0 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,0|1,1,1]=3 4 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,0|1,0,1]=2 35 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,0|1,1,1]=3 36 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,0|1,1,1]=3 37 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,0|1,0,1]=2 39 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,0|1,0,1]=2 40 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|0,0,0]=1 52 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|0,0,0]=1 59 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|0,0,1]=2 108 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|0,0,1]=2 109 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|0,0,1]=2 110 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|0,1,1]=3 117 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|0,1,1]=3 118 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|1,1,1]=4 119 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|1,1,1]=4 120 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|1,1,1]=4 121 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|1,1,1]=4 122 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|1,1,1]=4 123 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|1,1,1]=4 124 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 130 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 131 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|0,0,1]=2 132 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|0,0,1]=2 133 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|0,1,1]=3 134 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|0,1,1]=3 135 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|1,1,1]=4 136 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|1,1,1]=4 137 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|1,1,1]=4 138 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|1,1,1]=4 139 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|1,1,1]=4 140 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|1,1,1]=4 141 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [0,1,0,0,0,0|1,1,1]=4 145 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [0,1,0,0,0,0|1,1,1]=4 146 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.7 CNS(=O)(=O)c1ccccn1 270084a_100102657272_100016994956 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.7 CNS(=O)(=O)c1ccccn1 274078a_100102657272_100016994956 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.7 CNS(=O)(=O)c1ccccn1 40a_100102657272_100000070048 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.7 CNS(=O)(=O)c1cccnc1 270084a_100102657272_100000736704 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.7 CNS(=O)(=O)c1cccnc1 274078a_100102657272_100000736704 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [0,1,0,0,0,0|1,1,1]=4 160 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [0,1,0,0,0,0|1,1,1]=4 161 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [0,1,0,0,0,0|1,1,1]=4 162 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [0,1,0,0,0,0|1,1,1]=4 163 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,1,0,0,0,0|1,1,1]=4 173 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,1,0,0,0,0|1,1,1]=4 174 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,1,0,0,0,0|1,1,1]=4 175 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,1,0,0,0,0|1,1,1]=4 176 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|1,1,1]=4 209 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|1,1,1]=4 210 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|1,1,1]=4 211 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|1,1,1]=4 212 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|1,0,1]=3 229 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|1,1,1]=4 232 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|1,1,1]=4 233 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|1,0,2]=4 253 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|1,0,2]=4 255 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|1,0,2]=4 256 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|1,0,2]=4 259 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|0,0,2]=3 265 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|0,0,2]=3 270 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|0,1,0]=2 271 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|0,1,0]=2 272 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,0|1,1,0]=3 273 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,0|1,1,0]=3 274 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,1,0,0,0,0|1,1,0]=3 275 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,1,0,0,0,0|1,1,0]=3 276 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,1,0,0,0,0|1,1,0]=3 277 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,1,0,0,0,0|1,1,0]=3 278 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,1,0,0,0,0|2,1,0]=4 279 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,1,0,0,0,0|2,1,0]=4 280 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|1,1,1]=4 281 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|1,1,1]=4 282 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|0,1,2]=4 283 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|0,1,2]=4 284 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|2,1,0]=4 285 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|2,1,0]=4 286 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|2,1,0]=4 287 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|1,1,0]=3 288 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|0,1,2]=4 289 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|0,1,2]=4 290 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|1,0,1]=3 292 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|1,0,1]=3 293 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|1,0,2]=4 299 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|1,0,1]=3 300 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|0,1,0]=2 302 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|0,1,0]=2 303 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,0|1,1,0]=3 304 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,0|1,1,0]=3 305 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,1,0,0,0,0|1,1,0]=3 306 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,1,0,0,0,0|1,1,0]=3 307 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,1,0,0,0,0|1,1,0]=3 308 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,1,0,0,0,0|1,1,0]=3 309 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,1,0,0,0,0|2,1,0]=4 310 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,1,0,0,0,0|2,1,0]=4 311 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|0,1,2]=4 312 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|0,1,2]=4 313 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|1,1,0]=3 314 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|0,1,2]=4 315 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|0,1,2]=4 316 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,1,0,0,0,0|1,1,1]=4 328 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,1,0,0,0,0|1,1,1]=4 329 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,1,0,0,0,0|1,1,1]=4 330 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,1,0,0,0,0|1,1,1]=4 331 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,1,0,0,0,0|1,1,1]=4 332 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,1,0,0,0,0|1,1,1]=4 333 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|1,0,0]=2 400 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|1,0,0]=2 401 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|1,0,0]=2 403 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|1,0,0]=2 404 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|1,0,0]=2 406 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|1,0,0]=2 413 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|0,0,0]=1 444 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,0|1,0,0]=2 445 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,0|1,0,0]=2 446 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|1,0,1]=3 451 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|1,0,1]=3 452 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|1,0,1]=3 453 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|1,0,1]=3 454 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|1,0,1]=3 456 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|1,0,1]=3 457 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|1,0,1]=3 458 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|1,0,1]=3 459 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|1,0,1]=3 468 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|1,0,1]=3 469 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|1,0,1]=3 470 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|1,0,1]=3 471 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,1,0,0,0,0|1,1,1]=4 472 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,1,0,0,0,0|1,1,1]=4 473 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,0,0|1,1,1]=4 474 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,0,0|1,1,1]=4 475 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,1,0,0,0,0|1,1,1]=4 476 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,1,0,0,0,0|1,1,1]=4 477 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,1,0,0,0,0|1,1,1]=4 478 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,1,0,0,0,0|1,1,1]=4 479 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|2,0,1]=4 486 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|1,0,1]=3 487 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|1,0,1]=3 488 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,0,0|1,1,1]=4 490 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,0,0|1,1,1]=4 491 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|1,0,1]=3 494 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|1,0,1]=3 495 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|1,0,1]=3 510 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|1,0,1]=3 511 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|1,0,1]=3 512 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|1,0,1]=3 513 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|1,0,1]=3 520 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|1,0,1]=3 521 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|1,0,1]=3 522 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|1,0,1]=3 523 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|1,0,1]=3 524 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|1,0,1]=3 525 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|1,0,1]=3 526 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|1,0,0]=2 531 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|1,0,0]=2 532 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|1,0,0]=2 533 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|1,0,0]=2 535 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|1,0,0]=2 536 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|1,0,0]=2 537 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,0,0|1,0,2]=4 539 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|1,0,0]=2 580 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 581 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 582 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|1,0,0]=2 583 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|1,0,0]=2 588 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 597 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 598 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,0|1,0,0]=2 621 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|0,0,0]=1 623 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,0|1,0,0]=2 624 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,0|1,0,0]=2 625 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,0|1,0,0]=2 627 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|1,0,1]=3 632 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|1,0,1]=3 633 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|1,0,1]=3 634 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|1,0,1]=3 635 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|1,0,1]=3 636 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|1,0,1]=3 637 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|1,0,1]=3 638 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|1,0,1]=3 639 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|1,0,1]=3 640 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [0,1,0,0,0,0|2,0,1]=4 641 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [0,1,0,0,0,0|2,0,1]=4 644 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|1,0,1]=3 646 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|1,0,1]=3 647 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,1,0,0,0,0|2,0,1]=4 648 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,1,0,0,0,0|2,0,1]=4 649 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|1,0,1]=3 650 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|1,0,1]=3 651 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|1,0,1]=3 653 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|1,0,1]=3 654 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|1,0,2]=4 684 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 703 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 704 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 705 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,0|1,0,0]=2 706 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|1,0,2]=4 709 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,0,0|1,0,1]=3 715 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,0,0|1,0,1]=3 716 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,0,0|1,0,1]=3 717 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,0,0|1,0,1]=3 718 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,0,0|1,0,1]=3 719 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,0,0|1,0,1]=3 720 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,0,0|1,0,1]=3 721 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.222 CC(O[13CH3])c1ccncc1F 34a_100012180158_200025704644 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,1,0,0,0,0|1,1,1]=4 725 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,1,0,0,0,0|1,1,1]=4 726 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,1,0,0,0,0|1,1,1]=4 727 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,1,0,0,0,0|1,1,1]=4 728 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|1,0,0]=2 729 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|1,0,0]=2 731 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|1,0,0]=2 732 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|1,0,0]=2 733 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|1,0,0]=2 734 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|1,0,0]=2 735 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [0,1,0,0,0,0|3,0,0]=4 745 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [0,1,0,0,0,0|3,0,0]=4 746 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|1,0,0]=2 770 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|1,0,0]=2 771 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|1,0,0]=2 772 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|1,0,0]=2 773 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|1,0,0]=2 774 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|1,0,0]=2 775 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|1,0,0]=2 776 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|1,0,0]=2 777 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|1,0,0]=2 778 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|1,0,0]=2 779 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|1,0,0]=2 787 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|1,0,0]=2 788 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|1,0,0]=2 789 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|1,0,0]=2 790 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|1,0,0]=2 791 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|1,0,0]=2 792 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|1,0,0]=2 793 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|1,0,0]=2 794 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,1,0,0,0,0|2,0,1]=4 796 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,1,0,0,0,0|2,0,1]=4 797 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,1,0,0,0,0|2,0,1]=4 798 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,1,0,0,0,0|2,0,1]=4 799 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,1,0,0,0,0|2,0,1]=4 800 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,1,0,0,0,0|2,0,1]=4 804 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,1,0,0,0,0|2,0,1]=4 805 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,1,0,0,0,0|2,0,1]=4 806 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,1,0,0,0,0|2,0,1]=4 807 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,1,0,0,0,0|2,0,1]=4 809 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,0,0|2,0,1]=4 813 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,0,0|2,0,1]=4 814 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|0,0,0]=1 815 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,0|1,0,0]=2 816 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,0|1,0,0]=2 817 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,0|1,0,0]=2 818 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,0|1,0,0]=2 820 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,0,0|1,0,1]=3 823 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,0,0|1,0,1]=3 824 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,0,0|1,0,1]=3 825 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,0,0|1,0,1]=3 826 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,0,0|1,0,1]=3 827 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,0,0|1,0,1]=3 828 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,0,0|1,0,1]=3 829 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,0,0|1,0,1]=3 830 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,0,0|1,0,1]=3 831 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,0,0|1,0,1]=3 832 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [0,1,0,0,0,0|2,0,1]=4 834 B11R1.222 COC(C)c1ccncc1F 34a_100012180158_200000210301 [0,1,0,0,0,0|2,0,1]=4 835 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [0,1,0,0,0,0|2,0,1]=4 836 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,1,0,0,0,0|2,0,1]=4 837 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,1,0,0,0,0|1,1,1]=4 838 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,1,0,0,0,0|1,1,1]=4 839 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,1,0,0,0,0|1,1,1]=4 840 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,1,0,0,0,0|1,1,1]=4 841 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,0,0|2,0,1]=4 842 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [0,1,0,0,0,0|2,0,1]=4 843 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|2,0,0]=3 844 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,1,0,0,0,0|2,0,1]=4 845 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,1,0,0,0,0|2,0,1]=4 846 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,0,0|1,0,1]=3 847 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,0,0|1,0,1]=3 848 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|2,0,0]=3 850 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|2,0,0]=3 852 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|2,0,0]=3 853 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|2,0,0]=3 854 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|2,0,0]=3 855 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,0,1,0,0,0|2,0,1]=4 856 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,0,1,0,0,0|2,0,1]=4 857 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,0,1,0,0,0|2,0,1]=4 858 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|2,0,1]=4 859 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|2,0,1]=4 860 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|2,0,1]=4 861 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|2,0,1]=4 862 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|1,1,1]=4 863 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|1,1,1]=4 864 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|1,1,1]=4 865 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|1,1,1]=4 866 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,0,0,0,1,0|2,0,1]=4 867 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,0,0,0,1,0|2,0,1]=4 868 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,0,0,0,1,0|2,0,1]=4 869 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,0,0,0,1,0|2,0,1]=4 870 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,0,0,1,0|2,0,1]=4 871 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,0,0,1,0|2,0,1]=4 872 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,1,0|2,0,1]=4 873 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,1,0|2,0,1]=4 874 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,0,0,1,0|2,0,1]=4 875 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,0,0,1,0|2,0,1]=4 876 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,1|1,0,1]=3 877 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,0,0,0,0,1|2,0,1]=4 878 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,0,0,0,0,1|2,0,1]=4 879 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,0,0,0,0,1|2,0,1]=4 880 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,1|1,0,1]=3 881 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,0,0,0,1|2,0,1]=4 882 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,0,0,0,1|2,0,1]=4 883 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,0,0,0,0,1|2,0,1]=4 884 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,1|1,0,1]=3 885 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,1|1,0,1]=3 886 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,1|1,0,1]=3 887 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,1|1,0,1]=3 888 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,1|1,1,1]=4 889 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,1|1,1,1]=4 890 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,1|2,0,0]=3 891 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,1|1,0,0]=2 892 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,1|2,0,0]=3 893 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,1|2,0,0]=3 894 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,1|2,0,0]=3 895 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,1|2,0,0]=3 896 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,0,0,0,0,1|3,0,0]=4 897 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,1|2,0,0]=3 898 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,0,0,0,0,1|3,0,0]=4 899 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,0,0,0,0,1|3,0,0]=4 900 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,0,0,0,0,1|3,0,0]=4 901 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,0,0,0,0,1|3,0,0]=4 902 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 903 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 904 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 905 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,1|1,0,0]=2 906 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,1|2,0,1]=4 907 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,1|2,0,1]=4 908 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,1|2,0,1]=4 909 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,1|2,0,1]=4 910 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,1|2,0,1]=4 911 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,0,1|3,0,0]=4 912 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,0,1|3,0,0]=4 913 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,0,1|3,0,0]=4 914 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,0,1|3,0,0]=4 915 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,0,1|3,0,0]=4 916 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,0,1|3,0,0]=4 917 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,0,1|3,0,0]=4 918 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,0,1|3,0,0]=4 919 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,0,0,0,1|2,0,0]=3 920 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,0,0,0,1|2,0,0]=3 921 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,0,0,0,1|2,0,0]=3 922 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,1|2,0,0]=3 923 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,1|2,0,0]=3 924 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,1|2,0,0]=3 925 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,1|2,0,0]=3 926 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,1|2,0,0]=3 927 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,1|2,0,0]=3 928 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,1|3,0,0]=4 929 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,1|3,0,0]=4 930 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,1|3,0,0]=4 931 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,0,0,0,0,1|3,0,0]=4 932 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,0,0,0,0,1|3,0,0]=4 933 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,0,0,0,0,1|3,0,0]=4 934 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,1|1,0,0]=2 935 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,1|2,0,1]=4 936 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,1|2,0,1]=4 937 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,1|1,0,1]=3 938 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,1|1,0,1]=3 939 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,1|1,0,1]=3 940 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,1|1,0,1]=3 941 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,1|1,0,1]=3 942 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,0,0,0,0,1|2,0,1]=4 943 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,0,0,0,0,1|2,0,1]=4 944 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [0,0,0,0,0,1|2,0,1]=4 945 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [0,0,0,0,0,1|2,0,1]=4 946 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [0,0,0,0,0,1|2,0,1]=4 947 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [0,0,0,0,0,1|2,0,1]=4 948 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,1|1,1,1]=4 949 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,1|1,1,1]=4 950 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,0,0,0,0,1|3,0,0]=4 951 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,0,0,0,1|3,0,0]=4 952 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,1|3,0,0]=4 953 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,1|2,0,0]=3 954 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,0,0,0,1|3,0,0]=4 955 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,1|3,0,0]=4 956 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,0,0,0,0,1|3,0,0]=4 957 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,1|2,0,0]=3 958 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,1|2,0,0]=3 959 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,1,0,0,0|1,0,1]=4 960 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|1,0,1]=4 961 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 962 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 963 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 964 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 965 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 966 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 967 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 968 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 969 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 970 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 971 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 972 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 973 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 974 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 975 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 976 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 977 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 978 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 979 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 980 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 981 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 982 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 983 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 984 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 985 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 986 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 987 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 988 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 989 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 990 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 991 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 992 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 993 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 994 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 995 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 996 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 997 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 998 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 999 B10R0.83 C=CCOCC(=C)C(=O)OC 34a_200000210373_100009813391 [0,1,1,0,0,0|0,0,2]=4 1000 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100000210623_100009813391 [0,1,1,0,0,0|0,0,2]=4 1001 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100009813391_100000210623 [0,1,1,0,0,0|0,0,2]=4 1002 B10R0.18 C=CC=CC(=O)CC(=O)CC 1458a_100016291481_100000747405 [0,1,1,0,0,0|1,0,1]=4 1003 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,1,1,0,0,0|1,0,1]=4 1004 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,1,1,0,0,0|0,0,1]=3 1005 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,1,1,0,0,0|0,0,2]=4 1006 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,1,1,0,0,0|0,0,2]=4 1007 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,1,1,0,0,0|0,0,2]=4 1008 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,1,1,0,0,0|0,0,2]=4 1009 B10R0.108 C=CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210623 [0,1,1,0,0,0|1,0,1]=4 1010 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|0,0,0]=2 1031 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|0,0,0]=2 1032 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|0,0,0]=2 1033 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|0,0,0]=2 1034 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|0,0,0]=2 1035 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|0,0,0]=2 1036 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|0,0,0]=2 1037 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|1,0,1]=4 1043 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|0,0,2]=4 1044 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|0,0,0]=2 1077 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|0,0,0]=2 1088 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|0,0,0]=2 1089 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|0,0,0]=2 1090 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|0,0,0]=2 1091 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|0,0,0]=2 1092 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|1,0,0]=3 1100 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|1,0,0]=3 1101 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|0,0,0]=2 1126 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|0,0,0]=2 1127 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|0,0,0]=2 1128 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|0,0,0]=2 1129 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|0,0,0]=2 1130 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|0,0,0]=2 1131 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|0,0,0]=2 1132 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|0,0,0]=2 1133 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|0,0,2]=4 1141 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1160 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|0,0,0]=2 1166 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|1,0,0]=3 1173 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|1,0,1]=4 1178 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|0,0,0]=2 1179 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|0,0,0]=2 1180 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|0,0,0]=2 1181 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|0,0,0]=2 1182 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|0,0,0]=2 1183 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|0,0,0]=2 1184 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|1,0,0]=3 1194 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|1,0,0]=3 1195 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|1,0,0]=3 1197 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|1,0,0]=3 1199 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|1,0,0]=3 1200 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|1,0,0]=3 1201 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [1,1,0,0,0,0|2,0,0]=4 1207 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|0,0,0]=2 1219 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|0,0,0]=2 1220 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|0,0,0]=2 1221 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|0,0,0]=2 1222 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|0,0,0]=2 1223 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|0,0,0]=2 1224 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|0,0,0]=2 1225 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|1,0,0]=3 1229 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|0,0,2]=4 1232 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|1,0,0]=3 1264 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|0,0,0]=2 1265 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|1,0,0]=3 1273 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|0,0,0]=2 1278 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|0,0,0]=2 1279 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|0,0,0]=2 1280 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|0,0,0]=2 1281 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|0,0,0]=2 1282 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,0]=3 1283 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|1,0,1]=4 1284 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|1,0,1]=4 1287 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,0]=3 1292 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,0]=3 1293 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,0]=3 1294 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,0]=3 1295 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,0]=3 1296 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 1309 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 1343 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,1]=4 1346 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 1347 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,1]=4 1348 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 1349 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,1]=4 1350 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1351 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 1352 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,1]=4 1353 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1355 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,1]=4 1358 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 1359 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,1]=4 1360 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,1]=4 1363 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,1]=4 1364 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,1]=4 1365 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1366 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 1367 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,1]=4 1368 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 1369 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,1]=4 1372 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,1]=4 1376 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 1377 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,1]=4 1378 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 1379 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [1,1,0,0,0,0|1,0,1]=4 1380 B10R1.1 COCc1cc[n+](cc1)[O-] 34a_100000031831_200000210301 [1,1,0,0,0,0|1,0,1]=4 1381 B10R1.1 COCc1cc[n+](cc1)[O-] 7a_100000031831_200000210301 [1,1,0,0,0,0|1,0,1]=4 1382 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [1,1,0,0,0,0|1,0,1]=4 1383 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|0,0,1]=3 1384 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|0,0,1]=3 1385 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|0,0,1]=3 1386 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|0,0,1]=3 1387 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|0,0,1]=3 1388 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|0,0,1]=3 1389 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|0,0,1]=3 1390 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|0,0,1]=3 1391 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|0,0,1]=3 1392 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|0,0,1]=3 1393 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|0,0,1]=3 1394 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|0,0,1]=3 1395 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|0,0,1]=3 1396 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|0,0,1]=3 1397 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|0,0,1]=3 1398 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|0,0,1]=3 1399 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [1,1,0,0,0,0|1,0,1]=4 1400 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [1,1,0,0,0,0|1,0,1]=4 1401 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,1,0,0,0,0|1,0,1]=4 1402 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1404 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,1,0,0,0,0|1,0,1]=4 1405 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [1,1,0,0,0,0|1,0,1]=4 1406 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [1,1,0,0,0,0|1,0,1]=4 1407 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [1,1,0,0,0,0|1,0,1]=4 1408 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [1,1,0,0,0,0|1,0,1]=4 1409 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [1,1,0,0,0,0|1,0,1]=4 1410 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [1,1,0,0,0,0|1,0,1]=4 1411 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [1,1,0,0,0,0|1,0,1]=4 1412 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [1,1,0,0,0,0|1,0,1]=4 1413 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1414 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [1,1,0,0,0,0|1,0,1]=4 1415 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1416 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [1,1,0,0,0,0|1,0,1]=4 1417 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|0,1,1]=4 1420 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|0,1,1]=4 1421 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|0,1,1]=4 1422 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|0,1,1]=4 1423 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|0,1,1]=4 1424 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|0,1,1]=4 1425 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|0,1,1]=4 1426 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|0,1,1]=4 1427 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|0,1,1]=4 1428 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|0,1,1]=4 1429 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [1,1,0,0,0,0|1,0,1]=4 1430 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1431 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|0,0,1]=3 1433 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|0,0,1]=3 1434 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|0,1,1]=4 1435 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|0,1,1]=4 1436 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 1443 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 1447 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 34a_100000031831_200025704644 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 7a_100000031831_200025704644 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|0,0,1]=3 1452 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|0,0,1]=3 1453 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|0,0,1]=3 1454 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|0,0,1]=3 1455 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|0,0,1]=3 1456 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|0,0,1]=3 1457 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|0,0,1]=3 1458 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|0,0,1]=3 1459 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [1,1,0,0,0,0|1,0,1]=4 1465 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1466 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1467 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [1,1,0,0,0,0|1,0,1]=4 1468 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [1,1,0,0,0,0|1,0,1]=4 1469 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|0,1,1]=4 1470 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|0,1,1]=4 1471 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|0,1,1]=4 1472 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|0,1,1]=4 1473 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|0,1,1]=4 1474 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|0,1,1]=4 1475 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|0,1,1]=4 1476 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|0,1,1]=4 1477 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|1,0,1]=4 1478 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|1,0,1]=4 1479 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|1,0,1]=4 1480 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|1,0,1]=4 1481 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|1,0,1]=4 1482 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|1,0,1]=4 1483 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,0]=3 1489 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,0]=3 1490 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,0]=3 1491 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,0]=3 1492 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,0]=3 1493 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,0]=3 1494 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.4 CC=Cc1ccncc1Br 271570a_100016259895_100000726257 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.4 CC=Cc1ccncc1F 271570a_100016259895_100000047030 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|2,0,0]=4 1548 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,1]=4 1561 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,1]=4 1562 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,1]=4 1564 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 1565 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 1566 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,1]=4 1567 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,1]=4 1568 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 1569 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,1]=4 1570 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 1571 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,1]=4 1572 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 1573 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,1]=4 1574 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,1]=4 1575 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,1]=4 1576 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 1577 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,1]=4 1578 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 1579 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,1]=4 1581 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 1582 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 1583 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 1584 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|0,0,1]=3 1585 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|0,0,1]=3 1586 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|0,0,1]=3 1587 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|0,0,1]=3 1588 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|0,0,1]=3 1589 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|0,0,1]=3 1590 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|0,0,1]=3 1591 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|0,0,1]=3 1592 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|0,0,1]=3 1593 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|0,0,1]=3 1594 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|0,0,1]=3 1595 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|0,0,1]=3 1596 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|0,0,1]=3 1597 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|0,0,1]=3 1598 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|0,0,1]=3 1599 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|0,0,1]=3 1600 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|0,0,1]=3 1601 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,1,0,0,0,0|1,0,1]=4 1602 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,1,0,0,0,0|1,0,1]=4 1603 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,1,0,0,0,0|1,0,1]=4 1604 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1605 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|1,0,1]=4 1606 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1607 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,1,0,0,0,0|1,0,1]=4 1608 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,1,0,0,0,0|1,0,1]=4 1609 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,1,0,0,0,0|1,0,1]=4 1610 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,1,0,0,0,0|1,0,1]=4 1611 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,1,0,0,0,0|1,0,1]=4 1612 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,1,0,0,0,0|1,0,1]=4 1613 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.4 COCc1ccncc1F 34a_100012172863_200000210301 [1,1,0,0,0,0|1,0,1]=4 1616 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,1,0,0,0,0|1,0,1]=4 1617 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,1,0,0,0,0|1,0,1]=4 1618 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [1,1,0,0,0,0|1,0,1]=4 1619 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|1,0,1]=4 1620 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|1,0,1]=4 1621 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|1,0,1]=4 1623 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|1,0,1]=4 1625 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|1,0,1]=4 1626 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|1,0,1]=4 1627 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,0,1]=4 1628 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|0,1,1]=4 1629 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|0,1,1]=4 1630 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|0,1,1]=4 1631 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|0,1,1]=4 1632 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|0,1,1]=4 1633 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|0,1,1]=4 1634 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|0,1,1]=4 1635 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|0,1,1]=4 1636 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|0,1,1]=4 1637 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|0,1,1]=4 1638 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|0,1,1]=4 1639 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,1]=4 1640 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|0,0,1]=3 1641 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|0,0,1]=3 1642 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|0,1,1]=4 1643 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|0,1,1]=4 1644 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|1,0,1]=4 1645 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,1,0,0,0,0|1,0,1]=4 1646 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [1,1,0,0,0,0|1,0,1]=4 1647 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1648 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1649 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 1650 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 1651 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 1652 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 1653 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 1655 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|0,0,1]=3 1656 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|0,0,1]=3 1657 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|0,0,1]=3 1658 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|0,0,1]=3 1659 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|0,0,1]=3 1660 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|0,0,1]=3 1661 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|0,0,1]=3 1662 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|0,0,1]=3 1663 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|0,0,1]=3 1664 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,1,0,0,0,0|1,0,1]=4 1665 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,1,0,0,0,0|1,0,1]=4 1666 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,1,0,0,0,0|1,0,1]=4 1667 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,1,0,0,0,0|1,0,1]=4 1668 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,1,0,0,0,0|1,0,1]=4 1669 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,1,0,0,0,0|1,0,1]=4 1670 B10R1.4 [13CH3]OCc1ccncc1F 34a_100012172863_200025704644 [1,1,0,0,0,0|1,0,1]=4 1671 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [1,1,0,0,0,0|1,0,1]=4 1672 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|1,0,1]=4 1673 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|1,0,1]=4 1674 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|1,0,1]=4 1675 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|1,0,1]=4 1676 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|0,1,1]=4 1677 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|0,1,1]=4 1678 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|0,1,1]=4 1679 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|0,1,1]=4 1680 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|0,1,1]=4 1681 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|0,1,1]=4 1682 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|0,1,1]=4 1683 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|0,1,1]=4 1684 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|1,0,1]=4 1685 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|1,0,1]=4 1686 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|1,0,1]=4 1687 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|1,0,1]=4 1688 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|1,0,1]=4 1689 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|1,0,1]=4 1690 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|1,0,1]=4 1691 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,1]=4 1692 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [1,1,0,0,0,0|2,0,0]=4 1701 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,0]=3 1702 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,0]=3 1703 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,0]=3 1704 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,0]=3 1705 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,0]=3 1706 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,0]=3 1707 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,0]=3 1708 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.10 CC=Cc1ccnc(c1)Br 271570a_100016259895_100009814637 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.10 CC=Cc1ccnc(c1)Cl 271570a_100016259895_100000035001 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.10 CC=Cc1ccnc(c1)F 271570a_100016259895_100009816116 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.10 CC=Cc1ccnc(c1)N 271570a_100016259895_100000744379 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [1,1,0,0,0,0|2,0,0]=4 1721 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 1724 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|2,0,0]=4 1730 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|2,0,0]=4 1731 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 1733 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 1734 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 1735 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 1736 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 1737 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 1738 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 1739 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 1740 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 1741 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 1742 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1743 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|2,0,0]=4 1754 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|2,0,0]=4 1755 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,1]=4 1759 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1760 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,1]=4 1761 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,1]=4 1762 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,1]=4 1763 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1764 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,1]=4 1765 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,1]=4 1766 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,1]=4 1767 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 1768 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 1769 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,1]=4 1770 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 1771 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,1]=4 1772 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 1773 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,1]=4 1774 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 1775 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,1]=4 1776 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,1]=4 1777 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 1778 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,1]=4 1779 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,1]=4 1780 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,1]=4 1781 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 1782 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 1783 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,1]=4 1784 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 1785 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,1]=4 1786 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 1787 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,1]=4 1788 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 1789 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 1790 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,1]=4 1791 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 1792 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,1]=4 1793 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 1794 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 1795 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1796 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 1797 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 1798 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 1799 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 1801 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 1802 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [1,1,0,0,0,0|1,0,1]=4 1803 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [1,1,0,0,0,0|1,0,1]=4 1804 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [1,1,0,0,0,0|1,0,1]=4 1805 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [1,1,0,0,0,0|1,0,1]=4 1806 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [1,1,0,0,0,0|1,0,1]=4 1807 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [1,1,0,0,0,0|1,0,1]=4 1808 B10R1.10 COCc1ccc[n+](c1)[O-] 34a_100000037817_200000210301 [1,1,0,0,0,0|1,0,1]=4 1809 B10R1.10 COCc1ccc[n+](c1)[O-] 7a_100000037817_200000210301 [1,1,0,0,0,0|1,0,1]=4 1810 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|0,0,1]=3 1811 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|0,0,1]=3 1812 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|0,0,1]=3 1813 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|0,0,1]=3 1814 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|0,0,1]=3 1815 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|0,0,1]=3 1816 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|0,0,1]=3 1817 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|0,0,1]=3 1818 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|0,0,1]=3 1819 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|0,0,1]=3 1820 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|0,0,1]=3 1821 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|0,0,1]=3 1822 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|0,0,1]=3 1823 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|0,0,1]=3 1824 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|0,0,1]=3 1825 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|0,0,1]=3 1826 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|0,0,1]=3 1827 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|0,0,1]=3 1828 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [1,1,0,0,0,0|1,0,1]=4 1829 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [1,1,0,0,0,0|1,0,1]=4 1830 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [1,1,0,0,0,0|1,0,1]=4 1831 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [1,1,0,0,0,0|1,0,1]=4 1832 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [1,1,0,0,0,0|1,0,1]=4 1833 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [1,1,0,0,0,0|1,0,1]=4 1834 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [1,1,0,0,0,0|1,0,1]=4 1835 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [1,1,0,0,0,0|1,0,1]=4 1836 B10R1.10 COCc1ccnc(c1)Br 34a_100009814636_200000210301 [1,1,0,0,0,0|1,0,1]=4 1837 B10R1.10 COCc1ccnc(c1)Br 34a_100138415774_100010243470 [1,1,0,0,0,0|1,0,1]=4 1838 B10R1.10 COCc1ccnc(c1)Br 7a_100009814636_200000210301 [1,1,0,0,0,0|1,0,1]=4 1839 B10R1.10 COCc1ccnc(c1)C 34a_100011998630_200000210301 [1,1,0,0,0,0|1,0,1]=4 1840 B10R1.10 COCc1ccnc(c1)C 34a_100138415774_200020672517 [1,1,0,0,0,0|1,0,1]=4 1841 B10R1.10 COCc1ccnc(c1)Cl 34a_100000748751_200000210301 [1,1,0,0,0,0|1,0,1]=4 1842 B10R1.10 COCc1ccnc(c1)Cl 34a_100138415774_100000764220 [1,1,0,0,0,0|1,0,1]=4 1843 B10R1.10 COCc1ccnc(c1)F 34a_100000082451_200000210301 [1,1,0,0,0,0|1,0,1]=4 1844 B10R1.10 COCc1cncc(c1)Br 34a_100011259137_200000210301 [1,1,0,0,0,0|1,0,1]=4 1845 B10R1.10 COCc1cncc(c1)Br 34a_100138415774_100000738771 [1,1,0,0,0,0|1,0,1]=4 1846 B10R1.10 COCc1cncc(c1)Br 7a_100011259137_200000210301 [1,1,0,0,0,0|1,0,1]=4 1847 B10R1.10 COCc1cncc(c1)C 34a_100011998709_200000210301 [1,1,0,0,0,0|1,0,1]=4 1848 B10R1.10 COCc1cncc(c1)C 34a_100138415774_100000716715 [1,1,0,0,0,0|1,0,1]=4 1849 B10R1.10 COCc1cncc(c1)C 7a_100011998709_200000210301 [1,1,0,0,0,0|1,0,1]=4 1850 B10R1.10 COCc1cncc(c1)Cl 34a_100000092867_200000210301 [1,1,0,0,0,0|1,0,1]=4 1851 B10R1.10 COCc1cncc(c1)Cl 34a_100138415774_100016992070 [1,1,0,0,0,0|1,0,1]=4 1852 B10R1.10 COCc1cncc(c1)Cl 7a_100000092867_200000210301 [1,1,0,0,0,0|1,0,1]=4 1853 B10R1.10 COCc1cncc(c1)F 34a_100011962875_200000210301 [1,1,0,0,0,0|1,0,1]=4 1854 B10R1.10 COCc1cncc(c1)F 34a_100138415774_100000725299 [1,1,0,0,0,0|1,0,1]=4 1855 B10R1.10 COCc1cncc(c1)F 7a_100011962875_200000210301 [1,1,0,0,0,0|1,0,1]=4 1856 B10R1.10 COCc1cncc(c1)N 34a_100000085308_200000210301 [1,1,0,0,0,0|1,0,1]=4 1857 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|0,1,1]=4 1858 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|0,1,1]=4 1859 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|0,1,1]=4 1860 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|0,1,1]=4 1861 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|0,1,1]=4 1862 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|0,1,1]=4 1863 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|0,1,1]=4 1864 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|0,1,1]=4 1865 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|0,1,1]=4 1866 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|0,1,1]=4 1867 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|0,1,1]=4 1868 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|0,1,1]=4 1869 B10R1.10 Cc1cc(ccn1)CO[13CH3] 34a_100011998630_200025704644 [1,1,0,0,0,0|1,0,1]=4 1870 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 1871 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 1872 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|0,0,1]=3 1873 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|0,0,1]=3 1874 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|0,1,1]=4 1875 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|0,1,1]=4 1876 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [1,1,0,0,0,0|1,0,1]=4 1877 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [1,1,0,0,0,0|1,0,1]=4 1878 B10R1.10 Cc1cncc(c1)CO[13CH3] 34a_100011998709_200025704644 [1,1,0,0,0,0|1,0,1]=4 1879 B10R1.10 Cc1cncc(c1)CO[13CH3] 7a_100011998709_200025704644 [1,1,0,0,0,0|1,0,1]=4 1880 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1881 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1882 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 1883 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 1884 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 1885 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 1886 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 1887 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 1888 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1889 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1890 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [1,1,0,0,0,0|1,0,1]=4 1891 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [1,1,0,0,0,0|1,0,1]=4 1892 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 34a_100000037817_200025704644 [1,1,0,0,0,0|1,0,1]=4 1893 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 7a_100000037817_200025704644 [1,1,0,0,0,0|1,0,1]=4 1894 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|0,0,1]=3 1895 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|0,0,1]=3 1896 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|0,0,1]=3 1897 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|0,0,1]=3 1898 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|0,0,1]=3 1899 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|0,0,1]=3 1900 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|0,0,1]=3 1901 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|0,0,1]=3 1902 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|0,0,1]=3 1903 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [1,1,0,0,0,0|1,0,1]=4 1904 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [1,1,0,0,0,0|1,0,1]=4 1905 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [1,1,0,0,0,0|1,0,1]=4 1906 B10R1.10 [13CH3]OCc1ccnc(c1)Br 34a_100009814636_200025704644 [1,1,0,0,0,0|1,0,1]=4 1907 B10R1.10 [13CH3]OCc1ccnc(c1)Br 7a_100009814636_200025704644 [1,1,0,0,0,0|1,0,1]=4 1908 B10R1.10 [13CH3]OCc1ccnc(c1)Cl 34a_100000748751_200025704644 [1,1,0,0,0,0|1,0,1]=4 1909 B10R1.10 [13CH3]OCc1ccnc(c1)F 34a_100000082451_200025704644 [1,1,0,0,0,0|1,0,1]=4 1910 B10R1.10 [13CH3]OCc1cncc(c1)Br 34a_100011259137_200025704644 [1,1,0,0,0,0|1,0,1]=4 1911 B10R1.10 [13CH3]OCc1cncc(c1)Br 7a_100011259137_200025704644 [1,1,0,0,0,0|1,0,1]=4 1912 B10R1.10 [13CH3]OCc1cncc(c1)Cl 34a_100000092867_200025704644 [1,1,0,0,0,0|1,0,1]=4 1913 B10R1.10 [13CH3]OCc1cncc(c1)Cl 7a_100000092867_200025704644 [1,1,0,0,0,0|1,0,1]=4 1914 B10R1.10 [13CH3]OCc1cncc(c1)F 34a_100011962875_200025704644 [1,1,0,0,0,0|1,0,1]=4 1915 B10R1.10 [13CH3]OCc1cncc(c1)F 7a_100011962875_200025704644 [1,1,0,0,0,0|1,0,1]=4 1916 B10R1.10 [13CH3]OCc1cncc(c1)N 34a_100000085308_200025704644 [1,1,0,0,0,0|1,0,1]=4 1917 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|0,1,1]=4 1918 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|0,1,1]=4 1919 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|0,1,1]=4 1920 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|0,1,1]=4 1921 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|0,1,1]=4 1922 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|0,1,1]=4 1923 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|0,1,1]=4 1924 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|0,1,1]=4 1925 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|0,1,1]=4 1926 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|0,1,1]=4 1927 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|2,0,0]=4 1928 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,1]=4 1929 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,1]=4 1930 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 1931 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 1932 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|1,0,1]=4 1933 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|1,0,1]=4 1934 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1935 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1936 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,1]=4 1937 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1938 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1939 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|0,0,1]=3 1940 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|0,0,1]=3 1941 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|0,0,1]=3 1942 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,1,0,0,0,0|1,0,1]=4 1943 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,1,0,0,0,0|1,0,1]=4 1944 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|0,1,1]=4 1945 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|0,1,1]=4 1946 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1947 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1948 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1949 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|1,0,1]=4 1950 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1951 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|1,0,1]=4 1952 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|0,0,1]=3 1953 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|0,0,1]=3 1954 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|0,0,1]=3 1955 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,1,0,0,0,0|1,0,1]=4 1956 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,1,0,0,0,0|1,0,1]=4 1957 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,1,0,0,0,0|1,0,1]=4 1958 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|0,0,1]=3 1959 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|0,0,1]=3 1960 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,1,0,0,0,0|1,0,1]=4 1961 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,1,0,0,0,0|1,0,1]=4 1962 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,1,0,0,0,0|1,0,1]=4 1963 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,1,0,0,0,0|1,0,1]=4 1964 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [1,1,0,0,0,0|1,0,1]=4 1965 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [1,1,0,0,0,0|1,0,1]=4 1966 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|0,1,1]=4 1967 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|0,1,1]=4 1968 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|0,1,1]=4 1969 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|0,1,1]=4 1970 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|0,1,1]=4 1971 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|0,1,1]=4 1972 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|0,1,1]=4 1973 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|0,1,1]=4 1974 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|2,0,0]=4 1975 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|2,0,0]=4 1976 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|2,0,0]=4 1977 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|2,0,0]=4 1978 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|2,0,0]=4 1979 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|1,0,1]=4 1980 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|0,0,1]=3 1981 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|0,0,1]=3 1982 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|0,1,1]=4 1983 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|0,1,1]=4 1984 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|2,0,0]=4 1985 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|2,0,0]=4 1986 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|2,0,0]=4 1989 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1990 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1991 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|0,0,1]=3 1992 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|0,0,1]=3 1993 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,1,0,0,0,0|1,0,1]=4 1994 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,1,0,0,0,0|1,0,1]=4 1995 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,1,0,0,0,0|1,0,1]=4 1996 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|0,1,1]=4 1997 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|0,1,1]=4 1998 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|0,1,1]=4 1999 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|0,1,1]=4 2000 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,0]=3 2001 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,1,0,0,0,0|2,0,0]=4 2002 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,1,0,0,0,0|2,0,0]=4 2003 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,1,0,0,0,0|2,0,0]=4 2004 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|1,0,1]=4 2005 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|2,0,0]=4 2006 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|2,0,0]=4 2007 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|2,0,0]=4 2008 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|2,0,0]=4 2009 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|2,0,0]=4 2010 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 2011 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 2012 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|2,0,0]=4 2013 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|2,0,0]=4 2014 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 2015 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,1]=4 2016 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 2017 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,1]=4 2018 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,1]=4 2019 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 2020 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 2021 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,1,0|2,0,0]=4 2022 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,1,0|2,0,0]=4 2023 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,1,0|2,0,0]=4 2024 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,1,0|2,0,0]=4 2025 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,1,0|2,0,0]=4 2026 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,1,0|2,0,0]=4 2027 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,1,0|2,0,0]=4 2028 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,1,0,0,1,0|1,0,0]=3 2029 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,1,0,0,1,0|1,1,0]=4 2030 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,1,0,0,1,0|1,1,0]=4 2031 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,1,0|1,1,0]=4 2032 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,1,0|1,1,0]=4 2033 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,1,0|1,1,0]=4 2034 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,1,0|1,1,0]=4 2035 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,1,0,0,1,0|1,1,0]=4 2036 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,1,0,0,1,0|1,1,0]=4 2037 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,1,0,0,1,0|1,1,0]=4 2038 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,1,0,0,1,0|1,1,0]=4 2039 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,1,0|1,1,0]=4 2040 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,1,0|1,1,0]=4 2041 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,1,0|1,1,0]=4 2042 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,1,0|1,1,0]=4 2043 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,1,0,0,1,0|1,1,0]=4 2044 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,1,0,0,1,0|1,1,0]=4 2045 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,1,0|2,0,0]=4 2046 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,1,0|2,0,0]=4 2047 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,1,0|2,0,0]=4 2048 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,1,0|1,0,0]=3 2049 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,1,0|2,0,0]=4 2050 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,1,0|1,0,0]=3 2051 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,1,0|1,0,0]=3 2052 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,1,0|1,0,0]=3 2053 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,1,0|1,0,0]=3 2054 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,1,0|1,0,0]=3 2055 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,1,0|2,0,0]=4 2056 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,1,0|2,0,0]=4 2057 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,1,0|2,0,0]=4 2058 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,1,0|1,0,0]=3 2059 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,1,0|2,0,0]=4 2060 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,1,0|2,0,0]=4 2061 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,1,0|2,0,0]=4 2062 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,1,0|1,0,0]=3 2063 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,1,0,0,1,0|2,0,0]=4 2064 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,1,0,0,1,0|2,0,0]=4 2065 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,1,0|1,0,0]=3 2066 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,1,0|1,0,0]=3 2067 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,1,0|1,0,0]=3 2068 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,1,0|2,0,0]=4 2069 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,1,0|1,0,0]=3 2070 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,1,0|1,0,0]=3 2071 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,1,0|2,0,0]=4 2072 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,1,0,0,0,1|1,0,1]=4 2073 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,1,0,0,0,1|1,0,1]=4 2074 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,1,0,0,0,1|1,0,1]=4 2075 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,1|1,0,0]=3 2076 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,1|1,0,0]=3 2077 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,1|1,0,1]=4 2078 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2079 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2080 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2081 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,0,0,0,1|1,0,1]=4 2082 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,1,0,0,0,1|1,0,0]=3 2083 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,1,0,0,0,1|2,0,0]=4 2084 B12R1.32 CC#CC(=O)Cc1cccnc1 1458a_100000763181_100000733263 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.32 CC#CC(=O)Cc1ccncc1 1458a_100000763181_100000705612 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,1,0,0,0,1|1,0,0]=3 2087 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,1|1,0,1]=4 2088 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,1|1,0,1]=4 2089 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,0,0,0,1|1,0,1]=4 2090 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,0,0,0,1|1,0,1]=4 2091 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,1,0,0,0,1|1,0,1]=4 2092 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,1,0,0,0,1|1,0,1]=4 2093 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,1|1,0,0]=3 2094 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,1,0,0,0,1|2,0,0]=4 2095 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,1,0,0,0,1|2,0,0]=4 2096 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,1,0,0,0,1|2,0,0]=4 2097 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,0,0,0,1|1,0,0]=3 2098 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,0,0,0,1|1,0,0]=3 2099 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,0,0,0,1|1,0,0]=3 2100 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,1,0,0,0,1|2,0,0]=4 2101 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,1|1,0,0]=3 2102 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,1,0,0,0,1|2,0,0]=4 2103 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,1,0,0,0,1|2,0,0]=4 2104 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,0,0,0,1|2,0,0]=4 2105 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,0,0,0,1|2,0,0]=4 2106 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,1,0,0,0,1|2,0,0]=4 2107 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2108 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2109 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2110 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,0,0,0,1|1,0,0]=3 2111 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,1,0,0,0,1|2,0,0]=4 2112 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,1,0,0,0,1|2,0,0]=4 2113 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,1,0,0,0,1|2,0,0]=4 2114 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,1,0,0,0,1|2,0,0]=4 2117 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,1,0,0,0,1|2,0,0]=4 2118 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,1,0,0,0,1|2,0,0]=4 2119 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,1,0,0,0,1|2,0,0]=4 2120 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,0,0,0,1|1,0,0]=3 2121 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,1|1,0,1]=4 2122 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,1|1,0,1]=4 2123 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,1|1,0,1]=4 2124 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,1|1,0,0]=3 2125 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,1|1,0,0]=3 2126 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,0,0,0,1|1,0,0]=3 2127 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,0,0,0,1|1,0,0]=3 2128 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,0,0,0,1|1,0,0]=3 2129 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,1,0,0,0,1|2,0,0]=4 2130 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,1,0,0,0,1|2,0,0]=4 2131 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,1,0,0,0,1|2,0,0]=4 2132 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,0,0,0,1|1,0,0]=3 2134 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,0,0,0,1|1,0,0]=3 2135 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,0,0,0,1|1,0,0]=3 2136 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,1,0,0,0,1|2,0,0]=4 2137 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,1,0,0,0,1|2,0,0]=4 2138 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,1,0,0,0,1|2,0,0]=4 2139 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,1,0,0,0,1|2,0,0]=4 2140 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,1|1,0,0]=3 2141 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,1|1,0,0]=3 2142 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,1|0,0,0]=2 2143 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,0,0,0,1|1,0,0]=3 2144 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,1,0,0,0,1|1,0,0]=3 2145 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,1,0,0,0,1|2,0,0]=4 2146 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,1,0,0,0,1|1,0,0]=3 2147 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,1,0,0,0,1|2,0,0]=4 2148 B12R1.32 COCC(=O)Cc1cncnc1 1458a_100000210968_100015196519 [0,1,0,0,0,1|2,0,0]=4 2149 B12R1.32 COCC(=O)Cc1ncccn1 1458a_100000210968_100000703007 [0,1,0,0,0,1|2,0,0]=4 2150 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,0,0,0,1|0,0,0]=2 2151 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,0,0,0,1|0,0,0]=2 2152 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,0,0,0,1|0,0,0]=2 2153 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,0,0,0,1|0,0,0]=2 2154 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,0,0,0,1|0,0,0]=2 2155 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,0,0,0,1|0,0,0]=2 2156 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,0,0,0,1|0,0,0]=2 2157 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,1|1,0,1]=4 2158 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,1|1,0,1]=4 2159 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,1,0,0,0,1|1,0,1]=4 2160 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,0,0,0,1|1,0,1]=4 2161 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,0,0,0,1|1,0,1]=4 2162 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,0,0,0,1|1,0,1]=4 2163 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,0,0,0,1|1,0,1]=4 2164 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,1,0,0,0,1|1,0,1]=4 2165 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,1,0,0,0,1|1,0,1]=4 2166 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,0,0,1|1,0,1]=4 2167 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,1,0,0,0,1|2,0,0]=4 2168 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,1,0,0,0,1|2,0,0]=4 2169 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,1|0,0,2]=4 2170 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,1|0,1,0]=3 2171 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,1|0,1,0]=3 2172 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,1|0,1,0]=3 2173 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,1,0,0,0,1|1,1,0]=4 2174 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,1,0,0,0,1|1,1,0]=4 2175 B12R1.32 CSCC(=O)Cc1ccncc1 1458a_100000184570_100000705612 [0,1,0,0,0,1|1,1,0]=4 2176 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,1,0,0,0,1|0,1,0]=3 2177 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,1,0,0,0,1|0,1,0]=3 2178 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,1,0,0,0,1|0,1,0]=3 2179 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,1,0,0,0,1|0,1,0]=3 2180 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,1,0,0,0,1|0,1,0]=3 2181 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,1,0,0,0,1|0,1,0]=3 2182 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,1,0,0,0,1|1,1,0]=4 2183 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,1,0,0,0,1|1,1,0]=4 2184 B12R1.32 CSCC(=O)Nc1ccncc1 62a_200000210301_100000754145 [0,1,0,0,0,1|1,1,0]=4 2185 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,1,0,0,0,1|0,1,0]=3 2186 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,1,0,0,0,1|0,1,0]=3 2187 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,1,0,0,0,1|1,0,1]=4 2188 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,1,0,0,0,1|1,0,1]=4 2189 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,1,0,0,0,1|1,0,1]=4 2190 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,0,0,0,1|1,0,1]=4 2191 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,0,0,0,1|1,0,1]=4 2192 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,0,0,0,1|1,0,1]=4 2193 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,0,0,0,1|1,0,1]=4 2194 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,0,0,0,1|1,0,1]=4 2195 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,0,0,0,1|1,0,1]=4 2196 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,0,0,0,1|1,0,1]=4 2197 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,1,0,0,0,1|2,0,0]=4 2198 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,1,0,0,0,1|2,0,0]=4 2199 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,1,0,0,0,1|2,0,0]=4 2200 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,1|1,0,0]=3 2202 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,0,0,0,1|2,0,0]=4 2203 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,0,0,0,1|2,0,0]=4 2204 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,0,0,0,1|2,0,0]=4 2205 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,0,0,0,1|2,0,0]=4 2206 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,1,0,0,0,1|2,0,0]=4 2207 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,0,0,0,1|1,0,0]=3 2208 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,0,0,0,1|0,0,0]=2 2209 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,0,0,1|1,0,1]=4 2210 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,1|0,1,0]=3 2211 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,1|0,1,0]=3 2212 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,1,0,0,0,1|0,1,0]=3 2213 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,1,0,0,0,1|0,1,0]=3 2214 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,1,0,0,0,1|1,1,0]=4 2215 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,1,0,0,0,1|1,1,0]=4 2216 B12R1.32 [13CH3]SCC(=O)Nc1ccncc1 62a_200025704644_100000754145 [0,1,0,0,0,1|1,1,0]=4 2217 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,1,0,0,0,1|0,1,0]=3 2218 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,1,0,0,0,1|0,1,0]=3 2219 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,1,0,0,0,1|1,0,1]=4 2220 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,1|1,0,0]=3 2221 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,1|2,0,0]=4 2222 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,1|1,0,0]=3 2223 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,1|1,0,1]=4 2224 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,1|1,0,1]=4 2225 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,1|1,0,1]=4 2226 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,1|2,0,0]=4 2227 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,1|1,0,0]=3 2228 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,1,0,0,0,1|2,0,0]=4 2229 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,1|1,0,0]=3 2230 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,1|1,0,0]=3 2231 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,1|1,0,0]=3 2232 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,1|1,0,0]=3 2233 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,1|1,0,0]=3 2234 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,1|1,0,0]=3 2235 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,0,0,0,1|2,0,0]=4 2236 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,1,0,0,0,1|2,0,0]=4 2237 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,1,0,0,0,1|2,0,0]=4 2238 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,1,0,0,0,1|2,0,0]=4 2239 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,1,0,0,0,1|2,0,0]=4 2240 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,1|1,0,0]=3 2241 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,1|1,0,0]=3 2242 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,1|1,0,0]=3 2243 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,1|1,0,0]=3 2244 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,1|1,0,0]=3 2245 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,1|1,0,0]=3 2246 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,1|1,0,0]=3 2247 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,1|1,0,0]=3 2248 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,1|1,0,0]=3 2249 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,1|1,0,0]=3 2250 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,1,0,0,0,1|1,0,1]=4 2251 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,1|1,0,1]=4 2252 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,1|2,0,0]=4 2253 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,1|1,0,1]=4 2254 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,1|2,0,0]=4 2255 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,1|2,0,0]=4 2256 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,1|2,0,0]=4 2257 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,0,0,0,1|1,0,1]=4 2258 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,0,0,0,1|1,0,1]=4 2259 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,1|1,0,0]=3 2260 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,1,0,0,0,1|2,0,0]=4 2261 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,1,0,0,0,1|2,0,0]=4 2262 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,1,0,0,0,1|2,0,0]=4 2263 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,1|1,0,0]=3 2264 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,1|1,0,0]=3 2265 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,1|1,0,0]=3 2266 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,0,0,0,1|1,0,1]=4 2267 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,0,0,0,1|1,0,1]=4 2268 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,0,0,0,1|1,0,1]=4 2269 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,0,0,0,1|1,0,1]=4 2270 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,0,0,0,1|1,0,1]=4 2271 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,0,0,0,1|1,0,1]=4 2272 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,1|2,0,0]=4 2273 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,1|2,0,0]=4 2274 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,1|2,0,0]=4 2275 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|1,0,0]=3 2276 B12R1.43 CC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000210206 [0,1,0,0,0,1|2,0,0]=4 2277 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,1|1,0,0]=3 2278 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,1,0,0,0,1|2,0,0]=4 2279 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,1,0,0,0,1|2,0,0]=4 2280 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,1,0,0,0,1|2,0,0]=4 2281 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,1,0,0,0,1|2,0,0]=4 2282 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [0,1,0,0,0,1|2,0,0]=4 2283 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2284 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2285 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2286 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,0,0,0,1|1,0,0]=3 2287 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,1|1,0,0]=3 2288 B12R1.43 CC(F)C(=O)Cc1ccccn1 1458a_100000062450_100000721315 [0,1,0,0,0,1|2,0,0]=4 2289 B12R1.43 CC(F)C(=O)Cc1cccnc1 1458a_100000062450_100000733263 [0,1,0,0,0,1|2,0,0]=4 2290 B12R1.43 CC(F)C(=O)Cc1ccncc1 1458a_100000062450_100000705612 [0,1,0,0,0,1|2,0,0]=4 2291 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2292 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2293 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2294 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,0,0,0,1|1,0,0]=3 2295 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 11a_100102631434_200000086051 [0,1,0,0,0,1|2,0,0]=4 2296 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 240690a_100102631434_200000086051 [0,1,0,0,0,1|2,0,0]=4 2297 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 527a_100102631434_200000086051 [0,1,0,0,0,1|2,0,0]=4 2298 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,1,0,0,0,1|2,0,0]=4 2299 B12R1.43 CN(C)C(=O)Cc1cccnc1 11a_100102631434_100000737805 [0,1,0,0,0,1|2,0,0]=4 2300 B12R1.43 CN(C)C(=O)Cc1cccnc1 240690a_100102631434_100000737805 [0,1,0,0,0,1|2,0,0]=4 2301 B12R1.43 CN(C)C(=O)Cc1cccnc1 527a_100102631434_100000737805 [0,1,0,0,0,1|2,0,0]=4 2302 B12R1.43 CN(C)C(=O)Cc1ccncc1 11a_100102631434_100011201483 [0,1,0,0,0,1|2,0,0]=4 2303 B12R1.43 CN(C)C(=O)Cc1ccncc1 240690a_100102631434_100011201483 [0,1,0,0,0,1|2,0,0]=4 2304 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,0,0,0,1|1,0,0]=3 2305 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,1|1,0,0]=3 2306 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,1|2,0,0]=4 2307 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,1,0,0,0,1|2,0,0]=4 2308 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,1,0,0,0,1|2,0,0]=4 2309 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,1|1,0,0]=3 2310 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,1|1,0,0]=3 2311 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,1|2,0,0]=4 2312 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,1,0,0,0,1|2,0,0]=4 2313 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,1,0,0,0,1|2,0,0]=4 2314 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,1|1,0,0]=3 2315 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,1|1,0,0]=3 2316 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,1|2,0,0]=4 2317 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,1|2,0,0]=4 2318 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2319 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2320 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2321 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,1,0,0,0,1|2,0,0]=4 2322 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,0,0,0,1|2,0,0]=4 2323 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,1|2,0,0]=4 2324 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,1|2,0,0]=4 2325 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|1,0,0]=3 2326 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,1,0,0,0,1|1,0,1]=4 2327 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,1,0,0,0,1|1,0,1]=4 2328 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,1,0,0,0,1|1,0,1]=4 2329 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,1,0,0,0,1|1,0,1]=4 2330 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,1,0,0,0,1|1,0,1]=4 2331 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,1|1,0,1]=4 2332 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,1|1,0,1]=4 2333 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,1|1,0,1]=4 2334 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,1|1,0,1]=4 2335 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,1|1,0,1]=4 2336 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,1|1,0,1]=4 2337 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,1|1,0,1]=4 2338 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,1|1,0,1]=4 2339 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,1|1,0,1]=4 2340 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,1|1,0,1]=4 2341 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,1|1,0,1]=4 2342 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,1|1,0,1]=4 2343 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,1|1,0,1]=4 2344 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,1|1,0,1]=4 2345 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,1|1,0,1]=4 2346 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,1|1,0,1]=4 2347 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,1,0,0,0,1|1,0,1]=4 2348 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,1,0,0,0,1|1,0,1]=4 2349 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,1|1,0,0]=3 2350 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,1|1,0,0]=3 2351 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,1|1,0,0]=3 2352 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,1|1,0,0]=3 2353 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,1|1,0,0]=3 2354 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,1|1,0,0]=3 2355 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,1|1,0,0]=3 2356 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,1|1,0,0]=3 2357 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,1|1,0,0]=3 2358 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,1|1,0,0]=3 2359 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,1|1,0,0]=3 2360 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,1,0,0,0,1|2,0,0]=4 2361 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,1,0,0,0,1|2,0,0]=4 2363 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,1,0,0,0,1|2,0,0]=4 2366 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,1,0,0,0,1|2,0,0]=4 2367 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,1,0,0,0,1|2,0,0]=4 2368 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,1,0,0,0,1|2,0,0]=4 2369 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,1,0,0,0,1|2,0,0]=4 2372 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,1,0,0,0,1|2,0,0]=4 2373 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,1,0,0,0,1|2,0,0]=4 2374 B12R1.49 CCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210202 [0,1,0,0,0,1|2,0,0]=4 2375 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2376 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2377 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2378 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2379 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2380 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2381 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2382 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,1|1,0,0]=3 2383 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2384 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2385 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2386 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,1|1,0,0]=3 2387 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2388 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2389 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2390 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,0,1|1,0,0]=3 2391 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2392 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2393 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2394 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,0,1|1,0,0]=3 2395 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,1|1,0,0]=3 2396 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,1|1,0,0]=3 2397 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,1|1,0,0]=3 2398 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,1|1,0,0]=3 2399 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,1|1,0,0]=3 2400 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,1|1,0,0]=3 2401 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,1|1,0,0]=3 2402 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,1|1,0,0]=3 2403 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,1|1,0,0]=3 2404 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,1|1,0,0]=3 2405 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,1|1,0,0]=3 2406 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,1|1,0,0]=3 2407 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,1|1,0,0]=3 2408 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,1|1,0,0]=3 2409 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,1|1,0,0]=3 2410 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,1|1,0,0]=3 2411 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,1|1,0,0]=3 2412 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,1|1,0,0]=3 2413 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,1|1,0,0]=3 2414 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 2415 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 2416 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,1|1,0,0]=3 2417 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 2418 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,1,0,0,0,1|2,0,0]=4 2419 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,1,0,0,0,1|2,0,0]=4 2420 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,0,0,0,1|2,0,0]=4 2421 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,0,0,0,1|2,0,0]=4 2422 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,0,0,0,1|2,0,0]=4 2423 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,1,0,0,0,1|2,0,0]=4 2424 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,1,0,0,0,1|2,0,0]=4 2425 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,1,0,0,0,1|2,0,0]=4 2426 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,1,0,0,0,1|2,0,0]=4 2427 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,1,0,0,0,1|2,0,0]=4 2429 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,1,0,0,0,1|2,0,0]=4 2431 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,1,0,0,0,1|2,0,0]=4 2432 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,1,0,0,0,1|2,0,0]=4 2433 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,1,0,0,0,1|2,0,0]=4 2434 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,1,0,0,0,1|2,0,0]=4 2435 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,1,0,0,0,1|2,0,0]=4 2436 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,1,0,0,0,1|2,0,0]=4 2437 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,1,0,0,0,1|2,0,0]=4 2438 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,1,0,0,0,1|2,0,0]=4 2440 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,1,0,0,0,1|2,0,0]=4 2441 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,1|1,0,0]=3 2443 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,1|1,0,0]=3 2444 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,1|1,0,0]=3 2445 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,1|1,0,0]=3 2446 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,1|1,0,0]=3 2447 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,1|1,0,0]=3 2448 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,1|0,0,0]=2 2449 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,0,0,0,1|1,0,0]=3 2450 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,0,1|1,0,0]=3 2451 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,1|0,0,0]=2 2453 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,0,1|1,0,0]=3 2454 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,1,0,0,0,1|1,0,1]=4 2455 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,1,0,0,0,1|1,0,1]=4 2456 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [0,1,0,0,0,1|1,0,1]=4 2457 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [0,1,0,0,0,1|1,0,1]=4 2458 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [0,1,0,0,0,1|1,0,1]=4 2459 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [0,1,0,0,0,1|1,0,1]=4 2460 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [0,1,0,0,0,1|1,0,1]=4 2461 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [0,1,0,0,0,1|1,0,1]=4 2462 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [0,1,0,0,0,1|1,0,1]=4 2463 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [0,1,0,0,0,1|1,0,1]=4 2464 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [0,1,0,0,0,1|1,0,1]=4 2465 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [0,1,0,0,0,1|1,0,1]=4 2466 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,1,0,0,0,1|1,0,1]=4 2467 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,1,0,0,0,1|2,0,0]=4 2468 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,1|2,0,0]=4 2469 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 2470 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 2471 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,1,0,0,0,1|2,0,0]=4 2472 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,1|2,0,0]=4 2473 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,1|2,0,0]=4 2477 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,1|2,0,0]=4 2479 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,1|2,0,0]=4 2480 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,1|2,0,0]=4 2481 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,1|2,0,0]=4 2482 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,1|2,0,0]=4 2483 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,1|2,0,0]=4 2484 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,1|2,0,0]=4 2485 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,1|2,0,0]=4 2486 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,1|2,0,0]=4 2489 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,1,0,0,0,1|1,0,1]=4 2490 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,1,0,0,0,1|1,0,1]=4 2491 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,1,0,0,0,1|1,0,1]=4 2492 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,1,0,0,0,1|1,0,1]=4 2493 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,1,0,0,0,1|1,0,1]=4 2494 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,1,0,0,0,1|1,0,1]=4 2495 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,1|1,0,1]=4 2496 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,1|1,0,1]=4 2497 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,1|1,0,1]=4 2498 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,1|1,0,1]=4 2499 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,1|1,0,1]=4 2500 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,1|1,0,1]=4 2501 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,1|1,0,1]=4 2502 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,1|1,0,1]=4 2503 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,1|1,0,1]=4 2504 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,1|1,0,1]=4 2505 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,1|1,0,1]=4 2506 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,1|1,0,1]=4 2507 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,1|1,0,1]=4 2508 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,1|1,0,1]=4 2509 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,1|1,0,1]=4 2510 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,1|1,0,1]=4 2511 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,1|1,0,1]=4 2512 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,1|1,0,1]=4 2513 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,1,0,0,0,1|2,0,0]=4 2514 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,1,0,0,0,1|2,0,0]=4 2515 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,1,0,0,0,1|2,0,0]=4 2516 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,1|1,0,0]=3 2517 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,1|1,0,0]=3 2518 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|1,0,0]=3 2519 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|1,0,0]=3 2520 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,1|1,0,0]=3 2521 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,1|1,0,0]=3 2522 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,1|1,0,0]=3 2523 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,1|1,0,0]=3 2524 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,1|1,0,0]=3 2525 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,1|1,0,0]=3 2526 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,1|1,0,0]=3 2527 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,1|1,0,0]=3 2528 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,1,0,0,0,1|2,0,0]=4 2529 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,1,0,0,0,1|2,0,0]=4 2530 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,1,0,0,0,1|2,0,0]=4 2531 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,1,0,0,0,1|2,0,0]=4 2532 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,1,0,0,0,1|2,0,0]=4 2533 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,1,0,0,0,1|2,0,0]=4 2534 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,1,0,0,0,1|2,0,0]=4 2535 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,1,0,0,0,1|2,0,0]=4 2536 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100000210414_100010243470 [0,1,0,0,0,1|2,0,0]=4 2537 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210202 [0,1,0,0,0,1|2,0,0]=4 2538 B12R1.50 CCC(=O)Cc1ccnc(c1)C 1458a_100000210414_200020672517 [0,1,0,0,0,1|2,0,0]=4 2539 B12R1.50 CCC(=O)Cc1ccnc(c1)Cl 1458a_100000210414_100000764220 [0,1,0,0,0,1|2,0,0]=4 2540 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000210414_100011740620 [0,1,0,0,0,1|2,0,0]=4 2541 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210202 [0,1,0,0,0,1|2,0,0]=4 2542 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,1,0,0,0,1|2,0,0]=4 2543 B12R1.50 CCC(=O)Cc1cncc(c1)Cl 1458a_100000210414_100016992070 [0,1,0,0,0,1|2,0,0]=4 2544 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100000210414_100000725299 [0,1,0,0,0,1|2,0,0]=4 2545 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210202 [0,1,0,0,0,1|2,0,0]=4 2546 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2547 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2548 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2549 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,0,1|1,0,0]=3 2550 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2551 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2552 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2553 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|1,0,0]=3 2554 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 2555 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 2556 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,0,1|1,0,0]=3 2557 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2558 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2559 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2560 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,0,1|1,0,0]=3 2561 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2562 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2563 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2564 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2565 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2566 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2567 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2568 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,1|1,0,0]=3 2569 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,1|1,0,0]=3 2570 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,1|1,0,0]=3 2571 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|1,0,0]=3 2572 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|1,0,0]=3 2573 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|1,0,0]=3 2574 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|1,0,0]=3 2575 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,1|1,0,0]=3 2576 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 2577 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 2578 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,1|1,0,0]=3 2579 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,1|1,0,0]=3 2580 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 2581 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 2582 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,1|1,0,0]=3 2583 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,1|1,0,0]=3 2584 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 2585 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 2586 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,1|1,0,0]=3 2587 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 2588 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 2589 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,1,0,0,0,1|2,0,0]=4 2590 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,1,0,0,0,1|2,0,0]=4 2591 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,1,0,0,0,1|2,0,0]=4 2592 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,0,0,0,1|2,0,0]=4 2593 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 2594 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 2595 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 2596 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,1,0,0,0,1|2,0,0]=4 2597 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,1,0,0,0,1|2,0,0]=4 2598 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,1,0,0,0,1|2,0,0]=4 2599 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,1,0,0,0,1|2,0,0]=4 2600 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,1,0,0,0,1|2,0,0]=4 2601 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,1,0,0,0,1|2,0,0]=4 2602 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,1,0,0,0,1|2,0,0]=4 2603 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,1,0,0,0,1|2,0,0]=4 2604 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,1,0,0,0,1|2,0,0]=4 2605 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,1,0,0,0,1|2,0,0]=4 2606 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 2607 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 2608 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,1,0,0,0,1|2,0,0]=4 2609 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,1,0,0,0,1|2,0,0]=4 2610 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,1,0,0,0,1|2,0,0]=4 2611 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,1,0,0,0,1|2,0,0]=4 2612 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,1,0,0,0,1|2,0,0]=4 2613 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,1,0,0,0,1|2,0,0]=4 2614 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,1,0,0,0,1|2,0,0]=4 2615 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,1|1,0,0]=3 2616 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,1|1,0,0]=3 2617 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|1,0,0]=3 2618 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|1,0,0]=3 2619 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,1|1,0,0]=3 2620 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,1|1,0,0]=3 2621 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,1|1,0,0]=3 2622 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,1|1,0,0]=3 2623 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,1|1,0,0]=3 2624 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 2625 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 2626 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,1,0,0,0,1|1,0,0]=3 2627 B12R1.50 COC(=O)Cc1cc(ncn1)O 271570a_203496583355_100000104187 [0,1,0,0,0,1|2,0,0]=4 2628 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,1|0,0,0]=2 2629 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,1,0,0,0,1|1,0,0]=3 2630 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,1,0,0,0,1|1,0,0]=3 2631 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100000691529_100009879195 [0,1,0,0,0,1|1,0,1]=4 2632 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100009879195_100000691529 [0,1,0,0,0,1|1,0,1]=4 2633 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [0,1,0,0,0,1|1,0,1]=4 2634 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [0,1,0,0,0,1|1,0,1]=4 2635 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100000699651_100009879195 [0,1,0,0,0,1|1,0,1]=4 2636 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100009879195_100000699651 [0,1,0,0,0,1|1,0,1]=4 2637 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100000685547_100009879195 [0,1,0,0,0,1|1,0,1]=4 2638 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100009879195_100000685547 [0,1,0,0,0,1|1,0,1]=4 2639 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [0,1,0,0,0,1|1,0,1]=4 2640 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [0,1,0,0,0,1|1,0,1]=4 2641 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [0,1,0,0,0,1|1,0,1]=4 2642 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_100009879195_114929384022 [0,1,0,0,0,1|1,0,1]=4 2643 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_114929384022_100009879195 [0,1,0,0,0,1|1,0,1]=4 2644 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,1|2,0,0]=4 2645 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,1|2,0,0]=4 2646 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 2647 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 2648 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,1,0,0,0,1|2,0,0]=4 2649 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,1,0,0,0,1|2,0,0]=4 2650 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,1,0,0,0,1|2,0,0]=4 2651 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,1,0,0,0,1|2,0,0]=4 2652 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,0,0,0,1|2,0,0]=4 2653 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,0,0,0,1|2,0,0]=4 2654 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,0,0,0,1|2,0,0]=4 2655 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,0,0,0,1|2,0,0]=4 2656 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,0,0,0,1|2,0,0]=4 2657 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,0,0,0,1|2,0,0]=4 2658 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2659 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2660 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,0,0,0,1|2,0,0]=4 2661 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,0,0,0,1|2,0,0]=4 2662 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,0,0,0,1|2,0,0]=4 2663 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,0,0,0,1|2,0,0]=4 2664 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,0,0,0,1|2,0,0]=4 2665 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,0,0,0,1|2,0,0]=4 2666 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,0,0,0,1|2,0,0]=4 2667 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,1,0,0,0,1|1,0,1]=4 2668 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,1,0,0,0,1|1,0,1]=4 2669 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,1,0,0,0,1|1,0,1]=4 2670 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,1,0,0,0,1|1,0,1]=4 2671 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,1,0,0,0,1|1,0,1]=4 2672 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,1,0,0,0,1|1,0,1]=4 2673 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,1,0,0,0,1|1,0,1]=4 2674 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,1,0,0,0,1|1,0,1]=4 2675 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,1,0,0,0,1|1,0,1]=4 2676 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,1,0,0,0,1|1,0,1]=4 2677 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,1,0,0,0,1|1,0,1]=4 2678 B12R1.194 CCS(=O)(=O)Nc1ccccc1 232682a_100000106764_100000211323 [0,1,0,0,0,1|2,0,0]=4 2679 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,1,0,0,0,1|2,0,0]=4 2680 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,1,0,0,0,1|2,0,0]=4 2681 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,1,0,0,0,1|2,0,0]=4 2682 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,1,0,0,0,1|1,0,1]=4 2683 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,1,0,0,0,1|1,0,1]=4 2684 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,1,0,0,0,1|1,0,1]=4 2685 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,1,0,0,0,1|1,0,1]=4 2686 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,1,0,0,0,1|1,0,1]=4 2687 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,1,0,0,0,1|1,0,1]=4 2688 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,1|1,0,1]=4 2689 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,1|1,0,1]=4 2690 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,1|1,0,1]=4 2691 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,1|1,0,1]=4 2692 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,1|1,0,1]=4 2693 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,1|1,0,1]=4 2694 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,1|1,0,1]=4 2695 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,1|1,0,1]=4 2696 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,1|1,0,1]=4 2697 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,1|1,0,1]=4 2698 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,1|1,0,1]=4 2699 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,1|1,0,1]=4 2700 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,1|1,0,1]=4 2701 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,1|1,0,1]=4 2702 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,1|1,0,0]=3 2703 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,1|1,0,0]=3 2704 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,1|1,0,0]=3 2705 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,1|1,0,0]=3 2706 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,1|1,0,0]=3 2707 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,1|1,0,0]=3 2708 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,1|1,0,0]=3 2709 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,1|1,0,0]=3 2710 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,1|1,0,0]=3 2711 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,1|1,0,0]=3 2712 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,1|1,0,0]=3 2713 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,1,0,0,0,1|2,0,0]=4 2714 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,1|2,0,0]=4 2715 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,1,0,0,0,1|2,0,0]=4 2716 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,1,0,0,0,1|2,0,0]=4 2717 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,1,0,0,0,1|2,0,0]=4 2718 B12R1.371 CCC(=O)Cc1ccncc1C 1458a_100000210414_100020672808 [0,1,0,0,0,1|2,0,0]=4 2719 B12R1.371 CCC(=O)Cc1ccncc1Cl 1458a_100000210414_100000763264 [0,1,0,0,0,1|2,0,0]=4 2720 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,1,0,0,0,1|2,0,0]=4 2721 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,1,0,0,0,1|2,0,0]=4 2722 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,1,0,0,0,1|2,0,0]=4 2723 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,1,0,0,0,1|2,0,0]=4 2724 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,1,0,0,0,1|2,0,0]=4 2725 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,1,0,0,0,1|2,0,0]=4 2726 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,1,0,0,0,1|2,0,0]=4 2727 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,1,0,0,0,1|2,0,0]=4 2728 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,1,0,0,0,1|2,0,0]=4 2729 B12R1.371 CCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210202 [0,1,0,0,0,1|2,0,0]=4 2730 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,0,1|1,0,0]=3 2731 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,0,1|1,0,0]=3 2732 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2733 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2734 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2735 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,1|1,0,0]=3 2736 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2737 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2738 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2739 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,1|1,0,0]=3 2740 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2741 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2742 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2743 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,0,1|1,0,0]=3 2744 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,0,1|1,0,0]=3 2745 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,0,1|1,0,0]=3 2746 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,1|1,0,0]=3 2747 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,1|1,0,0]=3 2748 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,1|1,0,0]=3 2749 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,1|1,0,0]=3 2750 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,1|1,0,0]=3 2751 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,1|1,0,0]=3 2752 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,1|1,0,0]=3 2753 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,1|1,0,0]=3 2754 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,1|1,0,0]=3 2755 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,1|1,0,0]=3 2756 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,1|1,0,0]=3 2757 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,1|1,0,0]=3 2758 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,1|1,0,0]=3 2759 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,1|1,0,0]=3 2760 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,1|1,0,0]=3 2761 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,1|1,0,0]=3 2762 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,1|1,0,0]=3 2763 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,1|1,0,0]=3 2764 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,1|1,0,0]=3 2765 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,1|1,0,0]=3 2766 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,1|1,0,0]=3 2767 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,1|1,0,0]=3 2768 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,1|1,0,0]=3 2769 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,1|1,0,0]=3 2770 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,1|1,0,0]=3 2771 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,1|2,0,0]=4 2772 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 2773 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 2774 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 2775 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,1|2,0,0]=4 2776 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,1|2,0,0]=4 2777 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,1|2,0,0]=4 2778 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,1|2,0,0]=4 2779 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,1|2,0,0]=4 2780 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,1|2,0,0]=4 2781 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,1|2,0,0]=4 2782 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,1|2,0,0]=4 2783 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,1,0,0,0,1|2,0,0]=4 2784 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,1,0,0,0,1|2,0,0]=4 2785 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,1,0,0,0,1|2,0,0]=4 2786 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,1|1,0,0]=3 2787 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,1|1,0,0]=3 2788 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,1|1,0,0]=3 2789 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,1|1,0,0]=3 2790 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,1|1,0,0]=3 2791 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,1|1,0,0]=3 2792 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,1|0,0,0]=2 2793 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,0,1|1,0,0]=3 2794 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,0,1|1,0,0]=3 2795 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,1|0,0,0]=2 2796 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [0,1,0,0,0,1|1,0,1]=4 2797 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [0,1,0,0,0,1|1,0,1]=4 2798 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,1,0,0,0,1|1,0,1]=4 2799 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,1,0,0,0,1|1,0,1]=4 2800 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [0,1,0,0,0,1|1,0,1]=4 2801 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [0,1,0,0,0,1|1,0,1]=4 2802 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [0,1,0,0,0,1|1,0,1]=4 2803 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [0,1,0,0,0,1|1,0,1]=4 2804 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [0,1,0,0,0,1|1,0,1]=4 2805 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [0,1,0,0,0,1|1,0,1]=4 2806 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,1|1,0,1]=4 2807 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,1|1,0,1]=4 2808 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,1|2,0,0]=4 2809 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,1|2,0,0]=4 2810 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 2811 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 2812 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,1|2,0,0]=4 2813 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,1,0,0,0,1|2,0,0]=4 2814 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,1|2,0,0]=4 2815 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,1,0,0,0,1|2,0,0]=4 2816 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,1,0,0,0,1|2,0,0]=4 2817 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,1|2,0,0]=4 2818 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,0,0,0,1|2,0,0]=4 2819 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,1|2,0,0]=4 2820 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,0,0,0,1|2,0,0]=4 2821 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,0,0,0,1|2,0,0]=4 2822 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,0,0,0,1|2,0,0]=4 2823 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,0,0,0,1|2,0,0]=4 2824 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,0,0,0,1|2,0,0]=4 2825 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,0,0,0,1|2,0,0]=4 2826 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,1|2,0,0]=4 2827 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,1|2,0,0]=4 2828 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 34a_100000753367_200025704644 [0,2,0,0,0,0|1,0,1]=4 2829 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 7a_100000753367_200025704644 [0,2,0,0,0,0|1,0,1]=4 2830 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 34a_100000750429_200025704644 [0,2,0,0,0,0|1,0,1]=4 2831 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 7a_100000750429_200025704644 [0,2,0,0,0,0|1,0,1]=4 2832 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 34a_100011219992_200025704644 [0,2,0,0,0,0|1,0,1]=4 2833 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 7a_100011219992_200025704644 [0,2,0,0,0,0|1,0,1]=4 2834 B12R1.9 CCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765143 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 270084a_100102657272_100000182491 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 274078a_100102657272_100000182491 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br 40a_100102657272_100010306709 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 270084a_100102657272_100000211267 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 274078a_100102657272_100000211267 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 40a_100102657272_100000039673 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 270084a_100102657272_100000209962 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 274078a_100102657272_100000209962 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Cl 40a_100102657272_100000077732 [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 270084a_100102657272_100000184267 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 274078a_100102657272_100000184267 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.9 CNS(=O)(=O)c1ccc(cc1)F 40a_100102657272_100000081159 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.9 CNS(=O)(=O)c1ccc(cc1)I 270084a_100102657272_100011205396 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.9 CNS(=O)(=O)c1ccc(cc1)I 274078a_100102657272_100011205396 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.9 CNS(=O)(=O)c1ccc(cc1)N 40a_100102657272_100000054796 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 270084a_100102657272_100020667864 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000754977 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 274078a_100102657272_100020667864 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.9 COC(C)(C)c1ccc(cc1)Br 34a_100000753367_200000210301 [0,2,0,0,0,0|1,0,1]=4 2854 B12R1.9 COC(C)(C)c1ccc(cc1)Br 7a_100000753367_200000210301 [0,2,0,0,0,0|1,0,1]=4 2855 B12R1.9 COC(C)(C)c1ccc(cc1)C 34a_200011345916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2856 B12R1.9 COC(C)(C)c1ccc(cc1)C 7a_200011345916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2857 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 34a_100000750429_200000210301 [0,2,0,0,0,0|1,0,1]=4 2858 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 7a_100000750429_200000210301 [0,2,0,0,0,0|1,0,1]=4 2859 B12R1.9 COC(C)(C)c1ccc(cc1)F 34a_100011219992_200000210301 [0,2,0,0,0,0|1,0,1]=4 2860 B12R1.9 COC(C)(C)c1ccc(cc1)F 7a_100011219992_200000210301 [0,2,0,0,0,0|1,0,1]=4 2861 B12R1.9 COS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000004522 [0,2,0,0,0,0|1,0,0]=3 2862 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 34a_200011345916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2863 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 7a_200011345916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2864 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Br 34a_100011346009_200025704644 [0,2,0,0,0,0|1,0,1]=4 2865 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Br 7a_100011346009_200025704644 [0,2,0,0,0,0|1,0,1]=4 2866 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Cl 34a_100011345980_200025704644 [0,2,0,0,0,0|1,0,1]=4 2867 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Cl 7a_100011345980_200025704644 [0,2,0,0,0,0|1,0,1]=4 2868 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)F 34a_200011345953_200025704644 [0,2,0,0,0,0|1,0,1]=4 2869 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)F 7a_200011345953_200025704644 [0,2,0,0,0,0|1,0,1]=4 2870 B12R1.10 CCS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815775 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 270084a_100102657272_100000184224 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 274078a_100102657272_100000184224 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br 40a_100102657272_100010340488 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 270084a_100102657272_100000182797 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 274078a_100102657272_100000182797 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.10 CNS(=O)(=O)c1cccc(c1)C 40a_100102657272_100010983817 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 270084a_100102657272_100000182923 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.10 CNS(=O)(=O)c1cccc(c1)Cl 274078a_100102657272_100000182923 [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 270084a_100102657272_100000184201 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.10 CNS(=O)(=O)c1cccc(c1)F 274078a_100102657272_100000184201 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.10 CNS(=O)(=O)c1cccc(c1)N 40a_100102657272_100000034547 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.10 CNS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000165148 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.10 COC(C)(C)c1cccc(c1)Br 34a_100011346009_200000210301 [0,2,0,0,0,0|1,0,1]=4 2884 B12R1.10 COC(C)(C)c1cccc(c1)Br 7a_100011346009_200000210301 [0,2,0,0,0,0|1,0,1]=4 2885 B12R1.10 COC(C)(C)c1cccc(c1)Cl 34a_100011345980_200000210301 [0,2,0,0,0,0|1,0,1]=4 2886 B12R1.10 COC(C)(C)c1cccc(c1)Cl 7a_100011345980_200000210301 [0,2,0,0,0,0|1,0,1]=4 2887 B12R1.10 COC(C)(C)c1cccc(c1)F 34a_200011345953_200000210301 [0,2,0,0,0,0|1,0,1]=4 2888 B12R1.10 COC(C)(C)c1cccc(c1)F 7a_200011345953_200000210301 [0,2,0,0,0,0|1,0,1]=4 2889 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [0,2,0,0,0,0|1,0,1]=4 2890 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [0,2,0,0,0,0|1,0,1]=4 2891 B12R1.39 CCNS(=O)(=O)c1ccccc1 270084a_100015525214_100000210345 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.39 CCNS(=O)(=O)c1ccccc1 274078a_100015525214_100000210345 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.39 CCNS(=O)(=O)c1ccccc1 40a_100015525214_100000032697 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [0,2,0,0,0,0|1,0,1]=4 2895 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.39 CNNS(=O)(=O)c1ccccc1 40a_100016993582_100000032697 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [0,2,0,0,0,0|1,0,1]=4 2898 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [0,2,0,0,0,0|1,0,1]=4 2899 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [0,2,0,0,0,0|1,0,0]=3 2900 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_100000240042_200000210301 [0,2,0,0,0,0|1,1,0]=4 2901 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_200000210301_100000240042 [0,2,0,0,0,0|1,1,0]=4 2902 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_100000240042_200025704644 [0,2,0,0,0,0|1,1,0]=4 2903 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_200025704644_100000240042 [0,2,0,0,0,0|1,1,0]=4 2904 B12R1.195 CC(C)(O[13CH3])c1ccccc1Br 34a_100011346021_200025704644 [0,2,0,0,0,0|1,0,1]=4 2905 B12R1.195 CC(C)(O[13CH3])c1ccccc1Br 7a_100011346021_200025704644 [0,2,0,0,0,0|1,0,1]=4 2906 B12R1.195 CC(C)(O[13CH3])c1ccccc1Cl 34a_100000690508_200025704644 [0,2,0,0,0,0|1,0,1]=4 2907 B12R1.195 CC(C)(O[13CH3])c1ccccc1Cl 7a_100000690508_200025704644 [0,2,0,0,0,0|1,0,1]=4 2908 B12R1.195 CC(C)(O[13CH3])c1ccccc1F 34a_100011345963_200025704644 [0,2,0,0,0,0|1,0,1]=4 2909 B12R1.195 CC(C)(O[13CH3])c1ccccc1F 7a_100011345963_200025704644 [0,2,0,0,0,0|1,0,1]=4 2910 B12R1.195 CC(C)(O[13CH3])c1ccccc1I 34a_100010296449_200025704644 [0,2,0,0,0,0|1,0,1]=4 2911 B12R1.195 CC(C)(O[13CH3])c1ccccc1I 7a_100010296449_200025704644 [0,2,0,0,0,0|1,0,1]=4 2912 B12R1.195 CC(C)(O[13CH3])c1ccccc1N 7a_100000081495_200025704644 [0,2,0,0,0,0|1,0,1]=4 2913 B12R1.195 CNS(=O)(=O)c1ccccc1Br 270084a_100102657272_100000184729 [0,2,0,0,0,0|2,0,0]=4 2914 B12R1.195 CNS(=O)(=O)c1ccccc1Br 274078a_100102657272_100000184729 [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.195 CNS(=O)(=O)c1ccccc1Br 40a_100102657272_100010380725 [0,2,0,0,0,0|2,0,0]=4 2916 B12R1.195 CNS(=O)(=O)c1ccccc1C 270084a_100102657272_100000750907 [0,2,0,0,0,0|2,0,0]=4 2917 B12R1.195 CNS(=O)(=O)c1ccccc1C 274078a_100102657272_100000750907 [0,2,0,0,0,0|2,0,0]=4 2918 B12R1.195 CNS(=O)(=O)c1ccccc1C 40a_100102657272_100010269479 [0,2,0,0,0,0|2,0,0]=4 2919 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 270084a_100102657272_100000184199 [0,2,0,0,0,0|2,0,0]=4 2920 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 274078a_100102657272_100000184199 [0,2,0,0,0,0|2,0,0]=4 2921 B12R1.195 CNS(=O)(=O)c1ccccc1F 270084a_100102657272_100000184916 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.195 CNS(=O)(=O)c1ccccc1F 274078a_100102657272_100000184916 [0,2,0,0,0,0|2,0,0]=4 2923 B12R1.195 CNS(=O)(=O)c1ccccc1I 270084a_100102657272_100011191325 [0,2,0,0,0,0|2,0,0]=4 2924 B12R1.195 CNS(=O)(=O)c1ccccc1I 274078a_100102657272_100011191325 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.195 CNS(=O)(=O)c1ccccc1N 40a_100102657272_100000703237 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.195 CNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165157 [0,2,0,0,0,0|2,0,0]=4 2927 B12R1.195 COC(C)(C)c1ccccc1Br 34a_100011346021_200000210301 [0,2,0,0,0,0|1,0,1]=4 2928 B12R1.195 COC(C)(C)c1ccccc1Br 7a_100011346021_200000210301 [0,2,0,0,0,0|1,0,1]=4 2929 B12R1.195 COC(C)(C)c1ccccc1Cl 34a_100000690508_200000210301 [0,2,0,0,0,0|1,0,1]=4 2930 B12R1.195 COC(C)(C)c1ccccc1Cl 7a_100000690508_200000210301 [0,2,0,0,0,0|1,0,1]=4 2931 B12R1.195 COC(C)(C)c1ccccc1F 34a_100011345963_200000210301 [0,2,0,0,0,0|1,0,1]=4 2932 B12R1.195 COC(C)(C)c1ccccc1F 7a_100011345963_200000210301 [0,2,0,0,0,0|1,0,1]=4 2933 B12R1.195 COC(C)(C)c1ccccc1I 34a_100010296449_200000210301 [0,2,0,0,0,0|1,0,1]=4 2934 B12R1.195 COC(C)(C)c1ccccc1I 7a_100010296449_200000210301 [0,2,0,0,0,0|1,0,1]=4 2935 B12R1.195 COC(C)(C)c1ccccc1N 7a_100000081495_200000210301 [0,2,0,0,0,0|1,0,1]=4 2936 B12R1.195 COC(F)(F)c1ccccc1F 34a_100138415774_100000070671 [0,2,0,0,0,0|1,0,1]=4 2937 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 270084a_100102631434_100000210345 [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 274078a_100102631434_100000210345 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 40a_100102631434_100000032697 [0,2,0,0,0,0|2,0,0]=4 2940 B12R1.475 C#CC(C)(OC)c1ccccc1 34a_100000198054_200000210301 [0,2,0,0,0,0|1,0,1]=4 2941 B12R1.475 C#CC(C)(OC)c1ccccc1 7a_100000198054_200000210301 [0,2,0,0,0,0|1,0,1]=4 2942 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 34a_100000198054_200025704644 [0,2,0,0,0,0|1,0,1]=4 2943 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 7a_100000198054_200025704644 [0,2,0,0,0,0|1,0,1]=4 2944 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [0,2,0,0,0,0|1,0,1]=4 2945 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [0,2,0,0,0,0|1,0,1]=4 2946 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,2,0,0,0,0|1,0,1]=4 2947 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,2,0,0,0,0|1,0,1]=4 2948 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,2,0,0,0,0|1,0,1]=4 2949 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,2,0,0,0,0|1,0,1]=4 2950 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,2,0,0,0,0|1,0,1]=4 2951 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,2,0,0,0,0|1,0,1]=4 2952 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,2,0,0,0,0|1,0,1]=4 2953 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,2,0,0,0,0|1,0,1]=4 2954 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|1,0,1]=4 2955 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|1,0,1]=4 2956 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|1,0,1]=4 2957 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|1,0,1]=4 2958 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,2,0,0,0,0|1,0,1]=4 2959 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,2,0,0,0,0|1,0,1]=4 2960 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,2,0,0,0,0|1,0,1]=4 2961 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,2,0,0,0,0|1,0,1]=4 2962 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,2,0,0,0,0|1,0,1]=4 2963 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,2,0,0,0,0|1,0,1]=4 2964 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2965 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2966 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2967 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2968 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 2969 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 2970 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|2,0,0]=4 2971 B12R1.3 CCN(COC)c1ccccc1 2230a_100000210013_100000766300 [0,2,0,0,0,0|2,0,0]=4 2972 B12R1.3 CCN(COC)c1ccccc1 269982a_100000210013_100000766300 [0,2,0,0,0,0|2,0,0]=4 2973 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,2,0,0,0,0|1,0,1]=4 2974 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,2,0,0,0,0|1,0,1]=4 2975 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,2,0,0,0,0|1,0,1]=4 2976 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,2,0,0,0,0|1,0,1]=4 2977 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,2,0,0,0,0|1,0,1]=4 2978 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,2,0,0,0,0|1,0,1]=4 2979 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,2,0,0,0,0|1,0,1]=4 2980 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,2,0,0,0,0|1,0,1]=4 2981 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,2,0,0,0,0|1,0,1]=4 2982 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,2,0,0,0,0|1,0,1]=4 2983 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,2,0,0,0,0|1,0,1]=4 2984 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,2,0,0,0,0|0,0,2]=4 2985 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,2,0,0,0,0|0,0,2]=4 2986 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,2,0,0,0,0|0,0,2]=4 2987 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,2,0,0,0,0|0,0,2]=4 2988 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,2,0,0,0,0|1,0,1]=4 2989 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,2,0,0,0,0|1,0,1]=4 2990 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,2,0,0,0,0|1,0,1]=4 2991 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,2,0,0,0,0|1,0,1]=4 2992 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,2,0,0,0,0|1,0,1]=4 2993 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,2,0,0,0,0|1,0,1]=4 2994 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,2,0,0,0,0|1,0,1]=4 2995 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,2,0,0,0,0|1,0,1]=4 2996 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,2,0,0,0,0|1,0,1]=4 2997 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,2,0,0,0,0|1,0,1]=4 2998 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,2,0,0,0,0|1,0,1]=4 2999 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,2,0,0,0,0|1,0,1]=4 3000 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,2,0,0,0,0|1,0,1]=4 3001 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,2,0,0,0,0|1,0,1]=4 3002 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 34a_100011470666_200000210301 [0,2,0,0,0,0|1,0,1]=4 3003 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 7a_100011470666_200000210301 [0,2,0,0,0,0|1,0,1]=4 3004 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 34a_100011470666_200025704644 [0,2,0,0,0,0|1,0,1]=4 3005 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 7a_100011470666_200025704644 [0,2,0,0,0,0|1,0,1]=4 3006 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 3007 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 3008 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 3009 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 3010 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,2,0,0,0,0|1,0,1]=4 3011 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,2,0,0,0,0|1,0,1]=4 3012 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,2,0,0,0,0|1,0,1]=4 3013 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,2,0,0,0,0|1,0,1]=4 3014 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 3015 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 3016 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 3017 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 3018 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,2,0,0,0,0|1,0,1]=4 3019 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,2,0,0,0,0|1,0,1]=4 3020 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,2,0,0,0,0|1,0,1]=4 3021 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,2,0,0,0,0|1,0,1]=4 3022 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [0,2,0,0,0,0|1,0,1]=4 3023 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [0,2,0,0,0,0|1,0,1]=4 3024 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|1,0,1]=4 3025 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|1,0,1]=4 3026 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,2,0,0,0,0|0,0,2]=4 3027 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,2,0,0,0,0|1,0,1]=4 3028 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,2,0,0,0,0|1,0,1]=4 3029 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [0,2,0,0,0,0|1,0,1]=4 3030 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [0,2,0,0,0,0|1,0,1]=4 3031 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,2,0,0,0,0|1,0,1]=4 3032 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,2,0,0,0,0|1,0,1]=4 3033 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [0,2,0,0,0,0|1,0,1]=4 3034 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [0,2,0,0,0,0|1,0,1]=4 3035 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|1,0,1]=4 3036 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|1,0,1]=4 3037 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [0,2,0,0,0,0|1,0,1]=4 3038 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [0,2,0,0,0,0|1,0,1]=4 3039 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [0,2,0,0,0,0|1,0,1]=4 3040 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [0,2,0,0,0,0|1,0,1]=4 3041 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [0,2,0,0,0,0|1,0,1]=4 3042 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [0,2,0,0,0,0|1,0,1]=4 3043 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [0,2,0,0,0,0|1,0,1]=4 3044 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [0,2,0,0,0,0|1,0,1]=4 3045 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [0,2,0,0,0,0|1,0,1]=4 3046 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [0,2,0,0,0,0|1,0,1]=4 3047 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [0,2,0,0,0,0|1,0,1]=4 3048 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [0,2,0,0,0,0|1,0,1]=4 3049 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [0,2,0,0,0,0|1,0,1]=4 3050 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [0,2,0,0,0,0|1,0,1]=4 3051 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [0,2,0,0,0,0|0,0,2]=4 3052 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [0,2,0,0,0,0|1,0,1]=4 3053 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [0,2,0,0,0,0|1,0,1]=4 3054 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [0,2,0,0,0,0|1,0,1]=4 3055 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [0,2,0,0,0,0|1,0,1]=4 3056 B12R1.243 COC(C#N)c1ccccc1Cl 7a_200011294979_200000210301 [0,2,0,0,0,0|1,0,1]=4 3057 B12R1.243 COC(CN)c1ccccc1Br 34a_100011236429_200000210301 [0,2,0,0,0,0|1,0,1]=4 3058 B12R1.243 COC(CN)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|1,0,1]=4 3059 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,2,0,0,0,0|0,0,2]=4 3060 B12R1.243 [13CH3]OC(C#N)c1ccccc1Cl 7a_200011294979_200025704644 [0,2,0,0,0,0|1,0,1]=4 3061 B12R1.243 [13CH3]OC(CN)c1ccccc1Br 34a_100011236429_200025704644 [0,2,0,0,0,0|1,0,1]=4 3062 B12R1.243 [13CH3]OC(CN)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|1,0,1]=4 3063 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,2,0,0,0,0|1,0,1]=4 3064 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,2,0,0,0,0|1,0,1]=4 3065 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,2,0,0,0,0|1,0,1]=4 3066 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,2,0,0,0,0|1,0,1]=4 3067 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,2,0,0,0,0|0,1,1]=4 3068 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,2,0,0,0,0|0,1,1]=4 3069 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,2,0,0,0,0|1,0,1]=4 3070 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,2,0,0,0,0|1,0,1]=4 3071 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,2,0,0,0,0|1,0,1]=4 3072 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,2,0,0,0,0|1,0,1]=4 3073 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|1,0,1]=4 3077 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|1,0,1]=4 3078 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|1,0,1]=4 3079 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|1,0,1]=4 3080 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|1,0,1]=4 3081 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|1,0,1]=4 3082 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|0,0,1]=3 3083 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|0,0,1]=3 3084 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,2,0,0,0,0|1,0,1]=4 3085 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,2,0,0,0,0|1,0,1]=4 3086 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|0,0,1]=3 3087 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|0,0,1]=3 3088 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,2,0,0,0,0|0,1,1]=4 3089 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,2,0,0,0,0|0,1,1]=4 3090 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,2,0,0,0,0|0,1,1]=4 3091 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,2,0,0,0,0|0,1,1]=4 3092 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|1,0,1]=4 3093 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|1,0,1]=4 3094 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|0,0,1]=3 3095 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|0,0,1]=3 3096 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,2,0,0,0,0|0,1,1]=4 3097 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,2,0,0,0,0|0,1,1]=4 3098 B12R1.16 C#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000184674 [0,2,0,0,0,0|1,0,1]=4 3099 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [0,2,0,0,0,0|1,0,1]=4 3100 B12R1.16 C#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000184674 [0,2,0,0,0,0|1,0,1]=4 3101 B12R1.16 C#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000184674 [0,2,0,0,0,0|1,0,1]=4 3102 B12R1.16 C#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000184674 [0,2,0,0,0,0|1,0,1]=4 3103 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,2,0,0,0,0|1,0,1]=4 3104 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|1,0,1]=4 3105 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|1,0,1]=4 3106 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|1,0,1]=4 3107 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|1,0,1]=4 3108 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|1,0,1]=4 3109 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|1,0,1]=4 3110 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,2,0,0,0,0|1,0,0]=3 3111 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [0,2,0,0,0,0|1,0,1]=4 3112 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [0,2,0,0,0,0|1,0,1]=4 3113 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [0,2,0,0,0,0|1,0,1]=4 3114 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [0,2,0,0,0,0|1,0,1]=4 3115 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [0,2,0,0,0,0|1,0,1]=4 3116 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,2,0,0,0,0|1,0,0]=3 3117 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|1,0,0]=3 3118 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,2,0,0,0,0|1,0,0]=3 3119 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,2,0,0,0,0|1,0,0]=3 3120 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,2,0,0,0,0|1,0,0]=3 3121 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [0,2,0,0,0,0|1,0,0]=3 3125 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [0,2,0,0,0,0|1,0,0]=3 3126 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [0,2,0,0,0,0|1,0,0]=3 3127 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [0,2,0,0,0,0|1,0,0]=3 3128 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [0,2,0,0,0,0|1,0,0]=3 3129 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [0,2,0,0,0,0|1,0,0]=3 3130 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,2,0,0,0,0|1,0,0]=3 3131 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,2,0,0,0,0|1,0,0]=3 3132 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,2,0,0,0,0|1,0,0]=3 3133 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [0,2,0,0,0,0|1,0,0]=3 3134 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [0,2,0,0,0,0|1,0,0]=3 3135 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [0,2,0,0,0,0|1,0,0]=3 3136 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [0,2,0,0,0,0|1,0,0]=3 3137 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [0,2,0,0,0,0|1,0,0]=3 3138 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [0,2,0,0,0,0|1,0,0]=3 3139 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,2,0,0,0,0|1,0,0]=3 3140 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,2,0,0,0,0|1,0,0]=3 3141 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,2,0,0,0,0|1,0,0]=3 3142 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,2,0,0,0,0|0,0,0]=2 3145 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [0,2,0,0,0,0|1,0,0]=3 3146 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [0,2,0,0,0,0|1,0,0]=3 3147 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.16 CCOC(=O)c1cnc(nc1)O 271570a_203496583355_100011935661 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.16 CCOC(=O)c1ncc(cn1)O 271570a_203496583355_100010168878 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,2,0,0,0,0|1,0,1]=4 3152 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,2,0,0,0,0|1,0,1]=4 3153 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,2,0,0,0,0|1,0,1]=4 3154 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,2,0,0,0,0|1,0,1]=4 3155 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,2,0,0,0,0|1,0,1]=4 3156 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,2,0,0,0,0|1,0,1]=4 3157 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,2,0,0,0,0|1,0,1]=4 3158 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,2,0,0,0,0|1,0,1]=4 3159 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,2,0,0,0,0|1,0,1]=4 3160 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,2,0,0,0,0|1,0,1]=4 3161 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,2,0,0,0,0|1,0,1]=4 3162 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,2,0,0,0,0|1,0,1]=4 3163 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,2,0,0,0,0|1,0,0]=3 3164 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,2,0,0,0,0|1,0,0]=3 3165 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|1,0,0]=3 3166 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|1,0,0]=3 3167 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|1,0,0]=3 3168 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,2,0,0,0,0|1,0,0]=3 3169 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,2,0,0,0,0|1,0,0]=3 3170 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,2,0,0,0,0|1,0,0]=3 3171 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,2,0,0,0,0|1,0,0]=3 3172 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|1,0,0]=3 3173 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|1,0,0]=3 3174 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,2,0,0,0,0|1,0,0]=3 3176 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,2,0,0,0,0|1,0,0]=3 3177 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,2,0,0,0,0|1,0,0]=3 3178 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,2,0,0,0,0|1,0,0]=3 3179 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,2,0,0,0,0|1,0,0]=3 3180 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,2,0,0,0,0|1,0,0]=3 3181 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,2,0,0,0,0|0,0,0]=2 3182 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,2,0,0,0,0|0,0,0]=2 3183 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,2,0,0,0,0|0,0,0]=2 3184 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,2,0,0,0,0|0,0,0]=2 3185 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|0,0,0]=2 3186 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|0,0,0]=2 3187 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,2,0,0,0,0|1,0,1]=4 3188 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,2,0,0,0,0|1,0,1]=4 3189 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,2,0,0,0,0|0,0,2]=4 3190 B12R1.16 COCN(C)c1ccc(cc1)Br 2230a_100000219623_100000766300 [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.16 COCN(C)c1ccc(cc1)Br 269982a_100000219623_100000766300 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.16 COCN(C)c1ccc(cc1)C 2230a_100000219977_100000766300 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.16 COCN(C)c1ccc(cc1)C 269982a_100000219977_100000766300 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.16 COCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000766300 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.16 COCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000766300 [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.16 COCN(C)c1ccc(cc1)F 2230a_100000219829_100000766300 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.16 COCN(C)c1ccc(cc1)F 269982a_100000219829_100000766300 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.16 COCN(C)c1ccc(cc1)I 2230a_100000743151_100000766300 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.16 COCN(C)c1ccc(cc1)I 269982a_100000743151_100000766300 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.16 COCN(C)c1ccc(cc1)O 269982a_100000182112_100000766300 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,2,0,0,0,0|1,0,1]=4 3202 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|1,0,1]=4 3203 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,2,0,0,0,0|0,0,2]=4 3204 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,2,0,0,0,0|0,1,0]=3 3205 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,2,0,0,0,0|0,1,0]=3 3206 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,2,0,0,0,0|0,1,0]=3 3207 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,2,0,0,0,0|0,1,0]=3 3208 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,2,0,0,0,0|0,1,0]=3 3209 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,2,0,0,0,0|0,1,0]=3 3210 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,2,0,0,0,0|0,1,0]=3 3211 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,2,0,0,0,0|0,1,0]=3 3212 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,2,0,0,0,0|0,1,0]=3 3213 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,2,0,0,0,0|0,1,0]=3 3214 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,2,0,0,0,0|0,1,0]=3 3215 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_100016989621_200000210301 [0,2,0,0,0,0|1,1,0]=4 3216 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_200000210301_100016989621 [0,2,0,0,0,0|1,1,0]=4 3217 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_100012027583_200000210301 [0,2,0,0,0,0|1,1,0]=4 3218 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_200000210301_100012027583 [0,2,0,0,0,0|1,1,0]=4 3219 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_100009864725_200000210301 [0,2,0,0,0,0|1,1,0]=4 3220 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_200000210301_100009864725 [0,2,0,0,0,0|1,1,0]=4 3221 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,2,0,0,0,0|1,0,1]=4 3222 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,2,0,0,0,0|1,0,1]=4 3223 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,2,0,0,0,0|1,0,1]=4 3224 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|1,0,0]=3 3225 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|1,0,0]=3 3226 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,2,0,0,0,0|0,1,0]=3 3227 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,2,0,0,0,0|0,1,0]=3 3228 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,2,0,0,0,0|1,0,1]=4 3229 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,2,0,0,0,0|1,0,1]=4 3230 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|1,0,1]=4 3231 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_100012027583_200025704644 [0,2,0,0,0,0|1,1,0]=4 3232 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_200025704644_100012027583 [0,2,0,0,0,0|1,1,0]=4 3233 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [0,2,0,0,0,0|1,0,1]=4 3234 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,2,0,0,0,0|1,0,1]=4 3235 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [0,2,0,0,0,0|1,0,1]=4 3236 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [0,2,0,0,0,0|1,0,1]=4 3237 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,2,0,0,0,0|1,0,1]=4 3238 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,2,0,0,0,0|1,0,1]=4 3239 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,2,0,0,0,0|1,0,0]=3 3240 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,2,0,0,0,0|1,0,0]=3 3241 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,2,0,0,0,0|1,0,0]=3 3242 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,2,0,0,0,0|1,0,0]=3 3243 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|1,0,0]=3 3244 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|1,0,0]=3 3245 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|1,0,0]=3 3246 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|1,0,0]=3 3247 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|1,0,0]=3 3248 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|1,0,0]=3 3249 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,2,0,0,0,0|0,0,0]=2 3250 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,2,0,0,0,0|1,0,1]=4 3251 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,2,0,0,0,0|1,0,1]=4 3252 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,2,0,0,0,0|1,0,1]=4 3253 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,2,0,0,0,0|0,1,0]=3 3254 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,2,0,0,0,0|0,1,0]=3 3255 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,2,0,0,0,0|0,1,0]=3 3256 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,2,0,0,0,0|0,1,0]=3 3257 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,2,0,0,0,0|0,1,0]=3 3258 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,2,0,0,0,0|0,1,0]=3 3259 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,2,0,0,0,0|0,1,0]=3 3260 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,2,0,0,0,0|0,1,0]=3 3261 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,2,0,0,0,0|0,1,0]=3 3262 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_100016989621_200025704644 [0,2,0,0,0,0|1,1,0]=4 3263 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_200025704644_100016989621 [0,2,0,0,0,0|1,1,0]=4 3264 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_100009864725_200025704644 [0,2,0,0,0,0|1,1,0]=4 3265 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_200025704644_100009864725 [0,2,0,0,0,0|1,1,0]=4 3266 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [0,2,0,0,0,0|1,0,1]=4 3267 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [0,2,0,0,0,0|1,0,1]=4 3268 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 34a_217856618577_100015361967 [0,2,0,0,0,0|1,0,1]=4 3269 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 7a_217856618577_100015361967 [0,2,0,0,0,0|1,0,1]=4 3270 B12R1.17 C#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000184674 [0,2,0,0,0,0|1,0,1]=4 3271 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,2,0,0,0,0|1,0,1]=4 3272 B12R1.17 C#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000184674 [0,2,0,0,0,0|1,0,1]=4 3273 B12R1.17 C#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000184674 [0,2,0,0,0,0|1,0,1]=4 3274 B12R1.17 C#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000184674 [0,2,0,0,0,0|1,0,1]=4 3275 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [0,2,0,0,0,0|1,0,1]=4 3276 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|1,0,1]=4 3277 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|1,0,1]=4 3278 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|1,0,1]=4 3279 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|1,0,1]=4 3280 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|1,0,1]=4 3281 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|1,0,1]=4 3282 B12R1.17 CC(OCF)c1cccc(c1)Br 34a_100000246457_100015361967 [0,2,0,0,0,0|1,0,1]=4 3283 B12R1.17 CC(OCF)c1cccc(c1)Br 7a_100000246457_100015361967 [0,2,0,0,0,0|1,0,1]=4 3284 B12R1.17 CC(OCF)c1cccc(c1)F 34a_100000744526_100015361967 [0,2,0,0,0,0|1,0,1]=4 3285 B12R1.17 CC(OCF)c1cccc(c1)F 7a_100000744526_100015361967 [0,2,0,0,0,0|1,0,1]=4 3286 B12R1.17 CC(OCF)c1cccc(c1)I 34a_100013085317_100015361967 [0,2,0,0,0,0|1,0,1]=4 3287 B12R1.17 CC(OCF)c1cccc(c1)I 7a_100013085317_100015361967 [0,2,0,0,0,0|1,0,1]=4 3288 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [0,2,0,0,0,0|1,0,1]=4 3289 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [0,2,0,0,0,0|1,0,1]=4 3290 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|1,0,0]=3 3291 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|1,0,0]=3 3292 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|1,0,0]=3 3293 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|1,0,0]=3 3294 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|1,0,0]=3 3295 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|1,0,0]=3 3296 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 3298 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 3299 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,2,0,0,0,0|1,0,0]=3 3300 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,2,0,0,0,0|1,0,0]=3 3301 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,2,0,0,0,0|1,0,0]=3 3302 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,2,0,0,0,0|1,0,0]=3 3303 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 3304 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 3305 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,2,0,0,0,0|1,0,0]=3 3306 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 3307 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 3308 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,2,0,0,0,0|1,0,0]=3 3309 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 3310 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 3311 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,2,0,0,0,0|1,0,0]=3 3312 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 3313 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,2,0,0,0,0|1,0,0]=3 3314 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 3315 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,2,0,0,0,0|1,0,0]=3 3318 B12R1.17 CCOC(=O)c1cc(ncn1)O 271570a_203496583355_100009878719 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,2,0,0,0,0|0,0,0]=2 3320 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,2,0,0,0,0|1,0,0]=3 3321 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,2,0,0,0,0|1,0,0]=3 3322 B12R1.17 CCOC(=O)c1ccnc(n1)O 271570a_203496583355_100000087789 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,2,0,0,0,0|1,0,0]=3 3324 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.17 CCOC(=O)c1cnnc(c1)O 271570a_203496583355_100009853686 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,2,0,0,0,0|1,0,1]=4 3327 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,2,0,0,0,0|1,0,1]=4 3328 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,2,0,0,0,0|1,0,1]=4 3329 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,2,0,0,0,0|1,0,1]=4 3330 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,2,0,0,0,0|1,0,1]=4 3331 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,2,0,0,0,0|1,0,1]=4 3332 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,2,0,0,0,0|1,0,1]=4 3333 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,2,0,0,0,0|1,0,1]=4 3334 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,2,0,0,0,0|1,0,1]=4 3335 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,2,0,0,0,0|1,0,1]=4 3336 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,2,0,0,0,0|1,0,1]=4 3337 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,2,0,0,0,0|1,0,1]=4 3338 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|1,0,0]=3 3339 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|1,0,0]=3 3340 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|1,0,0]=3 3341 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|1,0,0]=3 3342 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|1,0,0]=3 3343 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|1,0,0]=3 3344 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|1,0,0]=3 3345 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|1,0,0]=3 3346 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|1,0,0]=3 3347 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|1,0,0]=3 3348 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|1,0,0]=3 3349 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|1,0,0]=3 3350 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|1,0,0]=3 3351 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,2,0,0,0,0|1,0,0]=3 3352 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,2,0,0,0,0|1,0,0]=3 3353 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,2,0,0,0,0|1,0,0]=3 3354 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,2,0,0,0,0|1,0,0]=3 3355 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,2,0,0,0,0|1,0,0]=3 3356 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,2,0,0,0,0|1,0,0]=3 3357 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,2,0,0,0,0|0,0,0]=2 3358 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,2,0,0,0,0|0,0,0]=2 3359 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,2,0,0,0,0|0,0,0]=2 3360 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,2,0,0,0,0|0,0,0]=2 3361 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,2,0,0,0,0|0,0,0]=2 3362 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,2,0,0,0,0|0,0,0]=2 3363 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,2,0,0,0,0|0,0,0]=2 3364 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,2,0,0,0,0|0,0,0]=2 3365 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,2,0,0,0,0|1,0,1]=4 3366 B12R1.17 COCN(C)c1cccc(c1)Br 2230a_100000219648_100000766300 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.17 COCN(C)c1cccc(c1)Br 269982a_100000219648_100000766300 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.17 COCN(C)c1cccc(c1)C 2230a_100000219674_100000766300 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.17 COCN(C)c1cccc(c1)C 269982a_100000219674_100000766300 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.17 COCN(C)c1cccc(c1)Cl 2230a_100000220044_100000766300 [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.17 COCN(C)c1cccc(c1)Cl 269982a_100000220044_100000766300 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.17 COCN(C)c1cccc(c1)F 2230a_100020633736_100000766300 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.17 COCN(C)c1cccc(c1)F 269982a_100020633736_100000766300 [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.17 COCN(C)c1cccc(c1)I 2230a_100000221217_100000766300 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.17 COCN(C)c1cccc(c1)I 269982a_100000221217_100000766300 [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.17 COCN(C)c1cccc(c1)O 2230a_100000756613_100000766300 [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.17 COCN(C)c1cccc(c1)O 269982a_100000756613_100000766300 [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|1,0,1]=4 3379 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,2,0,0,0,0|1,0,1]=4 3380 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,2,0,0,0,0|1,0,1]=4 3381 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,2,0,0,0,0|0,1,0]=3 3382 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,2,0,0,0,0|0,1,0]=3 3383 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,2,0,0,0,0|0,1,0]=3 3384 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,2,0,0,0,0|0,1,0]=3 3385 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,2,0,0,0,0|0,1,0]=3 3386 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,2,0,0,0,0|0,1,0]=3 3387 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,2,0,0,0,0|0,1,0]=3 3388 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,2,0,0,0,0|0,1,0]=3 3389 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,2,0,0,0,0|0,1,0]=3 3390 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,2,0,0,0,0|0,1,0]=3 3391 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_100009817076_200000210301 [0,2,0,0,0,0|1,1,0]=4 3392 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_200000210301_100009817076 [0,2,0,0,0,0|1,1,0]=4 3393 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 34a_100000747380_100015361967 [0,2,0,0,0,0|1,0,1]=4 3394 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 7a_100000747380_100015361967 [0,2,0,0,0,0|1,0,1]=4 3395 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,2,0,0,0,0|1,0,1]=4 3396 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|1,0,0]=3 3397 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|1,0,0]=3 3398 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,2,0,0,0,0|0,1,0]=3 3399 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,2,0,0,0,0|0,1,0]=3 3400 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [0,2,0,0,0,0|1,0,1]=4 3401 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [0,2,0,0,0,0|1,0,1]=4 3402 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|1,0,1]=4 3403 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [0,2,0,0,0,0|1,0,1]=4 3404 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [0,2,0,0,0,0|1,0,1]=4 3405 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [0,2,0,0,0,0|1,0,1]=4 3406 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [0,2,0,0,0,0|1,0,1]=4 3407 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,2,0,0,0,0|1,0,1]=4 3408 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,2,0,0,0,0|1,0,1]=4 3409 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|1,0,0]=3 3410 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|1,0,0]=3 3411 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|1,0,0]=3 3412 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|1,0,0]=3 3413 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|1,0,0]=3 3414 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|1,0,0]=3 3415 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|1,0,0]=3 3416 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|1,0,0]=3 3417 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|1,0,0]=3 3418 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|1,0,0]=3 3419 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,2,0,0,0,0|0,0,0]=2 3420 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,2,0,0,0,0|0,0,0]=2 3421 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,2,0,0,0,0|0,0,0]=2 3422 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,2,0,0,0,0|1,0,1]=4 3423 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,2,0,0,0,0|1,0,1]=4 3424 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,2,0,0,0,0|1,0,1]=4 3425 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,2,0,0,0,0|0,1,0]=3 3426 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,2,0,0,0,0|0,1,0]=3 3427 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,2,0,0,0,0|0,1,0]=3 3428 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,2,0,0,0,0|0,1,0]=3 3429 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,2,0,0,0,0|0,1,0]=3 3430 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,2,0,0,0,0|0,1,0]=3 3431 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,2,0,0,0,0|0,1,0]=3 3432 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,2,0,0,0,0|0,1,0]=3 3433 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_100009817076_200025704644 [0,2,0,0,0,0|1,1,0]=4 3434 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_200025704644_100009817076 [0,2,0,0,0,0|1,1,0]=4 3435 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 3437 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 3438 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 3439 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [0,2,0,0,0,0|1,0,0]=3 3440 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|1,0,1]=4 3441 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|1,0,1]=4 3442 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|1,0,1]=4 3443 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|1,0,0]=3 3444 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|1,0,0]=3 3445 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 3446 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 3447 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 3448 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|1,0,1]=4 3449 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|1,0,1]=4 3450 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|1,0,1]=4 3451 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,2,0,0,0,0|1,0,0]=3 3452 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,2,0,0,0,0|1,0,1]=4 3453 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,2,0,0,0,0|1,0,1]=4 3454 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,2,0,0,0,0|1,0,1]=4 3455 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,2,0,0,0,0|1,0,1]=4 3456 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|1,0,0]=3 3457 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,2,0,0,0,0|1,0,0]=3 3458 B12R1.30 CC=NNC(=O)c1ccccn1 4a_100000184044_200000210099 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.30 CC=NNC(=O)c1ccncc1 4a_100000189768_200000210099 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|1,0,0]=3 3462 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 3463 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 3464 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 3465 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,2,0,0,0,0|1,0,0]=3 3466 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|1,0,1]=4 3467 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|1,0,1]=4 3468 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|1,0,1]=4 3469 B12R1.30 CCNN=C(C)c1ccccc1 4a_100000756455_100000185851 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,2,0,0,0,0|1,0,0]=3 3471 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,2,0,0,0,0|1,0,0]=3 3472 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,2,0,0,0,0|1,0,1]=4 3473 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,2,0,0,0,0|1,0,1]=4 3474 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,2,0,0,0,0|1,0,1]=4 3475 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,2,0,0,0,0|0,0,2]=4 3476 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|1,0,1]=4 3478 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,2,0,0,0,0|0,0,2]=4 3479 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,2,0,0,0,0|0,1,0]=3 3480 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,2,0,0,0,0|0,1,0]=3 3481 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,2,0,0,0,0|1,1,0]=4 3482 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,2,0,0,0,0|1,1,0]=4 3483 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,2,0,0,0,0|1,1,0]=4 3484 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,2,0,0,0,0|1,1,0]=4 3485 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [0,2,0,0,0,0|1,1,0]=4 3486 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [0,2,0,0,0,0|1,1,0]=4 3487 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,2,0,0,0,0|1,1,0]=4 3488 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 3489 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 3490 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|0,0,0]=2 3493 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|0,0,0]=2 3494 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,2,0,0,0,0|0,0,2]=4 3498 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,2,0,0,0,0|1,0,1]=4 3499 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|1,0,1]=4 3500 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,2,0,0,0,0|1,0,1]=4 3501 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,2,0,0,0,0|1,0,1]=4 3502 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|0,1,0]=3 3503 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|0,1,0]=3 3504 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|0,1,0]=3 3505 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,2,0,0,0,0|1,1,0]=4 3506 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,2,0,0,0,0|0,0,0]=2 3507 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,2,0,0,0,0|0,0,0]=2 3508 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|1,0,1]=4 3509 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,1]=4 3510 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|1,0,1]=4 3511 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|1,0,1]=4 3512 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 3513 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 3514 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 3515 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 3516 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,2,0,0,0,0|1,0,0]=3 3518 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,2,0,0,0,0|1,0,0]=3 3519 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|1,0,1]=4 3520 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,2,0,0,0,0|0,1,0]=3 3523 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,2,0,0,0,0|0,1,0]=3 3524 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,2,0,0,0,0|1,1,0]=4 3525 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,2,0,0,0,0|1,1,0]=4 3526 B12R1.30 O=C(CSCF)c1cccnc1 62a_100000757877_100015361967 [0,2,0,0,0,0|1,1,0]=4 3527 B12R1.30 O=C(CSCF)c1cccnc1 62a_100015361967_100000757877 [0,2,0,0,0,0|1,1,0]=4 3528 B12R1.30 O=C(CSCF)c1ccncc1 62a_100000027454_100015361967 [0,2,0,0,0,0|1,1,0]=4 3529 B12R1.30 O=C(CSCF)c1ccncc1 62a_100015361967_100000027454 [0,2,0,0,0,0|1,1,0]=4 3530 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 3531 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 3532 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 3533 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,2,0,0,0,0|1,0,0]=3 3534 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,2,0,0,0,0|1,0,0]=3 3535 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,2,0,0,0,0|1,0,0]=3 3536 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,2,0,0,0,0|1,1,0]=4 3537 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,2,0,0,0,0|1,0,1]=4 3538 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|0,1,0]=3 3539 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|0,1,0]=3 3540 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,2,0,0,0,0|1,1,0]=4 3541 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,2,0,0,0,0|0,0,0]=2 3542 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,2,0,0,0,0|0,0,0]=2 3543 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,2,0,0,0,0|1,0,1]=4 3545 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,0]=3 3548 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,2,0,0,0,0|1,0,0]=3 3552 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 3553 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 3554 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 3555 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,2,0,0,0,0|1,0,0]=3 3556 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,2,0,0,0,0|1,0,1]=4 3557 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,2,0,0,0,0|1,0,1]=4 3558 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,2,0,0,0,0|1,0,1]=4 3559 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,2,0,0,0,0|1,0,0]=3 3560 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,2,0,0,0,0|1,0,0]=3 3561 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|1,0,1]=4 3566 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,2,0,0,0,0|1,0,0]=3 3567 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|1,0,1]=4 3569 B12R1.308 C#CCC(=O)c1ccccc1Br 1458a_100000188424_100000184674 [0,2,0,0,0,0|1,0,1]=4 3570 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [0,2,0,0,0,0|1,0,1]=4 3571 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [0,2,0,0,0,0|1,0,1]=4 3572 B12R1.308 C#CCC(=O)c1ccccc1F 1458a_100000188656_100000184674 [0,2,0,0,0,0|1,0,1]=4 3573 B12R1.308 C#CCC(=O)c1ccccc1I 1458a_100000187884_100000184674 [0,2,0,0,0,0|1,0,1]=4 3574 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,2,0,0,0,0|1,0,1]=4 3575 B12R1.308 C#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000184674 [0,2,0,0,0,0|1,0,1]=4 3576 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|1,0,1]=4 3577 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|1,0,1]=4 3578 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|1,0,1]=4 3579 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|1,0,1]=4 3580 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|1,0,1]=4 3581 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|1,0,1]=4 3582 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|1,0,1]=4 3583 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [0,2,0,0,0,0|1,0,1]=4 3584 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [0,2,0,0,0,0|1,0,1]=4 3585 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,2,0,0,0,0|1,0,1]=4 3586 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,2,0,0,0,0|1,0,1]=4 3587 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [0,2,0,0,0,0|1,0,1]=4 3588 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [0,2,0,0,0,0|1,0,1]=4 3589 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [0,2,0,0,0,0|1,0,1]=4 3590 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,2,0,0,0,0|1,0,0]=3 3591 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|1,0,0]=3 3592 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,2,0,0,0,0|1,0,0]=3 3593 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,2,0,0,0,0|1,0,0]=3 3594 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,2,0,0,0,0|1,0,0]=3 3595 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|1,0,0]=3 3596 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,2,0,0,0,0|1,0,0]=3 3597 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,2,0,0,0,0|1,0,0]=3 3598 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,2,0,0,0,0|1,0,0]=3 3599 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,2,0,0,0,0|1,0,0]=3 3600 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,2,0,0,0,0|1,0,0]=3 3601 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,2,0,0,0,0|1,0,0]=3 3602 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,2,0,0,0,0|1,0,0]=3 3603 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,2,0,0,0,0|1,0,0]=3 3604 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,2,0,0,0,0|1,0,0]=3 3605 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,2,0,0,0,0|1,0,0]=3 3606 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,2,0,0,0,0|1,0,0]=3 3607 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,2,0,0,0,0|1,0,0]=3 3608 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,2,0,0,0,0|1,0,0]=3 3610 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,2,0,0,0,0|1,0,0]=3 3611 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,2,0,0,0,0|1,0,0]=3 3612 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,2,0,0,0,0|1,0,0]=3 3613 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,2,0,0,0,0|1,0,0]=3 3614 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,2,0,0,0,0|1,0,0]=3 3615 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,2,0,0,0,0|1,0,0]=3 3616 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,2,0,0,0,0|0,0,0]=2 3618 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,2,0,0,0,0|1,0,0]=3 3619 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,2,0,0,0,0|1,0,0]=3 3620 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,2,0,0,0,0|1,0,0]=3 3621 B12R1.308 CCOC(=O)c1cncnc1O 271570a_203496583355_100011998183 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,2,0,0,0,0|1,0,0]=3 3623 B12R1.308 CCOC(=O)c1ncncc1O 271570a_203496583355_100012344254 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,2,0,0,0,0|1,0,1]=4 3625 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,2,0,0,0,0|1,0,1]=4 3626 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,2,0,0,0,0|1,0,1]=4 3627 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,2,0,0,0,0|1,0,1]=4 3628 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,2,0,0,0,0|1,0,1]=4 3629 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,2,0,0,0,0|1,0,1]=4 3630 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,2,0,0,0,0|1,0,1]=4 3631 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,2,0,0,0,0|1,0,1]=4 3632 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,2,0,0,0,0|1,0,1]=4 3633 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,2,0,0,0,0|1,0,1]=4 3634 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,2,0,0,0,0|1,0,0]=3 3635 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|1,0,0]=3 3636 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|1,0,0]=3 3637 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|1,0,0]=3 3638 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,2,0,0,0,0|1,0,0]=3 3639 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,2,0,0,0,0|1,0,0]=3 3640 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,2,0,0,0,0|1,0,0]=3 3641 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|1,0,0]=3 3642 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,2,0,0,0,0|1,0,0]=3 3643 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,2,0,0,0,0|1,0,0]=3 3644 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,2,0,0,0,0|1,0,0]=3 3645 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,2,0,0,0,0|1,0,0]=3 3647 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,2,0,0,0,0|1,0,0]=3 3648 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,2,0,0,0,0|1,0,0]=3 3649 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,2,0,0,0,0|0,0,0]=2 3650 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,2,0,0,0,0|0,0,0]=2 3651 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,2,0,0,0,0|0,0,0]=2 3652 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,2,0,0,0,0|0,0,0]=2 3653 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|1,0,1]=4 3654 B12R1.308 COCN(C)c1ccccc1Br 2230a_100020606079_100000766300 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.308 COCN(C)c1ccccc1Br 269982a_100020606079_100000766300 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.308 COCN(C)c1ccccc1C 2230a_100000219699_100000766300 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.308 COCN(C)c1ccccc1C 269982a_100000219699_100000766300 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.308 COCN(C)c1ccccc1Cl 2230a_100000219374_100000766300 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.308 COCN(C)c1ccccc1Cl 269982a_100000219374_100000766300 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.308 COCN(C)c1ccccc1F 2230a_100000220357_100000766300 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.308 COCN(C)c1ccccc1F 269982a_100000220357_100000766300 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|1,0,1]=4 3664 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|1,0,1]=4 3665 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,2,0,0,0,0|0,1,0]=3 3666 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,2,0,0,0,0|0,1,0]=3 3667 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,2,0,0,0,0|0,1,0]=3 3668 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,2,0,0,0,0|0,1,0]=3 3669 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,2,0,0,0,0|0,1,0]=3 3670 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,2,0,0,0,0|0,1,0]=3 3671 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,2,0,0,0,0|0,1,0]=3 3672 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,2,0,0,0,0|0,1,0]=3 3673 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,2,0,0,0,0|0,1,0]=3 3674 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,2,0,0,0,0|1,0,1]=4 3675 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|1,0,0]=3 3676 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|1,0,0]=3 3677 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,2,0,0,0,0|0,1,0]=3 3678 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,2,0,0,0,0|0,1,0]=3 3679 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [0,2,0,0,0,0|1,0,1]=4 3680 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [0,2,0,0,0,0|1,0,1]=4 3681 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [0,2,0,0,0,0|1,0,1]=4 3682 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,2,0,0,0,0|1,0,1]=4 3683 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [0,2,0,0,0,0|1,0,1]=4 3684 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [0,2,0,0,0,0|1,0,1]=4 3685 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,2,0,0,0,0|1,0,1]=4 3686 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,2,0,0,0,0|1,0,1]=4 3687 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [0,2,0,0,0,0|1,0,1]=4 3688 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,2,0,0,0,0|1,0,0]=3 3689 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,2,0,0,0,0|1,0,0]=3 3690 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,2,0,0,0,0|1,0,0]=3 3691 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,2,0,0,0,0|1,0,0]=3 3692 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|1,0,0]=3 3693 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,2,0,0,0,0|1,0,0]=3 3694 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,2,0,0,0,0|1,0,0]=3 3695 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,2,0,0,0,0|1,0,0]=3 3696 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,2,0,0,0,0|1,0,0]=3 3697 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,2,0,0,0,0|1,0,0]=3 3698 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|1,0,0]=3 3699 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,2,0,0,0,0|1,0,0]=3 3700 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|1,0,1]=4 3701 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|1,0,1]=4 3702 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|1,0,1]=4 3703 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,2,0,0,0,0|0,1,0]=3 3704 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,2,0,0,0,0|0,1,0]=3 3705 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,2,0,0,0,0|0,1,0]=3 3706 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,2,0,0,0,0|0,1,0]=3 3707 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,2,0,0,0,0|0,1,0]=3 3708 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,2,0,0,0,0|0,1,0]=3 3709 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,2,0,0,0,0|0,1,0]=3 3710 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,2,0,0,0,0|1,0,0]=3 3711 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,2,0,0,0,0|2,0,0]=4 3712 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,2,0,0,0,0|1,0,0]=3 3715 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,2,0,0,0,0|1,0,0]=3 3716 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,2,0,0,0,0|1,0,0]=3 3719 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,2,0,0,0,0|1,0,0]=3 3720 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,2,0,0,0,0|1,0,0]=3 3724 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,2,0,0,0,0|1,0,0]=3 3725 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,2,0,0,0,0|1,0,0]=3 3726 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,2,0,0,0,0|1,0,0]=3 3727 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,2,0,0,0,0|1,0,0]=3 3728 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,2,0,0,0,0|0,0,0]=2 3730 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [0,2,0,0,0,0|1,0,1]=4 3731 B12R1.5 C=Cc1ccc(cn1)C(=O)NC 271570a_100011290941_100000159860 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,2,0,0,0,0|1,0,0]=3 3733 B12R1.5 C=Cc1ccc(nc1)C(=O)CC 271570a_100011290941_100012351654 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.5 C=Cc1ccc(nc1)C(=O)NC 271570a_100011290941_100011781262 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,2,0,0,0,0|1,0,0]=3 3736 B12R1.5 C=Cc1ccc(nn1)C(=O)OC 271570a_100011290941_100009816182 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.5 C=Cc1cnc(cn1)C(=O)OC 271570a_100011290941_100010219404 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.5 C=Cc1cnc(nc1)C(=O)OC 271570a_100011290941_100000690087 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.5 C=Cc1ncc(cn1)C(=O)OC 271570a_100011290941_100000729365 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,2,0,0,0,0|1,0,1]=4 3741 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,2,0,0,0,0|1,0,0]=3 3742 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,2,0,0,0,0|1,0,0]=3 3743 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,2,0,0,0,0|1,0,0]=3 3744 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,2,0,0,0,0|1,0,0]=3 3745 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 3746 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 3747 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 3748 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 3749 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,2,0,0,0,0|1,0,0]=3 3750 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,2,0,0,0,0|1,0,0]=3 3751 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,2,0,0,0,0|1,0,0]=3 3752 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,2,0,0,0,0|1,0,0]=3 3753 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,2,0,0,0,0|1,0,0]=3 3754 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,2,0,0,0,0|1,0,0]=3 3760 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,2,0,0,0,0|1,0,0]=3 3761 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,2,0,0,0,0|1,0,0]=3 3763 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,2,0,0,0,0|1,0,1]=4 3764 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,2,0,0,0,0|1,0,1]=4 3765 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,2,0,0,0,0|1,0,1]=4 3766 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,2,0,0,0,0|1,0,0]=3 3768 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,2,0,0,0,0|1,0,0]=3 3769 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,2,0,0,0,0|1,0,0]=3 3770 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,2,0,0,0,0|1,0,0]=3 3771 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 3772 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 3773 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,2,0,0,0,0|1,0,0]=3 3774 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,2,0,0,0,0|1,0,0]=3 3775 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,2,0,0,0,0|1,0,0]=3 3776 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,2,0,0,0,0|1,0,0]=3 3777 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,2,0,0,0,0|1,0,0]=3 3778 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,2,0,0,0,0|1,0,0]=3 3779 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 3780 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 3781 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 3782 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 3783 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 3784 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 3785 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 3786 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,2,0,0,0,0|1,0,0]=3 3787 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 3788 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 3789 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,2,0,0,0,0|1,0,0]=3 3810 B12R1.5 CNc1ccc(nn1)C(=O)OC 27a_100102657272_100000738951 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.5 CNc1cnc(cn1)C(=O)OC 27a_100102657272_100010219404 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.5 CNc1ncc(cn1)C(=O)OC 27a_100102657272_100000729365 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|0,0,0]=2 3814 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|0,0,0]=2 3815 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|0,0,0]=2 3816 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|0,0,0]=2 3817 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,2,0,0,0,0|0,0,0]=2 3818 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,2,0,0,0,0|0,0,0]=2 3819 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,2,0,0,0,0|0,0,0]=2 3820 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,2,0,0,0,0|0,0,0]=2 3821 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,2,0,0,0,0|1,0,0]=3 3822 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,2,0,0,0,0|1,0,0]=3 3823 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,2,0,0,0,0|1,0,0]=3 3824 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,2,0,0,0,0|1,0,0]=3 3825 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,2,0,0,0,0|1,0,0]=3 3826 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,2,0,0,0,0|1,0,0]=3 3827 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,2,0,0,0,0|1,0,0]=3 3828 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,2,0,0,0,0|1,0,0]=3 3829 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,2,0,0,0,0|1,0,0]=3 3830 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,2,0,0,0,0|1,0,0]=3 3831 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,2,0,0,0,0|1,0,0]=3 3832 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,2,0,0,0,0|1,0,0]=3 3833 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_100000738951_200000210301 [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_200000210301_100000738951 [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_100000738951_200025704644 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_200025704644_100000738951 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_100010219404_200000210301 [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_200000210301_100010219404 [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_100010219404_200025704644 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100010219404 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_100000729365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_200000210301_100000729365 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_100000729365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000729365 [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_100000690087_200000210301 [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_200000210301_100000690087 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_100000690087_200025704644 [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100000690087 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,2,0,0,0,0|1,0,1]=4 3850 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,2,0,0,0,0|1,0,1]=4 3851 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,2,0,0,0,0|1,0,1]=4 3852 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,2,0,0,0,0|1,0,1]=4 3853 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,2,0,0,0,0|1,0,1]=4 3854 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,2,0,0,0,0|1,0,1]=4 3855 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,2,0,0,0,0|1,0,1]=4 3856 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [0,2,0,0,0,0|1,0,1]=4 3857 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [0,2,0,0,0,0|1,0,1]=4 3858 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,2,0,0,0,0|1,0,1]=4 3865 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,2,0,0,0,0|1,0,1]=4 3866 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,2,0,0,0,0|1,0,1]=4 3867 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,2,0,0,0,0|1,0,1]=4 3868 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,2,0,0,0,0|1,0,1]=4 3869 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,2,0,0,0,0|1,0,1]=4 3870 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [0,2,0,0,0,0|1,0,1]=4 3881 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [0,2,0,0,0,0|1,0,1]=4 3882 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,2,0,0,0,0|2,0,0]=4 3884 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,2,0,0,0,0|2,0,0]=4 3885 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [0,2,0,0,0,0|1,0,0]=3 3905 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [0,2,0,0,0,0|1,0,0]=3 3906 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [0,2,0,0,0,0|1,0,0]=3 3907 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [0,2,0,0,0,0|1,0,0]=3 3908 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [0,2,0,0,0,0|1,0,0]=3 3909 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [0,2,0,0,0,0|1,0,0]=3 3910 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 11a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 3912 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 1626a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 3913 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 240690a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 3914 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 527a_100102631434_100000185839 [0,2,0,0,0,0|1,0,0]=3 3915 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 11a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 3916 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 1626a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 3917 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 240690a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 527a_100102631434_100000210187 [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 11a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 3920 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 1626a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 3921 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 240690a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 3922 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 527a_100102631434_100000187176 [0,2,0,0,0,0|1,0,0]=3 3923 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 11a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 3924 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 1626a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 240690a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 527a_100102631434_100000187904 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [0,2,0,0,0,0|1,0,0]=3 3928 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [0,2,0,0,0,0|1,0,0]=3 3930 B12R1.20 CN(C)C(=O)c1ccc(cn1)O 271570a_203496583355_200011781295 [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.20 CN(C)C(=O)c1ccc(nc1)O 271570a_203496583355_100000159593 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [0,2,0,0,0,0|1,0,0]=3 3933 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 3934 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 3936 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000188618 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Br)F 34a_100011191524_200025704644 [0,2,0,0,0,0|1,0,1]=4 3939 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Br)F 7a_100011191524_200025704644 [0,2,0,0,0,0|1,0,1]=4 3940 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000742046_200025704644 [0,2,0,0,0,0|1,0,1]=4 3941 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Cl)Cl 7a_100000742046_200025704644 [0,2,0,0,0,0|1,0,1]=4 3942 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)Cl 34a_100011944057_200025704644 [0,2,0,0,0,0|1,0,1]=4 3943 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)Cl 7a_100011944057_200025704644 [0,2,0,0,0,0|1,0,1]=4 3944 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)F 34a_100000246517_200025704644 [0,2,0,0,0,0|1,0,1]=4 3945 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)F 7a_100000246517_200025704644 [0,2,0,0,0,0|1,0,1]=4 3946 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,2,0,0,0,0|1,0,0]=3 3947 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,2,0,0,0,0|1,0,0]=3 3948 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,2,0,0,0,0|1,0,0]=3 3949 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,2,0,0,0,0|1,0,0]=3 3950 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,2,0,0,0,0|1,0,0]=3 3951 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|1,0,0]=3 3952 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|1,0,0]=3 3953 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|1,0,0]=3 3954 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|1,0,0]=3 3955 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|1,0,0]=3 3956 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|1,0,0]=3 3957 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|1,0,0]=3 3958 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|1,0,0]=3 3959 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,2,0,0,0,0|1,0,0]=3 3962 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,2,0,0,0,0|1,0,0]=3 3963 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,2,0,0,0,0|1,0,0]=3 3964 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|1,0,0]=3 3965 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,2,0,0,0,0|1,0,0]=3 3966 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,2,0,0,0,0|1,0,0]=3 3967 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,2,0,0,0,0|1,0,0]=3 3968 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,2,0,0,0,0|1,0,0]=3 3969 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,2,0,0,0,0|1,0,0]=3 3970 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|1,0,0]=3 3971 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,2,0,0,0,0|1,0,0]=3 3972 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,2,0,0,0,0|1,0,0]=3 3973 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,2,0,0,0,0|1,0,0]=3 3974 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,2,0,0,0,0|1,0,0]=3 3975 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,2,0,0,0,0|1,0,0]=3 3976 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|1,0,0]=3 3977 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,2,0,0,0,0|1,0,0]=3 3978 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,2,0,0,0,0|1,0,0]=3 3979 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,2,0,0,0,0|1,0,0]=3 3980 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,2,0,0,0,0|1,0,0]=3 3981 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,2,0,0,0,0|1,0,0]=3 3982 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,2,0,0,0,0|1,0,0]=3 3983 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|1,0,0]=3 3984 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,2,0,0,0,0|1,0,0]=3 3985 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 3986 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 3987 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,2,0,0,0,0|1,0,0]=3 3988 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,2,0,0,0,0|1,0,0]=3 3989 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 3990 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,2,0,0,0,0|1,0,0]=3 3993 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 3994 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 3995 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,2,0,0,0,0|1,0,0]=3 3997 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 3998 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 3999 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,2,0,0,0,0|1,0,0]=3 4000 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,2,0,0,0,0|1,0,0]=3 4001 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 4002 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 4003 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,2,0,0,0,0|1,0,0]=3 4004 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|1,0,0]=3 4005 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|1,0,0]=3 4006 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|1,0,0]=3 4007 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|1,0,0]=3 4008 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|1,0,0]=3 4009 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|1,0,0]=3 4010 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|1,0,0]=3 4011 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|1,0,0]=3 4012 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|1,0,0]=3 4013 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|1,0,0]=3 4014 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|1,0,0]=3 4015 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|1,0,0]=3 4016 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|1,0,0]=3 4017 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|1,0,0]=3 4018 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|1,0,0]=3 4020 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|1,0,0]=3 4021 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|1,0,0]=3 4023 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|1,0,0]=3 4025 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|1,0,0]=3 4026 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|1,0,0]=3 4027 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,2,0,0,0,0|1,0,0]=3 4028 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 4029 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 4030 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,2,0,0,0,0|1,0,0]=3 4031 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,2,0,0,0,0|1,0,0]=3 4032 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 4033 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 4034 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,2,0,0,0,0|1,0,0]=3 4035 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,2,0,0,0,0|1,0,0]=3 4036 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 4037 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 4038 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,2,0,0,0,0|1,0,0]=3 4039 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,2,0,0,0,0|1,0,0]=3 4040 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 4041 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 4042 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,2,0,0,0,0|1,0,0]=3 4043 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,2,0,0,0,0|1,0,0]=3 4044 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 4045 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 4046 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,2,0,0,0,0|1,0,0]=3 4047 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 4048 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 4049 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,2,0,0,0,0|1,0,0]=3 4050 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 4051 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 4052 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,2,0,0,0,0|1,0,0]=3 4053 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,2,0,0,0,0|1,0,0]=3 4054 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 4055 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 4056 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,2,0,0,0,0|1,0,0]=3 4057 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,2,0,0,0,0|1,0,0]=3 4058 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 4059 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 4060 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,2,0,0,0,0|1,0,0]=3 4061 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,2,0,0,0,0|1,0,0]=3 4062 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 4063 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 4064 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,2,0,0,0,0|1,0,0]=3 4065 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,2,0,0,0,0|1,0,0]=3 4066 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 4067 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 4068 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,2,0,0,0,0|1,0,0]=3 4069 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 4070 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 4071 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,2,0,0,0,0|1,0,0]=3 4072 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 4073 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 4074 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,2,0,0,0,0|1,0,0]=3 4075 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 4082 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,2,0,0,0,0|1,0,0]=3 4096 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 4097 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 4098 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 4099 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,2,0,0,0,0|1,0,0]=3 4100 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 4101 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 4102 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 4103 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 4104 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [0,2,0,0,0,0|1,0,0]=3 4105 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [0,2,0,0,0,0|1,0,0]=3 4106 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [0,2,0,0,0,0|1,0,0]=3 4107 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|0,0,0]=2 4109 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|0,0,0]=2 4110 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|0,0,0]=2 4111 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|0,0,0]=2 4112 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|0,0,0]=2 4113 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|0,0,0]=2 4114 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|0,0,0]=2 4115 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|0,0,0]=2 4116 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|0,0,0]=2 4117 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|0,0,0]=2 4118 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|0,0,0]=2 4119 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|0,0,0]=2 4120 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [0,2,0,0,0,0|1,0,0]=3 4121 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [0,2,0,0,0,0|1,0,0]=3 4122 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [0,2,0,0,0,0|1,0,0]=3 4123 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [0,2,0,0,0,0|1,0,0]=3 4124 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [0,2,0,0,0,0|1,0,0]=3 4125 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,2,0,0,0,0|1,0,0]=3 4126 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,2,0,0,0,0|1,0,0]=3 4127 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,2,0,0,0,0|1,0,0]=3 4128 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,2,0,0,0,0|1,0,0]=3 4129 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,2,0,0,0,0|1,0,0]=3 4130 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,2,0,0,0,0|1,0,0]=3 4131 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,2,0,0,0,0|1,0,0]=3 4132 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,2,0,0,0,0|1,0,0]=3 4133 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,2,0,0,0,0|1,0,0]=3 4134 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,2,0,0,0,0|1,0,0]=3 4135 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,2,0,0,0,0|1,0,0]=3 4136 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.367 COC(=O)c1cnc(c(n1)O)C 271570a_203496583355_200010778766 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.367 COC(=O)c1cnc(c(n1)O)F 271570a_203496583355_100010896985 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.367 COC(C)c1ccc(c(c1)Br)F 34a_100011191524_200000210301 [0,2,0,0,0,0|1,0,1]=4 4141 B12R1.367 COC(C)c1ccc(c(c1)Br)F 7a_100011191524_200000210301 [0,2,0,0,0,0|1,0,1]=4 4142 B12R1.367 COC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_200000210301 [0,2,0,0,0,0|1,0,1]=4 4143 B12R1.367 COC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_200000210301 [0,2,0,0,0,0|1,0,1]=4 4144 B12R1.367 COC(C)c1ccc(c(c1)F)Cl 34a_100011944057_200000210301 [0,2,0,0,0,0|1,0,1]=4 4145 B12R1.367 COC(C)c1ccc(c(c1)F)Cl 7a_100011944057_200000210301 [0,2,0,0,0,0|1,0,1]=4 4146 B12R1.367 COC(C)c1ccc(c(c1)F)F 34a_100000246517_200000210301 [0,2,0,0,0,0|1,0,1]=4 4147 B12R1.367 COC(C)c1ccc(c(c1)F)F 7a_100000246517_200000210301 [0,2,0,0,0,0|1,0,1]=4 4148 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,2,0,0,0,0|2,0,0]=4 4149 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,2,0,0,0,0|2,0,0]=4 4151 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|2,0,0]=4 4154 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [0,2,0,0,0,0|2,0,0]=4 4155 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [0,2,0,0,0,0|2,0,0]=4 4158 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [0,2,0,0,0,0|2,0,0]=4 4159 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015361967 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015361967 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.367 O=C(CF)c1ccc(c(c1)Br)F 1458a_100000760357_100015361967 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.367 O=C(CF)c1ccc(c(c1)Br)I 1458a_100000739115_100015361967 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015361967 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015361967 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015361967 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.367 O=C(CF)c1ccc(c(c1)F)Br 1458a_100000743946_100015361967 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.367 O=C(CF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015361967 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.367 O=C(CF)c1ccc(c(c1)F)F 1458a_100000209822_100015361967 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.367 O=C(CF)c1ccc(c(c1)F)I 1458a_100000062624_100015361967 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.367 O=C(CF)c1ccc(c(c1)I)Br 1458a_100012343876_100015361967 [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.367 O=C(CF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015361967 [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.367 O=C(CF)c1ccc(c(c1)I)F 1458a_100000688015_100015361967 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.367 O=C(CF)c1ccc(c(c1)I)I 1458a_100000725830_100015361967 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 34a_100000743050_200025704644 [0,2,0,0,0,0|1,0,1]=4 4189 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 7a_100000743050_200025704644 [0,2,0,0,0,0|1,0,1]=4 4190 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 34a_200011245020_200025704644 [0,2,0,0,0,0|1,0,1]=4 4191 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 7a_200011245020_200025704644 [0,2,0,0,0,0|1,0,1]=4 4192 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 34a_200011805215_200025704644 [0,2,0,0,0,0|1,0,1]=4 4193 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 7a_200011805215_200025704644 [0,2,0,0,0,0|1,0,1]=4 4194 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 34a_200000246518_200025704644 [0,2,0,0,0,0|1,0,1]=4 4195 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 7a_200000246518_200025704644 [0,2,0,0,0,0|1,0,1]=4 4196 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,2,0,0,0,0|1,0,0]=3 4197 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,2,0,0,0,0|1,0,0]=3 4198 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,2,0,0,0,0|1,0,0]=3 4199 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,2,0,0,0,0|1,0,0]=3 4200 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,2,0,0,0,0|1,0,0]=3 4203 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,2,0,0,0,0|1,0,0]=3 4207 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|1,0,0]=3 4208 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|1,0,0]=3 4209 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,2,0,0,0,0|1,0,0]=3 4210 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,2,0,0,0,0|1,0,0]=3 4211 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,2,0,0,0,0|1,0,0]=3 4213 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,2,0,0,0,0|1,0,0]=3 4214 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,2,0,0,0,0|1,0,0]=3 4217 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,2,0,0,0,0|1,0,0]=3 4220 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,2,0,0,0,0|1,0,0]=3 4221 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,2,0,0,0,0|1,0,0]=3 4222 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,2,0,0,0,0|1,0,0]=3 4234 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,2,0,0,0,0|1,0,0]=3 4235 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,2,0,0,0,0|1,0,0]=3 4236 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,2,0,0,0,0|1,0,0]=3 4237 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,2,0,0,0,0|1,0,0]=3 4238 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,2,0,0,0,0|1,0,0]=3 4239 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,2,0,0,0,0|1,0,0]=3 4240 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,2,0,0,0,0|1,0,0]=3 4241 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,2,0,0,0,0|1,0,0]=3 4242 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,2,0,0,0,0|1,0,0]=3 4243 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,2,0,0,0,0|1,0,0]=3 4247 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,2,0,0,0,0|1,0,0]=3 4248 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,2,0,0,0,0|1,0,0]=3 4249 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,2,0,0,0,0|1,0,0]=3 4250 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,2,0,0,0,0|1,0,0]=3 4251 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,2,0,0,0,0|1,0,0]=3 4252 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,2,0,0,0,0|1,0,0]=3 4253 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,2,0,0,0,0|1,0,0]=3 4254 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,2,0,0,0,0|1,0,0]=3 4255 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,2,0,0,0,0|1,0,0]=3 4257 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,2,0,0,0,0|1,0,0]=3 4258 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,2,0,0,0,0|1,0,0]=3 4259 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,2,0,0,0,0|1,0,0]=3 4260 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,2,0,0,0,0|1,0,0]=3 4261 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,2,0,0,0,0|1,0,0]=3 4262 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,2,0,0,0,0|1,0,0]=3 4263 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,2,0,0,0,0|1,0,0]=3 4264 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,2,0,0,0,0|1,0,0]=3 4265 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,2,0,0,0,0|1,0,0]=3 4266 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,2,0,0,0,0|1,0,0]=3 4267 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,2,0,0,0,0|1,0,0]=3 4268 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,2,0,0,0,0|1,0,0]=3 4269 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,2,0,0,0,0|1,0,0]=3 4270 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,2,0,0,0,0|1,0,0]=3 4271 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,2,0,0,0,0|1,0,0]=3 4272 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,2,0,0,0,0|1,0,0]=3 4273 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,2,0,0,0,0|1,0,0]=3 4274 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,2,0,0,0,0|1,0,0]=3 4275 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|1,0,0]=3 4276 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|1,0,0]=3 4277 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,2,0,0,0,0|1,0,0]=3 4278 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,2,0,0,0,0|1,0,0]=3 4279 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,2,0,0,0,0|1,0,0]=3 4280 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,2,0,0,0,0|1,0,0]=3 4281 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,2,0,0,0,0|1,0,0]=3 4282 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,2,0,0,0,0|1,0,0]=3 4283 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,2,0,0,0,0|1,0,0]=3 4284 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,2,0,0,0,0|1,0,0]=3 4285 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,2,0,0,0,0|1,0,0]=3 4286 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,2,0,0,0,0|1,0,0]=3 4287 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,2,0,0,0,0|1,0,0]=3 4288 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,2,0,0,0,0|1,0,0]=3 4289 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,2,0,0,0,0|1,0,0]=3 4290 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,2,0,0,0,0|1,0,0]=3 4291 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,2,0,0,0,0|1,0,0]=3 4292 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,2,0,0,0,0|1,0,0]=3 4293 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,2,0,0,0,0|1,0,0]=3 4294 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,2,0,0,0,0|1,0,0]=3 4295 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,2,0,0,0,0|1,0,0]=3 4296 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,2,0,0,0,0|1,0,0]=3 4297 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,2,0,0,0,0|1,0,0]=3 4298 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,2,0,0,0,0|1,0,0]=3 4299 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,2,0,0,0,0|1,0,0]=3 4300 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,2,0,0,0,0|1,0,0]=3 4301 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,2,0,0,0,0|1,0,0]=3 4302 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,2,0,0,0,0|1,0,0]=3 4303 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,2,0,0,0,0|1,0,0]=3 4304 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,2,0,0,0,0|1,0,0]=3 4305 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,2,0,0,0,0|1,0,0]=3 4306 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,2,0,0,0,0|1,0,0]=3 4307 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,2,0,0,0,0|1,0,0]=3 4308 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,2,0,0,0,0|1,0,0]=3 4309 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,2,0,0,0,0|1,0,0]=3 4310 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,2,0,0,0,0|1,0,0]=3 4311 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,2,0,0,0,0|1,0,0]=3 4312 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,2,0,0,0,0|1,0,0]=3 4313 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,2,0,0,0,0|1,0,0]=3 4316 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,2,0,0,0,0|1,0,0]=3 4317 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,2,0,0,0,0|1,0,0]=3 4318 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,2,0,0,0,0|1,0,0]=3 4319 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,2,0,0,0,0|1,0,0]=3 4320 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,2,0,0,0,0|1,0,0]=3 4321 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,2,0,0,0,0|1,0,0]=3 4322 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,2,0,0,0,0|1,0,0]=3 4323 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,2,0,0,0,0|1,0,0]=3 4324 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,2,0,0,0,0|1,0,0]=3 4325 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,2,0,0,0,0|1,0,0]=3 4326 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,2,0,0,0,0|1,0,0]=3 4327 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,2,0,0,0,0|1,0,0]=3 4328 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,2,0,0,0,0|1,0,0]=3 4329 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,2,0,0,0,0|1,0,0]=3 4330 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,2,0,0,0,0|1,0,0]=3 4331 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,2,0,0,0,0|1,0,0]=3 4332 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,2,0,0,0,0|1,0,0]=3 4333 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,2,0,0,0,0|1,0,0]=3 4334 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,2,0,0,0,0|1,0,0]=3 4335 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,2,0,0,0,0|1,0,0]=3 4336 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,2,0,0,0,0|1,0,0]=3 4337 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,2,0,0,0,0|1,0,0]=3 4338 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,2,0,0,0,0|1,0,0]=3 4339 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,2,0,0,0,0|1,0,0]=3 4340 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 4341 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 4342 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 4343 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,2,0,0,0,0|1,0,0]=3 4344 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,2,0,0,0,0|1,0,0]=3 4345 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,2,0,0,0,0|1,0,0]=3 4346 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,2,0,0,0,0|1,0,0]=3 4347 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,2,0,0,0,0|1,0,0]=3 4348 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,2,0,0,0,0|1,0,0]=3 4349 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,2,0,0,0,0|1,0,0]=3 4350 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,2,0,0,0,0|1,0,0]=3 4351 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [0,2,0,0,0,0|1,0,0]=3 4352 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|0,0,0]=2 4353 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|0,0,0]=2 4354 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|0,0,0]=2 4355 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|0,0,0]=2 4356 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|0,0,0]=2 4357 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|0,0,0]=2 4358 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|0,0,0]=2 4359 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|0,0,0]=2 4360 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|0,0,0]=2 4361 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|0,0,0]=2 4362 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|0,0,0]=2 4363 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|0,0,0]=2 4364 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,2,0,0,0,0|1,0,0]=3 4365 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,2,0,0,0,0|1,0,0]=3 4366 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,2,0,0,0,0|1,0,0]=3 4367 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,2,0,0,0,0|1,0,0]=3 4368 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,2,0,0,0,0|1,0,0]=3 4369 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,2,0,0,0,0|1,0,0]=3 4370 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,2,0,0,0,0|1,0,0]=3 4371 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,2,0,0,0,0|1,0,0]=3 4372 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [0,2,0,0,0,0|1,0,0]=3 4373 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,2,0,0,0,0|1,0,0]=3 4374 B12R1.1703 COC(=O)c1cnc(nc1N)O 271570a_203496583355_200009866963 [0,2,0,0,0,0|2,0,0]=4 4375 B12R1.1703 COC(=O)c1cnc(nc1O)N 271570a_203496583355_100010277515 [0,2,0,0,0,0|2,0,0]=4 4376 B12R1.1703 COC(=O)c1n[nH]c(=O)cc1O 271570a_203496583355_200021564684 [0,2,0,0,0,0|2,0,0]=4 4377 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,2,0,0,0,0|1,0,0]=3 4378 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [0,2,0,0,0,0|1,0,0]=3 4379 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [0,2,0,0,0,0|1,0,0]=3 4380 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,2,0,0,0,0|1,0,0]=3 4381 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,2,0,0,0,0|1,0,0]=3 4382 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,2,0,0,0,0|1,0,0]=3 4383 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [0,2,0,0,0,0|1,0,1]=4 4385 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [0,2,0,0,0,0|1,0,1]=4 4386 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 34a_100000743050_200000210301 [0,2,0,0,0,0|1,0,1]=4 4387 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 7a_100000743050_200000210301 [0,2,0,0,0,0|1,0,1]=4 4388 B12R1.1703 COC(C)c1ccc(cc1Cl)F 34a_200011245020_200000210301 [0,2,0,0,0,0|1,0,1]=4 4389 B12R1.1703 COC(C)c1ccc(cc1Cl)F 7a_200011245020_200000210301 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.1703 COC(C)c1ccc(cc1F)Cl 34a_200011805215_200000210301 [0,2,0,0,0,0|1,0,1]=4 4391 B12R1.1703 COC(C)c1ccc(cc1F)Cl 7a_200011805215_200000210301 [0,2,0,0,0,0|1,0,1]=4 4392 B12R1.1703 COC(C)c1ccc(cc1F)F 34a_200000246518_200000210301 [0,2,0,0,0,0|1,0,1]=4 4393 B12R1.1703 COC(C)c1ccc(cc1F)F 7a_200000246518_200000210301 [0,2,0,0,0,0|1,0,1]=4 4394 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [0,2,0,0,0,0|1,0,1]=4 4402 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [0,2,0,0,0,0|1,0,1]=4 4403 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.1703 O=C(CF)c1ccc(cc1Br)Br 1458a_100000762965_100015361967 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.1703 O=C(CF)c1ccc(cc1Br)Cl 1458a_100000766353_100015361967 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.1703 O=C(CF)c1ccc(cc1Br)F 1458a_100000212304_100015361967 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.1703 O=C(CF)c1ccc(cc1Br)I 1458a_100012360512_100015361967 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Br 1458a_100000741628_100015361967 [0,2,0,0,0,0|2,0,0]=4 4415 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015361967 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.1703 O=C(CF)c1ccc(cc1Cl)F 1458a_100000211397_100015361967 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.1703 O=C(CF)c1ccc(cc1Cl)I 1458a_100000751301_100015361967 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.1703 O=C(CF)c1ccc(cc1F)Br 1458a_100000214689_100015361967 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.1703 O=C(CF)c1ccc(cc1F)Cl 1458a_100000212326_100015361967 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.1703 O=C(CF)c1ccc(cc1F)F 1458a_100000211022_100015361967 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.1703 O=C(CF)c1ccc(cc1F)I 1458a_100000037189_100015361967 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.1703 O=C(CF)c1ccc(cc1I)Br 1458a_100000751167_100015361967 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.1703 O=C(CF)c1ccc(cc1I)Cl 1458a_100000739380_100015361967 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.1703 O=C(CF)c1ccc(cc1I)F 1458a_100000739341_100015361967 [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.24 CC(O[13CH3])c1cccc(c1F)Br 34a_200012356376_200025704644 [0,2,0,0,0,0|1,0,1]=4 4433 B12R1.24 CC(O[13CH3])c1cccc(c1F)Br 7a_200012356376_200025704644 [0,2,0,0,0,0|1,0,1]=4 4434 B12R1.24 CC(O[13CH3])c1cccc(c1F)F 34a_100011944069_200025704644 [0,2,0,0,0,0|1,0,1]=4 4435 B12R1.24 CC(O[13CH3])c1cccc(c1F)F 7a_100011944069_200025704644 [0,2,0,0,0,0|1,0,1]=4 4436 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,2,0,0,0,0|1,0,0]=3 4437 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|1,0,0]=3 4438 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,2,0,0,0,0|1,0,0]=3 4439 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,2,0,0,0,0|1,0,0]=3 4440 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,2,0,0,0,0|1,0,0]=3 4441 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,2,0,0,0,0|1,0,0]=3 4442 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|1,0,0]=3 4443 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|1,0,0]=3 4444 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|1,0,0]=3 4445 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|1,0,0]=3 4446 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|1,0,0]=3 4447 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,2,0,0,0,0|1,0,0]=3 4449 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|1,0,0]=3 4450 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,2,0,0,0,0|1,0,0]=3 4451 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,2,0,0,0,0|1,0,0]=3 4454 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,2,0,0,0,0|1,0,0]=3 4455 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|1,0,0]=3 4456 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,2,0,0,0,0|1,0,0]=3 4457 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,2,0,0,0,0|1,0,0]=3 4458 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,2,0,0,0,0|1,0,0]=3 4459 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,2,0,0,0,0|1,0,0]=3 4460 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,2,0,0,0,0|1,0,0]=3 4461 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|1,0,0]=3 4462 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,2,0,0,0,0|1,0,0]=3 4463 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,2,0,0,0,0|1,0,0]=3 4464 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,2,0,0,0,0|1,0,0]=3 4465 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|1,0,0]=3 4466 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|1,0,0]=3 4468 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|1,0,0]=3 4469 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|1,0,0]=3 4470 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,2,0,0,0,0|1,0,0]=3 4471 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 4472 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 4473 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,2,0,0,0,0|1,0,0]=3 4474 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|1,0,0]=3 4475 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|1,0,0]=3 4476 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|1,0,0]=3 4477 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|1,0,0]=3 4478 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,2,0,0,0,0|1,0,0]=3 4479 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 4480 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 4481 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,2,0,0,0,0|1,0,0]=3 4482 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,2,0,0,0,0|1,0,0]=3 4483 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 4484 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 4485 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,2,0,0,0,0|1,0,0]=3 4486 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,2,0,0,0,0|1,0,0]=3 4487 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 4488 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 4489 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,2,0,0,0,0|1,0,0]=3 4490 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 4492 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|1,0,0]=3 4493 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 4494 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 4495 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|1,0,0]=3 4496 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|1,0,0]=3 4497 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|1,0,0]=3 4498 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|1,0,0]=3 4499 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|1,0,0]=3 4500 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|1,0,0]=3 4501 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 4502 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 4503 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|1,0,0]=3 4504 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|1,0,0]=3 4505 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 4506 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 4507 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|1,0,0]=3 4508 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|1,0,0]=3 4509 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 4510 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 4511 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|1,0,0]=3 4512 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 4513 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 4514 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,2,0,0,0,0|1,0,0]=3 4515 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 4516 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,2,0,0,0,0|1,0,0]=3 4518 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,2,0,0,0,0|1,0,0]=3 4523 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,2,0,0,0,0|1,0,0]=3 4526 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,2,0,0,0,0|1,0,0]=3 4527 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 4529 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,2,0,0,0,0|1,0,0]=3 4530 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,2,0,0,0,0|1,0,0]=3 4531 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 4533 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,2,0,0,0,0|1,0,0]=3 4534 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 4535 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 4536 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,2,0,0,0,0|1,0,0]=3 4537 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 4538 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,2,0,0,0,0|1,0,0]=3 4540 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|1,0,0]=3 4541 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|1,0,0]=3 4542 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|1,0,0]=3 4543 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|1,0,0]=3 4544 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,2,0,0,0,0|1,0,0]=3 4545 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 4546 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 4547 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,2,0,0,0,0|1,0,0]=3 4548 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,2,0,0,0,0|1,0,0]=3 4549 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 4550 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 4551 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,2,0,0,0,0|1,0,0]=3 4552 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,2,0,0,0,0|1,0,0]=3 4553 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 4554 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 4555 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,2,0,0,0,0|1,0,0]=3 4556 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 4557 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 4558 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,2,0,0,0,0|1,0,0]=3 4559 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 4560 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 4561 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,2,0,0,0,0|1,0,0]=3 4562 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|1,0,0]=3 4563 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|1,0,0]=3 4564 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|1,0,0]=3 4565 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|1,0,0]=3 4566 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,2,0,0,0,0|1,0,0]=3 4567 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 4568 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 4569 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,2,0,0,0,0|1,0,0]=3 4570 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 4572 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 4573 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,2,0,0,0,0|1,0,0]=3 4574 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,2,0,0,0,0|1,0,0]=3 4575 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 4576 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 4577 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|1,0,0]=3 4578 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|1,0,0]=3 4579 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 4580 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 4581 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 4582 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|1,0,0]=3 4584 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,2,0,0,0,0|0,0,0]=2 4586 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|0,0,0]=2 4587 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,2,0,0,0,0|0,0,0]=2 4588 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,2,0,0,0,0|0,0,0]=2 4589 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|0,0,0]=2 4590 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|0,0,0]=2 4591 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|0,0,0]=2 4592 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|0,0,0]=2 4593 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|0,0,0]=2 4594 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|0,0,0]=2 4595 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,2,0,0,0,0|1,0,0]=3 4596 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [0,2,0,0,0,0|1,0,0]=3 4597 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [0,2,0,0,0,0|1,0,0]=3 4598 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,2,0,0,0,0|1,0,0]=3 4599 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,2,0,0,0,0|1,0,0]=3 4600 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,2,0,0,0,0|1,0,0]=3 4601 B12R1.24 COC(C)c1cccc(c1C)C 34a_100138415774_100012183177 [0,2,0,0,0,0|1,0,1]=4 4602 B12R1.24 COC(C)c1cccc(c1F)Br 34a_200012356376_200000210301 [0,2,0,0,0,0|1,0,1]=4 4603 B12R1.24 COC(C)c1cccc(c1F)Br 7a_200012356376_200000210301 [0,2,0,0,0,0|1,0,1]=4 4604 B12R1.24 COC(C)c1cccc(c1F)F 34a_100011944069_200000210301 [0,2,0,0,0,0|1,0,1]=4 4605 B12R1.24 COC(C)c1cccc(c1F)F 7a_100011944069_200000210301 [0,2,0,0,0,0|1,0,1]=4 4606 B12R1.24 COC(C)c1cccc(c1F)O 271570a_203496583355_200010365929 [0,2,0,0,0,0|1,0,1]=4 4607 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,2,0,0,0,0|2,0,0]=4 4608 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,2,0,0,0,0|2,0,0]=4 4609 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,2,0,0,0,0|2,0,0]=4 4610 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,2,0,0,0,0|2,0,0]=4 4611 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,2,0,0,0,0|2,0,0]=4 4612 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,2,0,0,0,0|2,0,0]=4 4613 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,2,0,0,0,0|2,0,0]=4 4614 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|2,0,0]=4 4615 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,2,0,0,0,0|2,0,0]=4 4616 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,2,0,0,0,0|2,0,0]=4 4617 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,2,0,0,0,0|2,0,0]=4 4618 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|2,0,0]=4 4619 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,2,0,0,0,0|2,0,0]=4 4623 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,2,0,0,0,0|2,0,0]=4 4627 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,2,0,0,0,0|2,0,0]=4 4628 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,2,0,0,0,0|2,0,0]=4 4629 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,2,0,0,0,0|2,0,0]=4 4632 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,2,0,0,0,0|2,0,0]=4 4636 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,2,0,0,0,0|2,0,0]=4 4637 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,2,0,0,0,0|2,0,0]=4 4649 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [0,2,0,0,0,0|1,0,0]=3 4650 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [0,2,0,0,0,0|1,0,0]=3 4651 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.225 CN(C)C(=O)c1cc(ccn1)O 271570a_203496583355_200000198538 [0,2,0,0,0,0|2,0,0]=4 4656 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 11a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 4657 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 1626a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 240690a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 527a_100102631434_100000210664 [0,2,0,0,0,0|1,0,0]=3 4660 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 11a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 1626a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 240690a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 527a_100102631434_100000210390 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.225 CN(C)C(=O)c1cccc(c1)F 11a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 4665 B12R1.225 CN(C)C(=O)c1cccc(c1)F 1626a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 4666 B12R1.225 CN(C)C(=O)c1cccc(c1)F 240690a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 4667 B12R1.225 CN(C)C(=O)c1cccc(c1)F 527a_100102631434_100000210950 [0,2,0,0,0,0|1,0,0]=3 4668 B12R1.225 CN(C)C(=O)c1cccc(c1)I 11a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.225 CN(C)C(=O)c1cccc(c1)I 1626a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.225 CN(C)C(=O)c1cccc(c1)I 240690a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 4671 B12R1.225 CN(C)C(=O)c1cccc(c1)I 527a_100102631434_100000184098 [0,2,0,0,0,0|1,0,0]=3 4672 B12R1.225 CN(C)C(=O)c1cccc(c1)O 240690a_100102631434_100000183914 [0,2,0,0,0,0|1,0,0]=3 4673 B12R1.225 CN(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000159571 [0,2,0,0,0,0|1,0,0]=3 4674 B12R1.225 CN(C)C(=O)c1cccc(c1)O 527a_100102631434_100000183914 [0,2,0,0,0,0|1,0,0]=3 4675 B12R1.225 CN(C)C(=O)c1ccnc(c1)O 271570a_203496583355_100000229821 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.225 CN(C)C(=O)c1cncc(c1)O 271570a_203496583355_200000159598 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,2,0,0,0,0|1,0,0]=3 4678 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 4679 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 4680 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000189346 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.354 CC(O[13CH3])c1cc(ccc1Cl)Cl 34a_100000742519_200025704644 [0,2,0,0,0,0|1,0,1]=4 4683 B12R1.354 CC(O[13CH3])c1cc(ccc1Cl)Cl 7a_100000742519_200025704644 [0,2,0,0,0,0|1,0,1]=4 4684 B12R1.354 CC(O[13CH3])c1cc(ccc1F)Br 34a_100011943926_200025704644 [0,2,0,0,0,0|1,0,1]=4 4685 B12R1.354 CC(O[13CH3])c1cc(ccc1F)Br 7a_100011943926_200025704644 [0,2,0,0,0,0|1,0,1]=4 4686 B12R1.354 CC(O[13CH3])c1cc(ccc1F)F 34a_100000246540_200025704644 [0,2,0,0,0,0|1,0,1]=4 4687 B12R1.354 CC(O[13CH3])c1cc(ccc1F)F 7a_100000246540_200025704644 [0,2,0,0,0,0|1,0,1]=4 4688 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,2,0,0,0,0|1,0,0]=3 4689 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|1,0,0]=3 4690 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,2,0,0,0,0|1,0,0]=3 4691 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,2,0,0,0,0|1,0,0]=3 4692 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,2,0,0,0,0|1,0,0]=3 4693 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,2,0,0,0,0|1,0,0]=3 4694 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|1,0,0]=3 4695 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|1,0,0]=3 4696 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|1,0,0]=3 4697 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|1,0,0]=3 4698 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|1,0,0]=3 4699 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|1,0,0]=3 4700 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,2,0,0,0,0|1,0,0]=3 4701 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|1,0,0]=3 4702 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,2,0,0,0,0|1,0,0]=3 4703 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,2,0,0,0,0|1,0,0]=3 4704 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,2,0,0,0,0|1,0,0]=3 4705 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,2,0,0,0,0|1,0,0]=3 4706 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,2,0,0,0,0|1,0,0]=3 4707 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|1,0,0]=3 4708 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,2,0,0,0,0|1,0,0]=3 4709 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,2,0,0,0,0|1,0,0]=3 4711 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,2,0,0,0,0|1,0,0]=3 4712 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,2,0,0,0,0|1,0,0]=3 4713 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|1,0,0]=3 4714 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,2,0,0,0,0|1,0,0]=3 4715 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,2,0,0,0,0|1,0,0]=3 4716 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,2,0,0,0,0|1,0,0]=3 4717 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,2,0,0,0,0|1,0,0]=3 4718 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|1,0,0]=3 4719 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|1,0,0]=3 4720 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|1,0,0]=3 4721 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|1,0,0]=3 4722 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|1,0,0]=3 4723 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|1,0,0]=3 4724 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|1,0,0]=3 4725 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,2,0,0,0,0|1,0,0]=3 4726 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 4727 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 4728 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,2,0,0,0,0|1,0,0]=3 4729 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|1,0,0]=3 4730 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|1,0,0]=3 4731 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|1,0,0]=3 4732 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|1,0,0]=3 4733 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,2,0,0,0,0|1,0,0]=3 4734 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 4735 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 4736 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,2,0,0,0,0|1,0,0]=3 4737 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,2,0,0,0,0|1,0,0]=3 4738 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 4739 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 4740 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,2,0,0,0,0|1,0,0]=3 4741 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,2,0,0,0,0|1,0,0]=3 4742 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 4743 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 4744 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,2,0,0,0,0|1,0,0]=3 4745 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 4746 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 4747 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|1,0,0]=3 4748 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 4749 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 4750 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|1,0,0]=3 4751 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|1,0,0]=3 4752 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|1,0,0]=3 4753 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|1,0,0]=3 4754 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|1,0,0]=3 4755 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|1,0,0]=3 4756 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 4757 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 4758 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|1,0,0]=3 4759 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|1,0,0]=3 4760 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 4761 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 4762 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|1,0,0]=3 4763 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|1,0,0]=3 4764 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 4765 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 4766 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|1,0,0]=3 4767 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|1,0,0]=3 4768 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,2,0,0,0,0|1,0,0]=3 4769 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 4770 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 4771 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,2,0,0,0,0|1,0,0]=3 4772 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|1,0,0]=3 4773 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|1,0,0]=3 4774 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|1,0,0]=3 4775 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|1,0,0]=3 4776 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,2,0,0,0,0|1,0,0]=3 4777 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 4778 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 4779 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,2,0,0,0,0|1,0,0]=3 4780 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,2,0,0,0,0|1,0,0]=3 4781 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 4782 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 4783 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,2,0,0,0,0|1,0,0]=3 4784 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,2,0,0,0,0|1,0,0]=3 4785 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 4786 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 4787 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,2,0,0,0,0|1,0,0]=3 4788 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 4789 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 4790 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,2,0,0,0,0|1,0,0]=3 4791 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 4792 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 4793 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,2,0,0,0,0|1,0,0]=3 4794 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|1,0,0]=3 4795 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|1,0,0]=3 4796 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|1,0,0]=3 4797 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|1,0,0]=3 4798 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,2,0,0,0,0|1,0,0]=3 4799 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 4800 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 4801 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,2,0,0,0,0|1,0,0]=3 4802 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,2,0,0,0,0|1,0,0]=3 4803 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 4804 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 4805 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,2,0,0,0,0|1,0,0]=3 4806 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,2,0,0,0,0|1,0,0]=3 4807 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 4808 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 4809 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,2,0,0,0,0|1,0,0]=3 4810 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 4811 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,2,0,0,0,0|1,0,0]=3 4812 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 4813 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,2,0,0,0,0|1,0,0]=3 4814 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,2,0,0,0,0|1,0,0]=3 4815 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,2,0,0,0,0|1,0,0]=3 4816 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|1,0,0]=3 4817 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|1,0,0]=3 4818 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|1,0,0]=3 4819 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|1,0,0]=3 4820 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,2,0,0,0,0|1,0,0]=3 4821 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 4822 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 4823 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,2,0,0,0,0|1,0,0]=3 4824 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,2,0,0,0,0|1,0,0]=3 4825 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 4826 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 4827 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,2,0,0,0,0|1,0,0]=3 4828 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,2,0,0,0,0|1,0,0]=3 4829 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 4830 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 4831 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,2,0,0,0,0|1,0,0]=3 4832 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 4833 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 4834 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 4835 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,2,0,0,0,0|1,0,0]=3 4836 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 4837 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 4838 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 4839 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|1,0,0]=3 4840 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|1,0,0]=3 4841 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|1,0,0]=3 4842 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 4843 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 4844 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|1,0,0]=3 4845 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 4846 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 4847 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|1,0,0]=3 4848 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 4849 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 4850 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 4851 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,2,0,0,0,0|0,0,0]=2 4853 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|0,0,0]=2 4854 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,2,0,0,0,0|0,0,0]=2 4855 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,2,0,0,0,0|0,0,0]=2 4856 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,2,0,0,0,0|0,0,0]=2 4857 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|0,0,0]=2 4858 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|0,0,0]=2 4859 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|0,0,0]=2 4860 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|0,0,0]=2 4861 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|0,0,0]=2 4862 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|0,0,0]=2 4863 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|0,0,0]=2 4864 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,2,0,0,0,0|1,0,0]=3 4865 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,2,0,0,0,0|1,0,0]=3 4866 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,2,0,0,0,0|1,0,0]=3 4867 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,2,0,0,0,0|1,0,0]=3 4868 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,2,0,0,0,0|1,0,0]=3 4869 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,2,0,0,0,0|1,0,0]=3 4870 B12R1.354 COC(=O)c1cc(n[nH]c1=O)O 271570a_203496583355_100009885168 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,2,0,0,0,0|1,0,0]=3 4872 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [0,2,0,0,0,0|1,0,0]=3 4873 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [0,2,0,0,0,0|1,0,0]=3 4874 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,2,0,0,0,0|1,0,0]=3 4875 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,2,0,0,0,0|1,0,0]=3 4876 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,2,0,0,0,0|1,0,0]=3 4877 B12R1.354 COC(=O)c1nc(=O)[nH]cc1O 271570a_203496583355_100000093369 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,2,0,0,0,0|1,0,0]=3 4879 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,2,0,0,0,0|1,0,0]=3 4880 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,2,0,0,0,0|1,0,0]=3 4881 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,2,0,0,0,0|1,0,0]=3 4882 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,2,0,0,0,0|1,0,0]=3 4883 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,2,0,0,0,0|1,0,0]=3 4884 B12R1.354 COC(=O)c1nc(cnc1C)O 271570a_203496583355_100010884432 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.354 COC(=O)c1nc(cnc1N)O 271570a_203496583355_100000076761 [0,2,0,0,0,0|2,0,0]=4 4886 B12R1.354 COC(=O)c1nc(ncc1O)N 271570a_203496583355_100010219261 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.354 COC(C)c1cc(ccc1C)C 34a_200000246511_200000210301 [0,2,0,0,0,0|1,0,1]=4 4888 B12R1.354 COC(C)c1cc(ccc1C)C 7a_200000246511_200000210301 [0,2,0,0,0,0|1,0,1]=4 4889 B12R1.354 COC(C)c1cc(ccc1C)Cl 34a_100012002745_200000210301 [0,2,0,0,0,0|1,0,1]=4 4890 B12R1.354 COC(C)c1cc(ccc1C)Cl 7a_100012002745_200000210301 [0,2,0,0,0,0|1,0,1]=4 4891 B12R1.354 COC(C)c1cc(ccc1Cl)Cl 34a_100000742519_200000210301 [0,2,0,0,0,0|1,0,1]=4 4892 B12R1.354 COC(C)c1cc(ccc1Cl)Cl 7a_100000742519_200000210301 [0,2,0,0,0,0|1,0,1]=4 4893 B12R1.354 COC(C)c1cc(ccc1F)Br 34a_100011943926_200000210301 [0,2,0,0,0,0|1,0,1]=4 4894 B12R1.354 COC(C)c1cc(ccc1F)Br 7a_100011943926_200000210301 [0,2,0,0,0,0|1,0,1]=4 4895 B12R1.354 COC(C)c1cc(ccc1F)F 34a_100000246540_200000210301 [0,2,0,0,0,0|1,0,1]=4 4896 B12R1.354 COC(C)c1cc(ccc1F)F 7a_100000246540_200000210301 [0,2,0,0,0,0|1,0,1]=4 4897 B12R1.354 CO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_200000210301 [0,2,0,0,0,0|1,0,1]=4 4898 B12R1.354 CO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_200000210301 [0,2,0,0,0,0|1,0,1]=4 4899 B12R1.354 C[C@H](O[13CH3])c1cc(ccc1I)F 34a_100134768474_200025704644 [0,2,0,0,0,0|1,0,1]=4 4900 B12R1.354 C[C@H](O[13CH3])c1cc(ccc1I)F 7a_100134768474_200025704644 [0,2,0,0,0,0|1,0,1]=4 4901 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,2,0,0,0,0|2,0,0]=4 4902 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|2,0,0]=4 4903 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,2,0,0,0,0|2,0,0]=4 4904 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,2,0,0,0,0|2,0,0]=4 4905 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,2,0,0,0,0|2,0,0]=4 4906 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|2,0,0]=4 4907 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 34a_200000246511_200025704644 [0,2,0,0,0,0|1,0,1]=4 4908 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 7a_200000246511_200025704644 [0,2,0,0,0,0|1,0,1]=4 4909 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,2,0,0,0,0|2,0,0]=4 4911 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,2,0,0,0,0|2,0,0]=4 4912 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,2,0,0,0,0|2,0,0]=4 4913 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,2,0,0,0,0|2,0,0]=4 4914 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 34a_100012002745_200025704644 [0,2,0,0,0,0|1,0,1]=4 4915 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 7a_100012002745_200025704644 [0,2,0,0,0,0|1,0,1]=4 4916 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,2,0,0,0,0|2,0,0]=4 4917 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,2,0,0,0,0|2,0,0]=4 4921 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,2,0,0,0,0|2,0,0]=4 4922 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,2,0,0,0,0|2,0,0]=4 4923 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,2,0,0,0,0|2,0,0]=4 4925 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,2,0,0,0,0|2,0,0]=4 4928 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,2,0,0,0,0|2,0,0]=4 4929 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,2,0,0,0,0|2,0,0]=4 4930 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,2,0,0,0,0|2,0,0]=4 4945 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210202 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210202 [0,2,0,0,0,0|1,0,0]=3 4948 B12R1.358 CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210202 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [0,2,0,0,0,0|1,0,0]=3 4950 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,2,0,0,0,0|1,0,0]=3 4951 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,2,0,0,0,0|1,0,0]=3 4952 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [0,2,0,0,0,0|1,0,0]=3 4953 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210202 [0,2,0,0,0,0|1,0,0]=3 4954 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [0,2,0,0,0,0|1,0,0]=3 4955 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,2,0,0,0,0|1,0,0]=3 4956 B12R1.358 CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210202 [0,2,0,0,0,0|1,0,0]=3 4957 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [0,2,0,0,0,0|1,0,0]=3 4958 B12R1.358 CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210202 [0,2,0,0,0,0|1,0,0]=3 4959 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,2,0,0,0,0|1,0,0]=3 4960 B12R1.358 CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210202 [0,2,0,0,0,0|1,0,0]=3 4961 B12R1.358 CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210202 [0,2,0,0,0,0|1,0,0]=3 4962 B12R1.358 CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210202 [0,2,0,0,0,0|1,0,0]=3 4963 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,2,0,0,0,0|1,0,0]=3 4964 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 11a_106832991635_100000687083 [0,2,0,0,0,0|1,0,0]=3 4965 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 1626a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 4966 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 240690a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 4967 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 527a_100102657272_100000687083 [0,2,0,0,0,0|1,0,0]=3 4968 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,2,0,0,0,0|1,0,0]=3 4969 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,2,0,0,0,0|1,0,0]=3 4970 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,2,0,0,0,0|1,0,0]=3 4971 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,2,0,0,0,0|1,0,0]=3 4972 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 11a_106832991635_100000687899 [0,2,0,0,0,0|1,0,0]=3 4973 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 1626a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 4974 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 240690a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 4975 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 527a_100102657272_100000687899 [0,2,0,0,0,0|1,0,0]=3 4976 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 11a_106832991635_100000739618 [0,2,0,0,0,0|1,0,0]=3 4977 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 1626a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 4978 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 240690a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 4979 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 527a_100102657272_100000739618 [0,2,0,0,0,0|1,0,0]=3 4980 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 4981 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 4982 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,2,0,0,0,0|1,0,0]=3 4983 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,2,0,0,0,0|1,0,0]=3 4984 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,2,0,0,0,0|1,0,0]=3 4985 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,2,0,0,0,0|1,0,0]=3 4986 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,2,0,0,0,0|1,0,0]=3 4987 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,2,0,0,0,0|1,0,0]=3 4988 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,2,0,0,0,0|1,0,0]=3 4989 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,2,0,0,0,0|1,0,0]=3 4990 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 11a_106832991635_100000210701 [0,2,0,0,0,0|1,0,0]=3 4991 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 4992 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 4993 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 527a_100102657272_100000210701 [0,2,0,0,0,0|1,0,0]=3 4994 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 11a_106832991635_100000685768 [0,2,0,0,0,0|1,0,0]=3 4995 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 1626a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 4996 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 240690a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 4997 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 527a_100102657272_100000685768 [0,2,0,0,0,0|1,0,0]=3 4998 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 4999 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 5000 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,2,0,0,0,0|1,0,0]=3 5001 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,2,0,0,0,0|1,0,0]=3 5002 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,2,0,0,0,0|1,0,0]=3 5003 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,2,0,0,0,0|1,0,0]=3 5004 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 11a_106832991635_100000211655 [0,2,0,0,0,0|1,0,0]=3 5005 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 1626a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 5006 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 240690a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 5007 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 527a_100102657272_100000211655 [0,2,0,0,0,0|1,0,0]=3 5008 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [0,2,0,0,0,0|1,0,0]=3 5009 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 5010 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [0,2,0,0,0,0|1,0,0]=3 5011 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 5012 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 11a_106832991635_100000689235 [0,2,0,0,0,0|1,0,0]=3 5013 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 1626a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 5014 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 240690a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 5015 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 527a_100102657272_100000689235 [0,2,0,0,0,0|1,0,0]=3 5016 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,2,0,0,0,0|1,0,0]=3 5017 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,2,0,0,0,0|1,0,0]=3 5018 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,2,0,0,0,0|1,0,0]=3 5019 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,2,0,0,0,0|1,0,0]=3 5020 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 11a_106832991635_100012047205 [0,2,0,0,0,0|1,0,0]=3 5021 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 1626a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 5022 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 240690a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 5023 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 527a_100102657272_100012047205 [0,2,0,0,0,0|1,0,0]=3 5024 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 11a_106832991635_100012047268 [0,2,0,0,0,0|1,0,0]=3 5025 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 1626a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 5026 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 240690a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 5027 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 527a_100102657272_100012047268 [0,2,0,0,0,0|1,0,0]=3 5028 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 11a_106832991635_100011204819 [0,2,0,0,0,0|1,0,0]=3 5029 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 1626a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 5030 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 240690a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 5031 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 527a_100102657272_100011204819 [0,2,0,0,0,0|1,0,0]=3 5032 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,2,0,0,0,0|1,0,0]=3 5033 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,2,0,0,0,0|1,0,0]=3 5034 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 5035 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 5036 B12R1.358 COC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100012339729 [0,2,0,0,0,0|0,0,0]=2 5037 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [0,2,0,0,0,0|0,0,0]=2 5038 B12R1.358 COC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100000698578 [0,2,0,0,0,0|0,0,0]=2 5039 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,2,0,0,0,0|0,0,0]=2 5040 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [0,2,0,0,0,0|0,0,0]=2 5041 B12R1.358 COC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100000696291 [0,2,0,0,0,0|0,0,0]=2 5042 B12R1.358 COC(=O)c1cc(cc(n1)O)C 271570a_203496583355_100009865194 [0,2,0,0,0,0|1,0,0]=3 5043 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [0,2,0,0,0,0|1,0,0]=3 5044 B12R1.358 COC(=O)c1cc(nc(c1)O)N 271570a_203496583355_100000062536 [0,2,0,0,0,0|1,0,0]=3 5045 B12R1.358 COC(=O)c1cc(nc(n1)O)C 271570a_203496583355_100000724386 [0,2,0,0,0,0|2,0,0]=4 5046 B12R1.358 CO[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_200000210301 [0,2,0,0,0,0|1,0,1]=4 5047 B12R1.358 CO[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_200000210301 [0,2,0,0,0,0|1,0,1]=4 5048 B12R1.358 C[C@H](O[13CH3])c1cc(cc(c1)F)F 34a_100012136759_200025704644 [0,2,0,0,0,0|1,0,1]=4 5049 B12R1.358 C[C@H](O[13CH3])c1cc(cc(c1)F)F 7a_100012136759_200025704644 [0,2,0,0,0,0|1,0,1]=4 5050 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Br 1458a_100000760426_100015361967 [0,2,0,0,0,0|2,0,0]=4 5051 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,2,0,0,0,0|2,0,0]=4 5052 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100000684526_100015361967 [0,2,0,0,0,0|2,0,0]=4 5053 B12R1.358 Cc1cc(cc(c1)C(=O)CF)F 1458a_100000763163_100015361967 [0,2,0,0,0,0|2,0,0]=4 5054 B12R1.358 Cc1cc(cc(c1)C(=O)CF)I 1458a_100000729426_100015361967 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [0,2,0,0,0,0|2,0,0]=4 5056 B12R1.358 NNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100011279999 [0,2,0,0,0,0|2,0,0]=4 5057 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Br 1458a_100000687083_100015361967 [0,2,0,0,0,0|2,0,0]=4 5058 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100015361967 [0,2,0,0,0,0|2,0,0]=4 5059 B12R1.358 O=C(CF)c1cc(cc(c1)Br)F 1458a_100000739618_100015361967 [0,2,0,0,0,0|2,0,0]=4 5060 B12R1.358 O=C(CF)c1cc(cc(c1)Br)O 1458a_100011934545_100015361967 [0,2,0,0,0,0|2,0,0]=4 5061 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100015361967 [0,2,0,0,0,0|2,0,0]=4 5062 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)F 1458a_100000685768_100015361967 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)O 1458a_100011997059_100015361967 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.358 O=C(CF)c1cc(cc(c1)F)F 1458a_100000211655_100015361967 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.358 O=C(CF)c1cc(cc(c1)F)O 1458a_100012017291_100015361967 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.358 O=C(CF)c1cc(cc(c1)I)Br 1458a_100000689235_100015361967 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.358 O=C(CF)c1cc(cc(c1)I)Cl 1458a_100012047205_100015361967 [0,2,0,0,0,0|2,0,0]=4 5068 B12R1.358 O=C(CF)c1cc(cc(c1)I)F 1458a_100012047268_100015361967 [0,2,0,0,0,0|2,0,0]=4 5069 B12R1.358 O=C(CF)c1cc(cc(c1)I)I 1458a_100011204819_100015361967 [0,2,0,0,0,0|2,0,0]=4 5070 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [0,2,0,0,0,0|1,0,0]=3 5071 B12R1.435 C#Cc1cccc(c1)C(=O)CF 1458a_100011997762_100015361967 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [0,2,0,0,0,0|1,0,0]=3 5073 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [0,2,0,0,0,0|1,0,0]=3 5074 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [0,2,0,0,0,0|1,0,0]=3 5075 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [0,2,0,0,0,0|1,0,0]=3 5076 B12R1.435 C=Cc1cc(ccn1)C(=O)NC 271570a_100011290941_100011196506 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,2,0,0,0,0|1,0,0]=3 5078 B12R1.435 C=Cc1cc(cnn1)C(=O)OC 271570a_100011290941_100009862058 [0,2,0,0,0,0|2,0,0]=4 5079 B12R1.435 C=Cc1cc(ncn1)C(=O)OC 271570a_100011290941_100000051410 [0,2,0,0,0,0|2,0,0]=4 5080 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,2,0,0,0,0|2,0,0]=4 5081 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,2,0,0,0,0|2,0,0]=4 5082 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,2,0,0,0,0|1,0,0]=3 5083 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,2,0,0,0,0|1,0,0]=3 5084 B12R1.435 C=Cc1cccc(c1)C(=O)CF 1458a_100011215009_100015361967 [0,2,0,0,0,0|2,0,0]=4 5085 B12R1.435 C=Cc1cccc(c1)C(=O)CN 271570a_100011290941_100020587001 [0,2,0,0,0,0|2,0,0]=4 5086 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,2,0,0,0,0|1,0,0]=3 5087 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,2,0,0,0,0|1,0,0]=3 5088 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,2,0,0,0,0|1,0,0]=3 5089 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,2,0,0,0,0|1,0,0]=3 5090 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,2,0,0,0,0|1,0,0]=3 5091 B12R1.435 C=Cc1cccc(c1)C(=O)NN 271570a_100011290941_100000189783 [0,2,0,0,0,0|2,0,0]=4 5092 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,2,0,0,0,0|0,0,0]=2 5093 B12R1.435 C=Cc1cccc(n1)C(=O)CC 271570a_100011290941_100011004013 [0,2,0,0,0,0|2,0,0]=4 5094 B12R1.435 C=Cc1cccc(n1)C(=O)NC 271570a_100011290941_100000755456 [0,2,0,0,0,0|2,0,0]=4 5095 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [0,2,0,0,0,0|1,0,0]=3 5096 B12R1.435 C=Cc1ccnc(c1)C(=O)CC 271570a_100011290941_200000094848 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.435 C=Cc1ccnc(c1)C(=O)NC 271570a_100011290941_100000204654 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,2,0,0,0,0|1,0,0]=3 5099 B12R1.435 C=Cc1cncc(c1)C(=O)NC 271570a_100011290941_200000155086 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,2,0,0,0,0|1,0,0]=3 5101 B12R1.435 C=Cc1cncc(n1)C(=O)OC 271570a_100011290941_100000765340 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.435 C=Cc1nccc(n1)C(=O)OC 271570a_100011290941_100000070389 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000094848_200000210301 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000210301_200000094848 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200000094848_200025704644 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_200000094848 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [0,2,0,0,0,0|1,0,0]=3 5108 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|1,0,0]=3 5109 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,2,0,0,0,0|1,0,0]=3 5110 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|1,0,0]=3 5111 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 5112 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 5113 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 5114 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 5115 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|1,0,0]=3 5116 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|1,0,0]=3 5117 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|1,0,0]=3 5118 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|1,0,0]=3 5119 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|1,0,0]=3 5120 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_100011004013_200000210301 [0,2,0,0,0,0|2,0,0]=4 5121 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_200000210301_100011004013 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_100011004013_200025704644 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100011004013 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|1,0,0]=3 5126 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|1,0,0]=3 5127 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|1,0,0]=3 5128 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|1,0,0]=3 5129 B12R1.435 CNC(=O)c1cc(ccn1)NC 27a_100102657272_100000204654 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_100000204654_200000210301 [0,2,0,0,0,0|2,0,0]=4 5131 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_200000210301_100000204654 [0,2,0,0,0,0|2,0,0]=4 5132 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_100000204654_200025704644 [0,2,0,0,0,0|2,0,0]=4 5133 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000204654 [0,2,0,0,0,0|2,0,0]=4 5134 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [0,2,0,0,0,0|1,0,0]=3 5135 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [0,2,0,0,0,0|1,0,0]=3 5136 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [0,2,0,0,0,0|1,0,0]=3 5137 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [0,2,0,0,0,0|1,0,0]=3 5138 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,2,0,0,0,0|1,0,0]=3 5139 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|1,0,0]=3 5140 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|1,0,0]=3 5141 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|1,0,0]=3 5142 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 5143 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 5144 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 5145 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 5146 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 5147 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 5148 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 5149 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|1,0,0]=3 5150 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|1,0,0]=3 5151 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|1,0,0]=3 5152 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|1,0,0]=3 5153 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|1,0,0]=3 5154 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|1,0,0]=3 5155 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|1,0,0]=3 5156 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|1,0,0]=3 5157 B12R1.435 CNC(=O)c1cccc(n1)NC 27a_100102657272_100000755456 [0,2,0,0,0,0|2,0,0]=4 5158 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_100000755456_200000210301 [0,2,0,0,0,0|2,0,0]=4 5159 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_200000210301_100000755456 [0,2,0,0,0,0|2,0,0]=4 5160 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_100000755456_200025704644 [0,2,0,0,0,0|2,0,0]=4 5161 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000755456 [0,2,0,0,0,0|2,0,0]=4 5162 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_100011196506_200000210301 [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_200000210301_100011196506 [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_100011196506_200025704644 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011196506 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [0,2,0,0,0,0|2,0,0]=4 5169 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [0,2,0,0,0,0|2,0,0]=4 5171 B12R1.435 CNc1cc(cnn1)C(=O)OC 27a_100102657272_100009862058 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.435 CNc1cc(ncn1)C(=O)OC 27a_100102657272_100000051410 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,2,0,0,0,0|1,0,0]=3 5174 B12R1.435 CNc1cncc(n1)C(=O)OC 27a_100102657272_100000765340 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.435 CNc1nccc(n1)C(=O)OC 27a_100102657272_100000070389 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,2,0,0,0,0|1,0,0]=3 5177 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,2,0,0,0,0|1,0,0]=3 5178 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,2,0,0,0,0|1,0,0]=3 5179 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,2,0,0,0,0|1,0,0]=3 5180 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,2,0,0,0,0|1,0,0]=3 5181 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,2,0,0,0,0|1,0,0]=3 5182 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_100000051410_200000210301 [0,2,0,0,0,0|2,0,0]=4 5183 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_200000210301_100000051410 [0,2,0,0,0,0|2,0,0]=4 5184 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_100000051410_200025704644 [0,2,0,0,0,0|2,0,0]=4 5185 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_200025704644_100000051410 [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 5187 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 5188 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 5189 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 5190 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|0,0,0]=2 5191 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|0,0,0]=2 5192 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|0,0,0]=2 5193 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|0,0,0]=2 5194 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,2,0,0,0,0|1,0,0]=3 5195 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,2,0,0,0,0|1,0,0]=3 5196 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,2,0,0,0,0|1,0,0]=3 5198 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,2,0,0,0,0|1,0,0]=3 5199 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,2,0,0,0,0|1,0,0]=3 5200 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,2,0,0,0,0|1,0,0]=3 5201 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,2,0,0,0,0|1,0,0]=3 5202 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,2,0,0,0,0|1,0,0]=3 5203 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,2,0,0,0,0|1,0,0]=3 5204 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_100000070389_200000210301 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_200000210301_100000070389 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_100000070389_200025704644 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100000070389 [0,2,0,0,0,0|2,0,0]=4 5208 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 5209 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 5210 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 5211 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 5212 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,2,0,0,0,0|1,0,0]=3 5213 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,2,0,0,0,0|1,0,0]=3 5214 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,2,0,0,0,0|1,0,0]=3 5215 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,2,0,0,0,0|1,0,0]=3 5216 B12R1.435 COC(=O)c1cncc(n1)SC 62a_100000765340_200000210301 [0,2,0,0,0,0|2,0,0]=4 5217 B12R1.435 COC(=O)c1cncc(n1)SC 62a_200000210301_100000765340 [0,2,0,0,0,0|2,0,0]=4 5218 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_100000765340_200025704644 [0,2,0,0,0,0|2,0,0]=4 5219 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_200025704644_100000765340 [0,2,0,0,0,0|2,0,0]=4 5220 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_100009862058_200000210301 [0,2,0,0,0,0|2,0,0]=4 5221 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_200000210301_100009862058 [0,2,0,0,0,0|2,0,0]=4 5222 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_100009862058_200025704644 [0,2,0,0,0,0|2,0,0]=4 5223 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_200025704644_100009862058 [0,2,0,0,0,0|2,0,0]=4 5224 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,2,0,0,0,0|2,0,0]=4 5225 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,2,0,0,0,0|2,0,0]=4 5226 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,2,0,0,0,0|2,0,0]=4 5227 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [0,2,0,0,0,0|1,0,1]=4 5228 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [0,2,0,0,0,0|1,0,1]=4 5229 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [0,2,0,0,0,0|1,0,1]=4 5230 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [0,2,0,0,0,0|1,0,1]=4 5231 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,2,0,0,0,0|2,0,0]=4 5232 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|2,0,0]=4 5233 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|2,0,0]=4 5234 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,2,0,0,0,0|2,0,0]=4 5235 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,2,0,0,0,0|2,0,0]=4 5236 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [0,2,0,0,0,0|2,0,0]=4 5239 B12R1.435 N#Cc1cccc(c1)C(=O)CF 1458a_100000183950_100015361967 [0,2,0,0,0,0|2,0,0]=4 5240 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,2,0,0,0,0|2,0,0]=4 5241 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,2,0,0,0,0|2,0,0]=4 5242 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,2,0,0,0,0|2,0,0]=4 5243 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,2,0,0,0,0|2,0,0]=4 5244 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|2,0,0]=4 5245 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|2,0,0]=4 5246 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,2,0,0,0,0|2,0,0]=4 5247 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,2,0,0,0,0|2,0,0]=4 5248 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [0,2,0,0,0,0|2,0,0]=4 5249 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [0,2,0,0,0,0|2,0,0]=4 5250 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,2,0,0,0,0|2,0,0]=4 5251 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,2,0,0,0,0|2,0,0]=4 5252 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,2,0,0,0,0|2,0,0]=4 5253 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,2,0,0,0,0|2,0,0]=4 5254 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,2,0,0,0,0|2,0,0]=4 5255 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,2,0,0,0,0|2,0,0]=4 5256 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,2,0,0,0,0|1,0,0]=3 5257 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,2,0,0,0,0|1,0,0]=3 5258 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,2,0,0,0,0|1,0,0]=3 5259 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,2,0,0,0,0|1,0,0]=3 5260 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,2,0,0,0,0|1,0,0]=3 5261 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,2,0,0,0,0|1,0,0]=3 5262 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 5263 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 5264 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 5265 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [0,2,0,0,0,0|1,0,0]=3 5266 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 5267 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 5268 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 5269 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [0,2,0,0,0,0|1,0,0]=3 5270 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 5271 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 5272 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 5273 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [0,2,0,0,0,0|1,0,0]=3 5274 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 5275 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 5276 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 5277 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [0,2,0,0,0,0|1,0,0]=3 5278 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,2,0,0,0,0|1,0,0]=3 5279 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,2,0,0,0,0|1,0,0]=3 5280 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [0,2,0,0,0,0|1,0,0]=3 5281 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [0,2,0,0,0,0|1,0,0]=3 5282 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [0,2,0,0,0,0|1,0,0]=3 5283 B12R1.124 CN(C)C(=O)c1cccnc1O 271570a_203496583355_100000159563 [0,2,0,0,0,0|2,0,0]=4 5284 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,2,0,0,0,0|1,0,0]=3 5285 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 5286 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 5287 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 5288 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [0,2,0,0,0,0|1,0,0]=3 5289 B12R1.564 O=C(c1ccccc1)C(F)(F)F 1458a_100000185807_200000243211 [0,2,0,0,0,0|2,0,0]=4 5290 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,2,0,0,0,0|1,0,0]=3 5291 B12R1.77 C#Cc1ccccc1C(=O)CF 1458a_100011243808_100015361967 [0,2,0,0,0,0|2,0,0]=4 5292 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,2,0,0,0,0|1,0,0]=3 5293 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,2,0,0,0,0|1,0,0]=3 5294 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,2,0,0,0,0|2,0,0]=4 5295 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,2,0,0,0,0|1,0,0]=3 5296 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,2,0,0,0,0|1,0,0]=3 5297 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,2,0,0,0,0|2,0,0]=4 5298 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,2,0,0,0,0|0,0,0]=2 5299 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,2,0,0,0,0|1,0,0]=3 5300 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [0,2,0,0,0,0|1,0,0]=3 5301 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [0,2,0,0,0,0|1,0,0]=3 5302 B12R1.77 C=Cc1cncnc1C(=O)OC 271570a_100011290941_100012360100 [0,2,0,0,0,0|2,0,0]=4 5303 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,2,0,0,0,0|2,0,0]=4 5304 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,2,0,0,0,0|1,0,0]=3 5305 B12R1.77 C=Cc1nccnc1C(=O)OC 271570a_100011290941_100000688410 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.77 C=Cc1ncncc1C(=O)OC 271570a_100011290941_100000726419 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,2,0,0,0,0|1,0,0]=3 5308 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|1,0,0]=3 5309 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|1,0,0]=3 5310 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,2,0,0,0,0|1,0,0]=3 5311 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|1,0,0]=3 5312 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|1,0,0]=3 5313 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|1,0,0]=3 5314 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|1,0,0]=3 5315 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,2,0,0,0,0|2,0,0]=4 5316 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|1,0,0]=3 5317 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 5318 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 5319 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|1,0,0]=3 5320 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,2,0,0,0,0|1,0,0]=3 5321 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,2,0,0,0,0|1,0,0]=3 5322 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,2,0,0,0,0|1,0,0]=3 5323 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,2,0,0,0,0|1,0,0]=3 5324 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,2,0,0,0,0|1,0,0]=3 5325 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,2,0,0,0,0|1,0,0]=3 5326 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|1,0,0]=3 5327 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|1,0,0]=3 5328 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|1,0,0]=3 5329 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|1,0,0]=3 5330 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 5331 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 5332 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 5333 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 5334 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 5335 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 5336 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 5337 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|1,0,0]=3 5338 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|1,0,0]=3 5339 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|1,0,0]=3 5340 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|1,0,0]=3 5341 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|1,0,0]=3 5342 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|1,0,0]=3 5343 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|1,0,0]=3 5344 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|1,0,0]=3 5345 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,2,0,0,0,0|1,0,0]=3 5355 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.77 CNc1ncncc1C(=O)OC 27a_100102657272_100000726419 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|0,0,0]=2 5358 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|0,0,0]=2 5359 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|0,0,0]=2 5360 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|0,0,0]=2 5361 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|0,0,0]=2 5362 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|0,0,0]=2 5363 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|1,0,0]=3 5364 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|1,0,0]=3 5365 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|1,0,0]=3 5366 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|1,0,0]=3 5367 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,2,0,0,0,0|1,0,0]=3 5368 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,2,0,0,0,0|1,0,0]=3 5369 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,2,0,0,0,0|1,0,0]=3 5370 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,2,0,0,0,0|1,0,0]=3 5371 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,2,0,0,0,0|1,0,0]=3 5372 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,2,0,0,0,0|1,0,0]=3 5373 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,2,0,0,0,0|1,0,0]=3 5374 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,2,0,0,0,0|1,0,0]=3 5375 B12R1.77 COC(=O)c1cncnc1SC 62a_100000726419_200000210301 [0,2,0,0,0,0|2,0,0]=4 5376 B12R1.77 COC(=O)c1cncnc1SC 62a_200000210301_100000726419 [0,2,0,0,0,0|2,0,0]=4 5377 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_100000726419_200025704644 [0,2,0,0,0,0|2,0,0]=4 5378 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_200025704644_100000726419 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 5380 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 5381 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 5382 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 5383 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|1,0,0]=3 5384 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|1,0,0]=3 5385 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|1,0,0]=3 5386 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|1,0,0]=3 5387 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,2,0,0,0,0|2,0,0]=4 5389 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,2,0,0,0,0|2,0,0]=4 5390 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,2,0,0,0,0|2,0,0]=4 5391 B12R1.77 COC(=O)c1ncncc1SC 62a_100012360100_200000210301 [0,2,0,0,0,0|2,0,0]=4 5392 B12R1.77 COC(=O)c1ncncc1SC 62a_200000210301_100012360100 [0,2,0,0,0,0|2,0,0]=4 5393 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_100012360100_200025704644 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_200025704644_100012360100 [0,2,0,0,0,0|2,0,0]=4 5395 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|2,0,0]=4 5397 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,2,0,0,0,0|2,0,0]=4 5398 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,2,0,0,0,0|1,0,1]=4 5400 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,2,0,0,0,0|1,0,1]=4 5401 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,2,0,0,0,0|1,0,0]=3 5405 B12R1.77 N#Cc1ccccc1C(=O)CF 1458a_100000742908_100015361967 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,2,0,0,0,0|2,0,0]=4 5407 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,2,0,0,0,0|1,0,0]=3 5414 B12R1.3441 CC(O[13CH3])c1c(cccc1Br)F 34a_100013085324_200025704644 [0,2,0,0,0,0|1,0,1]=4 5415 B12R1.3441 CC(O[13CH3])c1c(cccc1Br)F 7a_100013085324_200025704644 [0,2,0,0,0,0|1,0,1]=4 5416 B12R1.3441 CC(O[13CH3])c1c(cccc1Cl)Cl 34a_100011215154_200025704644 [0,2,0,0,0,0|1,0,1]=4 5417 B12R1.3441 CC(O[13CH3])c1c(cccc1Cl)Cl 7a_100011215154_200025704644 [0,2,0,0,0,0|1,0,1]=4 5418 B12R1.3441 CC(O[13CH3])c1c(cccc1F)F 34a_100000742607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5419 B12R1.3441 CC(O[13CH3])c1c(cccc1F)F 7a_100000742607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5420 B12R1.3441 CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210202 [0,2,0,0,0,0|1,0,0]=3 5421 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [0,2,0,0,0,0|1,0,0]=3 5422 B12R1.3441 CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210202 [0,2,0,0,0,0|1,0,0]=3 5423 B12R1.3441 CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210202 [0,2,0,0,0,0|1,0,0]=3 5424 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,2,0,0,0,0|1,0,0]=3 5425 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [0,2,0,0,0,0|1,0,0]=3 5426 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [0,2,0,0,0,0|1,0,0]=3 5427 B12R1.3441 CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210202 [0,2,0,0,0,0|1,0,0]=3 5428 B12R1.3441 CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210202 [0,2,0,0,0,0|1,0,0]=3 5429 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,2,0,0,0,0|1,0,0]=3 5430 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5431 B12R1.3441 CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210202 [0,2,0,0,0,0|1,0,0]=3 5432 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,2,0,0,0,0|1,0,0]=3 5433 B12R1.3441 CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210202 [0,2,0,0,0,0|1,0,0]=3 5434 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [0,2,0,0,0,0|1,0,0]=3 5435 B12R1.3441 CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210202 [0,2,0,0,0,0|1,0,0]=3 5436 B12R1.3441 CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210202 [0,2,0,0,0,0|1,0,0]=3 5437 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,2,0,0,0,0|1,0,0]=3 5438 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,2,0,0,0,0|1,0,0]=3 5439 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 11a_106832991635_100000690891 [0,2,0,0,0,0|1,0,0]=3 5440 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 1626a_100102657272_100000690891 [0,2,0,0,0,0|1,0,0]=3 5441 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 240690a_100102657272_100000690891 [0,2,0,0,0,0|1,0,0]=3 5442 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 527a_100102657272_100000690891 [0,2,0,0,0,0|1,0,0]=3 5443 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [0,2,0,0,0,0|1,0,0]=3 5444 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [0,2,0,0,0,0|1,0,0]=3 5445 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [0,2,0,0,0,0|1,0,0]=3 5446 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [0,2,0,0,0,0|1,0,0]=3 5447 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 11a_106832991635_100011253703 [0,2,0,0,0,0|1,0,0]=3 5448 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 1626a_100102657272_100011253703 [0,2,0,0,0,0|1,0,0]=3 5449 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 240690a_100102657272_100011253703 [0,2,0,0,0,0|1,0,0]=3 5450 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 527a_100102657272_100011253703 [0,2,0,0,0,0|1,0,0]=3 5451 B12R1.3441 CNC(=O)c1c(cccc1Br)F 11a_106832991635_100000752694 [0,2,0,0,0,0|1,0,0]=3 5452 B12R1.3441 CNC(=O)c1c(cccc1Br)F 1626a_100102657272_100000752694 [0,2,0,0,0,0|1,0,0]=3 5453 B12R1.3441 CNC(=O)c1c(cccc1Br)F 240690a_100102657272_100000752694 [0,2,0,0,0,0|1,0,0]=3 5454 B12R1.3441 CNC(=O)c1c(cccc1Br)F 527a_100102657272_100000752694 [0,2,0,0,0,0|1,0,0]=3 5455 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,2,0,0,0,0|1,0,0]=3 5456 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,2,0,0,0,0|1,0,0]=3 5457 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [0,2,0,0,0,0|1,0,0]=3 5458 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [0,2,0,0,0,0|1,0,0]=3 5459 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [0,2,0,0,0,0|1,0,0]=3 5460 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [0,2,0,0,0,0|1,0,0]=3 5461 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [0,2,0,0,0,0|1,0,0]=3 5462 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [0,2,0,0,0,0|1,0,0]=3 5463 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 11a_106832991635_100000210656 [0,2,0,0,0,0|1,0,0]=3 5464 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 1626a_100102657272_100000210656 [0,2,0,0,0,0|1,0,0]=3 5465 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 240690a_100102657272_100000210656 [0,2,0,0,0,0|1,0,0]=3 5466 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 11a_106832991635_100000210369 [0,2,0,0,0,0|1,0,0]=3 5467 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 1626a_100102657272_100000210369 [0,2,0,0,0,0|1,0,0]=3 5468 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 240690a_100102657272_100000210369 [0,2,0,0,0,0|1,0,0]=3 5469 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 527a_100102657272_100000210369 [0,2,0,0,0,0|1,0,0]=3 5470 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,2,0,0,0,0|1,0,0]=3 5471 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,2,0,0,0,0|1,0,0]=3 5472 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [0,2,0,0,0,0|1,0,0]=3 5473 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [0,2,0,0,0,0|1,0,0]=3 5474 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [0,2,0,0,0,0|1,0,0]=3 5475 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [0,2,0,0,0,0|1,0,0]=3 5476 B12R1.3441 CNC(=O)c1c(cccc1F)F 11a_106832991635_100000210804 [0,2,0,0,0,0|1,0,0]=3 5477 B12R1.3441 CNC(=O)c1c(cccc1F)F 1626a_100102657272_100000210804 [0,2,0,0,0,0|1,0,0]=3 5478 B12R1.3441 CNC(=O)c1c(cccc1F)F 240690a_100102657272_100000210804 [0,2,0,0,0,0|1,0,0]=3 5479 B12R1.3441 CNC(=O)c1c(cccc1F)F 527a_100102657272_100000210804 [0,2,0,0,0,0|1,0,0]=3 5480 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,2,0,0,0,0|1,0,0]=3 5481 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,2,0,0,0,0|1,0,0]=3 5482 B12R1.3441 CNC(=O)c1c(cccc1I)Br 11a_106832991635_100010232521 [0,2,0,0,0,0|1,0,0]=3 5483 B12R1.3441 CNC(=O)c1c(cccc1I)Br 1626a_100102657272_100010232521 [0,2,0,0,0,0|1,0,0]=3 5484 B12R1.3441 CNC(=O)c1c(cccc1I)Br 240690a_100102657272_100010232521 [0,2,0,0,0,0|1,0,0]=3 5485 B12R1.3441 CNC(=O)c1c(cccc1I)Br 527a_100102657272_100010232521 [0,2,0,0,0,0|1,0,0]=3 5486 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [0,2,0,0,0,0|1,0,0]=3 5487 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [0,2,0,0,0,0|1,0,0]=3 5488 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [0,2,0,0,0,0|1,0,0]=3 5489 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 11a_106832991635_100000702859 [0,2,0,0,0,0|1,0,0]=3 5490 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 1626a_100102657272_100000702859 [0,2,0,0,0,0|1,0,0]=3 5491 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 240690a_100102657272_100000702859 [0,2,0,0,0,0|1,0,0]=3 5492 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 527a_100102657272_100000702859 [0,2,0,0,0,0|1,0,0]=3 5493 B12R1.3441 CNC(=O)c1c(cccc1I)F 11a_106832991635_100000023732 [0,2,0,0,0,0|1,0,0]=3 5494 B12R1.3441 CNC(=O)c1c(cccc1I)F 1626a_100102657272_100000023732 [0,2,0,0,0,0|1,0,0]=3 5495 B12R1.3441 CNC(=O)c1c(cccc1I)F 240690a_100102657272_100000023732 [0,2,0,0,0,0|1,0,0]=3 5496 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,2,0,0,0,0|1,0,0]=3 5497 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,2,0,0,0,0|0,0,0]=2 5498 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,2,0,0,0,0|0,0,0]=2 5499 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,2,0,0,0,0|0,0,0]=2 5500 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,2,0,0,0,0|0,0,0]=2 5501 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,2,0,0,0,0|0,0,0]=2 5502 B12R1.3441 COC(=O)c1c(ccnc1Cl)O 271570a_203496583355_100010138530 [0,2,0,0,0,0|1,0,0]=3 5503 B12R1.3441 COC(=O)c1c(ccnc1F)O 271570a_203496583355_100010150474 [0,2,0,0,0,0|1,0,0]=3 5504 B12R1.3441 COC(=O)c1c(ccnc1O)F 271570a_203496583355_100015560809 [0,2,0,0,0,0|1,0,0]=3 5505 B12R1.3441 COC(=O)c1c(ccnc1O)N 271570a_203496583355_100009985557 [0,2,0,0,0,0|1,0,0]=3 5506 B12R1.3441 COC(=O)c1c(cncc1F)O 271570a_203496583355_100010189632 [0,2,0,0,0,0|1,0,0]=3 5507 B12R1.3441 COC(=O)c1c(ncnc1O)N 271570a_203496583355_200021259019 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.3441 COC(C)c1c(cccc1Br)F 34a_100013085324_200000210301 [0,2,0,0,0,0|1,0,1]=4 5509 B12R1.3441 COC(C)c1c(cccc1Br)F 7a_100013085324_200000210301 [0,2,0,0,0,0|1,0,1]=4 5510 B12R1.3441 COC(C)c1c(cccc1C)C 34a_200000695261_200000210301 [0,2,0,0,0,0|1,0,1]=4 5511 B12R1.3441 COC(C)c1c(cccc1C)C 7a_200000695261_200000210301 [0,2,0,0,0,0|1,0,1]=4 5512 B12R1.3441 COC(C)c1c(cccc1Cl)Cl 34a_100011215154_200000210301 [0,2,0,0,0,0|1,0,1]=4 5513 B12R1.3441 COC(C)c1c(cccc1Cl)Cl 7a_100011215154_200000210301 [0,2,0,0,0,0|1,0,1]=4 5514 B12R1.3441 COC(C)c1c(cccc1F)F 34a_100000742607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5515 B12R1.3441 COC(C)c1c(cccc1F)F 7a_100000742607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5516 B12R1.3441 CO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_200000210301 [0,2,0,0,0,0|1,0,1]=4 5517 B12R1.3441 CO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_200000210301 [0,2,0,0,0,0|1,0,1]=4 5518 B12R1.3441 C[C@@H](O[13CH3])c1c(cccc1Cl)F 34a_200012136785_200025704644 [0,2,0,0,0,0|1,0,1]=4 5519 B12R1.3441 C[C@@H](O[13CH3])c1c(cccc1Cl)F 7a_200012136785_200025704644 [0,2,0,0,0,0|1,0,1]=4 5520 B12R1.3441 Cc1cccc(c1C(=O)CF)Br 1458a_100000701904_100015361967 [0,2,0,0,0,0|2,0,0]=4 5521 B12R1.3441 Cc1cccc(c1C(=O)CF)C 1458a_100000758298_100015361967 [0,2,0,0,0,0|2,0,0]=4 5522 B12R1.3441 Cc1cccc(c1C(=O)CF)Cl 1458a_100000692601_100015361967 [0,2,0,0,0,0|2,0,0]=4 5523 B12R1.3441 Cc1cccc(c1C(=O)CF)F 1458a_100000762013_100015361967 [0,2,0,0,0,0|2,0,0]=4 5524 B12R1.3441 Cc1cccc(c1C(=O)CF)I 1458a_100000688020_100015361967 [0,2,0,0,0,0|2,0,0]=4 5525 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [0,2,0,0,0,0|2,0,0]=4 5526 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 34a_200000695261_200025704644 [0,2,0,0,0,0|1,0,1]=4 5527 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 7a_200000695261_200025704644 [0,2,0,0,0,0|1,0,1]=4 5528 B12R1.3441 O=C(CF)c1c(cccc1Br)Br 1458a_100000690891_100015361967 [0,2,0,0,0,0|2,0,0]=4 5529 B12R1.3441 O=C(CF)c1c(cccc1Br)Cl 1458a_100011253703_100015361967 [0,2,0,0,0,0|2,0,0]=4 5530 B12R1.3441 O=C(CF)c1c(cccc1Br)F 1458a_100000752694_100015361967 [0,2,0,0,0,0|2,0,0]=4 5531 B12R1.3441 O=C(CF)c1c(cccc1Br)O 1458a_100011935254_100015361967 [0,2,0,0,0,0|2,0,0]=4 5532 B12R1.3441 O=C(CF)c1c(cccc1Cl)Cl 1458a_100000210656_100015361967 [0,2,0,0,0,0|2,0,0]=4 5533 B12R1.3441 O=C(CF)c1c(cccc1Cl)F 1458a_100000210369_100015361967 [0,2,0,0,0,0|2,0,0]=4 5534 B12R1.3441 O=C(CF)c1c(cccc1Cl)O 1458a_100000745519_100015361967 [0,2,0,0,0,0|2,0,0]=4 5535 B12R1.3441 O=C(CF)c1c(cccc1F)F 1458a_100000210804_100015361967 [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.3441 O=C(CF)c1c(cccc1F)O 1458a_100000763259_100015361967 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.3441 O=C(CF)c1c(cccc1I)Br 1458a_100010232521_100015361967 [0,2,0,0,0,0|2,0,0]=4 5538 B12R1.3441 O=C(CF)c1c(cccc1I)Cl 1458a_100000702859_100015361967 [0,2,0,0,0,0|2,0,0]=4 5539 B12R1.3441 O=C(CF)c1c(cccc1I)F 1458a_100000023732_100015361967 [0,2,0,0,0,0|2,0,0]=4 5540 B12R1.3441 O=C(CF)c1c(cccc1O)O 1458a_100000755285_100015361967 [0,2,0,0,0,0|2,0,0]=4 5541 B10R1.19 COc1cccccc1=O 34a_100000036025_200000210301 [0,0,1,1,0,0|2,0,0]=4 5542 B10R1.19 COc1cccccc1=O 7a_100000036025_200000210301 [0,0,1,1,0,0|2,0,0]=4 5543 B10R1.19 [13CH3]Oc1cccccc1=O 34a_100000036025_200025704644 [0,0,1,1,0,0|2,0,0]=4 5544 B10R1.19 [13CH3]Oc1cccccc1=O 7a_100000036025_200025704644 [0,0,1,1,0,0|2,0,0]=4 5545 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [0,0,1,1,0,0|2,0,0]=4 5546 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [0,0,1,1,0,0|2,0,0]=4 5547 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [0,0,1,1,0,0|2,0,0]=4 5548 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [0,0,1,1,0,0|2,0,0]=4 5549 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [0,0,1,1,0,0|1,0,1]=4 5550 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [0,0,1,1,0,0|1,0,0]=3 5551 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [0,0,1,1,0,0|2,0,0]=4 5552 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [0,0,1,1,0,0|2,0,0]=4 5553 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [0,0,1,1,0,0|2,0,0]=4 5554 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [0,0,1,1,0,0|2,0,0]=4 5555 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,0,1,1,0,0|1,0,0]=3 5556 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [0,0,1,1,0,0|1,1,0]=4 5557 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [0,0,1,1,0,0|1,1,0]=4 5558 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [0,0,1,1,0,0|1,1,0]=4 5559 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [0,0,1,1,0,0|1,1,0]=4 5560 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [0,0,1,1,0,0|1,1,0]=4 5561 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [0,0,1,1,0,0|2,0,0]=4 5562 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [0,0,1,1,0,0|2,0,0]=4 5563 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [0,0,1,1,0,0|1,0,0]=3 5564 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [0,0,1,1,0,0|1,1,0]=4 5565 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [0,0,1,1,0,0|2,0,0]=4 5566 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [0,0,1,1,0,0|2,0,0]=4 5567 B10R1.20 C=Cc1cncnc1OC 271570a_100011290941_100000719902 [0,0,1,1,0,0|2,0,0]=4 5568 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [0,0,1,1,0,0|2,0,0]=4 5569 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [0,0,1,1,0,0|2,0,0]=4 5570 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [0,0,1,1,0,0|2,0,0]=4 5571 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,0,1,1,0,0|2,0,0]=4 5572 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,1,1,0,0|2,0,0]=4 5573 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,1,1,0,0|2,0,0]=4 5574 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,1,1,0,0|2,0,0]=4 5575 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,1,1,0,0|1,0,0]=3 5576 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,1,1,0,0|1,0,0]=3 5577 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,1,1,0,0|1,0,0]=3 5578 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,1,1,0,0|1,0,0]=3 5579 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,1,1,0,0|1,0,0]=3 5580 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,0,1,1,0,0|1,1,0]=4 5581 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,0,1,1,0,0|1,1,0]=4 5582 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,0,1,1,0,0|1,1,0]=4 5583 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,0,1,1,0,0|1,1,0]=4 5584 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,0,1,1,0,0|1,1,0]=4 5585 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [0,0,1,1,0,0|2,0,0]=4 5586 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [0,0,1,1,0,0|2,0,0]=4 5587 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [0,0,1,1,0,0|1,0,0]=3 5588 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [0,0,1,1,0,0|1,1,0]=4 5589 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [0,0,1,1,0,0|2,0,0]=4 5590 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [0,0,1,1,0,0|2,0,0]=4 5591 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [0,0,1,1,0,0|2,0,0]=4 5592 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [0,0,1,1,0,0|2,0,0]=4 5593 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [0,0,1,1,0,0|2,0,0]=4 5594 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 5595 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,1|1,0,1]=4 5596 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,1,0,1|1,0,1]=4 5597 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,0,0,1,0,1|2,0,0]=4 5598 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,0,0,1,0,1|1,1,0]=4 5599 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,0,0,1,0,1|1,0,1]=4 5600 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,0,0,1,0,1|1,0,1]=4 5601 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,1,0,1|1,1,0]=4 5602 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,1,0,1|0,1,1]=4 5603 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,1,0,1|0,2,0]=4 5604 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [0,0,0,1,0,1|1,1,0]=4 5605 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [0,0,0,1,0,1|0,2,0]=4 5606 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,0,0,1,0,1|1,0,1]=4 5607 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,1,0,1|1,1,0]=4 5608 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,1,0,1|0,1,1]=4 5609 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,1,0,1|0,2,0]=4 5610 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [0,0,0,1,0,1|1,1,0]=4 5611 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [0,0,0,1,0,1|0,2,0]=4 5612 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 5613 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 5614 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|0,1,0]=3 5615 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|0,1,0]=3 5616 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,1,1]=4 5617 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,1,0,1,0,0|0,2,0]=4 5618 B12R2.1 CSc1n[nH]c2c1cccc2 62a_200000210301_100000050141 [0,1,0,1,0,0|1,1,0]=4 5619 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|0,1,1]=4 5620 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|0,1,1]=4 5621 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 5622 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 5623 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|0,1,0]=3 5624 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|0,1,0]=3 5625 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,1,1]=4 5626 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,1,0,1,0,0|0,2,0]=4 5627 B12R2.1 [13CH3]Sc1n[nH]c2c1cccc2 62a_200025704644_100000050141 [0,1,0,1,0,0|1,1,0]=4 5628 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|0,1,1]=4 5629 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|0,1,1]=4 5630 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|2,0,0]=4 5631 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|1,0,0]=3 5632 B12R2.2 C1=C(CCO1)c2ccccn2 271570a_100000118173_100011216584 [0,1,0,1,0,0|2,0,0]=4 5633 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [0,1,0,1,0,0|2,0,0]=4 5634 B12R2.2 C1=C(CCO1)c2ccncc2 271570a_100000118173_100000035832 [0,1,0,1,0,0|2,0,0]=4 5635 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|1,0,0]=3 5636 B12R2.2 C1=C(COC1)c2ccccn2 271570a_100009872500_100011216584 [0,1,0,1,0,0|2,0,0]=4 5637 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [0,1,0,1,0,0|2,0,0]=4 5638 B12R2.2 C1=C(COC1)c2ccncc2 271570a_100009872500_100000035832 [0,1,0,1,0,0|2,0,0]=4 5639 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,1,0,1,0,0|1,0,1]=4 5640 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,1,0,1,0,0|1,0,1]=4 5641 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,1,0,1,0,0|1,0,1]=4 5642 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,1,0,1,0,0|1,0,1]=4 5643 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,1,0,1,0,0|1,0,1]=4 5644 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [0,1,0,1,0,0|2,0,0]=4 5645 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,1,0,1,0,0|1,0,1]=4 5646 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,1,0,1,0,0|1,0,1]=4 5647 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,1,0,1,0,0|1,0,1]=4 5648 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,1,0,1,0,0|1,0,1]=4 5649 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,1,0,1,0,0|1,0,1]=4 5650 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,1,0,0|1,0,1]=4 5651 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,1,0,1,0,0|2,0,0]=4 5652 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|1,0,1]=4 5653 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|1,0,0]=3 5654 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|2,0,0]=4 5655 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|1,0,0]=3 5656 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [0,1,0,1,0,0|2,0,0]=4 5657 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|0,0,0]=2 5658 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|2,0,0]=4 5659 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|1,0,0]=3 5660 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 5661 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|2,0,0]=4 5662 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|2,0,0]=4 5663 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|1,0,0]=3 5664 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|0,0,0]=2 5665 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|2,0,0]=4 5666 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|2,0,0]=4 5667 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|1,0,0]=3 5668 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|2,0,0]=4 5669 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|1,0,0]=3 5670 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|0,0,0]=2 5671 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|2,0,0]=4 5672 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|1,0,0]=3 5673 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|2,0,0]=4 5674 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|1,0,0]=3 5675 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|0,0,0]=2 5676 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,1,0,0|2,0,0]=4 5677 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,1,0|2,0,0]=4 5678 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,1,0|2,0,0]=4 5679 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|2,0,0]=4 5680 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|2,0,0]=4 5681 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,1,0|2,0,0]=4 5682 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,1,0|2,0,0]=4 5683 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,1,0|2,0,0]=4 5684 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,1,0|2,0,0]=4 5685 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,1,0|1,0,1]=4 5686 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,1,0|1,0,1]=4 5687 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,1,0|1,0,1]=4 5688 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,1,0|1,0,1]=4 5689 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,1,0|1,0,1]=4 5690 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,1,0|1,0,1]=4 5691 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,1,0|1,0,1]=4 5692 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,1,0|1,0,1]=4 5693 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,1,0|1,0,1]=4 5694 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,0,0,0,0,2|1,0,1]=4 5695 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,2|1,0,1]=4 5696 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,2|1,0,1]=4 5697 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,2|1,0,1]=4 5698 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,0,0,0,2|1,0,1]=4 5699 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,0,0,0,0,2|1,0,1]=4 5700 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,0,0,0,0,2|1,0,1]=4 5701 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,0,0,0,2|1,0,1]=4 5702 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,0,0,0,2|1,0,1]=4 5703 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,0,0,0,2|1,0,0]=3 5704 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,0,0,0,0,2|2,0,0]=4 5705 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,0,2|1,0,0]=3 5706 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,0,0,0,0,2|2,0,0]=4 5707 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,0,0,0,0,2|2,0,0]=4 5708 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,0,0,0,0,2|2,0,0]=4 5709 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,2|1,0,0]=3 5710 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,2|1,0,0]=3 5711 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,0,0,0,0,2|2,0,0]=4 5712 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,0,0,0,0,2|2,0,0]=4 5713 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,0,0,0,0,2|2,0,0]=4 5714 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,0,0,0,0,2|2,0,0]=4 5715 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,0,0,0,0,2|2,0,0]=4 5716 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,0,0,0,0,2|2,0,0]=4 5717 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,2|1,0,0]=3 5718 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,2|1,0,0]=3 5719 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,0,0,0,0,2|2,0,0]=4 5720 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,0,0,0,0,2|2,0,0]=4 5721 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,0,0,0,0,2|2,0,0]=4 5722 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,2|1,0,0]=3 5723 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,2|1,0,0]=3 5724 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,2|1,0,0]=3 5725 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,0,0,0,0,2|2,0,0]=4 5726 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,0,0,0,0,2|2,0,0]=4 5727 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,0,0,0,0,2|2,0,0]=4 5728 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,0,0,0,0,2|2,0,0]=4 5729 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,0,0,0,0,2|2,0,0]=4 5730 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,0,0,0,0,2|2,0,0]=4 5731 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,0,0,0,0,2|2,0,0]=4 5732 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,0,0,0,0,2|2,0,0]=4 5733 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 5734 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 5735 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 5736 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,2|1,0,0]=3 5737 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 5738 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 5739 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 5740 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,0,0,0,0,2|2,0,0]=4 5741 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,0,0,0,0,2|2,0,0]=4 5742 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,0,0,0,0,2|2,0,0]=4 5743 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,0,0,0,0,2|2,0,0]=4 5744 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 5745 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 5746 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 5747 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,0,0,0,0,2|2,0,0]=4 5748 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,0,0,0,2|1,0,0]=3 5749 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,0,0,0,0,2|2,0,0]=4 5750 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,0,0,0,0,2|2,0,0]=4 5751 B12R1.27 CCC(=O)NNc1ccncc1 22a_100000698918_100000210414 [0,0,0,0,0,2|2,0,0]=4 5752 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,0,0,0,2|1,0,0]=3 5753 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,2|1,0,0]=3 5754 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,2|1,0,0]=3 5755 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,0,0,0,2|2,0,0]=4 5756 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,0,0,0,2|2,0,0]=4 5757 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,0,0,0,2|2,0,0]=4 5758 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,0,0,0,2|2,0,0]=4 5759 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,0,0,0,0,2|2,0,0]=4 5760 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,2|1,0,0]=3 5761 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,2|1,0,0]=3 5762 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,2|1,0,0]=3 5763 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,2|1,0,0]=3 5764 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,0,0,0,2|2,0,0]=4 5765 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,0,0,0,2|2,0,0]=4 5766 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,0,0,0,2|2,0,0]=4 5767 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,0,0,0,2|2,0,0]=4 5768 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,0,0,0,2|2,0,0]=4 5769 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,0,0,0,2|2,0,0]=4 5770 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,0,0,0,2|2,0,0]=4 5771 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,0,0,0,0,2|2,0,0]=4 5772 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,0,0,0,0,2|2,0,0]=4 5773 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,0,0,0,0,2|2,0,0]=4 5774 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,0,2|1,0,0]=3 5775 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,0,2|1,0,0]=3 5776 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,0,2|1,0,0]=3 5777 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,0,2|1,0,0]=3 5778 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,0,2|1,0,0]=3 5779 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,0,2|1,0,0]=3 5780 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,0,2|1,0,0]=3 5781 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,0,0,0,2|2,0,0]=4 5782 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,0,0,0,2|2,0,0]=4 5783 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,0,0,0,2|2,0,0]=4 5784 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,0,0,0,2|2,0,0]=4 5785 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,0,0,0,2|2,0,0]=4 5786 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,0,0,0,2|2,0,0]=4 5787 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,0,0,0,2|2,0,0]=4 5788 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,0,0,0,2|2,0,0]=4 5789 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,0,0,0,2|2,0,0]=4 5790 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,0,0,0,0,2|2,0,0]=4 5791 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,0,2|1,0,0]=3 5792 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,0,2|1,0,0]=3 5793 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,0,2|1,0,0]=3 5794 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,0,2|1,0,0]=3 5795 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,0,2|1,0,0]=3 5796 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,0,2|1,0,0]=3 5797 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,0,0,0,2|2,0,0]=4 5798 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,0,0,0,2|2,0,0]=4 5799 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,0,0,0,2|2,0,0]=4 5800 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,0,0,0,2|2,0,0]=4 5801 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,0,0,0,2|2,0,0]=4 5802 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,0,0,0,2|2,0,0]=4 5803 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,0,0,0,2|2,0,0]=4 5804 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,0,0,0,0,2|2,0,0]=4 5805 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,0,0,0,0,2|2,0,0]=4 5806 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,0,0,0,0,2|2,0,0]=4 5807 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,0,0,0,0,2|2,0,0]=4 5808 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,0,0,0,0,2|2,0,0]=4 5809 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,0,0,0,0,2|2,0,0]=4 5810 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,0,2|1,0,0]=3 5811 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,0,2|1,0,0]=3 5812 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,0,2|1,0,0]=3 5813 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,0,2|1,0,0]=3 5814 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,0,2|1,0,0]=3 5815 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,0,2|1,0,0]=3 5816 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,0,0,0,2|2,0,0]=4 5817 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,0,0,0,2|2,0,0]=4 5818 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,0,0,0,2|2,0,0]=4 5819 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,0,0,0,2|2,0,0]=4 5820 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,0,0,0,2|2,0,0]=4 5821 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,0,0,0,2|2,0,0]=4 5822 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,0,0,0,2|2,0,0]=4 5823 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,0,0,0,2|2,0,0]=4 5824 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,0,0,0,2|2,0,0]=4 5825 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,0,0,0,2|2,0,0]=4 5826 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,0,0,0,2|2,0,0]=4 5827 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,0,0,0,2|2,0,0]=4 5828 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,0,0,0,2|2,0,0]=4 5829 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,0,0,0,2|2,0,0]=4 5830 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,0,0,0,2|2,0,0]=4 5831 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,0,0,0,2|2,0,0]=4 5832 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,0,0,0,2|1,0,0]=3 5833 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,0,0,0,2|1,0,0]=3 5834 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,0,0,0,2|2,0,0]=4 5835 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,0,0,0,2|2,0,0]=4 5836 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,0,0,0,2|2,0,0]=4 5837 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,0,0,0,2|2,0,0]=4 5838 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,0,0,0,0,2|2,0,0]=4 5839 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,0,0,0,0,2|2,0,0]=4 5840 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,0,2|0,0,0]=2 5841 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,0,2|0,0,0]=2 5842 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,0,2|0,0,0]=2 5843 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,0,0,0,0,2|1,0,0]=3 5844 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,0,0,0,0,2|1,0,0]=3 5845 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,0,0,0,0,2|1,0,0]=3 5846 B12R1.27 COC(=O)COc1ccnnc1 34a_100015204005_100000747449 [0,0,0,0,0,2|2,0,0]=4 5847 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,0,0,0,0,2|2,0,0]=4 5848 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,0,2|0,0,0]=2 5849 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,0,2|0,0,0]=2 5850 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,0,0,0,0,2|1,0,0]=3 5851 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,0,0,0,0,2|1,0,0]=3 5852 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,0,0,0,0,2|1,0,0]=3 5853 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,0,0,0,0,2|1,0,0]=3 5854 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,0,0,0,0,2|2,0,0]=4 5855 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,0,0,0,0,2|2,0,0]=4 5856 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,0,0,0,0,2|1,0,0]=3 5857 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,0,0,0,0,2|1,0,0]=3 5858 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,0,0,0,0,2|2,0,0]=4 5859 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,0,0,0,0,2|2,0,0]=4 5860 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000732662_100000747449 [0,0,0,0,0,2|2,0,0]=4 5861 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000747449_100000732662 [0,0,0,0,0,2|2,0,0]=4 5862 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,0,0,0,0,2|2,0,0]=4 5863 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,0,0,0,0,2|2,0,0]=4 5864 B12R1.27 COC(=O)CSc1cncnc1 62a_100000747449_100011206942 [0,0,0,0,0,2|2,0,0]=4 5865 B12R1.27 COC(=O)CSc1cncnc1 62a_100011206942_100000747449 [0,0,0,0,0,2|2,0,0]=4 5866 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,0,0,0,0,2|2,0,0]=4 5867 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,0,0,0,0,2|2,0,0]=4 5868 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,0,0,0,0,2|1,0,1]=4 5869 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,0,0,0,0,2|1,0,1]=4 5870 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,0,0,0,2|1,0,1]=4 5871 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,0,0,0,2|1,0,1]=4 5872 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,0,0,0,2|1,0,1]=4 5873 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,0,0,0,2|1,0,1]=4 5874 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,0,0,0,2|1,0,1]=4 5875 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,0,0,0,2|1,0,1]=4 5876 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,0,0,0,2|1,0,1]=4 5877 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,0,0,0,2|1,0,1]=4 5878 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,0,0,0,0,2|2,0,0]=4 5879 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,0,0,0,2|2,0,0]=4 5880 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,0,2|2,0,0]=4 5881 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,0,0,0,0,2|2,0,0]=4 5882 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,0,0,0,0,2|2,0,0]=4 5883 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,0,2|2,0,0]=4 5884 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,0,0,0,2|2,0,0]=4 5885 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,0,0,0,2|2,0,0]=4 5886 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,0,0,0,2|2,0,0]=4