0 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,0,0,0,0|1,0,1]=2 49 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|0,0,2]=3 55 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,0|1,0,2]=4 90 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|1,0,2]=4 91 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,1]=4 146 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,0,0|1,0,1]=3 156 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,0,0|1,0,1]=3 159 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,0,0|1,0,1]=3 160 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [0,1,0,0,0,0|1,0,2]=4 164 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [0,1,0,0,0,0|1,0,2]=4 165 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [0,1,0,0,0,0|1,0,2]=4 167 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [0,1,0,0,0,0|1,0,2]=4 168 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [0,1,0,0,0,0|1,0,2]=4 169 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100000210206 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 2230a_100000219625_200000210301 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100000210206 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 269982a_100000219625_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219623_100000210206 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 34a_100000219625_200000210301 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.20 CC(C)N(C)c1ccc(cc1)Br 7a_100000219625_200000210301 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100000749197_200000210301 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000210206 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100000749197_200000210301 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000210206 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100000749197_200000210301 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100000210206 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.20 CC(C)N(C)c1ccc(cc1)Cl 7a_100000749197_200000210301 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219829_100000210206 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.20 CC(C)N(C)c1ccc(cc1)F 2230a_100000219830_200000210301 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100000210206 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.20 CC(C)N(C)c1ccc(cc1)F 269982a_100000219830_200000210301 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219829_100000210206 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.20 CC(C)N(C)c1ccc(cc1)F 34a_100000219830_200000210301 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.20 CC(C)N(C)c1ccc(cc1)F 7a_100000219830_200000210301 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.20 CC(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000210206 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.20 CC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000210206 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.20 CC(C)N(C)c1ccc(cc1)I 34a_100000743151_100000210206 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.20 CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000210206 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.20 CC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000210206 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 2230a_100000219625_200025704644 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 269982a_100000219625_200025704644 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 34a_100000219625_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Br 7a_100000219625_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 2230a_100000749197_200025704644 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 269982a_100000749197_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 34a_100000749197_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)Cl 7a_100000749197_200025704644 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 2230a_100000219830_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 269982a_100000219830_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 34a_100000219830_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.20 CC(C)N([13CH3])c1ccc(cc1)F 7a_100000219830_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [0,1,0,0,0,0|1,0,2]=4 230 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000219977_100000210206 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000748792_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000219977_100000210206 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000748792_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000219977_100000210206 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000748792_200000210301 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 7a_100000748792_200000210301 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 2230a_100000748792_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 269982a_100000748792_200025704644 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 34a_100000748792_200025704644 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 7a_100000748792_200025704644 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,0,0|1,0,1]=3 245 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,0,0|1,0,1]=3 247 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,0,0|1,0,1]=3 248 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,0|1,0,1]=3 249 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,0,0|1,0,1]=3 250 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,1,0,0,0,0|1,0,2]=4 251 B12R1.34 C#CC(C)N(C)c1ccccc1 34a_100000210012_200000035995 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,1,0,0,0,0|0,0,3]=4 254 B12R1.34 CC(C#N)N(C)c1ccccc1 2230a_100000210012_100000184139 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.34 CC(C#N)N(C)c1ccccc1 269982a_100000210012_100000703298 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.34 CC(C#N)N(C)c1ccccc1 34a_100000762819_200000210301 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.34 CC(C#N)N([13CH3])c1ccccc1 34a_100000762819_200025704644 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,0|2,0,1]=4 259 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,0|1,0,2]=4 262 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,0|1,0,2]=4 263 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|1,0,1]=3 268 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|1,0,2]=4 269 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,0|2,0,1]=4 277 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,0|2,0,1]=4 278 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,0|2,0,1]=4 281 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,0|1,0,1]=3 285 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,0|0,0,2]=3 286 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,0|0,0,2]=3 287 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,0|1,0,2]=4 290 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,0|1,0,2]=4 291 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,0|1,0,1]=3 296 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,0,0,0,0|2,0,1]=4 298 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,0,0,0,0|1,0,1]=3 301 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,0,0,0,0|1,0,1]=3 302 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,0,0,0,0|1,0,1]=3 303 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,1,0,0,0,0|1,0,2]=4 306 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,1,0,0,0,0|1,0,2]=4 307 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,1,0,0,0,0|1,0,2]=4 308 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,1,0,0,0,0|1,0,2]=4 309 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,1,0,0,0,0|1,0,2]=4 310 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,1,0,0,0,0|1,0,2]=4 311 B12R1.124 CC(C)N(C)c1ccccc1Br 2230a_100020606079_100000210206 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100000219599_200000210301 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100020606079_100000210206 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100000219599_200000210301 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100020606079_100000210206 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.124 CC(C)N(C)c1ccccc1Br 7a_100000219599_200000210301 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.124 CC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000210206 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000210206 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219376_200000210301 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219374_100000210206 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219376_200000210301 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.124 CC(C)N(C)c1ccccc1Cl 7a_100000219376_200000210301 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.124 CC(C)N(C)c1ccccc1F 2230a_100000220357_100000210206 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220357_100000210206 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220358_200000210301 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220357_100000210206 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220358_200000210301 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220357_100000210206 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220358_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.124 CC(C)N(C)c1ccccc1F 7a_100000220358_200000210301 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.124 CC(C)N(C)c1ccccc1O 269982a_100000033821_100000210206 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 269982a_100000219599_200025704644 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 34a_100000219599_200025704644 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 7a_100000219599_200025704644 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 269982a_100000219376_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 34a_100000219376_200025704644 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 7a_100000219376_200025704644 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.124 CC(C)N([13CH3])c1ccccc1F 269982a_100000220358_200025704644 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.124 CC(C)N([13CH3])c1ccccc1F 34a_100000220358_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.124 CC(C)N([13CH3])c1ccccc1F 38a_100000220358_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.124 CC(C)N([13CH3])c1ccccc1F 7a_100000220358_200025704644 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,1,0,0,0,0|1,0,2]=4 357 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219699_100000210206 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219699_100000210206 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219699_100000210206 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.124 Cc1ccccc1N(C)C(C)C 7a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 2230a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 269982a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 34a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 7a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,0,0,0,0|1,0,1]=3 369 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,0,0,0,0|1,0,1]=3 370 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,0,0,0,0|1,0,1]=3 371 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,0,0,0,0|2,0,1]=4 372 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,0,0,0,0|2,0,1]=4 373 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,0,0|1,0,1]=3 375 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,0,0,0,0|1,0,1]=3 376 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,0,0,0,0|1,0,1]=3 377 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,0,0|2,0,1]=4 378 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [0,1,0,0,0,0|1,0,2]=4 382 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [0,1,0,0,0,0|1,0,2]=4 383 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [0,1,0,0,0,0|1,0,2]=4 384 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [0,1,0,0,0,0|1,0,2]=4 385 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [0,1,0,0,0,0|1,0,2]=4 386 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [0,1,0,0,0,0|1,0,2]=4 387 B12R1.225 CC(C)N(C)c1cccc(c1)Br 2230a_100000219648_100000210206 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100000210206 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.225 CC(C)N(C)c1cccc(c1)Br 269982a_100000219649_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219648_100000210206 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.225 CC(C)N(C)c1cccc(c1)Br 34a_100000219649_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.225 CC(C)N(C)c1cccc(c1)Br 7a_100000219649_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100000210206 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100000210206 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.225 CC(C)N(C)c1cccc(c1)Cl 34a_100000220044_100000210206 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100000220071_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.225 CC(C)N(C)c1cccc(c1)F 2230a_100020633736_100000210206 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100000220071_200000210301 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.225 CC(C)N(C)c1cccc(c1)F 269982a_100020633736_100000210206 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100000220071_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.225 CC(C)N(C)c1cccc(c1)F 34a_100020633736_100000210206 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.225 CC(C)N(C)c1cccc(c1)F 7a_100000220071_200000210301 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.225 CC(C)N(C)c1cccc(c1)I 2230a_100000221217_100000210206 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.225 CC(C)N(C)c1cccc(c1)I 269982a_100000221217_100000210206 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.225 CC(C)N(C)c1cccc(c1)I 34a_100000221217_100000210206 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.225 CC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000210206 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.225 CC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000210206 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.225 CC(C)N(C)c1cccc(c1)O 34a_100000756613_100000210206 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 269982a_100000219649_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 34a_100000219649_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.225 CC(C)N([13CH3])c1cccc(c1)Br 7a_100000219649_200025704644 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 2230a_100000220071_200025704644 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 269982a_100000220071_200025704644 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 34a_100000220071_200025704644 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.225 CC(C)N([13CH3])c1cccc(c1)F 7a_100000220071_200025704644 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [0,1,0,0,0,0|3,0,0]=4 425 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,1,0,0,0,0|1,0,2]=4 427 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,0,0|1,0,1]=3 428 B12R1.225 Cc1cccc(c1)N(C)C(C)C 2230a_100000219674_100000210206 [0,1,0,0,0,0|3,0,0]=4 429 B12R1.225 Cc1cccc(c1)N(C)C(C)C 269982a_100000219674_100000210206 [0,1,0,0,0,0|3,0,0]=4 430 B12R1.225 Cc1cccc(c1)N(C)C(C)C 34a_100000219674_100000210206 [0,1,0,0,0,0|3,0,0]=4 431 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,0,0|2,0,1]=4 432 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,0,0,0,0|1,0,1]=3 433 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,0,0,0,0|1,0,1]=3 434 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,1,0,0,0,0|2,0,1]=4 435 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,1,0,0,0,0|2,0,1]=4 436 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,1,0,0,0,0|2,0,1]=4 437 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,1,0,0,0,0|1,0,1]=3 438 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,1,0,0,0,0|2,0,1]=4 439 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.253 CN(C)C(F)(F)c1ccccc1 269982a_100102631434_100000036403 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,1,0,0,0,0|1,0,1]=3 443 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,1,0,0,0,0|1,0,1]=3 444 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,1,0,0,0,0|1,0,1]=3 445 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,1,0,0,0,0|1,0,1]=3 446 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,1,0,0,0,0|1,0,1]=3 447 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,0,0,0,0|1,0,1]=3 450 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,0,0|1,1,1]=4 451 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,0,0|1,1,1]=4 452 B12R1.478 CC(C)C(N[13CH3])c1ccccn1 2230a_100015183375_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.478 CC(C)C(N[13CH3])c1cccnc1 2230a_100015185317_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.478 CC(C)C(N[13CH3])c1ccncc1 2230a_100000755331_200025704644 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,1,0,0,0,0|1,0,0]=2 456 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,1,0,0,0,0|1,0,0]=2 457 B12R1.478 CC(C)N(CF)c1ccccc1 269982a_100000210572_100015361967 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.478 CC(C)N(CF)c1ccccc1 34a_100000210572_100015361967 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.478 CC(C)N(CF)c1ccccc1 7a_100000210572_100015361967 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,1,0,0,0,0|2,0,0]=3 461 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,1,0,0,0,0|2,0,0]=3 462 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210013_100000210206 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210202 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210013_100000210206 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210572_100000204670 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210013_100000210206 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210572_100000210202 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.478 CCN(c1ccccc1)C(C)C 7a_100000210572_100000210202 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.478 CNC(c1ccccn1)C(C)C 2230a_100015183375_200000210301 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.478 CNC(c1ccccn1)C(C)C 269862a_106832991636_100011350566 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.478 CNC(c1cccnc1)C(C)C 2230a_100015185317_200000210301 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.478 CNC(c1ccncc1)C(C)C 2230a_100000755331_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,0,0,0,0|2,0,0]=3 485 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,1,0,0,0,0|2,0,0]=3 486 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,0,0|1,0,1]=3 488 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,0,0|1,0,1]=3 489 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,1,0,0,0,0|1,0,0]=2 490 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,1,0,0,0,0|1,0,0]=2 491 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,0,0|1,0,1]=3 492 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,0,0|1,0,1]=3 493 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,0,0|1,1,1]=4 494 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,0,0|1,1,1]=4 495 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,0,0,0,0|1,1,1]=4 496 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,0,0,0,0|1,1,1]=4 497 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,0,0,0,0|1,0,1]=3 499 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,0,0|1,0,1]=3 501 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,0,0|1,0,1]=3 502 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,0,0,0,0|1,1,1]=4 503 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,0,0,0,0|1,1,1]=4 504 B12R1.564 CN(c1ccccc1)C(C)(C)C 269982a_100000210012_100000210625 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.564 CN(c1ccccc1)C(C)(C)C 34a_100000210012_100000210625 [0,1,0,0,0,0|3,0,0]=4 506 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,0|1,0,2]=4 507 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,1,0,0|1,0,2]=4 508 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,1,0,0|1,0,2]=4 509 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,0|3,0,0]=4 510 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,0|3,0,0]=4 511 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,0|3,0,0]=4 512 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,0|3,0,0]=4 513 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,0,0,1,0,0|2,0,1]=4 514 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [0,0,0,1,0,0|3,0,0]=4 515 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [0,0,0,1,0,0|3,0,0]=4 516 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|2,0,1]=4 517 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,0,0,1,0,0|3,0,0]=4 518 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|2,0,1]=4 519 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,0,0,0,1|2,0,1]=4 520 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,0,0,0,1|2,0,1]=4 521 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,0,0,0,0,1|2,0,1]=4 522 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,0,0,0,0,1|2,0,1]=4 523 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,0,0,0,0,1|2,0,1]=4 524 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,0,0,0,0,1|2,0,1]=4 525 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,0,0,0,0,1|2,0,1]=4 526 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,0,0,0,1|1,0,1]=3 527 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,0,0,0,0,1|1,0,2]=4 528 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,0,0,0,0,1|1,0,2]=4 529 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,0,0,0,0,1|1,0,2]=4 530 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,0,0,0,0,1|1,0,2]=4 531 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,0,0,0,0,1|1,0,2]=4 532 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,0,0,0,0,1|3,0,0]=4 533 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,0,0,0,0,1|3,0,0]=4 534 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,0,0,0,0,1|3,0,0]=4 535 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,0,0,0,0,1|3,0,0]=4 536 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,0,0,0,0,1|3,0,0]=4 537 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,0,0,0,0,1|3,0,0]=4 538 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,0,0,0,0,1|3,0,0]=4 539 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,0,0,0,0,1|3,0,0]=4 540 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,0,0,0,1|2,0,1]=4 541 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,0,0,0,0,1|3,0,0]=4 542 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,0,0,0,0,1|1,0,2]=4 543 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,0,0,0,0,1|1,0,2]=4 544 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,0,0,0,0,1|1,0,2]=4 545 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,0,0,0,0,1|1,0,2]=4 546 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,0,0,0,0,1|1,0,2]=4 547 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,0,0,0,1|2,0,1]=4 548 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,0,0,0,0,1|2,0,1]=4 549 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,0,0,0,0,1|2,0,1]=4 550 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,0,0,0,0,1|2,0,1]=4 551 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,0,0,0,1|2,0,1]=4 552 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,0,0,0,1|2,0,1]=4 553 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,0,0,0,0,1|2,0,1]=4 554 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,0,0,0,0,1|1,0,2]=4 555 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,0,0,0,1|1,0,2]=4 556 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,0,0,0,0,1|1,0,2]=4 557 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,0,0,0,1|1,0,2]=4 558 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,0,0,0,1|1,0,2]=4 559 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,0,0,0,1|2,0,1]=4 560 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,0,0,0,0,1|2,0,1]=4 561 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,0,0,0,0,1|2,0,1]=4 562 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,0,0,0,0,1|2,0,1]=4 563 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,0,0,0,0,1|2,0,1]=4 564 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,0,0,0,1|1,0,1]=3 565 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,0,0,0,1|2,0,1]=4 566 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,0,0,0,1|2,0,1]=4 567 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,0,0,0,1|1,0,1]=3 568 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,0,0,0,1|1,0,1]=3 569 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,0,0,0,1|1,0,1]=3 570 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,0,0,0,1|2,0,1]=4 571 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,0,0,0,1|2,0,1]=4 572 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,0,0,0,1|2,0,1]=4 573 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,0,0,0,1|2,0,1]=4 574 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,0,0,0,0,1|1,0,2]=4 575 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,0,0,0,0,1|3,0,0]=4 576 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,0,0,0,0,1|3,0,0]=4 577 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,0,0,0,0,1|3,0,0]=4 578 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,0,0,0,0,1|2,0,0]=3 579 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,0,0,0,0,1|3,0,0]=4 580 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,0,0,0,0,1|3,0,0]=4 581 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,0,0,0,0,1|3,0,0]=4 582 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,0,0,0,0,1|1,0,2]=4 583 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,0,0,0,0,1|1,0,2]=4 584 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,0,0,0,0,1|1,0,2]=4 585 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,0,0,0,0,1|1,0,2]=4 586 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,0,0,0,0,1|2,0,0]=3 587 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,0,0,0,0,1|2,0,0]=3 588 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,0,0,0,0,1|3,0,0]=4 589 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,0,0,0,0,1|3,0,0]=4 590 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,0,0,0,0,1|3,0,0]=4 591 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,0,0,0,0,1|2,0,0]=3 592 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,0,0,0,0,1|2,0,0]=3 593 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,0,0,0,0,1|2,0,0]=3 594 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,0,0,0,0,1|2,0,0]=3 595 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,0,0,0,0,1|2,0,0]=3 596 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,0,0,0,0,1|2,0,0]=3 597 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,0,0,0,1|2,0,1]=4 598 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,0,0,0,0,1|3,0,0]=4 599 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,0,0,0,0,1|3,0,0]=4 600 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,0,0,0,0,1|3,0,0]=4 601 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,0,0,0,0,1|1,0,2]=4 602 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,0,0,0,0,1|3,0,0]=4 603 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,0,0,0,0,1|3,0,0]=4 604 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,0,0,0,0,1|3,0,0]=4 605 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,0,0,0,0,1|2,0,0]=3 606 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,0,0,0,0,1|2,0,0]=3 607 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,0,0,0,0,1|2,0,0]=3 608 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,0,0,0,0,1|2,0,0]=3 609 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,0,0,0,0,1|2,0,0]=3 610 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,0,0,0,0,1|2,0,0]=3 611 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,0,0,0,0,1|3,0,0]=4 612 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,0,0,0,0,1|3,0,0]=4 613 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,0,0,0,0,1|3,0,0]=4 614 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,0,0,0,1|1,0,1]=3 615 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [1,0,1,0,0,0|2,0,0]=4 616 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [1,0,1,0,0,0|2,0,0]=4 617 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [1,0,1,0,0,0|2,0,0]=4 618 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|1,0,1]=4 619 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,2]=4 620 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,2]=4 627 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 628 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 629 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 630 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 631 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 632 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 635 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 636 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 643 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 644 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 645 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 646 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 647 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 648 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 649 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 650 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 651 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 653 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 656 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 657 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 658 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 659 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 661 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 662 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 663 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 664 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 665 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 666 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 668 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 669 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 670 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 677 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 681 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 682 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 683 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 684 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 685 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 686 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 687 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 692 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,1,0,0,0,0|0,0,2]=4 705 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,1,0,0,0,0|0,0,2]=4 706 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,1,0,0,0,0|0,0,2]=4 707 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,1,0,0,0,0|0,0,2]=4 708 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,1,0,0,0,0|0,0,2]=4 710 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,1,0,0,0,0|0,0,2]=4 711 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,1,0,0,0,0|0,0,2]=4 712 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,1,0,0,0,0|0,0,2]=4 713 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,1,0,0,0,0|1,0,0]=3 725 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,1,0,0,0,0|0,0,0]=2 728 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,1,0,0,0,0|0,0,0]=2 729 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,1,0,0,0,0|0,0,0]=2 730 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,1,0,0,0,0|0,0,0]=2 731 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 739 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,1,0,0,0,0|0,0,2]=4 741 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,1,0,0,0,0|0,0,0]=2 743 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 744 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,1,0,0,0,0|0,0,2]=4 750 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,1,0,0,0,0|0,0,0]=2 752 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|1,0,0]=3 759 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|1,0,0]=3 760 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|0,0,2]=4 763 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,1,0,0,0,0|0,0,2]=4 773 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,1,0,0,0,0|0,0,2]=4 774 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,1,0,0,0,0|0,0,2]=4 775 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|1,0,0]=3 777 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|1,0,0]=3 784 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|1,0,0]=3 785 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|1,0,0]=3 786 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|1,0,0]=3 787 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|1,0,0]=3 789 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|0,0,2]=4 799 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 800 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|1,0,0]=3 802 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|1,0,0]=3 804 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|0,0,0]=2 806 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|0,0,0]=2 807 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|0,0,0]=2 808 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|0,0,0]=2 809 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|0,0,0]=2 812 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|0,0,0]=2 813 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|0,0,0]=2 814 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|0,0,0]=2 818 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|0,0,0]=2 823 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|0,0,2]=4 824 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|0,0,2]=4 825 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|0,0,0]=2 828 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|0,0,0]=2 829 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,1,0,0,0,0|1,0,1]=4 833 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|0,0,0]=2 834 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|0,0,0]=2 835 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|0,0,2]=4 838 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|0,0,2]=4 839 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|0,0,0]=2 843 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,1,0,0,0,0|1,0,0]=3 844 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,1,0,0,0,0|1,0,0]=3 845 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 846 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|0,0,2]=4 848 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|0,0,2]=4 849 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|0,0,0]=2 850 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|0,0,0]=2 851 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|0,0,0]=2 853 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|0,0,0]=2 854 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,1,0,0,0,0|2,0,0]=4 865 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|0,0,2]=4 866 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|0,0,2]=4 867 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|0,0,2]=4 868 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|0,0,2]=4 869 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|0,0,2]=4 870 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|0,0,2]=4 871 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|0,0,2]=4 872 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|1,0,0]=3 873 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|0,0,0]=2 874 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,0]=3 922 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|2,0,0]=4 949 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|2,0,0]=4 950 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|2,0,0]=4 960 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|0,0,2]=4 985 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|0,0,0]=2 986 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|1,0,0]=3 987 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|0,0,2]=4 1004 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|0,0,2]=4 1005 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|0,0,2]=4 1006 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|0,0,2]=4 1007 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|0,0,2]=4 1008 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|0,0,2]=4 1009 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|0,0,2]=4 1010 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|0,0,0]=2 1011 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,1,0,0,0,0|1,0,0]=3 1050 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1054 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1077 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|0,0,2]=4 1087 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|2,0,0]=4 1099 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|0,0,2]=4 1104 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|0,0,2]=4 1105 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|0,0,2]=4 1106 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|0,0,2]=4 1107 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|0,0,2]=4 1108 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|0,0,2]=4 1109 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|0,0,2]=4 1110 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [1,1,0,0,0,0|2,0,0]=4 1177 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|0,0,0]=2 1183 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,1]=4 1185 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,1]=4 1186 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|1,0,1]=4 1187 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|1,0,1]=4 1188 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,1]=4 1189 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,1]=4 1190 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,1]=4 1191 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,1]=4 1192 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,1]=4 1193 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,1]=4 1194 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,1]=4 1195 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,1]=4 1196 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|1,0,0]=3 1197 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 1235 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1236 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 1237 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1238 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 1239 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [1,1,0,0,0,0|2,0,0]=4 1240 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1241 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 1242 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 1243 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1245 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,1,0,0,0,0|2,0,0]=4 1246 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1247 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1248 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 1249 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 1250 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 1251 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1252 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1254 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1255 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|1,0,1]=4 1257 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 1259 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1260 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 1261 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1263 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1265 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,1,0,0,0,0|2,0,0]=4 1269 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,1,0,0,0,0|2,0,0]=4 1271 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,1]=4 1272 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,1]=4 1273 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,1]=4 1274 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,1]=4 1275 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,1]=4 1276 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,1]=4 1277 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,1,0,0,0,0|2,0,0]=4 1278 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,1,0,0,0,0|2,0,0]=4 1279 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [1,1,0,0,0,0|2,0,0]=4 1280 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,1,0,0,0,0|1,0,1]=4 1282 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [1,1,0,0,0,0|1,0,1]=4 1283 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [1,1,0,0,0,0|1,0,1]=4 1284 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,1,0,0,0,0|2,0,0]=4 1285 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,1,0,0,0,0|2,0,0]=4 1286 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,1,0,0,0,0|2,0,0]=4 1287 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,1,0,0,0,0|2,0,0]=4 1288 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 1289 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 1290 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1291 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|1,0,0]=3 1292 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,1,0,0,0,0|1,0,0]=3 1293 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,1,0,0,0,0|1,0,0]=3 1294 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,1,0,0,0,0|2,0,0]=4 1295 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,1]=4 1296 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|2,0,0]=4 1297 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|2,0,0]=4 1298 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|2,0,0]=4 1299 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|2,0,0]=4 1300 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|2,0,0]=4 1301 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|2,0,0]=4 1302 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|2,0,0]=4 1304 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|2,0,0]=4 1305 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 1306 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|2,0,0]=4 1307 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 1308 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 1309 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,1,0,0,0,0|1,0,0]=3 1311 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|0,0,0]=2 1312 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|0,0,0]=2 1313 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,1,0,0,0,0|1,0,0]=3 1314 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,1,0,0,0,0|1,0,0]=3 1315 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,1,0,0,0,0|1,0,0]=3 1316 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,1,0,0,0,0|1,0,0]=3 1317 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,1,0,0,0,0|2,0,0]=4 1318 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,1,0,0,0,0|2,0,0]=4 1319 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 1320 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|1,0,0]=3 1321 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 1322 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,1,0,0,0,0|2,0,0]=4 1323 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,1,0,0,0,0|2,0,0]=4 1324 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|1,0,0]=3 1325 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1326 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,1,0,0,0,0|2,0,0]=4 1327 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|1,0,1]=4 1329 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|1,0,1]=4 1330 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|1,0,1]=4 1331 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,1]=4 1332 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,1]=4 1333 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|1,0,1]=4 1334 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|1,0,1]=4 1335 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|1,0,1]=4 1336 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|1,0,1]=4 1337 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|1,0,1]=4 1338 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|1,0,1]=4 1339 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,1]=4 1340 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,1]=4 1341 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [1,1,0,0,0,0|2,0,0]=4 1342 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [1,1,0,0,0,0|2,0,0]=4 1343 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [1,1,0,0,0,0|2,0,0]=4 1344 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [1,1,0,0,0,0|2,0,0]=4 1345 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [1,1,0,0,0,0|2,0,0]=4 1346 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 1347 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [1,1,0,0,0,0|2,0,0]=4 1348 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [1,1,0,0,0,0|2,0,0]=4 1349 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [1,1,0,0,0,0|2,0,0]=4 1350 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [1,1,0,0,0,0|2,0,0]=4 1351 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [1,1,0,0,0,0|2,0,0]=4 1352 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [1,1,0,0,0,0|2,0,0]=4 1353 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 1354 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 1355 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 1356 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,1,0,0,0,0|2,0,0]=4 1358 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [1,1,0,0,0,0|2,0,0]=4 1360 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [1,1,0,0,0,0|2,0,0]=4 1361 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [1,1,0,0,0,0|2,0,0]=4 1362 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [1,1,0,0,0,0|2,0,0]=4 1363 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [1,1,0,0,0,0|2,0,0]=4 1364 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [1,1,0,0,0,0|2,0,0]=4 1365 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [1,1,0,0,0,0|2,0,0]=4 1366 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [1,1,0,0,0,0|2,0,0]=4 1367 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 1368 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [1,1,0,0,0,0|2,0,0]=4 1369 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [1,1,0,0,0,0|2,0,0]=4 1370 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [1,1,0,0,0,0|2,0,0]=4 1372 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [1,1,0,0,0,0|2,0,0]=4 1373 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1374 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [1,1,0,0,0,0|2,0,0]=4 1375 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1376 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [1,1,0,0,0,0|2,0,0]=4 1377 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [1,1,0,0,0,0|2,0,0]=4 1378 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1379 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [1,1,0,0,0,0|2,0,0]=4 1380 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1381 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [1,1,0,0,0,0|2,0,0]=4 1382 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [1,1,0,0,0,0|2,0,0]=4 1383 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1384 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [1,1,0,0,0,0|2,0,0]=4 1385 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [1,1,0,0,0,0|2,0,0]=4 1386 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [1,1,0,0,0,0|2,0,0]=4 1387 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 1388 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 1389 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,1,0,0,0,0|2,0,0]=4 1390 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [1,1,0,0,0,0|2,0,0]=4 1391 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1396 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1397 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 1398 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,1]=4 1400 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1401 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 1402 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1403 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 1404 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,1,0,0,0,0|2,0,0]=4 1405 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1406 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1407 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [1,1,0,0,0,0|2,0,0]=4 1408 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 1409 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 1410 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [1,1,0,0,0,0|2,0,0]=4 1411 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [1,1,0,0,0,0|2,0,0]=4 1412 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,1]=4 1413 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|1,0,1]=4 1414 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|1,0,1]=4 1415 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|1,0,1]=4 1416 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|1,0,1]=4 1417 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,1]=4 1418 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|1,0,1]=4 1419 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|1,0,1]=4 1420 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|1,0,1]=4 1421 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|1,0,1]=4 1422 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|1,0,1]=4 1423 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|1,0,1]=4 1424 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|1,0,1]=4 1425 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|1,0,1]=4 1426 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|1,0,1]=4 1427 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|1,0,1]=4 1428 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|1,0,1]=4 1429 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|1,0,1]=4 1430 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|1,0,1]=4 1431 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,1,0,0,0,0|1,0,0]=3 1432 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [1,1,0,0,0,0|2,0,0]=4 1433 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [1,1,0,0,0,0|2,0,0]=4 1434 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [1,1,0,0,0,0|2,0,0]=4 1435 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [1,1,0,0,0,0|2,0,0]=4 1436 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [1,1,0,0,0,0|2,0,0]=4 1437 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [1,1,0,0,0,0|2,0,0]=4 1438 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [1,1,0,0,0,0|2,0,0]=4 1442 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [1,1,0,0,0,0|2,0,0]=4 1443 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [1,1,0,0,0,0|2,0,0]=4 1444 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [1,1,0,0,0,0|2,0,0]=4 1445 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [1,1,0,0,0,0|2,0,0]=4 1446 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [1,1,0,0,0,0|2,0,0]=4 1448 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [1,1,0,0,0,0|2,0,0]=4 1449 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [1,1,0,0,0,0|2,0,0]=4 1454 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [1,1,0,0,0,0|2,0,0]=4 1460 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [1,1,0,0,0,0|2,0,0]=4 1469 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [1,1,0,0,0,0|2,0,0]=4 1470 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 1473 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [1,1,0,0,0,0|2,0,0]=4 1478 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [1,1,0,0,0,0|2,0,0]=4 1479 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [1,1,0,0,0,0|2,0,0]=4 1480 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [1,1,0,0,0,0|2,0,0]=4 1483 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [1,1,0,0,0,0|2,0,0]=4 1484 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [1,1,0,0,0,0|2,0,0]=4 1485 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [1,1,0,0,0,0|2,0,0]=4 1486 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [1,1,0,0,0,0|2,0,0]=4 1487 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|1,0,1]=4 1495 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [1,1,0,0,0,0|2,0,0]=4 1505 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [1,1,0,0,0,0|2,0,0]=4 1506 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [1,1,0,0,0,0|2,0,0]=4 1507 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [1,1,0,0,0,0|2,0,0]=4 1508 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [1,1,0,0,0,0|2,0,0]=4 1509 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [1,1,0,0,0,0|2,0,0]=4 1510 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|1,0,1]=4 1511 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|1,0,1]=4 1512 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|1,0,1]=4 1513 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|1,0,1]=4 1514 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|1,0,1]=4 1515 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|1,0,1]=4 1516 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [1,1,0,0,0,0|2,0,0]=4 1517 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000211941_100000041952 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000719477_100000211941 [1,1,0,0,0,0|2,0,0]=4 1520 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,1,0,0,0,1|1,0,1]=4 1521 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,1,0,0,0,1|1,0,1]=4 1522 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,1|1,0,1]=4 1523 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,1,0,0,0,1|1,0,1]=4 1524 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,1,0,0,0,1|1,0,1]=4 1525 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,1,0,0,0,1|1,0,1]=4 1526 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,1|1,0,1]=4 1527 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,1,0,0,0,1|1,0,1]=4 1528 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 2230a_100000754830_200025704644 [0,1,0,0,0,1|0,0,2]=4 1529 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 34a_100000754830_200025704644 [0,1,0,0,0,1|0,0,2]=4 1530 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,1,0,0,0,1|1,0,1]=4 1531 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,1|1,0,1]=4 1532 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_100000754830_200000210301 [0,1,0,0,0,1|0,0,2]=4 1533 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_106832991635_100000183986 [0,1,0,0,0,1|0,0,2]=4 1534 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100000754830_200000210301 [0,1,0,0,0,1|0,0,2]=4 1535 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100102657272_100000183986 [0,1,0,0,0,1|0,0,2]=4 1536 B13R1.135 CNC(C)C(=O)Nc1ccccc1 7a_106832991635_100000183986 [0,1,0,0,0,1|0,0,2]=4 1537 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,1,0,0,0,1|1,0,0]=3 1538 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,1,0,0,0,1|1,0,0]=3 1539 B13R1.135 CNC(C)C(C)Oc1ccccc1 270004a_106832991635_100000150574 [0,1,0,0,0,1|1,0,0]=3 1540 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,1,0,0,0,1|1,0,1]=4 1541 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,1,0,0,0,1|1,0,1]=4 1542 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,1,0,0,0,1|1,0,1]=4 1543 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,1,0,0,0,1|1,0,1]=4 1544 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,1,0,0,0,1|1,0,1]=4 1545 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,1,0,0,0,1|1,0,1]=4 1546 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,1,0,0,0,1|1,0,1]=4 1547 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,1,0,0,0,1|1,0,1]=4 1548 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,1,0,0,0,1|1,0,1]=4 1549 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_200000210301 [0,1,0,0,0,1|2,0,0]=4 1550 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_200000210301 [0,1,0,0,0,1|2,0,0]=4 1551 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 2230a_100016995599_200025704644 [0,1,0,0,0,1|2,0,0]=4 1552 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 269982a_100016995599_200025704644 [0,1,0,0,0,1|2,0,0]=4 1553 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,1,0,0,0,1|2,0,0]=4 1554 B13R1.11 C#CC(C)NC(C)c1ccccc1 2230a_100000707721_100000230085 [0,1,0,0,0,1|2,0,0]=4 1555 B13R1.11 C#CC(C)NC(C)c1ccccc1 34a_100000707721_100000211855 [0,1,0,0,0,1|2,0,0]=4 1556 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,1,0,0,0,1|2,0,0]=4 1557 B13R1.11 C#CC(C)SC(C)c1ccccc1 62a_200000035995_100000230085 [0,1,0,0,0,1|2,0,0]=4 1558 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,1,0,0,0,1|2,0,0]=4 1559 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,1,0,0,0,1|2,0,0]=4 1560 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,1,0,0,0,1|2,0,0]=4 1561 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,1,0,0,0,1|2,0,0]=4 1562 B13R1.11 CC(C#N)NC(C)c1ccccc1 2230a_100000737613_100000230085 [0,1,0,0,0,1|1,0,1]=4 1563 B13R1.11 CC(C#N)N[C@H](C)c1ccccc1 2230a_100000751104_100000184139 [0,1,0,0,0,1|1,0,1]=4 1564 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,1,0,0,0,1|1,0,1]=4 1565 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,1,0,0,0,1|1,0,1]=4 1566 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000230085_100000703298 [0,1,0,0,0,1|1,0,1]=4 1567 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000703298_100000230085 [0,1,0,0,0,1|1,0,1]=4 1568 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,1,0,0,0,1|2,0,0]=4 1569 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,1,0,0,0,1|2,0,0]=4 1570 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,1|1,0,0]=3 1571 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,1,0,0,0,1|2,0,0]=4 1572 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,1,0,0,0,1|2,0,0]=4 1573 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,1,0,0,0,1|2,0,0]=4 1574 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,1,0,0,0,1|2,0,0]=4 1575 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,1,0,0,0,1|2,0,0]=4 1576 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,1,0,0,0,1|2,0,0]=4 1577 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,1,0,0,0,1|2,0,0]=4 1578 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,1,0,0,0,1|2,0,0]=4 1579 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,1,0,0,0,1|2,0,0]=4 1580 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,1,0,0,0,1|1,0,1]=4 1581 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,1,0,0,0,1|1,0,1]=4 1582 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,1,0,0,0,1|1,0,1]=4 1583 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,0,0,0,1|2,0,0]=4 1584 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,0,0,0,1|2,0,0]=4 1585 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,0,0,0,1|2,0,0]=4 1586 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,0,0,0,1|2,0,0]=4 1587 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,0,0,0,1|2,0,0]=4 1588 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,0,0,0,1|2,0,0]=4 1589 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,0,0,0,1|2,0,0]=4 1590 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,0,0,0,1|2,0,0]=4 1591 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,1,0,0,0,1|2,0,0]=4 1592 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,1,0,0,0,1|2,0,0]=4 1593 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,1,0,0,0,1|2,0,0]=4 1594 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,1,0,0,0,1|2,0,0]=4 1595 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [0,1,0,0,0,1|2,0,0]=4 1596 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,1,0,0,0,1|1,0,1]=4 1597 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,1,0,0,0,1|2,0,0]=4 1598 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,1,0,0,0,1|2,0,0]=4 1599 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,1,0,0,0,1|1,0,1]=4 1600 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,1,0,0,0,1|1,0,1]=4 1601 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,1,0,0,0,1|1,0,1]=4 1602 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,1,0,0,0,1|1,0,1]=4 1603 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,1,0,0,0,1|1,0,1]=4 1604 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Br 271570a_100015190218_100000752885 [0,1,0,0,0,1|2,0,0]=4 1605 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [0,1,0,0,0,1|2,0,0]=4 1606 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)F 271570a_100015190218_100000211213 [0,1,0,0,0,1|2,0,0]=4 1607 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)N 271570a_100015190218_100000185761 [0,1,0,0,0,1|2,0,0]=4 1608 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [0,1,0,0,0,1|2,0,0]=4 1609 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 2230a_100138425928_100000755118 [0,1,0,0,0,1|2,0,0]=4 1610 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 34a_100138425928_100000755118 [0,1,0,0,0,1|2,0,0]=4 1611 B13R1.132 CC(C)NC(C)c1ccc(cc1)Cl 2230a_100138425928_100000684792 [0,1,0,0,0,1|2,0,0]=4 1612 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 2230a_100138425928_100000743420 [0,1,0,0,0,1|2,0,0]=4 1613 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 34a_100138425928_100000743420 [0,1,0,0,0,1|2,0,0]=4 1614 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210206 [0,1,0,0,0,1|2,0,0]=4 1615 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210206 [0,1,0,0,0,1|2,0,0]=4 1616 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210206 [0,1,0,0,0,1|2,0,0]=4 1617 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210206 [0,1,0,0,0,1|2,0,0]=4 1618 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210206 [0,1,0,0,0,1|2,0,0]=4 1619 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210206 [0,1,0,0,0,1|2,0,0]=4 1620 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210206 [0,1,0,0,0,1|2,0,0]=4 1621 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000212225_100000755118 [0,1,0,0,0,1|2,0,0]=4 1622 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100000210206 [0,1,0,0,0,1|2,0,0]=4 1623 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000210206 [0,1,0,0,0,1|2,0,0]=4 1624 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100000210206 [0,1,0,0,0,1|2,0,0]=4 1625 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000212225_100000743420 [0,1,0,0,0,1|2,0,0]=4 1626 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000210206 [0,1,0,0,0,1|2,0,0]=4 1627 B13R1.132 CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100000210206 [0,1,0,0,0,1|2,0,0]=4 1628 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210206 [0,1,0,0,0,1|2,0,0]=4 1629 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210206 [0,1,0,0,0,1|2,0,0]=4 1630 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000210206_100000755118 [0,1,0,0,0,1|2,0,0]=4 1631 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000755118_100000210206 [0,1,0,0,0,1|2,0,0]=4 1632 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000210206_100000684792 [0,1,0,0,0,1|2,0,0]=4 1633 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000684792_100000210206 [0,1,0,0,0,1|2,0,0]=4 1634 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000210206_100000743420 [0,1,0,0,0,1|2,0,0]=4 1635 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000743420_100000210206 [0,1,0,0,0,1|2,0,0]=4 1636 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [0,1,0,0,0,1|2,0,0]=4 1637 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [0,1,0,0,0,1|2,0,0]=4 1638 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [0,1,0,0,0,1|2,0,0]=4 1639 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [0,1,0,0,0,1|2,0,0]=4 1640 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1641 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1642 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 2230a_100138425928_100011261388 [0,1,0,0,0,1|2,0,0]=4 1643 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 34a_100138425928_100011261388 [0,1,0,0,0,1|2,0,0]=4 1644 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C 34a_100000212225_100011261388 [0,1,0,0,0,1|2,0,0]=4 1645 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100000210206_100011261388 [0,1,0,0,0,1|2,0,0]=4 1646 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100011261388_100000210206 [0,1,0,0,0,1|2,0,0]=4 1647 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100016988085_100000210206 [0,1,0,0,0,1|2,0,0]=4 1648 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 34a_100016988085_100000210206 [0,1,0,0,0,1|2,0,0]=4 1649 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 34a_100000690690_100000210206 [0,1,0,0,0,1|2,0,0]=4 1650 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 7a_100000690690_100000210206 [0,1,0,0,0,1|2,0,0]=4 1651 B13R1.132 Cc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000186775 [0,1,0,0,0,1|2,0,0]=4 1652 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 34a_217856618577_100000210206 [0,1,0,0,0,1|2,0,0]=4 1653 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 7a_217856618577_100000210206 [0,1,0,0,0,1|2,0,0]=4 1654 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,1,0,0,0,1|1,0,1]=4 1655 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [0,1,0,0,0,1|2,0,0]=4 1656 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [0,1,0,0,0,1|2,0,0]=4 1657 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [0,1,0,0,0,1|2,0,0]=4 1658 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [0,1,0,0,0,1|2,0,0]=4 1659 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [0,1,0,0,0,1|2,0,0]=4 1660 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [0,1,0,0,0,1|2,0,0]=4 1661 B13R1.147 CC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000210206 [0,1,0,0,0,1|2,0,0]=4 1662 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000210206 [0,1,0,0,0,1|2,0,0]=4 1663 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100000210206 [0,1,0,0,0,1|2,0,0]=4 1664 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [0,1,0,0,0,1|2,0,0]=4 1665 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210206 [0,1,0,0,0,1|2,0,0]=4 1666 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100000210206 [0,1,0,0,0,1|2,0,0]=4 1667 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100000210206 [0,1,0,0,0,1|2,0,0]=4 1668 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000210206 [0,1,0,0,0,1|2,0,0]=4 1669 B13R1.147 CC(C)OC(C)c1cccc(c1)F 34a_100000744526_100000210206 [0,1,0,0,0,1|2,0,0]=4 1670 B13R1.147 CC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000210206 [0,1,0,0,0,1|2,0,0]=4 1671 B13R1.147 CC(C)OC(C)c1cccc(c1)I 34a_100013085317_100000210206 [0,1,0,0,0,1|2,0,0]=4 1672 B13R1.147 CC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000210206 [0,1,0,0,0,1|2,0,0]=4 1673 B13R1.147 CC(C)OC(C)c1cccc(c1)N 34a_100011217120_100000210206 [0,1,0,0,0,1|2,0,0]=4 1674 B13R1.147 CC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000210206 [0,1,0,0,0,1|2,0,0]=4 1675 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210206 [0,1,0,0,0,1|2,0,0]=4 1676 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210206 [0,1,0,0,0,1|2,0,0]=4 1677 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [0,1,0,0,0,1|2,0,0]=4 1678 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [0,1,0,0,0,1|2,0,0]=4 1679 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [0,1,0,0,0,1|2,0,0]=4 1680 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [0,1,0,0,0,1|2,0,0]=4 1681 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [0,1,0,0,0,1|2,0,0]=4 1682 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [0,1,0,0,0,1|2,0,0]=4 1683 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [0,1,0,0,0,1|2,0,0]=4 1684 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [0,1,0,0,0,1|2,0,0]=4 1685 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 34a_100000757818_100000210206 [0,1,0,0,0,1|2,0,0]=4 1686 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 7a_100000757818_100000210206 [0,1,0,0,0,1|2,0,0]=4 1687 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [0,1,0,0,0,1|2,0,0]=4 1688 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [0,1,0,0,0,1|2,0,0]=4 1689 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [0,1,0,0,0,1|2,0,0]=4 1690 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,1,0,0,0,1|1,0,1]=4 1691 B13R1.201 CC(C)C[C@H](N)c1ccccc1Br 271570a_100015190218_100000695589 [0,1,0,0,0,1|2,0,0]=4 1692 B13R1.201 CC(C)C[C@H](N)c1ccccc1Cl 271570a_100015190218_100000764095 [0,1,0,0,0,1|2,0,0]=4 1693 B13R1.201 CC(C)C[C@H](N)c1ccccc1F 271570a_100015190218_100011215700 [0,1,0,0,0,1|2,0,0]=4 1694 B13R1.201 CC(C)C[C@H](N)c1ccccc1N 271570a_100015190218_100000210017 [0,1,0,0,0,1|2,0,0]=4 1695 B13R1.201 CC(C)C[C@H](N)c1ccccc1O 271570a_100015190218_100000739446 [0,1,0,0,0,1|2,0,0]=4 1696 B13R1.201 CC(C)NC(C)c1ccccc1Br 2230a_100000181357_100000210206 [0,1,0,0,0,1|2,0,0]=4 1697 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000210206 [0,1,0,0,0,1|2,0,0]=4 1698 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100138425928_100000181259 [0,1,0,0,0,1|2,0,0]=4 1699 B13R1.201 CC(C)NC(C)c1ccccc1Cl 34a_100000174978_100000210206 [0,1,0,0,0,1|2,0,0]=4 1700 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100000181408_100000210206 [0,1,0,0,0,1|2,0,0]=4 1701 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100138425928_200000741388 [0,1,0,0,0,1|2,0,0]=4 1702 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100000181408_100000210206 [0,1,0,0,0,1|2,0,0]=4 1703 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100138425928_200000741388 [0,1,0,0,0,1|2,0,0]=4 1704 B13R1.201 CC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000210206 [0,1,0,0,0,1|2,0,0]=4 1705 B13R1.201 CC(C)OC(C)c1ccccc1Br 34a_100000702211_100000210206 [0,1,0,0,0,1|2,0,0]=4 1706 B13R1.201 CC(C)OC(C)c1ccccc1Br 7a_100000702211_100000210206 [0,1,0,0,0,1|2,0,0]=4 1707 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [0,1,0,0,0,1|2,0,0]=4 1708 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [0,1,0,0,0,1|2,0,0]=4 1709 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000212225_200000741388 [0,1,0,0,0,1|2,0,0]=4 1710 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000697922_100000210206 [0,1,0,0,0,1|2,0,0]=4 1711 B13R1.201 CC(C)OC(C)c1ccccc1F 7a_100000697922_100000210206 [0,1,0,0,0,1|2,0,0]=4 1712 B13R1.201 CC(C)OC(C)c1ccccc1N 7a_100011405641_100000210206 [0,1,0,0,0,1|2,0,0]=4 1713 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000210206 [0,1,0,0,0,1|2,0,0]=4 1714 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000210206_100000181259 [0,1,0,0,0,1|2,0,0]=4 1715 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_100000210206_200000741388 [0,1,0,0,0,1|2,0,0]=4 1716 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_200000741388_100000210206 [0,1,0,0,0,1|2,0,0]=4 1717 B13R1.201 Cc1ccccc1C(C)NC(C)C 2230a_100000181355_100000210206 [0,1,0,0,0,1|2,0,0]=4 1718 B13R1.201 Cc1ccccc1C(C)NC(C)C 34a_100000181355_100000210206 [0,1,0,0,0,1|2,0,0]=4 1719 B13R1.201 Cc1ccccc1C(C)OC(C)C 34a_100000742021_100000210206 [0,1,0,0,0,1|2,0,0]=4 1720 B13R1.201 Cc1ccccc1C(C)OC(C)C 7a_100000742021_100000210206 [0,1,0,0,0,1|2,0,0]=4 1721 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [0,1,0,0,0,1|2,0,0]=4 1722 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100011218174_100000210206 [0,1,0,0,0,1|2,0,0]=4 1723 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100138425928_100000034625 [0,1,0,0,0,1|2,0,0]=4 1724 B13R1.347 CC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000210206 [0,1,0,0,0,1|2,0,0]=4 1725 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000034625_100000210206 [0,1,0,0,0,1|2,0,0]=4 1726 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000210206_100000034625 [0,1,0,0,0,1|2,0,0]=4 1727 B13R1.347 CC(C)SC(F)(F)c1ccccc1 62a_100000210206_100000036403 [0,1,0,0,0,1|2,0,0]=4 1728 B13R1.347 CN(C)CC(C)(O)c1ccccc1 2230a_100011660921_200000210301 [0,1,0,0,0,1|2,0,0]=4 1729 B13R1.347 CN(C)CC(C)(O)c1ccccc1 269982a_100011660921_200000210301 [0,1,0,0,0,1|2,0,0]=4 1730 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 2230a_100011660921_200025704644 [0,1,0,0,0,1|2,0,0]=4 1731 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 269982a_100011660921_200025704644 [0,1,0,0,0,1|2,0,0]=4 1732 B13R1.352 CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_100000230085 [0,1,0,0,0,1|2,0,0]=4 1733 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [0,1,0,0,0,1|2,0,0]=4 1734 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [0,1,0,0,0,1|2,0,0]=4 1735 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000211941_100000230085 [0,1,0,0,0,1|2,0,0]=4 1736 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000230085_100000211941 [0,1,0,0,0,1|2,0,0]=4 1737 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [0,1,0,0,0,1|2,0,0]=4 1738 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,1,0,0,0,1|2,0,0]=4 1739 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,1,0,0,0,1|2,0,0]=4 1740 B13R1.713 C=CC(NC(C)C)c1ccccc1 2230a_100138425928_200000085779 [0,1,0,0,0,1|2,0,0]=4 1741 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,1,0,0,0,1|2,0,0]=4 1742 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,1,0,0,0,1|2,0,0]=4 1743 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_100000210206_200000085779 [0,1,0,0,0,1|2,0,0]=4 1744 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_200000085779_100000210206 [0,1,0,0,0,1|2,0,0]=4 1745 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,1,0,0,0,1|1,0,1]=4 1746 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [0,1,0,0,0,1|1,0,1]=4 1747 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [0,1,0,0,0,1|1,0,1]=4 1748 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,1,0,0,0,1|2,0,0]=4 1749 B13R1.713 CC(C)NC(CO)c1ccccn1 2230a_100015196888_100000210206 [0,1,0,0,0,1|2,0,0]=4 1750 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,1,0,0,0,1|1,0,0]=3 1751 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,1,0,0,0,1|1,0,0]=3 1752 B13R1.713 CC(C)N[C@H](CO)c1ccncc1 2230a_100138412524_100000210206 [0,1,0,0,0,1|2,0,0]=4 1753 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,1,0,0,0,1|2,0,0]=4 1754 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,1,0,0,0,1|2,0,0]=4 1755 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,1,0,0,0,1|2,0,0]=4 1756 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,1,0,0,0,1|2,0,0]=4 1757 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,1,0,0,0,1|2,0,0]=4 1758 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,1,0,0,0,1|2,0,0]=4 1759 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,1,0,0,0,1|2,0,0]=4 1760 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,1,0,0,0,1|2,0,0]=4 1761 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,1,0,0,0,1|2,0,0]=4 1762 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,1,0,0,0,1|2,0,0]=4 1763 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,1,0,0,0,1|1,0,1]=4 1764 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,2,0,0,0,0|1,0,1]=4 1765 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,2,0,0,0,0|1,0,1]=4 1766 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,2,0,0,0,0|1,0,1]=4 1767 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,2,0,0,0,0|1,0,1]=4 1768 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,2,0,0,0,0|1,0,1]=4 1769 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,2,0,0,0,0|1,0,1]=4 1770 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,2,0,0,0,0|1,0,1]=4 1771 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,2,0,0,0,0|1,0,1]=4 1772 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,2,0,0,0,0|1,0,1]=4 1773 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,2,0,0,0,0|1,0,1]=4 1774 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 2230a_106832991635_100000184162 [0,2,0,0,0,0|0,0,2]=4 1775 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 34a_100102657272_100000184162 [0,2,0,0,0,0|0,0,2]=4 1776 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 7a_106832991635_100000184162 [0,2,0,0,0,0|0,0,2]=4 1777 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 2230a_106832991635_100000726416 [0,2,0,0,0,0|0,0,2]=4 1778 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 34a_100102657272_100000726416 [0,2,0,0,0,0|0,0,2]=4 1779 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 7a_106832991635_100000183984 [0,2,0,0,0,0|0,0,2]=4 1780 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 2230a_106832991635_100000183210 [0,2,0,0,0,0|0,0,2]=4 1781 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991635_100000183210 [0,2,0,0,0,0|0,0,2]=4 1782 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 2230a_106832991635_100000229918 [0,2,0,0,0,0|0,0,2]=4 1783 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 34a_100102657272_100000229918 [0,2,0,0,0,0|0,0,2]=4 1784 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 7a_106832991635_100000229918 [0,2,0,0,0,0|0,0,2]=4 1785 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 2230a_106832991635_200010205864 [0,2,0,0,0,0|0,0,2]=4 1786 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 34a_100102657272_200010205864 [0,2,0,0,0,0|0,0,2]=4 1787 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 7a_106832991635_200010205864 [0,2,0,0,0,0|0,0,2]=4 1788 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200000210301 [0,2,0,0,0,0|0,0,0]=2 1789 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200000210301 [0,2,0,0,0,0|0,0,0]=2 1790 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200025704644 [0,2,0,0,0,0|0,0,0]=2 1791 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,2,0,0,0,0|0,0,0]=2 1792 B13R1.21 Cc1ccc(cc1)[C@@H](O)C(=O)CF 1458a_100009815954_100015361967 [0,2,0,0,0,0|1,0,1]=4 1793 B13R1.21 O=C(CF)C(O)c1ccc(cc1)Br 1458a_100000756554_100015361967 [0,2,0,0,0,0|1,0,1]=4 1794 B13R1.21 O=C(CF)C(O)c1ccc(cc1)F 1458a_100000209909_100015361967 [0,2,0,0,0,0|1,0,1]=4 1795 B13R1.21 O=C(CF)C(O)c1ccc(cc1)O 1458a_100011215213_100015361967 [0,2,0,0,0,0|1,0,1]=4 1796 B13R1.21 O=C(CF)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100015361967 [0,2,0,0,0,0|1,0,1]=4 1797 B13R1.36 C=Cc1ccc(cc1)[C@@H](N)C(C)C 271570a_100011290941_100102422763 [0,2,0,0,0,0|2,0,0]=4 1798 B13R1.36 CC(C)[C@H](N)c1ccc(cc1)S[13CH3] 62a_100102422763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1799 B13R1.36 CC(C)[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100102422763 [0,2,0,0,0,0|2,0,0]=4 1800 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,2,0,0,0,0|1,0,1]=4 1801 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,2,0,0,0,0|1,0,1]=4 1802 B13R1.36 CSc1ccc(cc1)[C@@H](N)C(C)C 62a_100102422763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1803 B13R1.36 CSc1ccc(cc1)[C@@H](N)C(C)C 62a_200000210301_100102422763 [0,2,0,0,0,0|2,0,0]=4 1804 B13R1.163 CC(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200000210301 [0,2,0,0,0,0|1,0,1]=4 1805 B13R1.163 CC(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200000210301 [0,2,0,0,0,0|1,0,1]=4 1806 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200025704644 [0,2,0,0,0,0|1,0,1]=4 1807 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200025704644 [0,2,0,0,0,0|1,0,1]=4 1808 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,2,0,0,0,0|1,0,1]=4 1809 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,2,0,0,0,0|1,0,1]=4 1810 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,2,0,0,0,0|1,0,1]=4 1811 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,2,0,0,0,0|1,0,1]=4 1812 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_200000210301 [0,2,0,0,0,0|1,0,1]=4 1813 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)Cl 1458a_100000695402_200000210301 [0,2,0,0,0,0|1,0,1]=4 1814 B13R1.522 CC(O)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000695402_200025704644 [0,2,0,0,0,0|1,0,1]=4 1815 B13R1.522 Cc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_100011434902_200025704644 [0,2,0,0,0,0|1,0,1]=4 1816 B13R1.525 Oc1ccc(cc1)[C@H](O)C(F)(F)F 271570a_203496583355_100010192173 [0,2,0,0,0,0|2,0,0]=4 1817 B13R1.706 CC(C)C(C#N)c1ccc(cc1)O 271570a_203496583355_100000698803 [0,2,0,0,0,0|2,0,0]=4 1818 B13R1.706 CC(C)C(N[13CH3])c1ccc(cc1)Cl 2230a_100015204473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1819 B13R1.706 CC(C)C(N[13CH3])c1ccc(cc1)Cl 34a_100015204473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1820 B13R1.706 CC(C)[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100102422763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1821 B13R1.706 CC(C)[C@H](N[13CH3])c1ccc(cc1)Br 34a_100102422763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1822 B13R1.706 CNC(c1ccc(cc1)Br)C(C)C 269862a_106832991636_100011220430 [0,2,0,0,0,0|2,0,0]=4 1823 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 2230a_100015204473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1824 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 269862a_106832991636_100000742363 [0,2,0,0,0,0|2,0,0]=4 1825 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 34a_100015204473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1826 B13R1.706 CNC(c1ccc(cc1)F)C(C)C 269862a_106832991636_100011218555 [0,2,0,0,0,0|2,0,0]=4 1827 B13R1.706 CN[C@H](c1ccc(cc1)Br)C(C)C 2230a_100102422763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1828 B13R1.706 CN[C@H](c1ccc(cc1)Br)C(C)C 34a_100102422763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1829 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 2230a_100020633675_200000210301 [0,2,0,0,0,0|2,0,0]=4 1830 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 34a_100020633675_200000210301 [0,2,0,0,0,0|2,0,0]=4 1831 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,2,0,0,0,0|1,0,1]=4 1832 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,2,0,0,0,0|1,0,1]=4 1833 B13R1.706 CO[C@@H](c1ccc(cc1)Cl)[C@@H](C)N 34a_200009830414_200000210301 [0,2,0,0,0,0|0,0,0]=2 1834 B13R1.706 C[C@@H](N)[C@@H](O[13CH3])c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,2,0,0,0,0|0,0,0]=2 1835 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 2230a_100020633675_200025704644 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 34a_100020633675_200025704644 [0,2,0,0,0,0|2,0,0]=4 1837 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,2,0,0,0,0|1,0,1]=4 1838 B13R1.22 CCC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210202 [0,2,0,0,0,0|1,0,1]=4 1839 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,2,0,0,0,0|1,0,1]=4 1840 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,2,0,0,0,0|1,0,1]=4 1841 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,2,0,0,0,0|1,0,1]=4 1842 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,2,0,0,0,0|1,0,1]=4 1843 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 2230a_106832991635_100012349134 [0,2,0,0,0,0|0,0,2]=4 1844 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 34a_100102657272_100012349134 [0,2,0,0,0,0|0,0,2]=4 1845 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 7a_106832991635_100012349134 [0,2,0,0,0,0|0,0,2]=4 1846 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 2230a_106832991635_100000184413 [0,2,0,0,0,0|0,0,2]=4 1847 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 34a_100102657272_100000184413 [0,2,0,0,0,0|0,0,2]=4 1848 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 7a_106832991635_100000184413 [0,2,0,0,0,0|0,0,2]=4 1849 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 2230a_106832991635_100012356231 [0,2,0,0,0,0|0,0,2]=4 1850 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 34a_100102657272_100012356231 [0,2,0,0,0,0|0,0,2]=4 1851 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 7a_106832991635_100012356231 [0,2,0,0,0,0|0,0,2]=4 1852 B13R1.22 Cc1cccc(c1)C(O)C(=O)CF 1458a_100011434945_100015361967 [0,2,0,0,0,0|1,0,1]=4 1853 B13R1.22 O=C(CF)C(O)c1cccc(c1)Cl 1458a_100011216955_100015361967 [0,2,0,0,0,0|1,0,1]=4 1854 B13R1.22 O=C(CF)C(O)c1cccc(c1)F 1458a_100011434943_100015361967 [0,2,0,0,0,0|1,0,1]=4 1855 B13R1.47 C#CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000184674 [0,2,0,0,0,0|1,0,1]=4 1856 B13R1.47 C=CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210623 [0,2,0,0,0,0|1,0,1]=4 1857 B13R1.47 CC(CN[13CH3])N(C)c1ccccc1 2230a_100000245588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,2,0,0,0,0|1,0,1]=4 1859 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,2,0,0,0,0|1,0,1]=4 1860 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,2,0,0,0,0|0,0,2]=4 1861 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.47 CNCC(C)N(C)c1ccccc1 2230a_100000245588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.47 CNNC(=O)[C@H](O)c1ccccc1 22a_100016993582_100000684486 [0,2,0,0,0,0|1,0,1]=4 1864 B13R1.47 C[C@H](OCF)[C@@H](N)c1ccccc1 34a_100134616770_100015361967 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.47 N#CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100011214920 [0,2,0,0,0,0|1,0,1]=4 1866 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,2,0,0,0,0|1,0,1]=4 1867 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,2,0,0,0,0|1,0,1]=4 1868 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,2,0,0,0,0|0,0,0]=2 1869 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,2,0,0,0,0|0,0,0]=2 1870 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 2230a_106832991635_200009813919 [0,2,0,0,0,0|0,0,2]=4 1871 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 7a_106832991635_200009813919 [0,2,0,0,0,0|0,0,2]=4 1872 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [0,2,0,0,0,0|1,0,1]=4 1873 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,2,0,0,0,0|1,0,1]=4 1874 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [0,2,0,0,0,0|1,0,1]=4 1877 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,2,0,0,0,0|1,0,1]=4 1878 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,2,0,0,0,0|1,0,1]=4 1879 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,2,0,0,0,0|1,0,1]=4 1880 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 1881 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 1882 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 1883 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,2,0,0,0,0|1,0,1]=4 1884 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,2,0,0,0,0|1,0,1]=4 1885 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,2,0,0,0,0|1,0,1]=4 1886 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [0,2,0,0,0,0|1,0,1]=4 1887 B13R1.532 CO[C@@H](C(=O)CF)c1ccccc1 1458a_100000698336_100015361967 [0,2,0,0,0,0|1,0,1]=4 1888 B13R1.532 O=C(CF)C(CO)c1ccccc1 1458a_100011218805_100015361967 [0,2,0,0,0,0|1,0,1]=4 1889 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [0,2,0,0,0,0|1,0,1]=4 1890 B13R1.696 CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210202 [0,2,0,0,0,0|1,0,1]=4 1891 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,2,0,0,0,0|1,0,1]=4 1892 B13R1.696 CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000210202 [0,2,0,0,0,0|1,0,1]=4 1893 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,2,0,0,0,0|1,0,1]=4 1894 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,2,0,0,0,0|1,0,1]=4 1895 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,2,0,0,0,0|1,0,1]=4 1896 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 2230a_106832991635_100010255250 [0,2,0,0,0,0|0,0,2]=4 1897 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 7a_106832991635_100010255250 [0,2,0,0,0,0|0,0,2]=4 1898 B13R1.696 COC(=O)C(O)c1ccccc1O 271570a_203496583355_200011625927 [0,2,0,0,0,0|1,0,1]=4 1899 B13R1.696 O=C(CF)C(O)c1ccccc1Br 1458a_200011356456_100015361967 [0,2,0,0,0,0|1,0,1]=4 1900 B13R1.696 O=C(CF)C(O)c1ccccc1Cl 1458a_100011217820_100015361967 [0,2,0,0,0,0|1,0,1]=4 1901 B13R1.696 O=C(CF)C(O)c1ccccc1F 1458a_100011219519_100015361967 [0,2,0,0,0,0|1,0,1]=4 1902 B13R1.708 CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210202 [0,2,0,0,0,0|1,0,1]=4 1903 B13R1.708 CNC(=O)[C@](C)(O)c1ccccc1 240690a_100102657272_100000753667 [0,2,0,0,0,0|1,0,1]=4 1904 B13R1.708 C[C@](O)(C(=O)CF)c1ccccc1 1458a_100000753667_100015361967 [0,2,0,0,0,0|1,0,1]=4 1905 B13R1.89 COc1ccccc1C(O)C(Cl)Cl 7a_206447358928_200000210301 [0,2,0,0,0,0|2,0,0]=4 1906 B13R1.89 [13CH3]Oc1ccccc1C(O)C(Cl)Cl 7a_206447358928_200025704644 [0,2,0,0,0,0|2,0,0]=4 1907 B13R1.276 Oc1ccccc1C(O)C(F)(F)F 271570a_203496583355_100011517496 [0,2,0,0,0,0|2,0,0]=4 1908 B13R1.720 COC(C(=O)C)c1ccccc1C 1458a_100012277922_200000210301 [0,2,0,0,0,0|1,0,1]=4 1909 B13R1.720 COC(C(=O)C)c1ccccc1F 1458a_100012277919_200000210301 [0,2,0,0,0,0|1,0,1]=4 1910 B13R1.720 COC(C(=O)[13CH3])c1ccccc1C 1458a_100012277922_200025704644 [0,2,0,0,0,0|1,0,1]=4 1911 B13R1.720 COC(C(=O)[13CH3])c1ccccc1F 1458a_100012277919_200025704644 [0,2,0,0,0,0|1,0,1]=4 1912 B13R1.897 CC(=O)C(O)c1cc(ccc1C)C 1458a_100011497465_200000210301 [0,2,0,0,0,0|1,0,1]=4 1913 B13R1.897 CC(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200000210301 [0,2,0,0,0,0|1,0,1]=4 1914 B13R1.897 Cc1ccc(c(c1)C(O)C(=O)[13CH3])C 1458a_100011497465_200025704644 [0,2,0,0,0,0|1,0,1]=4 1915 B13R1.897 [13CH3]C(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200025704644 [0,2,0,0,0,0|1,0,1]=4 1916 B13R1.3768 CC(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200000210301 [0,2,0,0,0,0|1,0,1]=4 1917 B13R1.3768 [13CH3]C(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200025704644 [0,2,0,0,0,0|1,0,1]=4 1918 B13R1.3789 CC(=O)C(O)c1c(cccc1F)F 1458a_200011216624_200000210301 [0,2,0,0,0,0|1,0,1]=4 1919 B13R1.3789 [13CH3]C(=O)C(O)c1c(cccc1F)F 1458a_200011216624_200025704644 [0,2,0,0,0,0|1,0,1]=4 1920 B13R1.716 CC(C)[C@@H](N[13CH3])c1cccc(c1)Cl 2230a_100009818290_200025704644 [0,2,0,0,0,0|2,0,0]=4 1921 B13R1.716 CC(C)[C@@H](N[13CH3])c1cccc(c1)Cl 34a_100009818290_200025704644 [0,2,0,0,0,0|2,0,0]=4 1922 B13R1.716 CNC(c1cccc(c1)Br)C(C)C 269862a_106832991636_100011350656 [0,2,0,0,0,0|2,0,0]=4 1923 B13R1.716 CN[C@@H](c1cccc(c1)Cl)C(C)C 2230a_100009818290_200000210301 [0,2,0,0,0,0|2,0,0]=4 1924 B13R1.716 CN[C@@H](c1cccc(c1)Cl)C(C)C 34a_100009818290_200000210301 [0,2,0,0,0,0|2,0,0]=4 1925 B13R1.716 COC(C(=O)C)c1cccc(c1)Cl 1458a_100012350482_200000210301 [0,2,0,0,0,0|1,0,1]=4 1926 B13R1.716 COC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100012350482_200025704644 [0,2,0,0,0,0|1,0,1]=4 1927 B13R1.3423 CC(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200000210301 [0,2,0,0,0,0|1,0,1]=4 1928 B13R1.3423 [13CH3]C(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200025704644 [0,2,0,0,0,0|1,0,1]=4 1929 B13R1.3492 Oc1cccc(c1)C(O)C(F)(F)F 271570a_203496583355_100000766643 [0,2,0,0,0,0|2,0,0]=4 1930 B13R1.3085 CCC(O)(C(=O)C)c1ccccc1 1458a_100011434905_200000210301 [0,2,0,0,0,0|1,0,1]=4 1931 B13R1.3085 CCC(O)(C(=O)[13CH3])c1ccccc1 1458a_100011434905_200025704644 [0,2,0,0,0,0|1,0,1]=4 1932 B13R1.405 C=C(C)C(OCC)c1ccccc1 34a_200011216824_100000210202 [0,2,0,0,0,0|1,0,1]=4 1933 B13R1.405 C=C(C)C(OCC)c1ccccc1 7a_200011216824_100000210202 [0,2,0,0,0,0|1,0,1]=4 1934 B13R1.405 C=C(C)C(OCF)c1ccccc1 34a_200011216824_100015361967 [0,2,0,0,0,0|1,0,1]=4 1935 B13R1.405 C=C(C)C(OCF)c1ccccc1 7a_200011216824_100015361967 [0,2,0,0,0,0|1,0,1]=4 1936 B13R1.405 CC(C)C(OCF)c1ccccc1 34a_200011217822_100015361967 [0,2,0,0,0,0|1,0,0]=3 1937 B13R1.405 CC(C)C(OCF)c1ccccc1 7a_200011217822_100015361967 [0,2,0,0,0,0|1,0,0]=3 1938 B13R1.405 CC(C)N(CCO)c1ccccc1 2230a_100000210572_100000211926 [0,2,0,0,0,0|2,0,0]=4 1939 B13R1.405 CC(C)N(CCO)c1ccccc1 2230a_100000211345_100000210206 [0,2,0,0,0,0|2,0,0]=4 1940 B13R1.405 CC(C)N(CCO)c1ccccc1 269982a_100000210572_100000211926 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.405 CC(C)N(CCO)c1ccccc1 269982a_100000211345_100000210206 [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.405 CC(C)N(CCO)c1ccccc1 34a_100000210572_100000211926 [0,2,0,0,0,0|2,0,0]=4 1943 B13R1.405 CC(C)N(CCO)c1ccccc1 34a_100000211345_100000210206 [0,2,0,0,0,0|2,0,0]=4 1944 B13R1.405 CC(C)N(CCO)c1ccccc1 7a_100000210572_100000211926 [0,2,0,0,0,0|2,0,0]=4 1945 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 2230a_200009885855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1946 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 34a_200009885855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1947 B13R1.405 CC(C)[C@H](NCF)c1ccccc1 34a_100015186014_100015361967 [0,2,0,0,0,0|2,0,0]=4 1948 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 1949 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210202 [0,2,0,0,0,0|2,0,0]=4 1950 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210202 [0,2,0,0,0,0|2,0,0]=4 1951 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [0,2,0,0,0,0|1,0,1]=4 1952 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [0,2,0,0,0,0|1,0,1]=4 1953 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [0,2,0,0,0,0|1,0,0]=3 1954 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [0,2,0,0,0,0|1,0,0]=3 1955 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 2230a_200009885855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1956 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 34a_200009885855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1957 B13R1.405 COCN(c1ccccc1)C(C)C 2230a_100000210572_100000766300 [0,2,0,0,0,0|2,0,0]=4 1958 B13R1.405 COCN(c1ccccc1)C(C)C 269982a_100000210572_100000766300 [0,2,0,0,0,0|2,0,0]=4 1959 B13R1.405 NC(=O)C(OCF)c1ccccc1 34a_100011200849_100015361967 [0,2,0,0,0,0|1,0,1]=4 1960 B13R1.405 NC(=O)C(OCF)c1ccccc1 7a_100011200849_100015361967 [0,2,0,0,0,0|1,0,1]=4 1961 B13R1.719 CC(C)(C)C(N[13CH3])c1ccccc1 2230a_100000738585_200025704644 [0,2,0,0,0,0|2,0,0]=4 1962 B13R1.719 CNC(c1ccccc1)C(C)(C)C 2230a_100000738585_200000210301 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.719 CNC(c1ccccc1)C(C)(C)O 269862a_106832991636_100011217161 [0,2,0,0,0,0|2,0,0]=4 1964 B13R1.719 COC(c1ccccc1)C(Cl)(Cl)Cl 7a_100000745602_200000210301 [0,2,0,0,0,0|2,0,0]=4 1965 B13R1.719 COC(c1ccccc1)C(F)(F)F 34a_100011217100_200000210301 [0,2,0,0,0,0|2,0,0]=4 1966 B13R1.719 COC(c1ccccc1)C(F)(F)F 34a_100138415774_100011413029 [0,2,0,0,0,0|2,0,0]=4 1967 B13R1.719 COC(c1ccccc1)C(F)(F)F 7a_100011217100_200000210301 [0,2,0,0,0,0|2,0,0]=4 1968 B13R1.719 [13CH3]OC(c1ccccc1)C(Cl)(Cl)Cl 7a_100000745602_200025704644 [0,2,0,0,0,0|2,0,0]=4 1969 B13R1.719 [13CH3]OC(c1ccccc1)C(F)(F)F 34a_100011217100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.719 [13CH3]OC(c1ccccc1)C(F)(F)F 7a_100011217100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,2,0,0,0,0|1,0,1]=4 1972 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,2,0,0,0,0|1,0,1]=4 1973 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 2230a_100000233099_200000210301 [0,2,0,0,0,0|2,0,0]=4 1974 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 269982a_100000233099_200000210301 [0,2,0,0,0,0|2,0,0]=4 1975 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 2230a_100000233099_200025704644 [0,2,0,0,0,0|2,0,0]=4 1976 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 269982a_100000233099_200025704644 [0,2,0,0,0,0|2,0,0]=4 1977 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [0,0,1,1,0,0|1,0,1]=4 1978 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [0,0,1,1,0,0|1,0,1]=4 1979 B11R1.266 C=Cc1cccc(c1)C(C)N 271570a_100011290941_100020642005 [0,0,1,1,0,0|1,0,1]=4 1980 B11R1.266 C=Cc1cccc(n1)C(C)N 271570a_100011290941_200010173468 [0,0,1,1,0,0|1,0,1]=4 1981 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,1,0,0|1,0,1]=4 1982 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|2,0,0]=4 1983 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|2,0,0]=4 1984 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|2,0,0]=4 1985 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|2,0,0]=4 1986 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|2,0,0]=4 1987 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 1988 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 1989 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 1990 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 1991 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 1992 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 1993 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 1994 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 1995 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 1996 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,1,0,1|1,0,1]=4 1997 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,1,0,1|1,0,1]=4 1998 B13R2.238 CN1CC(C1)(O)c2ccccc2 2230a_100000717221_200000210301 [0,0,0,1,0,1|2,0,0]=4 1999 B13R2.238 CN1CC(C1)(O)c2ccccc2 269982a_100000717221_200000210301 [0,0,0,1,0,1|2,0,0]=4 2000 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 2230a_100000717221_200025704644 [0,0,0,1,0,1|2,0,0]=4 2001 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 269982a_100000717221_200025704644 [0,0,0,1,0,1|2,0,0]=4 2002 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,0,0,1,0,1|2,0,0]=4 2003 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,0,0,1,0,1|2,0,0]=4 2004 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,0,0,1,0,1|2,0,0]=4 2005 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,0,0,1,0,1|2,0,0]=4 2006 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,0,0,1,0,1|2,0,0]=4 2007 B13R2.520 Oc1ccc(cc1)C(O)C2CC2 271570a_203496583355_100000756592 [0,1,0,1,0,0|1,0,0]=3 2008 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,1,0,0|0,0,0]=2 2009 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,1,0,0|0,0,0]=2 2010 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|1,0,0]=3 2011 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,1,0,1,0,0|1,0,0]=3 2012 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,1,0,1,0,0|1,0,0]=3 2013 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,1,0,1,0,0|1,0,0]=3 2014 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,1,0,1,0,0|1,0,0]=3 2015 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,1,0,0|2,0,0]=4 2016 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,1,0,0|2,0,0]=4 2017 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2018 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,1,0,1,0,0|2,0,0]=4 2019 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2020 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 2021 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 2022 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 2023 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 2024 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2025 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2026 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 2027 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 2028 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 2029 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 2030 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,0,0,0,1|1,0,1]=4 2031 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,0,0,0,1|1,0,1]=4 2032 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,0,0,0,1|1,0,1]=4 2033 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,0,0,0,0,1|1,0,1]=4 2034 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,0,0,0,0,1|1,0,1]=4 2035 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,1|1,0,1]=4 2036 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,1|1,0,1]=4 2037 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,1|1,0,1]=4 2038 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,1|1,0,1]=4 2039 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,1|1,0,1]=4 2040 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,1|1,0,1]=4 2041 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,1|1,0,1]=4 2042 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,1|1,0,1]=4 2043 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,0,0,0,1|1,0,1]=4 2044 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,0,0,0,0,1|1,0,0]=3 2045 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,0,0,0,0,1|1,0,0]=3 2046 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,0,0,0,0,1|1,0,0]=3 2047 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [1,0,0,0,0,1|2,0,0]=4 2048 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [1,0,0,0,0,1|2,0,0]=4 2049 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [1,0,0,0,0,1|2,0,0]=4 2050 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,0,0,0,0,1|1,0,0]=3 2051 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,0,0,0,0,1|1,0,0]=3 2052 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [1,0,0,0,0,1|2,0,0]=4 2053 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [1,0,0,0,0,1|2,0,0]=4 2054 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [1,0,0,0,0,1|2,0,0]=4 2055 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [1,0,0,0,0,1|2,0,0]=4 2056 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [1,0,0,0,0,1|2,0,0]=4 2057 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [1,0,0,0,0,1|2,0,0]=4 2058 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,0,0,0,0,1|1,0,0]=3 2059 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,0,0,0,0,1|1,0,0]=3 2060 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,0,0,0,0,1|1,0,0]=3 2061 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,0,0,0,0,1|1,0,0]=3 2062 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,0,0,0,0,1|1,0,0]=3 2063 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [1,0,0,0,0,1|2,0,0]=4 2064 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [1,0,0,0,0,1|2,0,0]=4 2065 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [1,0,0,0,0,1|2,0,0]=4 2066 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [1,0,0,0,0,1|2,0,0]=4 2067 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [1,0,0,0,0,1|2,0,0]=4 2068 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [1,0,0,0,0,1|2,0,0]=4 2069 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [1,0,0,0,0,1|2,0,0]=4 2070 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [1,0,0,0,0,1|2,0,0]=4 2071 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,0,0,0,0,1|1,0,0]=3 2072 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,0,0,0,0,1|1,0,0]=3 2073 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,0,0,0,0,1|1,0,0]=3 2074 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [1,0,0,0,0,1|2,0,0]=4 2075 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [1,0,0,0,0,1|2,0,0]=4 2076 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,0,0,0,0,1|1,0,0]=3 2077 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,0,0,0,0,1|1,0,0]=3 2078 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [1,0,0,0,0,1|2,0,0]=4 2079 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [1,0,0,0,0,1|2,0,0]=4 2080 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [1,0,0,0,0,1|2,0,0]=4 2081 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [1,0,0,0,0,1|2,0,0]=4 2082 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [1,0,0,0,0,1|2,0,0]=4 2083 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [1,0,0,0,0,1|2,0,0]=4 2084 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,0,0,0,1|1,0,1]=4 2085 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,0,0,0,0,1|1,0,0]=3 2086 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,0,0,0,0,1|1,0,0]=3 2087 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,0,0,0,0,1|1,0,0]=3 2088 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [1,0,0,0,0,1|2,0,0]=4 2089 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [1,0,0,0,0,1|2,0,0]=4 2090 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [1,0,0,0,0,1|2,0,0]=4 2091 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,0,0,0,0,1|1,0,0]=3 2092 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,0,0,0,0,1|1,0,0]=3 2093 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [1,0,0,0,0,1|2,0,0]=4 2094 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [1,0,0,0,0,1|2,0,0]=4 2095 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [1,0,0,0,0,1|2,0,0]=4 2096 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [1,0,0,0,0,1|2,0,0]=4 2097 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [1,0,0,0,0,1|2,0,0]=4 2098 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [1,0,0,0,0,1|2,0,0]=4 2099 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,0,0,0,0,1|2,0,0]=4 2100 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,0,0,0,0,1|2,0,0]=4 2101 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,0,0,0,0,1|2,0,0]=4 2102 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,0,0,0,0,1|2,0,0]=4 2103 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [1,0,0,0,0,1|2,0,0]=4 2104 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [1,0,0,0,0,1|2,0,0]=4 2105 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,0,0,0,0,1|2,0,0]=4 2106 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,0,0,0,0,1|2,0,0]=4 2107 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,0,0,0,0,1|1,0,0]=3 2108 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,0,0,0,0,1|1,0,0]=3 2109 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,0,0,0,0,1|1,0,0]=3 2110 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [1,0,0,0,0,1|2,0,0]=4 2111 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [1,0,0,0,0,1|2,0,0]=4 2112 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [1,0,0,0,0,1|2,0,0]=4 2113 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,0,0,0,0,1|1,0,0]=3 2114 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,0,0,0,0,1|1,0,0]=3 2115 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [1,0,0,0,0,1|2,0,0]=4 2116 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [1,0,0,0,0,1|2,0,0]=4 2117 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [1,0,0,0,0,1|2,0,0]=4 2118 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [1,0,0,0,0,1|2,0,0]=4 2119 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [1,0,0,0,0,1|2,0,0]=4 2120 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [1,0,0,0,0,1|2,0,0]=4 2121 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [1,0,0,0,0,1|2,0,0]=4 2122 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [1,0,0,0,0,1|2,0,0]=4 2123 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [1,0,0,0,0,1|2,0,0]=4 2124 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [1,0,0,0,0,1|2,0,0]=4 2125 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [1,0,0,0,0,1|2,0,0]=4 2126 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,1|1,0,1]=4 2127 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,1|1,0,1]=4 2128 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,1|1,0,1]=4 2129 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,1|1,0,1]=4 2130 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,1|1,0,1]=4 2131 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,1|1,0,1]=4 2132 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,1|1,0,1]=4 2133 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,1|1,0,1]=4 2134 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,0,0,0,0,2|2,0,0]=4 2135 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,0,0,0,0,2|2,0,0]=4 2136 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,0,0,0,0,2|2,0,0]=4 2137 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,0,0,0,0,2|2,0,0]=4 2138 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,0,0,0,0,2|2,0,0]=4 2139 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,0,0,0,0,2|2,0,0]=4 2140 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,0,0,0,0,2|2,0,0]=4 2141 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,0,0,0,0,2|2,0,0]=4 2142 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,0,0,0,0,2|2,0,0]=4 2143 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,0,0,0,0,2|2,0,0]=4 2144 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,0,0,0,0,2|2,0,0]=4 2145 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,0,0,0,0,2|2,0,0]=4 2146 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,0,0,0,0,2|2,0,0]=4 2147 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,0,0,0,0,2|1,0,1]=4 2148 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,0,0,0,0,2|2,0,0]=4 2149 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,0,0,0,0,2|2,0,0]=4 2150 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,0,0,0,0,2|2,0,0]=4 2151 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,0,0,0,0,2|2,0,0]=4 2152 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,0,0,0,0,2|1,0,1]=4 2153 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,0,0,0,0,2|1,0,1]=4 2154 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,0,0,0,0,2|1,0,1]=4 2155 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,0,0,0,0,2|1,0,1]=4 2156 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,0,0,0,0,2|2,0,0]=4 2157 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,0,0,0,0,2|2,0,0]=4 2158 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,0,0,0,0,2|2,0,0]=4 2159 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,0,0,0,0,2|2,0,0]=4 2160 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,0,0,0,0,2|2,0,0]=4 2161 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,0,0,0,0,2|2,0,0]=4 2162 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,0,0,0,0,2|2,0,0]=4 2163 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,0,0,0,0,2|2,0,0]=4 2164 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,0,0,0,0,2|2,0,0]=4 2165 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,0,0,0,0,2|2,0,0]=4 2166 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,0,0,0,0,2|2,0,0]=4 2167 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,0,0,0,0,2|2,0,0]=4 2168 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,0,0,0,0,2|2,0,0]=4 2169 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,0,0,0,0,2|2,0,0]=4 2170 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,0,0,0,0,2|2,0,0]=4 2171 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,0,0,0,0,2|1,0,0]=3 2172 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,0,0,0,0,2|1,0,0]=3 2173 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,0,0,0,0,2|1,0,0]=3 2174 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [0,0,0,0,0,2|2,0,0]=4 2175 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [0,0,0,0,0,2|2,0,0]=4 2176 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,0,0,0,0,2|1,0,0]=3 2177 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,0,0,0,0,2|1,0,0]=3 2178 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,0,0,0,0,2|2,0,0]=4 2179 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,0,0,0,0,2|2,0,0]=4 2180 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,0,0,0,0,2|2,0,0]=4 2181 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,0,0,0,0,2|1,0,0]=3 2182 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,0,0,0,0,2|2,0,0]=4 2183 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,0,0,0,0,2|1,0,0]=3 2184 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,0,0,0,0,2|2,0,0]=4 2185 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,0,0,0,0,2|2,0,0]=4 2186 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,0,0,0,0,2|1,0,0]=3 2187 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,0,0,0,0,2|1,0,0]=3 2188 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,0,0,0,0,2|1,0,0]=3 2189 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,0,0,0,0,2|1,0,0]=3 2190 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,0,0,0,0,2|2,0,0]=4 2191 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,0,0,0,0,2|2,0,0]=4 2192 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,0,0,0,0,2|2,0,0]=4 2193 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,0,0,0,0,2|2,0,0]=4 2194 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,0,0,0,0,2|2,0,0]=4 2195 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,0,0,0,0,2|2,0,0]=4 2196 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,0,0,0,0,2|2,0,0]=4 2197 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,0,0,0,0,2|2,0,0]=4 2198 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,0,0,0,0,2|2,0,0]=4 2199 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,0,0,0,0,2|2,0,0]=4 2200 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,0,0,0,0,2|1,0,0]=3 2201 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,0,0,0,0,2|2,0,0]=4 2202 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,0,0,0,0,2|2,0,0]=4 2203 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,0,0,0,0,2|2,0,0]=4 2204 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,0,0,0,0,2|2,0,0]=4 2205 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,0,0,0,0,2|2,0,0]=4 2206 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,0,0,0,0,2|2,0,0]=4 2207 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,0,0,0,0,2|2,0,0]=4 2208 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,0,0,0,0,2|2,0,0]=4 2209 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,0,0,0,0,2|2,0,0]=4 2210 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,0,0,0,0,2|2,0,0]=4 2211 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,0,0,0,0,2|2,0,0]=4