccnn2 27a_100025746932_100016991348 [0,0,0,1,0,1|2,0,0]=4 10979 B12R2.11 F[C@@H]1C[C@H]1Nc2ccncn2 27a_100025746932_100000703185 [0,0,0,1,0,1|2,0,0]=4 10980 B12R2.11 F[C@@H]1C[C@H]1Nc2cnccn2 27a_100025746932_100000211759 [0,0,0,1,0,1|2,0,0]=4 10981 B12R2.11 F[C@@H]1C[C@H]1Nc2ncccn2 27a_100025746932_100000211032 [0,0,0,1,0,1|2,0,0]=4 10982 B12R2.11 F[C@H]1C[C@H]1Nc2cccnn2 27a_100015190264_100016991348 [0,0,0,1,0,1|2,0,0]=4 10983 B12R2.11 F[C@H]1C[C@H]1Nc2ccncn2 27a_100015190264_100000703185 [0,0,0,1,0,1|2,0,0]=4 10984 B12R2.11 F[C@H]1C[C@H]1Nc2cnccn2 27a_100015190264_100000211759 [0,0,0,1,0,1|2,0,0]=4 10985 B12R2.11 F[C@H]1C[C@H]1Nc2ncccn2 27a_100015190264_100000211032 [0,0,0,1,0,1|2,0,0]=4 10986 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 10987 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 10988 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 10989 B12R2.22 CC1CN(C1)c2cccnn2 27a_100000702820_100016991348 [0,0,0,1,0,1|1,0,0]=3 10990 B12R2.22 CC1CN(C1)c2ccncn2 27a_100000702820_100000703185 [0,0,0,1,0,1|1,0,0]=3 10991 B12R2.22 CC1CN(C1)c2cnccn2 27a_100000702820_100000211759 [0,0,0,1,0,1|1,0,0]=3 10992 B12R2.22 CC1CN(C1)c2ncccn2 27a_100000702820_100000211032 [0,0,0,1,0,1|1,0,0]=3 10993 B12R2.22 FC1CN(C1)c2cccnn2 27a_100000690557_100016991348 [0,0,0,1,0,1|2,0,0]=4 10994 B12R2.22 FC1CN(C1)c2ccncn2 27a_100000690557_100000703185 [0,0,0,1,0,1|2,0,0]=4 10995 B12R2.22 FC1CN(C1)c2cnccn2 27a_100000690557_100000211759 [0,0,0,1,0,1|2,0,0]=4 10996 B12R2.22 FC1CN(C1)c2ncccn2 27a_100000690557_100000211032 [0,0,0,1,0,1|2,0,0]=4 10997 B12R2.22 OC1CN(C1)c2cccnn2 27a_100000749847_100016991348 [0,0,0,1,0,1|2,0,0]=4 10998 B12R2.22 OC1CN(C1)c2ccncn2 27a_100000749847_100000703185 [0,0,0,1,0,1|2,0,0]=4 10999 B12R2.22 OC1CN(C1)c2cnccn2 27a_100000749847_100000211759 [0,0,0,1,0,1|2,0,0]=4 11000 B12R2.22 OC1CN(C1)c2ncccn2 27a_100000749847_100000211032 [0,0,0,1,0,1|2,0,0]=4 11001 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,1|2,0,0]=4 11002 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,1|2,0,0]=4 11003 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,1|2,0,0]=4 11004 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,0,0,1,0,1|1,0,0]=3 11005 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,0,0,1,0,1|1,0,0]=3 11006 B12R2.24 CN1CCc2ncncc2C1 2230a_100012000121_200000210301 [0,0,0,1,0,1|2,0,0]=4 11007 B12R2.24 CN1CCc2ncncc2C1 269982a_100012000121_200000210301 [0,0,0,1,0,1|2,0,0]=4 11008 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,1|2,0,0]=4 11009 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,1|2,0,0]=4 11010 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,1|2,0,0]=4 11011 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,0,0,1,0,1|1,0,0]=3 11012 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,0,0,1,0,1|1,0,0]=3 11013 B12R2.24 [13CH3]N1CCc2ncncc2C1 2230a_100012000121_200025704644 [0,0,0,1,0,1|2,0,0]=4 11014 B12R2.24 [13CH3]N1CCc2ncncc2C1 269982a_100012000121_200025704644 [0,0,0,1,0,1|2,0,0]=4 11015 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [0,0,0,1,0,1|1,0,1]=4 11016 B12R2.2057 C(#CC1CC1)c2ccccn2 271570a_200009880635_100011216584 [0,0,0,1,0,1|0,0,1]=3 11017 B12R2.2057 C(#CC1CC1)c2cccnn2 271570a_200009880635_100016991348 [0,0,0,1,0,1|1,0,1]=4 11018 B12R2.2057 C(#CC1CC1)c2ccncn2 271570a_200009880635_100000703185 [0,0,0,1,0,1|1,0,1]=4 11019 B12R2.2057 C(#CC1CC1)c2cnccn2 271570a_200009880635_100000758340 [0,0,0,1,0,1|1,0,1]=4 11020 B12R2.2057 C(#CC1CC1)c2ncccn2 271570a_200009880635_100000211032 [0,0,0,1,0,1|1,0,1]=4 11021 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,0,0,1,0,1|1,0,1]=4 11022 B12R2.2057 C(=CC1CC1)c2ccccn2 271570a_100102526188_100011216584 [0,0,0,1,0,1|0,0,1]=3 11023 B12R2.2057 C(=CC1CC1)c2cccnn2 271570a_100102526188_100016991348 [0,0,0,1,0,1|1,0,1]=4 11024 B12R2.2057 C(=CC1CC1)c2ccncn2 271570a_100102526188_100000703185 [0,0,0,1,0,1|1,0,1]=4 11025 B12R2.2057 C(=CC1CC1)c2cnccn2 271570a_100102526188_100000758340 [0,0,0,1,0,1|1,0,1]=4 11026 B12R2.2057 C(=CC1CC1)c2ncccn2 271570a_100102526188_100000211032 [0,0,0,1,0,1|1,0,1]=4 11027 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [0,0,0,1,0,1|2,0,0]=4 11028 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [0,0,0,1,0,1|2,0,0]=4 11029 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000728582_100000742324 [0,0,0,1,0,1|2,0,0]=4 11030 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000756562_100000728582 [0,0,0,1,0,1|2,0,0]=4 11031 B12R2.2057 c1cc(ncn1)NCC2CC2 27a_100000735609_100000703185 [0,0,0,1,0,1|1,0,0]=3 11032 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000703185_100000742324 [0,0,0,1,0,1|1,0,0]=3 11033 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000756562_100000703185 [0,0,0,1,0,1|1,0,0]=3 11034 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_100000703185_102125554688 [0,0,0,1,0,1|2,0,0]=4 11035 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_102125554688_100000703185 [0,0,0,1,0,1|2,0,0]=4 11036 B12R2.2057 c1cc(ncn1)SCC2CS2 62a_100000031435_100000703185 [0,0,0,1,0,1|2,0,0]=4 11037 B12R2.2057 c1cc(ncn1)SCC2CS2 62a_100000703185_100000031435 [0,0,0,1,0,1|2,0,0]=4 11038 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000703185_100000745022 [0,0,0,1,0,1|2,0,0]=4 11039 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000745022_100000703185 [0,0,0,1,0,1|2,0,0]=4 11040 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,0,1,0,1|1,0,0]=3 11041 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,0,1,0,1|1,0,0]=3 11042 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,1,0,1|1,0,0]=3 11043 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,0,1,0,1|1,0,0]=3 11044 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,0,0,1,0,1|1,0,0]=3 11045 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,0,0,1,0,1|2,0,0]=4 11046 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,1,0,1|1,0,0]=3 11047 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,1,0,1|1,0,0]=3 11048 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,0,0,1,0,1|2,0,0]=4 11049 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,0,0,1,0,1|2,0,0]=4 11050 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,0,0,1,0,1|2,0,0]=4 11051 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,0,0,1,0,1|2,0,0]=4 11052 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,0,0,1,0,1|1,0,0]=3 11053 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,0,0,1,0,1|1,0,0]=3 11054 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,0,0,1,0,1|2,0,0]=4 11055 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,0,0,1,0,1|2,0,0]=4 11056 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,0,0,1,0,1|2,0,0]=4 11057 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,0,0,1,0,1|2,0,0]=4 11058 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,0,0,1,0,1|2,0,0]=4 11059 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,0,0,1,0,1|2,0,0]=4 11060 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,0,1,0,1|0,0,0]=2 11061 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,0,0,1,0,1|0,0,0]=2 11062 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,0,0,1,0,1|0,0,0]=2 11063 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,0,0,1,0,1|0,0,0]=2 11064 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,0,0,1,0,1|1,0,0]=3 11065 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,0,0,1,0,1|1,0,0]=3 11066 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100000031435_100011216584 [0,0,0,1,0,1|1,0,0]=3 11067 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100011216584_100000031435 [0,0,0,1,0,1|1,0,0]=3 11068 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,0,0,1,0,1|1,0,0]=3 11069 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,0,0,1,0,1|1,0,0]=3 11070 B12R2.2057 c1cnc(cn1)CNC2CC2 34a_100000212008_100016995436 [0,0,0,1,0,1|1,0,0]=3 11071 B12R2.2057 c1cnc(cn1)CSC2CC2 62a_100016995436_100000211595 [0,0,0,1,0,1|1,0,0]=3 11072 B12R2.2057 c1cnc(cn1)NCC2CC2 27a_100000735609_100000211759 [0,0,0,1,0,1|1,0,0]=3 11073 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000211759_100000742324 [0,0,0,1,0,1|1,0,0]=3 11074 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000756562_100000211759 [0,0,0,1,0,1|1,0,0]=3 11075 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_100000211759_102125554688 [0,0,0,1,0,1|2,0,0]=4 11076 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_102125554688_100000211759 [0,0,0,1,0,1|2,0,0]=4 11077 B12R2.2057 c1cnc(cn1)SCC2CS2 62a_100000031435_100000211759 [0,0,0,1,0,1|2,0,0]=4 11078 B12R2.2057 c1cnc(cn1)SCC2CS2 62a_100000211759_100000031435 [0,0,0,1,0,1|2,0,0]=4 11079 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000211759_100000745022 [0,0,0,1,0,1|2,0,0]=4 11080 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000745022_100000211759 [0,0,0,1,0,1|2,0,0]=4 11081 B12R2.2057 c1cnc(nc1)CNC2CC2 34a_100000212008_100000703007 [0,0,0,1,0,1|1,0,0]=3 11082 B12R2.2057 c1cnc(nc1)CSC2CC2 62a_100000703007_100000211595 [0,0,0,1,0,1|1,0,0]=3 11083 B12R2.2057 c1cnc(nc1)NCC2CC2 27a_100000735609_100000211032 [0,0,0,1,0,1|1,0,0]=3 11084 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000211032_100000742324 [0,0,0,1,0,1|1,0,0]=3 11085 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000756562_100000211032 [0,0,0,1,0,1|1,0,0]=3 11086 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_100000211032_102125554688 [0,0,0,1,0,1|2,0,0]=4 11087 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_102125554688_100000211032 [0,0,0,1,0,1|2,0,0]=4 11088 B12R2.2057 c1cnc(nc1)SCC2CS2 62a_100000031435_100000211032 [0,0,0,1,0,1|2,0,0]=4 11089 B12R2.2057 c1cnc(nc1)SCC2CS2 62a_100000211032_100000031435 [0,0,0,1,0,1|2,0,0]=4 11090 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000211032_100000745022 [0,0,0,1,0,1|2,0,0]=4 11091 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000745022_100000211032 [0,0,0,1,0,1|2,0,0]=4 11092 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,0,0,1,0,1|2,0,0]=4 11093 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,0,0,1,0,1|2,0,0]=4 11094 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,0,0,1,0,1|2,0,0]=4 11095 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,0,0,1,0,1|2,0,0]=4 11096 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [0,0,0,1,0,1|2,0,0]=4 11097 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [0,0,0,1,0,1|2,0,0]=4 11098 B12R2.2057 c1cnnc(c1)CNC2CC2 34a_100000212008_100016990269 [0,0,0,1,0,1|1,0,0]=3 11099 B12R2.2057 c1cnnc(c1)CSC2CC2 62a_100016990269_100000211595 [0,0,0,1,0,1|1,0,0]=3 11100 B12R2.2057 c1cnnc(c1)NCC2CC2 27a_100000735609_100016991348 [0,0,0,1,0,1|1,0,0]=3 11101 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100000756562_100016991348 [0,0,0,1,0,1|1,0,0]=3 11102 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100016991348_100000742324 [0,0,0,1,0,1|1,0,0]=3 11103 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_100016991348_102125554688 [0,0,0,1,0,1|2,0,0]=4 11104 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_102125554688_100016991348 [0,0,0,1,0,1|2,0,0]=4 11105 B12R2.2057 c1cnnc(c1)SCC2CS2 62a_100000031435_100016991348 [0,0,0,1,0,1|2,0,0]=4 11106 B12R2.2057 c1cnnc(c1)SCC2CS2 62a_100016991348_100000031435 [0,0,0,1,0,1|2,0,0]=4 11107 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_100016991348 [0,0,0,1,0,1|2,0,0]=4 11108 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100016991348_100000745022 [0,0,0,1,0,1|2,0,0]=4 11109 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,0,0,1,0,1|2,0,0]=4 11110 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,1,0,1,0,0|2,0,0]=4 11111 B12R2.294 Brc1ccc(cc1)NC2CC2 34a_100000210018_100000211595 [0,1,0,1,0,0|2,0,0]=4 11112 B12R2.294 Brc1ccc(cc1)OC2CC2 34a_100000185759_100000211595 [0,1,0,1,0,0|2,0,0]=4 11113 B12R2.294 Brc1ccc(cc1)SC2CC2 62a_100000752885_100000211595 [0,1,0,1,0,0|2,0,0]=4 11114 B12R2.294 Brc1ccc(nc1)NC2CC2 27a_100000212008_100000686858 [0,1,0,1,0,0|1,0,0]=3 11115 B12R2.294 Brc1ccc(nc1)SC2CC2 62a_100000686858_100000211595 [0,1,0,1,0,0|1,0,0]=3 11116 B12R2.294 Brc1cnc(cn1)NC2CC2 27a_100000212008_100010187541 [0,1,0,1,0,0|2,0,0]=4 11117 B12R2.294 Brc1cnc(cn1)OC2CC2 34a_100011934580_100000211595 [0,1,0,1,0,0|2,0,0]=4 11118 B12R2.294 Brc1cnc(cn1)SC2CC2 62a_100010187541_100000211595 [0,1,0,1,0,0|2,0,0]=4 11119 B12R2.294 Brc1cnc(nc1)NC2CC2 27a_100000212008_100000690281 [0,1,0,1,0,0|2,0,0]=4 11120 B12R2.294 Brc1cnc(nc1)SC2CC2 62a_100000690281_100000211595 [0,1,0,1,0,0|2,0,0]=4 11121 B12R2.294 Cc1ccc(cc1)NC2CC2 34a_100000124888_100000211595 [0,1,0,1,0,0|2,0,0]=4 11122 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,1,0,1,0,0|2,0,0]=4 11123 B12R2.294 Cc1ccc(cc1)SC2CC2 62a_100000186775_100000211595 [0,1,0,1,0,0|2,0,0]=4 11124 B12R2.294 Cc1ccc(nc1)OC2CC2 34a_100000759353_100000211595 [0,1,0,1,0,0|1,0,0]=3 11125 B12R2.294 Cc1ccc(nc1)SC2CC2 62a_100011192072_100000211595 [0,1,0,1,0,0|1,0,0]=3 11126 B12R2.294 Cc1ccc(nn1)NC2CC2 27a_100000212008_100000744512 [0,1,0,1,0,0|2,0,0]=4 11127 B12R2.294 Cc1ccc(nn1)SC2CC2 62a_100000744512_100000211595 [0,1,0,1,0,0|2,0,0]=4 11128 B12R2.294 Cc1cnc(cn1)NC2CC2 27a_100000212008_100000074397 [0,1,0,1,0,0|2,0,0]=4 11129 B12R2.294 Cc1cnc(cn1)SC2CC2 62a_100011999403_100000211595 [0,1,0,1,0,0|2,0,0]=4 11130 B12R2.294 Cc1cnc(nc1)NC2CC2 27a_100000212008_100000061069 [0,1,0,1,0,0|2,0,0]=4 11131 B12R2.294 Cc1cnc(nc1)SC2CC2 62a_100000061069_100000211595 [0,1,0,1,0,0|2,0,0]=4 11132 B12R2.294 Clc1ccc(cc1)NC2CC2 34a_100000210052_100000211595 [0,1,0,1,0,0|2,0,0]=4 11133 B12R2.294 Clc1ccc(cc1)OC2CC2 34a_100000210216_100000211595 [0,1,0,1,0,0|2,0,0]=4 11134 B12R2.294 Clc1ccc(cc1)SC2CC2 62a_100000755918_100000211595 [0,1,0,1,0,0|2,0,0]=4 11135 B12R2.294 Clc1ccc(nc1)OC2CC2 34a_100011215309_100000211595 [0,1,0,1,0,0|1,0,0]=3 11136 B12R2.294 Clc1ccc(nc1)SC2CC2 62a_100011356976_100000211595 [0,1,0,1,0,0|1,0,0]=3 11137 B12R2.294 Clc1ccc(nn1)SC2CC2 62a_100000068654_100000211595 [0,1,0,1,0,0|2,0,0]=4 11138 B12R2.294 Clc1cnc(cn1)OC2CC2 34a_100015839800_100000211595 [0,1,0,1,0,0|2,0,0]=4 11139 B12R2.294 Clc1cnc(cn1)SC2CC2 62a_100010214907_100000211595 [0,1,0,1,0,0|2,0,0]=4 11140 B12R2.294 Clc1cnc(nc1)NC2CC2 27a_100000212008_100011356929 [0,1,0,1,0,0|2,0,0]=4 11141 B12R2.294 Clc1cnc(nc1)SC2CC2 62a_100011356929_100000211595 [0,1,0,1,0,0|2,0,0]=4 11142 B12R2.294 Fc1ccc(cc1)NC2CC2 34a_100000185862_100000211595 [0,1,0,1,0,0|2,0,0]=4 11143 B12R2.294 Fc1ccc(cc1)OC2CC2 34a_100000210339_100000211595 [0,1,0,1,0,0|2,0,0]=4 11144 B12R2.294 Fc1ccc(cc1)SC2CC2 62a_100000211213_100000211595 [0,1,0,1,0,0|2,0,0]=4 11145 B12R2.294 Fc1ccc(nc1)OC2CC2 34a_100000742473_100000211595 [0,1,0,1,0,0|1,0,0]=3 11146 B12R2.294 Fc1ccc(nc1)SC2CC2 62a_100000744514_100000211595 [0,1,0,1,0,0|1,0,0]=3 11147 B12R2.294 Fc1cnc(cn1)NC2CC2 27a_100000212008_100009856528 [0,1,0,1,0,0|2,0,0]=4 11148 B12R2.294 Fc1cnc(cn1)SC2CC2 62a_100009856528_100000211595 [0,1,0,1,0,0|2,0,0]=4 11149 B12R2.294 Fc1cnc(nc1)NC2CC2 27a_100000212008_100000685220 [0,1,0,1,0,0|2,0,0]=4 11150 B12R2.294 Fc1cnc(nc1)OC2CC2 34a_100011934040_100000211595 [0,1,0,1,0,0|2,0,0]=4 11151 B12R2.294 Fc1cnc(nc1)SC2CC2 62a_100000685220_100000211595 [0,1,0,1,0,0|2,0,0]=4 11152 B12R2.294 Ic1ccc(cc1)NC2CC2 34a_100000185761_100000211595 [0,1,0,1,0,0|2,0,0]=4 11153 B12R2.294 Ic1ccc(cc1)OC2CC2 34a_100000212066_100000211595 [0,1,0,1,0,0|2,0,0]=4 11154 B12R2.294 Nc1ccc(cc1)OC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|2,0,0]=4 11155 B12R2.294 Nc1ccc(cc1)SC2CC2 62a_100000185761_100000211595 [0,1,0,1,0,0|2,0,0]=4 11156 B12R2.294 Nc1ccc(nc1)OC2CC2 34a_100000729260_100000211595 [0,1,0,1,0,0|1,0,0]=3 11157 B12R2.294 Nc1ccc(nc1)SC2CC2 62a_100000737798_100000211595 [0,1,0,1,0,0|1,0,0]=3 11158 B12R2.294 Nc1ccc(nn1)SC2CC2 62a_100010219413_100000211595 [0,1,0,1,0,0|2,0,0]=4 11159 B12R2.294 Nc1cnc(cn1)SC2CC2 62a_100000744751_100000211595 [0,1,0,1,0,0|2,0,0]=4 11160 B12R2.294 Nc1cnc(nc1)SC2CC2 62a_100000068403_100000211595 [0,1,0,1,0,0|2,0,0]=4 11161 B12R2.294 O=c1ccc(n[nH]1)SC2CC2 62a_100009820020_100000211595 [0,1,0,1,0,0|2,0,0]=4 11162 B12R2.294 Oc1ccc(cc1)NC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|2,0,0]=4 11163 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,1,0,1,0,0|2,0,0]=4 11164 B12R2.294 Oc1ccc(nc1)NC2CC2 271570a_203496583355_100011242975 [0,1,0,1,0,0|1,0,0]=3 11165 B12R2.294 Oc1ccc(nc1)SC2CC2 62a_100000685995_100000211595 [0,1,0,1,0,0|1,0,0]=3 11166 B12R2.294 Oc1ccc(nn1)NC2CC2 271570a_203496583355_200000215242 [0,1,0,1,0,0|2,0,0]=4 11167 B12R2.294 Oc1cnc(cn1)SC2CC2 62a_100011934580_100000211595 [0,1,0,1,0,0|2,0,0]=4 11168 B12R2.294 Oc1cnc(nc1)NC2CC2 271570a_203496583355_100011938759 [0,1,0,1,0,0|2,0,0]=4 11169 B12R2.294 Oc1cnc(nc1)SC2CC2 62a_100000730009_100000211595 [0,1,0,1,0,0|2,0,0]=4 11170 B12R2.606 CN1Cc2ccc(cc2C1)Br 2230a_100000702344_200000210301 [0,1,0,1,0,0|2,0,0]=4 11171 B12R2.606 CN1Cc2ccc(cc2C1)Br 269982a_100000702344_200000210301 [0,1,0,1,0,0|2,0,0]=4 11172 B12R2.606 CN1Cc2ccc(cc2C1)Br 34a_100000702344_200000210301 [0,1,0,1,0,0|2,0,0]=4 11173 B12R2.606 CN1Cc2ccc(cc2C1)Cl 2230a_100015205306_200000210301 [0,1,0,1,0,0|2,0,0]=4 11174 B12R2.606 CN1Cc2ccc(cc2C1)Cl 269982a_100015205306_200000210301 [0,1,0,1,0,0|2,0,0]=4 11175 B12R2.606 CN1Cc2ccc(cc2C1)Cl 34a_100015205306_200000210301 [0,1,0,1,0,0|2,0,0]=4 11176 B12R2.606 CN1Cc2ccc(cc2C1)F 2230a_100000766377_200000210301 [0,1,0,1,0,0|2,0,0]=4 11177 B12R2.606 CN1Cc2ccc(cc2C1)F 269982a_100000766377_200000210301 [0,1,0,1,0,0|2,0,0]=4 11178 B12R2.606 CN1Cc2ccc(cc2C1)F 34a_100000766377_200000210301 [0,1,0,1,0,0|2,0,0]=4 11179 B12R2.606 CN1Cc2ccc(cc2C1)O 2230a_100015195982_200000210301 [0,1,0,1,0,0|2,0,0]=4 11180 B12R2.606 CN1Cc2ccc(cc2C1)O 269982a_100015195982_200000210301 [0,1,0,1,0,0|2,0,0]=4 11181 B12R2.606 CN1Cc2ccc(cc2C1)O 34a_100015195982_200000210301 [0,1,0,1,0,0|2,0,0]=4 11182 B12R2.606 CN1Cc2ccc(nc2C1)Cl 2230a_100016995040_200000210301 [0,1,0,1,0,0|1,0,0]=3 11183 B12R2.606 CN1Cc2ccc(nc2C1)Cl 269982a_100016995040_200000210301 [0,1,0,1,0,0|1,0,0]=3 11184 B12R2.606 Cc1ncc2c(n1)CN(C2)C 269982a_100020633798_200000210301 [0,1,0,1,0,0|2,0,0]=4 11185 B12R2.606 Cc1ncc2c(n1)CN(C2)[13CH3] 269982a_100020633798_200025704644 [0,1,0,1,0,0|2,0,0]=4 11186 B12R2.606 NC1Cc2ccc(cc2C1)O 271570a_203496583355_100015193702 [0,1,0,1,0,0|2,0,0]=4 11187 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [0,1,0,1,0,0|2,0,0]=4 11188 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)Br 2230a_100000702344_200025704644 [0,1,0,1,0,0|2,0,0]=4 11189 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)Br 269982a_100000702344_200025704644 [0,1,0,1,0,0|2,0,0]=4 11190 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)Br 34a_100000702344_200025704644 [0,1,0,1,0,0|2,0,0]=4 11191 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)Cl 2230a_100015205306_200025704644 [0,1,0,1,0,0|2,0,0]=4 11192 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)Cl 269982a_100015205306_200025704644 [0,1,0,1,0,0|2,0,0]=4 11193 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)Cl 34a_100015205306_200025704644 [0,1,0,1,0,0|2,0,0]=4 11194 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)F 2230a_100000766377_200025704644 [0,1,0,1,0,0|2,0,0]=4 11195 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)F 269982a_100000766377_200025704644 [0,1,0,1,0,0|2,0,0]=4 11196 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)F 34a_100000766377_200025704644 [0,1,0,1,0,0|2,0,0]=4 11197 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 2230a_100015195982_200025704644 [0,1,0,1,0,0|2,0,0]=4 11198 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 269982a_100015195982_200025704644 [0,1,0,1,0,0|2,0,0]=4 11199 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 34a_100015195982_200025704644 [0,1,0,1,0,0|2,0,0]=4 11200 B12R2.606 [13CH3]N1Cc2ccc(nc2C1)Cl 2230a_100016995040_200025704644 [0,1,0,1,0,0|1,0,0]=3 11201 B12R2.606 [13CH3]N1Cc2ccc(nc2C1)Cl 269982a_100016995040_200025704644 [0,1,0,1,0,0|1,0,0]=3 11202 B12R2.23 CC1CCN1c2cccnn2 27a_100000755817_100016991348 [0,1,0,1,0,0|2,0,0]=4 11203 B12R2.23 CC1CCN1c2ccncn2 27a_100000755817_100000703185 [0,1,0,1,0,0|2,0,0]=4 11204 B12R2.23 CC1CCN1c2cnccn2 27a_100000755817_100000211759 [0,1,0,1,0,0|2,0,0]=4 11205 B12R2.23 CC1CCN1c2ncccn2 27a_100000755817_100000211032 [0,1,0,1,0,0|2,0,0]=4 11206 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,1,0,1,0,0|2,0,0]=4 11207 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,1,0,1,0,0|2,0,0]=4 11208 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,1,0,1,0,0|2,0,0]=4 11209 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,1,0,1,0,0|2,0,0]=4 11210 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,1,0,1,0,0|1,0,1]=4 11211 B12R2.2075 C=C(c1ccccn1)C2CC2 271570a_100010895485_100011216584 [0,1,0,1,0,0|0,0,1]=3 11212 B12R2.2075 C=C(c1cccnn1)C2CC2 271570a_100010895485_100016991348 [0,1,0,1,0,0|1,0,1]=4 11213 B12R2.2075 C=C(c1ccncn1)C2CC2 271570a_100010895485_100000703185 [0,1,0,1,0,0|1,0,1]=4 11214 B12R2.2075 C=C(c1cnccn1)C2CC2 271570a_100010895485_100000758340 [0,1,0,1,0,0|1,0,1]=4 11215 B12R2.2075 C=C(c1ncccn1)C2CC2 271570a_100010895485_100000211032 [0,1,0,1,0,0|1,0,1]=4 11216 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [0,1,0,1,0,0|2,0,0]=4 11217 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [0,1,0,1,0,0|2,0,0]=4 11218 B12R2.2075 CN(c1cccnn1)C2CC2 27a_100000226674_100016991348 [0,1,0,1,0,0|2,0,0]=4 11219 B12R2.2075 CN(c1ccncn1)C2CC2 27a_100000226674_100000703185 [0,1,0,1,0,0|2,0,0]=4 11220 B12R2.2075 CN(c1cnccn1)C2CC2 27a_100000226674_100000211759 [0,1,0,1,0,0|2,0,0]=4 11221 B12R2.2075 CN(c1ncccn1)C2CC2 27a_100000226674_100000211032 [0,1,0,1,0,0|2,0,0]=4 11222 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 11223 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 11224 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 11225 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 11226 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [0,1,0,1,0,0|2,0,0]=4 11227 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [0,1,0,1,0,0|2,0,0]=4 11228 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [0,1,0,1,0,0|2,0,0]=4 11229 B12R2.32 CCN1Cc2cccnc2C1 269982a_100000726175_100000204670 [0,1,0,1,0,0|1,0,0]=3 11230 B12R2.32 CCN1Cc2cncnc2C1 269982a_100015200256_100000204670 [0,1,0,1,0,0|2,0,0]=4 11231 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,1,0,1,0,0|1,0,0]=3 11232 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,1,0,1,0,0|1,0,0]=3 11233 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,1,0,1,0,0|1,0,0]=3 11234 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,1,0,1,0,0|1,0,0]=3 11235 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,1,0,1,0,0|1,0,0]=3 11236 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,1,0,1,0,0|1,0,0]=3 11237 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,1,0,1,0,0|1,0,0]=3 11238 B12R2.32 FCN1Cc2ccccc2C1 269982a_100000752595_100015361967 [0,1,0,1,0,0|2,0,0]=4 11239 B12R2.32 FCN1Cc2ccccc2C1 34a_100000752595_100015361967 [0,1,0,1,0,0|2,0,0]=4 11240 B12R2.32 FCN1Cc2cccnc2C1 269982a_100000726175_100015361967 [0,1,0,1,0,0|1,0,0]=3 11241 B12R2.32 FCN1Cc2cncnc2C1 269982a_100015200256_100015361967 [0,1,0,1,0,0|2,0,0]=4 11242 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,1,0,1,0,0|1,0,0]=3 11243 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,1,0,1,0,0|1,0,0]=3 11244 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,1,0,1,0,0|1,0,0]=3 11245 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,1,0,1,0,0|1,0,0]=3 11246 B12R2.94 CC1(CC1)Nc2cccnn2 27a_100000757604_100016991348 [0,1,0,1,0,0|2,0,0]=4 11247 B12R2.94 CC1(CC1)Nc2ccncn2 27a_100000757604_100000703185 [0,1,0,1,0,0|2,0,0]=4 11248 B12R2.94 CC1(CC1)Nc2cnccn2 27a_100000757604_100000211759 [0,1,0,1,0,0|2,0,0]=4 11249 B12R2.94 CC1(CC1)Nc2ncccn2 27a_100000757604_100000211032 [0,1,0,1,0,0|2,0,0]=4 11250 B12R2.2058 c1cc(ncn1)NC2CCC2 27a_100000749019_100000703185 [0,1,0,1,0,0|2,0,0]=4 11251 B12R2.2058 c1cc(ncn1)NC2COC2 27a_100016991112_100000703185 [0,1,0,1,0,0|2,0,0]=4 11252 B12R2.2058 c1cc(ncn1)NC2CSC2 27a_100016994217_100000703185 [0,1,0,1,0,0|2,0,0]=4 11253 B12R2.2058 c1cc(ncn1)SC2CCC2 62a_100000703185_100000749161 [0,1,0,1,0,0|2,0,0]=4 11254 B12R2.2058 c1cc(ncn1)SC2COC2 62a_100000703185_100009818527 [0,1,0,1,0,0|2,0,0]=4 11255 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,1,0,1,0,0|2,0,0]=4 11256 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,1,0,1,0,0|2,0,0]=4 11257 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,1,0,1,0,0|2,0,0]=4 11258 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|2,0,0]=4 11259 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|2,0,0]=4 11260 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|2,0,0]=4 11261 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,1,0,1,0,0|2,0,0]=4 11262 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,1,0,1,0,0|2,0,0]=4 11263 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,1,0,1,0,0|1,0,0]=3 11264 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,1,0,1,0,0|1,0,0]=3 11265 B12R2.2058 c1ccc(nc1)SC2COC2 62a_100011216584_100009818527 [0,1,0,1,0,0|1,0,0]=3 11266 B12R2.2058 c1cnc(cn1)CN2CCC2 269982a_100000754969_100016995436 [0,1,0,1,0,0|2,0,0]=4 11267 B12R2.2058 c1cnc(cn1)NC2CCC2 27a_100000749019_100000211759 [0,1,0,1,0,0|2,0,0]=4 11268 B12R2.2058 c1cnc(cn1)NC2COC2 27a_100016991112_100000211759 [0,1,0,1,0,0|2,0,0]=4 11269 B12R2.2058 c1cnc(cn1)NC2CSC2 27a_100016994217_100000211759 [0,1,0,1,0,0|2,0,0]=4 11270 B12R2.2058 c1cnc(cn1)SC2CCC2 62a_100000211759_100000749161 [0,1,0,1,0,0|2,0,0]=4 11271 B12R2.2058 c1cnc(cn1)SC2COC2 62a_100000211759_100009818527 [0,1,0,1,0,0|2,0,0]=4 11272 B12R2.2058 c1cnc(nc1)CN2CCC2 269982a_100000754969_100000703007 [0,1,0,1,0,0|2,0,0]=4 11273 B12R2.2058 c1cnc(nc1)NC2CCC2 27a_100000749019_100000211032 [0,1,0,1,0,0|2,0,0]=4 11274 B12R2.2058 c1cnc(nc1)NC2COC2 27a_100016991112_100000211032 [0,1,0,1,0,0|2,0,0]=4 11275 B12R2.2058 c1cnc(nc1)NC2CSC2 27a_100016994217_100000211032 [0,1,0,1,0,0|2,0,0]=4 11276 B12R2.2058 c1cnc(nc1)SC2CCC2 62a_100000211032_100000749161 [0,1,0,1,0,0|2,0,0]=4 11277 B12R2.2058 c1cnc(nc1)SC2COC2 62a_100000211032_100009818527 [0,1,0,1,0,0|2,0,0]=4 11278 B12R2.2058 c1cnnc(c1)NC2CCC2 27a_100000749019_100016991348 [0,1,0,1,0,0|2,0,0]=4 11279 B12R2.2058 c1cnnc(c1)NC2COC2 27a_100016991112_100016991348 [0,1,0,1,0,0|2,0,0]=4 11280 B12R2.2058 c1cnnc(c1)NC2CSC2 27a_100016994217_100016991348 [0,1,0,1,0,0|2,0,0]=4 11281 B12R2.2058 c1cnnc(c1)SC2CCC2 62a_100016991348_100000749161 [0,1,0,1,0,0|2,0,0]=4 11282 B12R2.2058 c1cnnc(c1)SC2COC2 62a_100016991348_100009818527 [0,1,0,1,0,0|2,0,0]=4 11283 B12R2.202 CN1Cc2cccc(c2C1)Br 2230a_100000703859_200000210301 [0,1,0,1,0,0|2,0,0]=4 11284 B12R2.202 CN1Cc2cccc(c2C1)Br 269982a_100000703859_200000210301 [0,1,0,1,0,0|2,0,0]=4 11285 B12R2.202 CN1Cc2cccc(c2C1)Br 34a_100000703859_200000210301 [0,1,0,1,0,0|2,0,0]=4 11286 B12R2.202 CN1Cc2cccc(c2C1)Cl 2230a_100000731892_200000210301 [0,1,0,1,0,0|2,0,0]=4 11287 B12R2.202 CN1Cc2cccc(c2C1)Cl 269982a_100000731892_200000210301 [0,1,0,1,0,0|2,0,0]=4 11288 B12R2.202 CN1Cc2cccc(c2C1)Cl 34a_100000731892_200000210301 [0,1,0,1,0,0|2,0,0]=4 11289 B12R2.202 CN1Cc2cccc(c2C1)F 269982a_100000051403_200000210301 [0,1,0,1,0,0|2,0,0]=4 11290 B12R2.202 CN1Cc2cccc(c2C1)F 34a_100000051403_200000210301 [0,1,0,1,0,0|2,0,0]=4 11291 B12R2.202 CN1Cc2cccc(c2C1)O 269982a_100015191671_200000210301 [0,1,0,1,0,0|2,0,0]=4 11292 B12R2.202 CN1Cc2cccc(c2C1)O 34a_100015191671_200000210301 [0,1,0,1,0,0|2,0,0]=4 11293 B12R2.202 Cc1cccc2c1CN(C2)C 2230a_100020635169_200000210301 [0,1,0,1,0,0|2,0,0]=4 11294 B12R2.202 Cc1cccc2c1CN(C2)C 269982a_100020635169_200000210301 [0,1,0,1,0,0|2,0,0]=4 11295 B12R2.202 Cc1cccc2c1CN(C2)C 34a_100020635169_200000210301 [0,1,0,1,0,0|2,0,0]=4 11296 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 2230a_100020635169_200025704644 [0,1,0,1,0,0|2,0,0]=4 11297 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 269982a_100020635169_200025704644 [0,1,0,1,0,0|2,0,0]=4 11298 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 34a_100020635169_200025704644 [0,1,0,1,0,0|2,0,0]=4 11299 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [0,1,0,1,0,0|2,0,0]=4 11300 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Br 2230a_100000703859_200025704644 [0,1,0,1,0,0|2,0,0]=4 11301 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Br 269982a_100000703859_200025704644 [0,1,0,1,0,0|2,0,0]=4 11302 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Br 34a_100000703859_200025704644 [0,1,0,1,0,0|2,0,0]=4 11303 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Cl 2230a_100000731892_200025704644 [0,1,0,1,0,0|2,0,0]=4 11304 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Cl 269982a_100000731892_200025704644 [0,1,0,1,0,0|2,0,0]=4 11305 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Cl 34a_100000731892_200025704644 [0,1,0,1,0,0|2,0,0]=4 11306 B12R2.202 [13CH3]N1Cc2cccc(c2C1)F 269982a_100000051403_200025704644 [0,1,0,1,0,0|2,0,0]=4 11307 B12R2.202 [13CH3]N1Cc2cccc(c2C1)F 34a_100000051403_200025704644 [0,1,0,1,0,0|2,0,0]=4 11308 B12R2.202 [13CH3]N1Cc2cccc(c2C1)O 269982a_100015191671_200025704644 [0,1,0,1,0,0|2,0,0]=4 11309 B12R2.202 [13CH3]N1Cc2cccc(c2C1)O 34a_100015191671_200025704644 [0,1,0,1,0,0|2,0,0]=4 11310 B12R2.225 Brc1ccccc1NC2CC2 34a_100000210017_100000211595 [0,1,0,1,0,0|2,0,0]=4 11311 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,1,0,1,0,0|2,0,0]=4 11312 B12R2.225 Brc1ccccc1SC2CC2 62a_100000695589_100000211595 [0,1,0,1,0,0|2,0,0]=4 11313 B12R2.225 Brc1cccnc1NC2CC2 27a_100000212008_100000696092 [0,1,0,1,0,0|1,0,0]=3 11314 B12R2.225 Brc1cccnc1SC2CC2 62a_100000696092_100000211595 [0,1,0,1,0,0|1,0,0]=3 11315 B12R2.225 Cc1ccccc1NC2CC2 34a_100015192222_100000211595 [0,1,0,1,0,0|2,0,0]=4 11316 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,1,0,1,0,0|2,0,0]=4 11317 B12R2.225 Cc1ccccc1SC2CC2 62a_100000210755_100000211595 [0,1,0,1,0,0|2,0,0]=4 11318 B12R2.225 Cc1cccnc1SC2CC2 62a_100000751373_100000211595 [0,1,0,1,0,0|1,0,0]=3 11319 B12R2.225 Cc1ccnnc1NC2CC2 27a_100000212008_100000089043 [0,1,0,1,0,0|2,0,0]=4 11320 B12R2.225 Cc1cncnc1NC2CC2 27a_100000212008_100011998708 [0,1,0,1,0,0|2,0,0]=4 11321 B12R2.225 Cc1cncnc1SC2CC2 62a_100011998708_100000211595 [0,1,0,1,0,0|2,0,0]=4 11322 B12R2.225 Cc1nccnc1NC2CC2 27a_100000212008_100011999405 [0,1,0,1,0,0|2,0,0]=4 11323 B12R2.225 Cc1nccnc1OC2CC2 34a_100000766352_100000211595 [0,1,0,1,0,0|2,0,0]=4 11324 B12R2.225 Cc1nccnc1SC2CC2 62a_100011999405_100000211595 [0,1,0,1,0,0|2,0,0]=4 11325 B12R2.225 Clc1ccccc1NC2CC2 34a_100000185783_100000211595 [0,1,0,1,0,0|2,0,0]=4 11326 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,1,0,1,0,0|2,0,0]=4 11327 B12R2.225 Clc1ccccc1SC2CC2 62a_100000764095_100000211595 [0,1,0,1,0,0|2,0,0]=4 11328 B12R2.225 Clc1cccnc1OC2CC2 34a_100011290957_100000211595 [0,1,0,1,0,0|1,0,0]=3 11329 B12R2.225 Clc1cccnc1SC2CC2 62a_100011356963_100000211595 [0,1,0,1,0,0|1,0,0]=3 11330 B12R2.225 Clc1nccnc1SC2CC2 62a_100010886584_100000211595 [0,1,0,1,0,0|2,0,0]=4 11331 B12R2.225 Fc1ccccc1NC2CC2 34a_100000210422_100000211595 [0,1,0,1,0,0|2,0,0]=4 11332 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,1,0,1,0,0|2,0,0]=4 11333 B12R2.225 Fc1ccccc1SC2CC2 62a_100011215700_100000211595 [0,1,0,1,0,0|2,0,0]=4 11334 B12R2.225 Fc1cccnc1OC2CC2 34a_100011219419_100000211595 [0,1,0,1,0,0|1,0,0]=3 11335 B12R2.225 Fc1cccnc1SC2CC2 62a_100000685392_100000211595 [0,1,0,1,0,0|1,0,0]=3 11336 B12R2.225 Fc1cncnc1NC2CC2 27a_100000212008_100000069762 [0,1,0,1,0,0|2,0,0]=4 11337 B12R2.225 Fc1cncnc1SC2CC2 62a_100000069762_100000211595 [0,1,0,1,0,0|2,0,0]=4 11338 B12R2.225 Fc1nccnc1NC2CC2 27a_100000212008_200010125657 [0,1,0,1,0,0|2,0,0]=4 11339 B12R2.225 Fc1nccnc1SC2CC2 62a_200010125657_100000211595 [0,1,0,1,0,0|2,0,0]=4 11340 B12R2.225 Ic1ccccc1NC2CC2 34a_100000210053_100000211595 [0,1,0,1,0,0|2,0,0]=4 11341 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,1,0,1,0,0|2,0,0]=4 11342 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|2,0,0]=4 11343 B12R2.225 Nc1ccccc1SC2CC2 62a_100000210017_100000211595 [0,1,0,1,0,0|2,0,0]=4 11344 B12R2.225 Nc1cccnc1OC2CC2 34a_100000746358_100000211595 [0,1,0,1,0,0|1,0,0]=3 11345 B12R2.225 Nc1cccnc1SC2CC2 62a_100000688686_100000211595 [0,1,0,1,0,0|1,0,0]=3 11346 B12R2.225 Nc1cncnc1NC2CC2 27a_100000212008_100000709731 [0,1,0,1,0,0|2,0,0]=4 11347 B12R2.225 Nc1cncnc1SC2CC2 62a_100000709731_100000211595 [0,1,0,1,0,0|2,0,0]=4 11348 B12R2.225 Nc1nccnc1SC2CC2 62a_100000747729_100000211595 [0,1,0,1,0,0|2,0,0]=4 11349 B12R2.225 Oc1ccccc1NC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|2,0,0]=4 11350 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,1,0,1,0,0|2,0,0]=4 11351 B12R2.225 Oc1ccccc1SC2CC2 62a_100000739446_100000211595 [0,1,0,1,0,0|2,0,0]=4 11352 B12R2.225 Oc1cccnc1SC2CC2 62a_100000034122_100000211595 [0,1,0,1,0,0|1,0,0]=3 11353 B12R2.1286 Brc1cccc(c1)NC2CC2 34a_100000210019_100000211595 [0,1,0,1,0,0|2,0,0]=4 11354 B12R2.1286 Brc1cccc(c1)OC2CC2 34a_100000210342_100000211595 [0,1,0,1,0,0|2,0,0]=4 11355 B12R2.1286 Brc1cccc(c1)SC2CC2 62a_100000691529_100000211595 [0,1,0,1,0,0|2,0,0]=4 11356 B12R2.1286 Brc1cccc(n1)SC2CC2 62a_100000684672_100000211595 [0,1,0,1,0,0|1,0,0]=3 11357 B12R2.1286 Cc1cc(ncn1)NC2CC2 27a_100000212008_100000744208 [0,1,0,1,0,0|2,0,0]=4 11358 B12R2.1286 Cc1cc(ncn1)SC2CC2 62a_100000744208_100000211595 [0,1,0,1,0,0|2,0,0]=4 11359 B12R2.1286 Cc1cccc(c1)NC2CC2 34a_100000188690_100000211595 [0,1,0,1,0,0|2,0,0]=4 11360 B12R2.1286 Cc1cccc(c1)OC2CC2 34a_100000210337_100000211595 [0,1,0,1,0,0|2,0,0]=4 11361 B12R2.1286 Cc1cccc(c1)SC2CC2 62a_100011215228_100000211595 [0,1,0,1,0,0|2,0,0]=4 11362 B12R2.1286 Cc1cccc(n1)SC2CC2 62a_100000742759_100000211595 [0,1,0,1,0,0|1,0,0]=3 11363 B12R2.1286 Cc1ccnc(c1)SC2CC2 62a_100000750283_100000211595 [0,1,0,1,0,0|1,0,0]=3 11364 B12R2.1286 Cc1ccnc(n1)NC2CC2 27a_100000212008_100000750684 [0,1,0,1,0,0|2,0,0]=4 11365 B12R2.1286 Cc1ccnc(n1)SC2CC2 62a_100011243806_100000211595 [0,1,0,1,0,0|2,0,0]=4 11366 B12R2.1286 Cc1cncc(n1)NC2CC2 27a_100000212008_100000754123 [0,1,0,1,0,0|2,0,0]=4 11367 B12R2.1286 Cc1cncc(n1)SC2CC2 62a_100000754123_100000211595 [0,1,0,1,0,0|2,0,0]=4 11368 B12R2.1286 Cc1cnnc(c1)NC2CC2 27a_100000212008_100000070100 [0,1,0,1,0,0|2,0,0]=4 11369 B12R2.1286 Cc1cnnc(c1)OC2CC2 34a_100000766097_100000211595 [0,1,0,1,0,0|2,0,0]=4 11370 B12R2.1286 Cc1cnnc(c1)SC2CC2 62a_100000070100_100000211595 [0,1,0,1,0,0|2,0,0]=4 11371 B12R2.1286 Cc1nccc(n1)NC2CC2 27a_100000212008_100000749937 [0,1,0,1,0,0|2,0,0]=4 11372 B12R2.1286 Cc1nccc(n1)SC2CC2 62a_100000749937_100000211595 [0,1,0,1,0,0|2,0,0]=4 11373 B12R2.1286 Clc1cc(ncn1)SC2CC2 62a_100010161198_100000211595 [0,1,0,1,0,0|2,0,0]=4 11374 B12R2.1286 Clc1cccc(c1)NC2CC2 34a_100000185859_100000211595 [0,1,0,1,0,0|2,0,0]=4 11375 B12R2.1286 Clc1cccc(c1)OC2CC2 34a_100000210295_100000211595 [0,1,0,1,0,0|2,0,0]=4 11376 B12R2.1286 Clc1cccc(c1)SC2CC2 62a_100000699651_100000211595 [0,1,0,1,0,0|2,0,0]=4 11377 B12R2.1286 Clc1cccc(n1)SC2CC2 62a_100000051397_100000211595 [0,1,0,1,0,0|1,0,0]=3 11378 B12R2.1286 Clc1ccnc(c1)SC2CC2 62a_100010167805_100000211595 [0,1,0,1,0,0|1,0,0]=3 11379 B12R2.1286 Clc1cncc(n1)NC2CC2 27a_100000212008_100010892449 [0,1,0,1,0,0|2,0,0]=4 11380 B12R2.1286 Clc1cncc(n1)SC2CC2 62a_100010892449_100000211595 [0,1,0,1,0,0|2,0,0]=4 11381 B12R2.1286 Clc1nccc(n1)SC2CC2 62a_100010154678_100000211595 [0,1,0,1,0,0|2,0,0]=4 11382 B12R2.1286 Fc1cc(ncn1)NC2CC2 27a_100000212008_200009880791 [0,1,0,1,0,0|2,0,0]=4 11383 B12R2.1286 Fc1cc(ncn1)SC2CC2 62a_200009880791_100000211595 [0,1,0,1,0,0|2,0,0]=4 11384 B12R2.1286 Fc1cccc(c1)NC2CC2 34a_100000210047_100000211595 [0,1,0,1,0,0|2,0,0]=4 11385 B12R2.1286 Fc1cccc(c1)OC2CC2 34a_100000210426_100000211595 [0,1,0,1,0,0|2,0,0]=4 11386 B12R2.1286 Fc1cccc(c1)SC2CC2 62a_100000685547_100000211595 [0,1,0,1,0,0|2,0,0]=4 11387 B12R2.1286 Fc1cccc(n1)NC2CC2 27a_100000212008_100009815982 [0,1,0,1,0,0|1,0,0]=3 11388 B12R2.1286 Fc1cccc(n1)OC2CC2 34a_100011432558_100000211595 [0,1,0,1,0,0|1,0,0]=3 11389 B12R2.1286 Fc1cccc(n1)SC2CC2 62a_100009815982_100000211595 [0,1,0,1,0,0|1,0,0]=3 11390 B12R2.1286 Fc1ccnc(c1)NC2CC2 27a_100000212008_100000764206 [0,1,0,1,0,0|1,0,0]=3 11391 B12R2.1286 Fc1ccnc(c1)SC2CC2 62a_100000764206_100000211595 [0,1,0,1,0,0|1,0,0]=3 11392 B12R2.1286 Fc1cncc(n1)NC2CC2 27a_100000212008_200009863489 [0,1,0,1,0,0|2,0,0]=4 11393 B12R2.1286 Fc1cncc(n1)SC2CC2 62a_200009863489_100000211595 [0,1,0,1,0,0|2,0,0]=4 11394 B12R2.1286 Ic1cccc(c1)NC2CC2 34a_100000211102_100000211595 [0,1,0,1,0,0|2,0,0]=4 11395 B12R2.1286 Ic1cccc(c1)OC2CC2 34a_100000211634_100000211595 [0,1,0,1,0,0|2,0,0]=4 11396 B12R2.1286 Nc1cc(ncn1)NC2CC2 27a_100000212008_100000701291 [0,1,0,1,0,0|2,0,0]=4 11397 B12R2.1286 Nc1cc(ncn1)SC2CC2 62a_100000701291_100000211595 [0,1,0,1,0,0|2,0,0]=4 11398 B12R2.1286 Nc1cccc(c1)OC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|2,0,0]=4 11399 B12R2.1286 Nc1cccc(c1)SC2CC2 62a_100000210019_100000211595 [0,1,0,1,0,0|2,0,0]=4 11400 B12R2.1286 Nc1cccc(n1)SC2CC2 62a_100000740741_100000211595 [0,1,0,1,0,0|1,0,0]=3 11401 B12R2.1286 Nc1ccnc(c1)SC2CC2 62a_100009814236_100000211595 [0,1,0,1,0,0|1,0,0]=3 11402 B12R2.1286 Nc1ccnc(n1)NC2CC2 27a_100000212008_100000757536 [0,1,0,1,0,0|2,0,0]=4 11403 B12R2.1286 Nc1ccnc(n1)SC2CC2 62a_100000757536_100000211595 [0,1,0,1,0,0|2,0,0]=4 11404 B12R2.1286 Nc1cncc(n1)SC2CC2 62a_100000747728_100000211595 [0,1,0,1,0,0|2,0,0]=4 11405 B12R2.1286 Nc1cnnc(c1)SC2CC2 62a_100011996757_100000211595 [0,1,0,1,0,0|2,0,0]=4 11406 B12R2.1286 Nc1nccc(n1)NC2CC2 27a_100000212008_100000055538 [0,1,0,1,0,0|2,0,0]=4 11407 B12R2.1286 Nc1nccc(n1)SC2CC2 62a_100000055538_100000211595 [0,1,0,1,0,0|2,0,0]=4 11408 B12R2.1286 O=c1cc(nc[nH]1)SC2CC2 62a_100012002517_100000211595 [0,1,0,1,0,0|2,0,0]=4 11409 B12R2.1286 O=c1cc[nH]c(c1)SC2CC2 62a_100009817434_100000211595 [0,1,0,1,0,0|1,0,1]=4 11410 B12R2.1286 O=c1cccc([nH]1)OC2CC2 34a_100000033347_100000211595 [0,1,0,1,0,0|1,0,1]=4 11411 B12R2.1286 O=c1nc(cc[nH]1)NC2CC2 27a_100000212008_200000134032 [0,1,0,1,0,0|2,0,0]=4 11412 B12R2.1286 Oc1cc(ncn1)NC2CC2 271570a_203496583355_100011210109 [0,1,0,1,0,0|2,0,0]=4 11413 B12R2.1286 Oc1cc(ncn1)NC2CC2 27a_100000212008_100000765262 [0,1,0,1,0,0|2,0,0]=4 11414 B12R2.1286 Oc1cccc(c1)NC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|2,0,0]=4 11415 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [0,1,0,1,0,0|2,0,0]=4 11416 B12R2.1286 Oc1cccc(c1)SC2CC2 271570a_203496583355_200010157562 [0,1,0,1,0,0|2,0,0]=4 11417 B12R2.1286 Oc1cccc(n1)NC2CC2 271570a_203496583355_200011960445 [0,1,0,1,0,0|1,0,0]=3 11418 B12R2.1286 Oc1cccc(n1)OC2CC2 271570a_203496583355_100010191207 [0,1,0,1,0,0|1,0,0]=3 11419 B12R2.1286 Oc1ccnc(c1)OC2CC2 271570a_203496583355_100010191144 [0,1,0,1,0,0|1,0,0]=3 11420 B12R2.1286 Oc1ccnc(n1)NC2CC2 27a_100000212008_100011649813 [0,1,0,1,0,0|2,0,0]=4 11421 B12R2.1286 Oc1nccc(n1)NC2CC2 271570a_203496583355_200011649943 [0,1,0,1,0,0|2,0,0]=4 11422 B12R2.1286 [O-][n+]1ccnc(c1)NC2CC2 27a_100000212008_100009880115 [0,1,0,1,0,0|2,0,0]=4 11423 B12R2.1286 [S]c1cccc(c1)SC2CC2 62a_114929384022_100000211595 [0,1,0,1,0,0|2,0,0]=4 11424 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,0,1,0,1,0|1,0,0]=3 11425 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,0,1,0,1,0|2,0,0]=4 11426 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,1,0|2,0,0]=4 11427 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,1,0|2,0,0]=4 11428 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [1,0,0,0,1,0|2,0,0]=4 11429 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [1,0,0,0,1,0|2,0,0]=4 11430 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [1,0,0,0,1,0|2,0,0]=4 11431 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [1,0,0,0,1,0|2,0,0]=4 11432 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,1,0|2,0,0]=4 11433 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,1,0|2,0,0]=4 11434 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,1,0|2,0,0]=4 11435 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,1,0|2,0,0]=4 11436 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,0,1,0|2,0,0]=4 11437 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,0,1,0|2,0,0]=4 11438 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,0,1,0|2,0,0]=4 11439 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,0,1,0|2,0,0]=4 11440 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,0,1,0|2,0,0]=4 11441 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,0,1,0|2,0,0]=4 11442 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,0,1,0|2,0,0]=4 11443 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,0,1,0|2,0,0]=4 11444 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,0,0,0,1,0|2,0,0]=4 11445 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,0,0,0,1,0|2,0,0]=4 11446 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,0,0,0,1,0|2,0,0]=4 11447 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,0,0,0,1,0|2,0,0]=4 11448 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,1,0|2,0,0]=4 11449 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,1,0|2,0,0]=4 11450 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,1,0|2,0,0]=4 11451 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,1,0|2,0,0]=4 11452 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [1,0,0,0,1,0|2,0,0]=4 11453 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [1,0,0,0,1,0|2,0,0]=4 11454 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [1,0,0,0,1,0|2,0,0]=4 11455 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [1,0,0,0,1,0|2,0,0]=4 11456 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,1,0|2,0,0]=4 11457 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,1,0|2,0,0]=4 11458 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,1,0|2,0,0]=4 11459 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,1,0|2,0,0]=4 11460 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,1,0|2,0,0]=4 11461 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,1,0|2,0,0]=4 11462 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,1,0|2,0,0]=4 11463 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,1,0|2,0,0]=4 11464 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,1,0|2,0,0]=4 11465 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,1,0|2,0,0]=4 11466 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,1,0|2,0,0]=4 11467 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [1,0,0,0,1,0|2,0,0]=4 11468 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [1,0,0,0,1,0|2,0,0]=4 11469 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [1,0,0,0,1,0|2,0,0]=4 11470 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,1,0|2,0,0]=4 11471 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,1,0|2,0,0]=4 11472 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,1,0|2,0,0]=4 11473 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,1,0|2,0,0]=4 11474 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,1,0|2,0,0]=4 11475 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,1,0|2,0,0]=4 11476 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,1,0|2,0,0]=4 11477 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [1,0,0,0,1,0|2,0,0]=4 11478 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [1,0,0,0,1,0|2,0,0]=4 11479 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [1,0,0,0,1,0|2,0,0]=4 11480 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [1,0,0,0,1,0|2,0,0]=4 11481 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [1,0,0,0,1,0|2,0,0]=4 11482 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [1,0,0,0,1,0|2,0,0]=4 11483 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [1,0,0,0,1,0|2,0,0]=4 11484 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,1,0|2,0,0]=4 11485 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,1,0|2,0,0]=4 11486 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,1,0|2,0,0]=4 11487 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,1,0|2,0,0]=4 11488 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,1,0|2,0,0]=4 11489 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,1,0|2,0,0]=4 11490 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,1,0|2,0,0]=4 11491 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,1,0|2,0,0]=4 11492 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,1,0|2,0,0]=4 11493 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,0,0,0,1,0|2,0,0]=4 11494 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,0,0,0,1,0|2,0,0]=4 11495 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,0,0,0,1,0|2,0,0]=4 11496 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,0,0,0,1,0|2,0,0]=4 11497 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,0,0,0,1,0|2,0,0]=4 11498 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,0,0,0,1,0|2,0,0]=4 11499 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,0,0,0,1,0|2,0,0]=4 11500 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,1,0|2,0,0]=4 11501 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,1,0|2,0,0]=4 11502 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,1,0|2,0,0]=4 11503 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,0,1,0|2,0,0]=4 11504 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,1,0|2,0,0]=4 11505 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,1,0|2,0,0]=4 11506 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,0,0,0,1,0|2,0,0]=4 11507 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,1,0|2,0,0]=4 11508 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,1,0|2,0,0]=4 11509 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,1,0|2,0,0]=4 11510 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,1,0|2,0,0]=4 11511 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,0,0,0,1,0|2,0,0]=4 11512 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,1,0|2,0,0]=4 11513 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,1,0|2,0,0]=4 11514 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,1,0|2,0,0]=4 11515 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,1,0|2,0,0]=4 11516 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,1,0|2,0,0]=4 11517 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,1,0|2,0,0]=4 11518 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,1,0|2,0,0]=4 11519 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,1,0|2,0,0]=4 11520 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,1,0|2,0,0]=4 11521 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,1,0|2,0,0]=4 11522 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,1,0|2,0,0]=4 11523 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,1,0|2,0,0]=4 11524 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,1,0|2,0,0]=4 11525 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,1,0|2,0,0]=4 11526 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,1,0|2,0,0]=4 11527 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,1,0|2,0,0]=4 11528 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,1,0|2,0,0]=4 11529 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,1,0|2,0,0]=4 11530 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,1,0|2,0,0]=4 11531 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,1,0|2,0,0]=4 11532 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,1,0|2,0,0]=4 11533 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [1,0,0,0,1,0|2,0,0]=4 11534 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,1,0|2,0,0]=4 11535 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,0,0,0,1,0|2,0,0]=4 11536 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,1,0|2,0,0]=4 11537 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,1,0|2,0,0]=4 11538 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,1,0|2,0,0]=4 11539 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,1,0|2,0,0]=4 11540 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,1,0|2,0,0]=4 11541 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,0,0,0,1,0|2,0,0]=4 11542 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,1,0|2,0,0]=4 11543 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,1,0|2,0,0]=4 11544 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,1,0|2,0,0]=4 11545 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,1,0|2,0,0]=4 11546 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,1,0|2,0,0]=4 11547 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,1,0|2,0,0]=4 11548 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,1,0|2,0,0]=4 11549 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,1,0|2,0,0]=4 11550 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,1,0|2,0,0]=4 11551 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,1,0|2,0,0]=4 11552 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,1,0|2,0,0]=4 11553 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,1,0|2,0,0]=4 11554 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,1,0|2,0,0]=4 11555 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,1,0|2,0,0]=4 11556 B10R0.27 C=CCC(C=C)OCC(C)C 34a_100000038011_100000210624 [0,0,1,0,0,1|1,0,1]=4 11557 B10R0.27 C=CCC(C=C)OCC(C)C 7a_100000038011_100000210760 [0,0,1,0,0,1|1,0,1]=4 11558 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,0,0,0,0,2|0,0,2]=4 11559 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,0,0,0,0,2|0,0,2]=4 11560 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,2|0,0,2]=4 11561 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,0,0,0,0,2|0,0,2]=4 11562 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,0,0,0,0,2|0,0,2]=4 11563 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,2|1,0,1]=4 11564 B12R1.252 CC(=CCNc1cccnn1)C 27a_100000718196_100016991348 [0,0,0,0,0,2|1,0,1]=4 11565 B12R1.252 CC(=CCNc1ccncn1)C 27a_100000718196_100000703185 [0,0,0,0,0,2|1,0,1]=4 11566 B12R1.252 CC(=CCNc1cnccn1)C 27a_100000718196_100000211759 [0,0,0,0,0,2|1,0,1]=4 11567 B12R1.252 CC(=CCNc1ncccn1)C 27a_100000718196_100000211032 [0,0,0,0,0,2|1,0,1]=4 11568 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,2|1,0,1]=4 11569 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,2|1,0,1]=4 11570 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,2|1,0,1]=4 11571 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,2|1,0,1]=4 11572 B12R1.252 CC(=CCSc1ccccn1)C 62a_100000761012_100011216584 [0,0,0,0,0,2|0,0,1]=3 11573 B12R1.252 CC(=CCSc1ccccn1)C 62a_100011216584_100000761012 [0,0,0,0,0,2|0,0,1]=3 11574 B12R1.252 CC(=CCSc1cccnn1)C 62a_100000761012_100016991348 [0,0,0,0,0,2|1,0,1]=4 11575 B12R1.252 CC(=CCSc1cccnn1)C 62a_100016991348_100000761012 [0,0,0,0,0,2|1,0,1]=4 11576 B12R1.252 CC(=CCSc1ccncn1)C 62a_100000703185_100000761012 [0,0,0,0,0,2|1,0,1]=4 11577 B12R1.252 CC(=CCSc1ccncn1)C 62a_100000761012_100000703185 [0,0,0,0,0,2|1,0,1]=4 11578 B12R1.252 CC(=CCSc1cnccn1)C 62a_100000211759_100000761012 [0,0,0,0,0,2|1,0,1]=4 11579 B12R1.252 CC(=CCSc1cnccn1)C 62a_100000761012_100000211759 [0,0,0,0,0,2|1,0,1]=4 11580 B12R1.252 CC(=CCSc1ncccn1)C 62a_100000211032_100000761012 [0,0,0,0,0,2|1,0,1]=4 11581 B12R1.252 CC(=CCSc1ncccn1)C 62a_100000761012_100000211032 [0,0,0,0,0,2|1,0,1]=4 11582 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,2|1,0,1]=4 11583 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,2|1,0,1]=4 11584 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,2|1,0,1]=4 11585 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,2|1,0,1]=4 11586 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,2|1,0,1]=4 11587 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,2|1,0,1]=4 11588 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,2|1,0,1]=4 11589 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,2|1,0,1]=4 11590 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,2|1,0,1]=4 11591 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,2|1,0,1]=4 11592 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,2|1,0,1]=4 11593 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,2|1,0,1]=4 11594 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,0,0,0,0,2|2,0,0]=4 11595 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,0,0,0,0,2|1,0,0]=3 11596 B12R1.252 CC(Br)COCc1cccnn1 34a_100012180447_100016990269 [0,0,0,0,0,2|2,0,0]=4 11597 B12R1.252 CC(Br)COCc1cnccn1 34a_100012180447_100016995436 [0,0,0,0,0,2|2,0,0]=4 11598 B12R1.252 CC(Br)COCc1ncccn1 34a_100012180447_100000703007 [0,0,0,0,0,2|2,0,0]=4 11599 B12R1.252 CC(C)C=NNc1ccccc1 4a_100015195140_100000210432 [0,0,0,0,0,2|1,0,1]=4 11600 B12R1.252 CC(C)C=NNc1ccccn1 4a_100000183288_100000210432 [0,0,0,0,0,2|0,0,1]=3 11601 B12R1.252 CC(C)C=NNc1cccnn1 4a_100000757824_100000210432 [0,0,0,0,0,2|1,0,1]=4 11602 B12R1.252 CC(C)C=NNc1ccncn1 4a_100011438088_100000210432 [0,0,0,0,0,2|1,0,1]=4 11603 B12R1.252 CC(C)C=NNc1cnccn1 4a_100000736894_100000210432 [0,0,0,0,0,2|1,0,1]=4 11604 B12R1.252 CC(C)C=NNc1ncccn1 4a_100000736892_100000210432 [0,0,0,0,0,2|1,0,1]=4 11605 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,0,0,0,0,2|1,0,0]=3 11606 B12R1.252 CC(C)CC=Cc1ccccn1 271570a_100016259101_100011216584 [0,0,0,0,0,2|0,0,0]=2 11607 B12R1.252 CC(C)CC=Cc1cccnc1 271570a_100016259101_100000752921 [0,0,0,0,0,2|2,0,0]=4 11608 B12R1.252 CC(C)CC=Cc1cccnn1 271570a_100016259101_100016991348 [0,0,0,0,0,2|1,0,0]=3 11609 B12R1.252 CC(C)CC=Cc1ccncc1 271570a_100016259101_100000035832 [0,0,0,0,0,2|2,0,0]=4 11610 B12R1.252 CC(C)CC=Cc1ccncn1 271570a_100016259101_100000703185 [0,0,0,0,0,2|1,0,0]=3 11611 B12R1.252 CC(C)CC=Cc1cnccn1 271570a_100016259101_100000758340 [0,0,0,0,0,2|1,0,0]=3 11612 B12R1.252 CC(C)CC=Cc1ncccn1 271570a_100016259101_100000211032 [0,0,0,0,0,2|1,0,0]=3 11613 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,0,0,0,0,2|1,0,0]=3 11614 B12R1.252 CC(C)CCNc1cccnn1 27a_100000210545_100016991348 [0,0,0,0,0,2|1,0,0]=3 11615 B12R1.252 CC(C)CCNc1ccncn1 27a_100000210545_100000703185 [0,0,0,0,0,2|1,0,0]=3 11616 B12R1.252 CC(C)CCNc1cnccn1 27a_100000210545_100000211759 [0,0,0,0,0,2|1,0,0]=3 11617 B12R1.252 CC(C)CCNc1ncccn1 27a_100000210545_100000211032 [0,0,0,0,0,2|1,0,0]=3 11618 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,0,0,0,2|1,0,0]=3 11619 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,0,0,0,2|1,0,0]=3 11620 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,0,0,0,0,2|2,0,0]=4 11621 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,0,0,0,0,2|2,0,0]=4 11622 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,0,0,0,0,2|2,0,0]=4 11623 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,0,0,0,0,2|1,0,0]=3 11624 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,0,0,0,0,2|1,0,0]=3 11625 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,0,0,0,0,2|0,0,0]=2 11626 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,0,0,0,0,2|0,0,0]=2 11627 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,0,0,0,0,2|2,0,0]=4 11628 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,0,0,0,0,2|2,0,0]=4 11629 B12R1.252 CC(C)CCSc1cccnn1 62a_100000210312_100016991348 [0,0,0,0,0,2|1,0,0]=3 11630 B12R1.252 CC(C)CCSc1cccnn1 62a_100016991348_100000210312 [0,0,0,0,0,2|1,0,0]=3 11631 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [0,0,0,0,0,2|2,0,0]=4 11632 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [0,0,0,0,0,2|2,0,0]=4 11633 B12R1.252 CC(C)CCSc1ccncn1 62a_100000210312_100000703185 [0,0,0,0,0,2|1,0,0]=3 11634 B12R1.252 CC(C)CCSc1ccncn1 62a_100000703185_100000210312 [0,0,0,0,0,2|1,0,0]=3 11635 B12R1.252 CC(C)CCSc1cnccn1 62a_100000210312_100000211759 [0,0,0,0,0,2|1,0,0]=3 11636 B12R1.252 CC(C)CCSc1cnccn1 62a_100000211759_100000210312 [0,0,0,0,0,2|1,0,0]=3 11637 B12R1.252 CC(C)CCSc1ncccn1 62a_100000210312_100000211032 [0,0,0,0,0,2|1,0,0]=3 11638 B12R1.252 CC(C)CCSc1ncccn1 62a_100000211032_100000210312 [0,0,0,0,0,2|1,0,0]=3 11639 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,0,0,0,0,2|1,0,0]=3 11640 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,0,0,0,0,2|1,0,0]=3 11641 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,0,0,0,0,2|1,0,0]=3 11642 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,0,0,0,0,2|1,0,0]=3 11643 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,0,0,0,0,2|1,0,0]=3 11644 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,0,0,0,0,2|1,0,0]=3 11645 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,0,0,0,0,2|1,0,0]=3 11646 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,0,0,0,0,2|0,0,0]=2 11647 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,0,0,0,0,2|0,0,0]=2 11648 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,0,0,0,0,2|0,0,0]=2 11649 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,0,0,0,0,2|0,0,0]=2 11650 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,0,0,0,0,2|0,0,0]=2 11651 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,0,0,0,0,2|2,0,0]=4 11652 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,0,0,0,0,2|2,0,0]=4 11653 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,0,0,0,0,2|2,0,0]=4 11654 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,0,0,0,0,2|2,0,0]=4 11655 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,0,0,0,0,2|2,0,0]=4 11656 B12R1.252 CC(C)CNCc1cccnn1 2230a_100000210953_100016990269 [0,0,0,0,0,2|1,0,0]=3 11657 B12R1.252 CC(C)CNCc1cccnn1 2230a_100159270163_100000210760 [0,0,0,0,0,2|1,0,0]=3 11658 B12R1.252 CC(C)CNCc1cccnn1 34a_100000210953_100016990269 [0,0,0,0,0,2|1,0,0]=3 11659 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,0,0,0,0,2|2,0,0]=4 11660 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,0,0,0,0,2|2,0,0]=4 11661 B12R1.252 CC(C)CNCc1cnccn1 2230a_100000210953_100016995436 [0,0,0,0,0,2|1,0,0]=3 11662 B12R1.252 CC(C)CNCc1cnccn1 270004a_100000210953_100000749867 [0,0,0,0,0,2|1,0,0]=3 11663 B12R1.252 CC(C)CNCc1cnccn1 34a_100000210953_100016995436 [0,0,0,0,0,2|1,0,0]=3 11664 B12R1.252 CC(C)CNCc1ncccn1 2230a_100000210953_100000703007 [0,0,0,0,0,2|1,0,0]=3 11665 B12R1.252 CC(C)CNCc1ncccn1 270004a_100000210953_100011532527 [0,0,0,0,0,2|1,0,0]=3 11666 B12R1.252 CC(C)CNCc1ncccn1 34a_100000210953_100000703007 [0,0,0,0,0,2|1,0,0]=3 11667 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,0,0,0,0,2|1,0,0]=3 11668 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,0,0,0,0,2|1,0,0]=3 11669 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,0,0,0,0,2|1,0,0]=3 11670 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,0,0,0,0,2|0,0,0]=2 11671 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,0,0,0,0,2|2,0,0]=4 11672 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,0,0,0,0,2|1,0,0]=3 11673 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,0,0,0,0,2|1,0,0]=3 11674 B12R1.252 CC(C)COCc1ncccn1 34a_100000210257_100000703007 [0,0,0,0,0,2|1,0,0]=3 11675 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,0,0,0,0,2|1,0,0]=3 11676 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,0,0,0,0,2|1,0,0]=3 11677 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,0,0,0,0,2|0,0,0]=2 11678 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,0,0,0,0,2|0,0,0]=2 11679 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,0,0,0,0,2|2,0,0]=4 11680 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,0,0,0,0,2|2,0,0]=4 11681 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,0,0,0,0,2|1,0,0]=3 11682 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,0,0,0,0,2|1,0,0]=3 11683 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,0,0,0,0,2|2,0,0]=4 11684 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,0,0,0,0,2|2,0,0]=4 11685 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,0,0,0,0,2|1,0,0]=3 11686 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,0,0,0,0,2|1,0,0]=3 11687 B12R1.252 CC(C)CSCc1ncccn1 62a_100000210624_100000703007 [0,0,0,0,0,2|1,0,0]=3 11688 B12R1.252 CC(C)CSCc1ncccn1 62a_100000703007_100000210760 [0,0,0,0,0,2|1,0,0]=3 11689 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,0,0,0,0,2|1,0,0]=3 11690 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,0,0,0,0,2|1,0,0]=3 11691 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,0,0,0,0,2|1,0,0]=3 11692 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,0,0,0,0,2|1,0,0]=3 11693 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,0,0,0,0,2|0,0,0]=2 11694 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,0,0,0,0,2|2,0,0]=4 11695 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,0,0,0,0,2|2,0,0]=4 11696 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,0,0,0,0,2|2,0,0]=4 11697 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,0,0,0,0,2|1,0,0]=3 11698 B12R1.252 CC(C)NN=Cc1ccccc1 4a_100000741168_100015611070 [0,0,0,0,0,2|1,0,1]=4 11699 B12R1.252 CC(C)NN=Cc1ccccn1 4a_100000741168_100000209966 [0,0,0,0,0,2|0,0,1]=3 11700 B12R1.252 CC(C)NN=Cc1ccncn1 4a_100000741168_100011744739 [0,0,0,0,0,2|1,0,1]=4 11701 B12R1.252 CC(C)NN=Cc1cnccn1 4a_100000741168_100000749867 [0,0,0,0,0,2|1,0,1]=4 11702 B12R1.252 CC(C)NN=Cc1ncccn1 4a_100000741168_100011532527 [0,0,0,0,0,2|1,0,1]=4 11703 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,0,0,0,0,2|1,0,0]=3 11704 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,0,0,0,0,2|1,0,0]=3 11705 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,0,0,0,0,2|1,0,0]=3 11706 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,0,0,0,0,2|0,0,0]=2 11707 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,0,0,0,0,2|2,0,0]=4 11708 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [0,0,0,0,0,2|2,0,0]=4 11709 B12R1.252 CC(C)OCCc1cnccn1 34a_100011349526_100000210206 [0,0,0,0,0,2|1,0,0]=3 11710 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,0,0,0,0,2|1,0,0]=3 11711 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,0,0,0,0,2|1,0,0]=3 11712 B12R1.252 CC(C)OCOc1cccnc1 34a_100000210849_100000709892 [0,0,0,0,0,2|2,0,0]=4 11713 B12R1.252 CC(C)OCOc1ccncc1 34a_100000212176_100000709892 [0,0,0,0,0,2|2,0,0]=4 11714 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,0,0,0,0,2|1,0,0]=3 11715 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,0,0,0,0,2|1,0,0]=3 11716 B12R1.252 CC(C)OCSc1ccccn1 62a_100000709892_100011216584 [0,0,0,0,0,2|0,0,0]=2 11717 B12R1.252 CC(C)OCSc1ccccn1 62a_100011216584_100000709892 [0,0,0,0,0,2|0,0,0]=2 11718 B12R1.252 CC(C)OCSc1cccnc1 62a_100000210063_100000709892 [0,0,0,0,0,2|2,0,0]=4 11719 B12R1.252 CC(C)OCSc1cccnc1 62a_100000709892_100000210063 [0,0,0,0,0,2|2,0,0]=4 11720 B12R1.252 CC(C)OCSc1cccnn1 62a_100000709892_100016991348 [0,0,0,0,0,2|1,0,0]=3 11721 B12R1.252 CC(C)OCSc1cccnn1 62a_100016991348_100000709892 [0,0,0,0,0,2|1,0,0]=3 11722 B12R1.252 CC(C)OCSc1ccncc1 62a_100000709892_100000728582 [0,0,0,0,0,2|2,0,0]=4 11723 B12R1.252 CC(C)OCSc1ccncc1 62a_100000728582_100000709892 [0,0,0,0,0,2|2,0,0]=4 11724 B12R1.252 CC(C)OCSc1ccncn1 62a_100000703185_100000709892 [0,0,0,0,0,2|1,0,0]=3 11725 B12R1.252 CC(C)OCSc1ccncn1 62a_100000709892_100000703185 [0,0,0,0,0,2|1,0,0]=3 11726 B12R1.252 CC(C)OCSc1cnccn1 62a_100000211759_100000709892 [0,0,0,0,0,2|1,0,0]=3 11727 B12R1.252 CC(C)OCSc1cnccn1 62a_100000709892_100000211759 [0,0,0,0,0,2|1,0,0]=3 11728 B12R1.252 CC(C)OCSc1ncccn1 62a_100000211032_100000709892 [0,0,0,0,0,2|1,0,0]=3 11729 B12R1.252 CC(C)OCSc1ncccn1 62a_100000709892_100000211032 [0,0,0,0,0,2|1,0,0]=3 11730 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,0,0,0,0,2|1,0,0]=3 11731 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,0,0,0,0,2|1,0,0]=3 11732 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,0,0,0,0,2|0,0,0]=2 11733 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,0,0,0,0,2|0,0,0]=2 11734 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,0,0,0,0,2|2,0,0]=4 11735 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,0,0,0,0,2|2,0,0]=4 11736 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [0,0,0,0,0,2|2,0,0]=4 11737 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [0,0,0,0,0,2|2,0,0]=4 11738 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [0,0,0,0,0,2|1,0,0]=3 11739 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [0,0,0,0,0,2|1,0,0]=3 11740 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,0,0,0,0,2|2,0,0]=4 11741 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,0,0,0,0,2|1,0,0]=3 11742 B12R1.252 CC(F)COCc1cccnn1 34a_100015925927_100016990269 [0,0,0,0,0,2|2,0,0]=4 11743 B12R1.252 CC(F)COCc1cnccn1 34a_100015925927_100016995436 [0,0,0,0,0,2|2,0,0]=4 11744 B12R1.252 CC(F)COCc1ncccn1 34a_100015925927_100000703007 [0,0,0,0,0,2|2,0,0]=4 11745 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,0,0,0,0,2|2,0,0]=4 11746 B12R1.252 CC(O)CCNc1cccnn1 27a_200000755665_100016991348 [0,0,0,0,0,2|2,0,0]=4 11747 B12R1.252 CC(O)CCNc1ccncn1 27a_200000755665_100000703185 [0,0,0,0,0,2|2,0,0]=4 11748 B12R1.252 CC(O)CCNc1cnccn1 27a_200000755665_100000211759 [0,0,0,0,0,2|2,0,0]=4 11749 B12R1.252 CC(O)CCNc1ncccn1 27a_200000755665_100000211032 [0,0,0,0,0,2|2,0,0]=4 11750 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,0,0,0,2|2,0,0]=4 11751 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,0,0,0,2|2,0,0]=4 11752 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,0,0,0,0,2|2,0,0]=4 11753 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,0,0,0,0,2|2,0,0]=4 11754 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,0,0,0,0,2|1,0,0]=3 11755 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,0,0,0,0,2|1,0,0]=3 11756 B12R1.252 CC(O)CCSc1cccnn1 62a_100012276601_100016991348 [0,0,0,0,0,2|2,0,0]=4 11757 B12R1.252 CC(O)CCSc1cccnn1 62a_100016991348_100012276601 [0,0,0,0,0,2|2,0,0]=4 11758 B12R1.252 CC(O)CCSc1ccncn1 62a_100000703185_100012276601 [0,0,0,0,0,2|2,0,0]=4 11759 B12R1.252 CC(O)CCSc1ccncn1 62a_100012276601_100000703185 [0,0,0,0,0,2|2,0,0]=4 11760 B12R1.252 CC(O)CCSc1cnccn1 62a_100000211759_100012276601 [0,0,0,0,0,2|2,0,0]=4 11761 B12R1.252 CC(O)CCSc1cnccn1 62a_100012276601_100000211759 [0,0,0,0,0,2|2,0,0]=4 11762 B12R1.252 CC(O)CCSc1ncccn1 62a_100000211032_100012276601 [0,0,0,0,0,2|2,0,0]=4 11763 B12R1.252 CC(O)CCSc1ncccn1 62a_100012276601_100000211032 [0,0,0,0,0,2|2,0,0]=4 11764 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,0,0,0,0,2|2,0,0]=4 11765 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,0,0,0,0,2|2,0,0]=4 11766 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,0,0,0,0,2|2,0,0]=4 11767 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,0,0,0,0,2|2,0,0]=4 11768 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,2|2,0,0]=4 11769 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,0,0,0,0,2|2,0,0]=4 11770 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,0,0,0,0,2|1,0,0]=3 11771 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,0,0,0,0,2|1,0,0]=3 11772 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,0,0,0,0,2|1,0,0]=3 11773 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,0,0,0,0,2|1,0,0]=3 11774 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,0,0,0,0,2|2,0,0]=4 11775 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,0,0,0,0,2|2,0,0]=4 11776 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,0,0,0,0,2|2,0,0]=4 11777 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,0,0,0,0,2|2,0,0]=4 11778 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,0,0,0,0,2|2,0,0]=4 11779 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,0,0,0,0,2|2,0,0]=4 11780 B12R1.252 CC(O)CNCc1ncccn1 2230a_100000210904_100000703007 [0,0,0,0,0,2|2,0,0]=4 11781 B12R1.252 CC(O)CNCc1ncccn1 270004a_100000210904_100011532527 [0,0,0,0,0,2|2,0,0]=4 11782 B12R1.252 CC(O)CNCc1ncccn1 34a_100000210904_100000703007 [0,0,0,0,0,2|2,0,0]=4 11783 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,0,0,0,2|2,0,0]=4 11784 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,0,0,0,2|2,0,0]=4 11785 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,2|2,0,0]=4 11786 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,2|2,0,0]=4 11787 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,0,0,0,0,2|1,0,0]=3 11788 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,0,0,0,0,2|1,0,0]=3 11789 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,0,0,0,0,2|2,0,0]=4 11790 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,0,0,0,0,2|2,0,0]=4 11791 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,0,0,0,0,2|2,0,0]=4 11792 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,0,0,0,0,2|2,0,0]=4 11793 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,0,0,0,0,2|2,0,0]=4 11794 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,0,0,0,0,2|2,0,0]=4 11795 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [0,0,0,0,0,2|2,0,0]=4 11796 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [0,0,0,0,0,2|2,0,0]=4 11797 B12R1.252 CN(C)CC#Cc1ccccc1 2230a_100102631434_100011352542 [0,0,0,0,0,2|2,0,0]=4 11798 B12R1.252 CN(C)CC#Cc1ccccc1 269982a_100102631434_100011352542 [0,0,0,0,0,2|2,0,0]=4 11799 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [0,0,0,0,0,2|2,0,0]=4 11800 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,0,0,0,0,2|2,0,0]=4 11801 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,0,0,0,0,2|2,0,0]=4 11802 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,0,0,0,0,2|2,0,0]=4 11803 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,0,0,0,0,2|2,0,0]=4 11804 B12R1.252 CN(C)CCNc1cccnn1 27a_100000210585_100016991348 [0,0,0,0,0,2|2,0,0]=4 11805 B12R1.252 CN(C)CCNc1ccncn1 27a_100000210585_100000703185 [0,0,0,0,0,2|2,0,0]=4 11806 B12R1.252 CN(C)CCNc1cnccn1 27a_100000210585_100000211759 [0,0,0,0,0,2|2,0,0]=4 11807 B12R1.252 CN(C)CCNc1ncccn1 27a_100000210585_100000211032 [0,0,0,0,0,2|2,0,0]=4 11808 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,0,0,0,0,2|2,0,0]=4 11809 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,0,0,0,0,2|2,0,0]=4 11810 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,0,0,0,0,2|2,0,0]=4 11811 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,0,0,0,0,2|2,0,0]=4 11812 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,0,0,0,0,2|2,0,0]=4 11813 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,0,0,0,0,2|2,0,0]=4 11814 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,0,0,0,0,2|2,0,0]=4 11815 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,0,0,0,0,2|2,0,0]=4 11816 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,0,0,0,0,2|2,0,0]=4 11817 B12R1.252 CN(C)CCSc1ccccn1 62a_100011216584_100000755713 [0,0,0,0,0,2|1,0,0]=3 11818 B12R1.252 CN(C)CCSc1cccnn1 62a_100016991348_100000755713 [0,0,0,0,0,2|2,0,0]=4 11819 B12R1.252 CN(C)CCSc1ccncn1 62a_100000703185_100000755713 [0,0,0,0,0,2|2,0,0]=4 11820 B12R1.252 CN(C)CCSc1cnccn1 62a_100000211759_100000755713 [0,0,0,0,0,2|2,0,0]=4 11821 B12R1.252 CN(C)CCSc1ncccn1 62a_100000211032_100000755713 [0,0,0,0,0,2|2,0,0]=4 11822 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,0,0,0,0,2|2,0,0]=4 11823 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,0,0,0,0,2|2,0,0]=4 11824 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,0,0,0,0,2|2,0,0]=4 11825 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,0,0,0,0,2|2,0,0]=4 11826 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,0,0,0,0,2|2,0,0]=4 11827 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,0,0,0,0,2|2,0,0]=4 11828 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,0,0,0,0,2|2,0,0]=4 11829 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,0,0,0,0,2|2,0,0]=4 11830 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,0,0,0,0,2|1,0,0]=3 11831 B12R1.252 C[C@@H](Cl)COCc1cccnn1 34a_100016084084_100016990269 [0,0,0,0,0,2|2,0,0]=4 11832 B12R1.252 C[C@@H](Cl)COCc1cnccn1 34a_100016084084_100016995436 [0,0,0,0,0,2|2,0,0]=4 11833 B12R1.252 C[C@@H](Cl)COCc1ncccn1 34a_100016084084_100000703007 [0,0,0,0,0,2|2,0,0]=4 11834 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,0,0,0,0,2|2,0,0]=4 11835 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,0,0,0,0,2|1,0,0]=3 11836 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,0,0,0,0,2|2,0,0]=4 11837 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,0,0,0,0,2|2,0,0]=4 11838 B12R1.252 C[C@@H](N)COCc1ncccn1 34a_100000737577_100000703007 [0,0,0,0,0,2|2,0,0]=4 11839 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,0,0,0,0,2|2,0,0]=4 11840 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,0,0,0,0,2|2,0,0]=4 11841 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,0,0,0,0,2|2,0,0]=4 11842 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,0,0,0,2|2,0,0]=4 11843 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,0,0,0,2|2,0,0]=4 11844 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,2|2,0,0]=4 11845 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,2|2,0,0]=4 11846 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,0,0,0,0,2|1,0,0]=3 11847 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,0,0,0,0,2|1,0,0]=3 11848 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,0,0,0,0,2|2,0,0]=4 11849 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,0,0,0,0,2|2,0,0]=4 11850 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,0,0,0,0,2|2,0,0]=4 11851 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,0,0,0,0,2|2,0,0]=4 11852 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,0,0,0,0,2|2,0,0]=4 11853 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,0,0,0,0,2|2,0,0]=4 11854 B12R1.252 FC(F)CNCc1ccccn1 207a_100000765723_100000209966 [0,0,0,0,0,2|2,0,0]=4 11855 B12R1.252 FC(F)CNCc1ccccn1 270004a_100000765723_100000209966 [0,0,0,0,0,2|2,0,0]=4 11856 B12R1.252 FC(F)CNCc1ccccn1 34a_100000765723_100000721315 [0,0,0,0,0,2|2,0,0]=4 11857 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,0,0,0,0,2|2,0,0]=4 11858 B12R1.252 FC(F)CSCc1ccccn1 62a_100000721315_100011934356 [0,0,0,0,0,2|2,0,0]=4 11859 B12R1.252 FC(F)CSCc1ccccn1 62a_100011934356_100000721315 [0,0,0,0,0,2|2,0,0]=4 11860 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,2|1,0,1]=4 11861 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,2|1,0,1]=4