0 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,0,0,0,0,0|1,0,1]=2 20 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.5 C=Cc1ccc(cn1)C(=O)NC 271570a_100011290941_100000159860 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.5 C=Cc1ccc(nc1)C(=O)CC 271570a_100011290941_100012351654 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.5 C=Cc1ccc(nc1)C(=O)NC 271570a_100011290941_100011781262 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.5 C=Cc1ccc(nn1)C(=O)OC 271570a_100011290941_100009816182 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.5 C=Cc1cnc(cn1)C(=O)OC 271570a_100011290941_100010219404 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.5 C=Cc1cnc(nc1)C(=O)OC 271570a_100011290941_100000690087 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.5 C=Cc1ncc(cn1)C(=O)OC 271570a_100011290941_100000729365 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,0,0,0,0,0|1,0,0]=1 37 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,0,0,0,0,0|1,0,0]=1 38 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,0,0,0,0,0|1,0,0]=1 39 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,0,0,0,0,0|1,0,0]=1 40 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,0,0,0,0,0|1,0,0]=1 41 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,0,0,0,0,0|1,1,0]=2 42 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,0,0,0,0,0|1,1,0]=2 43 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,0,0,0,0,0|1,1,0]=2 44 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,0,0,0,0,0|1,1,0]=2 45 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,0,0,0,0,0|1,1,0]=2 46 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [0,0,0,0,0,0|2,1,0]=3 47 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [0,0,0,0,0,0|2,1,0]=3 48 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [0,0,0,0,0,0|2,1,0]=3 49 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [0,0,0,0,0,0|2,1,0]=3 50 B12R1.5 CCC(=O)c1ncc(cn1)SC 62a_200000210301_200010116844 [0,0,0,0,0,0|3,1,0]=4 51 B12R1.5 CCC(=O)c1ncc(cn1)SC 62a_200010116844_200000210301 [0,0,0,0,0,0|3,1,0]=4 52 B12R1.5 CCC(=O)c1ncc(cn1)S[13CH3] 62a_200010116844_200025704644 [0,0,0,0,0,0|3,1,0]=4 53 B12R1.5 CCC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_200010116844 [0,0,0,0,0,0|3,1,0]=4 54 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,0,0,0,0,0|3,0,1]=4 58 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,0,0,0,0,0|2,0,1]=3 61 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,0,0,0,0,0|2,0,1]=3 62 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,0,0,0,0,0|2,0,1]=3 64 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,0,0,0,0,0|2,1,1]=4 65 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,0,0,0,0,0|2,1,1]=4 66 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,0,0,0,0,0|2,1,1]=4 67 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,0,0,0,0,0|2,1,1]=4 68 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,0,0,0,0,0|2,0,1]=3 69 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,0,0,0,0,0|2,0,1]=3 70 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,0,0,0,0,0|1,1,2]=4 71 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,0,0,0,0,0|1,1,2]=4 72 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,0,0,0,0,0|1,1,2]=4 73 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,0,0,0,0,0|1,1,2]=4 74 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,0,0,0,0,0|3,0,0]=3 76 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,0,0,0,0,0|3,0,0]=3 77 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,0,0,0,0,0|2,1,1]=4 78 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,0,0,0,0,0|2,1,1]=4 79 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,0,0,0,0,0|2,1,1]=4 80 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,0,0,0,0,0|2,1,1]=4 81 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,0,0,0,0,0|3,0,0]=3 82 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,0,0,0,0,0|2,0,0]=2 83 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,0,0,0,0,0|2,0,0]=2 84 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,0,0,0,0,0|2,0,0]=2 85 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,0,0,0,0,0|2,0,0]=2 86 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,0,0,0,0,0|3,0,1]=4 87 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,0,0,0,0,0|3,0,1]=4 88 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,0,0,0,0,0|2,0,1]=3 92 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,0,0,0,0,0|2,0,1]=3 93 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,0,0,0,0,0|2,0,1]=3 94 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,0,0,0,0,0|2,0,1]=3 95 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,0,0,0,0,0|3,0,0]=3 96 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,0,0,0,0,0|3,0,0]=3 97 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,0,0,0,0,0|3,0,0]=3 98 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,0,0,0,0,0|3,0,0]=3 99 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,0,0,0,0,0|3,0,0]=3 100 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,0,0,0,0,0|2,0,0]=2 102 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,0,0,0,0,0|2,0,0]=2 103 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,0,0,0,0,0|2,0,0]=2 105 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,0,0,0,0,0|2,0,0]=2 106 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,0,0,0,0,0|1,0,0]=1 107 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,0,0,0,0,0|1,0,0]=1 108 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,0,0,0,0,0|1,0,0]=1 109 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,0,0,0,0,0|1,0,0]=1 110 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,0,0,0,0,0|1,0,0]=1 111 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,0,0,0,0,0|1,0,0]=1 112 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,0,0,0,0,0|1,0,0]=1 113 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,0,0,0,0,0|1,0,0]=1 114 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,0,0,0,0,0|1,1,0]=2 115 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,0,0,0,0,0|1,1,0]=2 116 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,0,0,0,0,0|1,1,0]=2 117 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,0,0,0,0,0|1,1,0]=2 118 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,0,0,0,0,0|1,1,0]=2 119 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,0,0,0,0,0|1,1,0]=2 120 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,0,0,0,0,0|1,1,0]=2 121 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,0,0,0,0,0|1,1,0]=2 122 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [0,0,0,0,0,0|3,0,0]=3 123 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,0,0,0,0,0|2,0,0]=2 124 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,0,0,0,0,0|2,0,0]=2 125 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,0,0,0,0,0|2,0,0]=2 126 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,0,0,0,0,0|2,0,0]=2 127 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [0,0,0,0,0,0|2,1,0]=3 128 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [0,0,0,0,0,0|2,1,0]=3 129 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [0,0,0,0,0,0|2,1,0]=3 130 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [0,0,0,0,0,0|2,1,0]=3 131 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,0,0,0,0,0|3,0,0]=3 132 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,0,0,0,0,0|2,1,0]=3 133 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,0,0,0,0,0|2,1,0]=3 134 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,0,0,0,0,0|2,1,0]=3 135 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,0,0,0,0,0|2,1,0]=3 136 B12R1.5 CNC(=O)c1ncc(cn1)NC 27a_100102657272_200010127873 [0,0,0,0,0,0|4,0,0]=4 137 B12R1.5 CNC(=O)c1ncc(cn1)SC 62a_200000210301_200010127873 [0,0,0,0,0,0|3,1,0]=4 138 B12R1.5 CNC(=O)c1ncc(cn1)SC 62a_200010127873_200000210301 [0,0,0,0,0,0|3,1,0]=4 139 B12R1.5 CNC(=O)c1ncc(cn1)S[13CH3] 62a_200010127873_200025704644 [0,0,0,0,0,0|3,1,0]=4 140 B12R1.5 CNC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_200010127873 [0,0,0,0,0,0|3,1,0]=4 141 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,0,0,0,0,0|2,0,1]=3 142 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,0,0,0,0,0|2,1,1]=4 143 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,0,0,0,0,0|2,1,1]=4 144 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,0,0,0,0,0|2,1,1]=4 145 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,0,0,0,0,0|2,1,1]=4 146 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,0,0,0,0,0|2,1,1]=4 147 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,0,0,0,0,0|2,1,1]=4 148 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [0,0,0,0,0,0|3,0,1]=4 149 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,0,0,0,0,0|2,0,1]=3 150 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,0,0,0,0,0|3,0,0]=3 151 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,0,0,0,0,0|3,0,1]=4 152 B12R1.5 CNc1ccc(cn1)C(=O)NN 27a_100102657272_100000189807 [0,0,0,0,0,0|4,0,0]=4 153 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,0,0,0,0,0|2,0,0]=2 154 B12R1.5 CNc1ccc(nn1)C(=O)OC 27a_100102657272_100000738951 [0,0,0,0,0,0|3,0,0]=3 155 B12R1.5 CNc1cnc(cn1)C(=O)OC 27a_100102657272_100010219404 [0,0,0,0,0,0|3,0,0]=3 156 B12R1.5 CNc1ncc(cn1)C(=O)OC 27a_100102657272_100000729365 [0,0,0,0,0,0|3,0,0]=3 157 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,0,0,0,0,0|0,0,0]=0 158 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,0,0,0,0,0|0,0,0]=0 159 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,0,0,0,0,0|0,0,0]=0 160 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,0,0,0,0,0|0,0,0]=0 161 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,0,0,0,0,0|0,1,0]=1 162 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,0,0,0,0,0|0,1,0]=1 163 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,0,0,0,0,0|0,1,0]=1 164 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,0,0,0,0,0|0,1,0]=1 165 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,0,0,0,0,0|1,0,0]=1 166 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,0,0,0,0,0|1,0,0]=1 167 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,0,0,0,0,0|1,0,0]=1 168 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,0,0,0,0,0|1,0,0]=1 169 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,0,0,0,0,0|1,1,0]=2 170 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,0,0,0,0,0|1,1,0]=2 171 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,0,0,0,0,0|1,1,0]=2 172 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,0,0,0,0,0|1,1,0]=2 173 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,0,0,0,0,0|1,1,0]=2 174 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,0,0,0,0,0|1,1,0]=2 175 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,0,0,0,0,0|1,1,0]=2 176 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,0,0,0,0,0|1,1,0]=2 177 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_100000738951_200000210301 [0,0,0,0,0,0|2,1,0]=3 178 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_200000210301_100000738951 [0,0,0,0,0,0|2,1,0]=3 179 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_100000738951_200025704644 [0,0,0,0,0,0|2,1,0]=3 180 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_200025704644_100000738951 [0,0,0,0,0,0|2,1,0]=3 181 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_100010219404_200000210301 [0,0,0,0,0,0|2,1,0]=3 182 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_200000210301_100010219404 [0,0,0,0,0,0|2,1,0]=3 183 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_100010219404_200025704644 [0,0,0,0,0,0|2,1,0]=3 184 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100010219404 [0,0,0,0,0,0|2,1,0]=3 185 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_100000729365_200000210301 [0,0,0,0,0,0|2,1,0]=3 186 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_200000210301_100000729365 [0,0,0,0,0,0|2,1,0]=3 187 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_100000729365_200025704644 [0,0,0,0,0,0|2,1,0]=3 188 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000729365 [0,0,0,0,0,0|2,1,0]=3 189 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_100000690087_200000210301 [0,0,0,0,0,0|2,1,0]=3 190 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_200000210301_100000690087 [0,0,0,0,0,0|2,1,0]=3 191 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_100000690087_200025704644 [0,0,0,0,0,0|2,1,0]=3 192 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100000690087 [0,0,0,0,0,0|2,1,0]=3 193 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,0,0,0,0,0|3,0,1]=4 194 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,0,0,0,0,0|1,0,1]=2 195 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,0,0,0,0,0|1,0,1]=2 196 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,0,0,0,0,0|1,1,1]=3 197 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,0,0,0,0,0|1,1,1]=3 198 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,0,0,0,0,0|1,1,1]=3 199 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,0,0,0,0,0|1,1,1]=3 200 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [0,0,0,0,0,0|3,0,1]=4 201 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [0,0,0,0,0,0|3,0,1]=4 202 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,0,0,0,0,0|3,0,0]=3 203 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,0,0,0,0,0|3,0,0]=3 204 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,0,0,0,0,0|2,0,0]=2 205 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,0,0,0,0,0|2,0,0]=2 206 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,0,0,0,0,0|2,0,0]=2 207 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,0,0,0,0,0|2,0,0]=2 208 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,0,0,0,0,0|2,0,0]=2 209 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,0,0,0,0,0|2,0,0]=2 210 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,0,0,0,0,0|3,0,1]=4 211 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,0,0,0,0,0|1,0,1]=2 212 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,0,0,0,0,0|1,0,1]=2 213 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,0,0,0,0,0|1,0,1]=2 214 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,0,0,0,0,0|1,0,1]=2 215 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,0,0,0,0,0|1,0,1]=2 216 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,0,0,0,0,0|1,0,1]=2 217 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,0,0,0,0,0|2,0,2]=4 218 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [0,0,0,0,0,0|4,0,0]=4 219 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [0,0,0,0,0,0|4,0,0]=4 220 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,0,0,0,0,0|2,0,1]=3 221 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,0,0,0,0,0|2,1,0]=3 222 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,0,0,0,0,0|2,1,0]=3 223 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,0,0,0,0,0|2,1,0]=3 224 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,0,0,0,0,0|2,1,0]=3 225 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,0,0,0,0,0|2,1,0]=3 226 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,0,0,0,0,0|2,1,0]=3 227 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,0,0,0,0,0|2,1,0]=3 228 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,0,0,0,0,0|2,1,0]=3 229 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,0,0,0,0,0|2,1,0]=3 230 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,0,0,0,0,0|2,1,0]=3 231 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,0,0,0,0,0|2,1,1]=4 232 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_100000189807_200000210301 [0,0,0,0,0,0|3,1,0]=4 233 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_200000210301_100000189807 [0,0,0,0,0,0|3,1,0]=4 234 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_100011781063_200000210301 [0,0,0,0,0,0|3,1,0]=4 235 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_200000210301_100011781063 [0,0,0,0,0,0|3,1,0]=4 236 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [0,0,0,0,0,0|3,0,1]=4 237 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [0,0,0,0,0,0|3,0,1]=4 238 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,0,0,0,0,0|4,0,0]=4 239 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,0,0,0,0,0|4,0,0]=4 240 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,0,0,0,0,0|3,0,0]=3 241 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,0,0,0,0,0|2,0,0]=2 242 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,0,0,0,0,0|2,0,0]=2 243 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,0,0,0,0,0|2,0,0]=2 244 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,0,0,0,0,0|2,0,0]=2 245 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,0,0,0,0,0|2,0,0]=2 246 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,0,0,0,0,0|2,0,2]=4 247 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,0,0,0,0,0|2,1,0]=3 248 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,0,0,0,0,0|2,1,0]=3 249 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,0,0,0,0,0|2,1,0]=3 250 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,0,0,0,0,0|2,1,0]=3 251 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,0,0,0,0,0|2,1,0]=3 252 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,0,0,0,0,0|2,1,0]=3 253 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,0,0,0,0,0|2,1,0]=3 254 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,0,0,0,0,0|2,1,0]=3 255 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,0,0,0,0,0|2,1,0]=3 256 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_100000189807_200025704644 [0,0,0,0,0,0|3,1,0]=4 257 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_200025704644_100000189807 [0,0,0,0,0,0|3,1,0]=4 258 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_100011781063_200025704644 [0,0,0,0,0,0|3,1,0]=4 259 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_200025704644_100011781063 [0,0,0,0,0,0|3,1,0]=4 260 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [1,0,0,0,0,0|1,0,1]=3 261 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [1,0,0,0,0,0|1,0,1]=3 262 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [1,0,0,0,0,0|2,0,0]=3 265 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [1,0,0,0,0,0|3,0,0]=4 266 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [1,0,0,0,0,0|3,0,0]=4 267 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,0,0,0,0,0|2,0,0]=3 269 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,0,0,0,0,0|1,0,0]=2 271 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,0,0,0,0,0|1,0,0]=2 272 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,0,0,0,0,0|1,0,0]=2 273 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,0,0,0,0,0|1,0,0]=2 274 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,0,0,0,0,0|1,0,0]=2 275 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [1,0,0,0,0,0|1,1,0]=3 276 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [1,0,0,0,0,0|1,1,0]=3 277 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [1,0,0,0,0,0|1,1,0]=3 278 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [1,0,0,0,0,0|1,1,0]=3 279 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [1,0,0,0,0,0|1,1,0]=3 280 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [1,0,0,0,0,0|2,0,0]=3 283 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [1,0,0,0,0,0|2,1,0]=4 284 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [1,0,0,0,0,0|2,0,0]=3 287 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [1,0,0,0,0,0|2,1,0]=4 288 B11R1.3 C=C(C)c1ccc(nn1)OC 271570a_100000694244_100009819040 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.3 C=C(C)c1cnc(nc1)OC 271570a_100000694244_100000686852 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.3 C=C(C)c1ncc(cn1)OC 271570a_100000694244_100000069167 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,0,0,0,0,0|1,0,1]=3 294 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,0,0,0,0,0|1,0,1]=3 295 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,0,0,0,0,0|1,0,1]=3 297 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [1,0,0,0,0,0|2,0,0]=3 301 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,0,0,0,0,0|2,0,0]=3 302 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,0,0,0,0,0|0,0,0]=1 303 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,0,0,0,0,0|0,0,0]=1 304 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,0,0,0,0,0|0,1,0]=2 305 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,0,0,0,0,0|0,1,0]=2 306 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,0,0,0,0,0|1,0,0]=2 307 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,0,0,0,0,0|1,0,0]=2 308 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [1,0,0,0,0,0|1,1,0]=3 309 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [1,0,0,0,0,0|1,1,0]=3 310 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [1,0,0,0,0,0|1,1,0]=3 311 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [1,0,0,0,0,0|1,1,0]=3 312 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [1,0,0,0,0,0|2,1,0]=4 313 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [1,0,0,0,0,0|2,1,0]=4 314 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [1,0,0,0,0,0|2,1,0]=4 315 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [1,0,0,0,0,0|2,1,0]=4 316 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [1,0,0,0,0,0|2,1,0]=4 317 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [1,0,0,0,0,0|2,1,0]=4 318 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [1,0,0,0,0,0|2,0,1]=4 319 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [1,0,0,0,0,0|2,0,1]=4 320 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,0,0,0,0,0|1,0,1]=3 322 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,0,0,0,0,0|1,0,1]=3 323 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [1,0,0,0,0,0|1,1,1]=4 324 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [1,0,0,0,0,0|1,1,1]=4 325 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,0,0,0,0,0|1,0,2]=4 326 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,0,0,0,0,0|1,0,2]=4 327 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,0,0,0,0,0|0,0,2]=3 328 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,0,0,0,0,0|0,0,2]=3 329 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,0,0,0,0,0|0,1,2]=4 330 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,0,0,0,0,0|0,1,2]=4 331 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,0,0,0,0,0|1,0,0]=2 332 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,0,0,0,0,0|1,0,0]=2 333 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [1,0,0,0,0,0|2,1,0]=4 336 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [1,0,0,0,0,0|2,1,0]=4 337 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,0,0,0,0,0|2,0,0]=3 338 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,0,0,0,0,0|2,0,0]=3 339 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [1,0,0,0,0,0|2,0,1]=4 340 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [1,0,0,0,0,0|2,0,1]=4 341 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [1,0,0,0,0,0|2,0,1]=4 342 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,0,0,0,0,0|1,0,2]=4 343 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,0,0,0,0,0|1,0,2]=4 344 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [1,0,0,0,0,0|2,0,1]=4 346 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [1,0,0,0,0,0|2,0,1]=4 347 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [1,0,0,0,0,0|3,0,0]=4 349 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [1,0,0,0,0,0|3,0,0]=4 350 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [1,0,0,0,0,0|3,0,0]=4 351 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,0,0,0,0,0|0,0,0]=1 352 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,0,0,0,0,0|0,0,0]=1 353 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,0,0,0,0,0|0,0,0]=1 354 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,0,0,0,0,0|1,0,0]=2 355 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,0,0,0,0,0|1,0,0]=2 356 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,0,0,0,0,0|0,0,0]=1 357 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,0,0,0,0,0|1,0,1]=3 358 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,0,0,0,0,0|1,0,1]=3 359 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,0,0,0,0,0|0,0,2]=3 360 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,0,0,0,0,0|0,0,2]=3 361 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [1,0,0,0,0,0|2,0,0]=3 362 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [1,0,0,0,0,0|2,0,0]=3 363 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [1,0,0,0,0,0|2,0,0]=3 365 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [1,0,0,0,0,0|2,0,0]=3 366 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [1,0,0,0,0,0|2,0,0]=3 367 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [1,0,0,0,0,0|2,0,0]=3 368 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,0,0,0,0,0|1,0,0]=2 369 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,0,0,0,0,0|1,0,0]=2 370 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,0,0,0,0,0|1,0,1]=3 371 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,0,0,0,0,0|1,0,1]=3 372 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,0,0,0,0,0|1,0,1]=3 373 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,0,0,0,0,0|1,0,0]=2 376 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,0,0,0,0,0|1,0,0]=2 377 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [1,0,0,0,0,0|2,0,1]=4 378 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,0,0,0,0,0|1,0,0]=2 379 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,0,0,0,0,0|1,0,0]=2 380 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [1,0,0,0,0,0|1,1,0]=3 381 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [1,0,0,0,0,0|1,1,1]=4 382 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [1,0,0,0,0,0|1,1,1]=4 383 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,0,0,0,0,0|0,1,0]=2 384 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,0,0,0,0,0|0,1,0]=2 385 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,0,0,0,0,0|0,1,0]=2 386 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,0,0,0,0,0|1,1,0]=3 387 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,0,0,0,0,0|1,1,0]=3 388 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,0,0,0,0,0|0,1,0]=2 389 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [1,0,0,0,0,0|1,1,1]=4 390 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [1,0,0,0,0,0|1,1,1]=4 391 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,0,0,0,0,0|0,1,2]=4 392 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,0,0,0,0,0|0,1,2]=4 393 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [1,0,0,0,0,0|2,1,0]=4 394 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [1,0,0,0,0,0|2,1,0]=4 395 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [1,0,0,0,0,0|1,1,0]=3 396 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [1,0,0,0,0,0|1,1,1]=4 397 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [1,0,0,0,0,0|1,1,1]=4 398 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [1,0,0,0,0,0|1,1,1]=4 399 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [1,0,0,0,0,0|1,1,1]=4 400 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [1,0,0,0,0,0|1,1,0]=3 401 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [1,0,0,0,0,0|1,1,0]=3 402 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [1,0,0,0,0,0|2,1,0]=4 403 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [1,0,0,0,0,0|2,1,0]=4 404 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [1,0,0,0,0,0|1,1,0]=3 405 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [1,0,0,0,0,0|1,1,0]=3 406 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [1,0,0,0,0,0|2,1,0]=4 407 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [1,0,0,0,0,0|2,1,0]=4 408 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [1,0,0,0,0,0|2,1,0]=4 409 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [1,0,0,0,0,0|2,1,0]=4 410 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [1,0,0,0,0,0|2,1,0]=4 411 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [1,0,0,0,0,0|2,1,0]=4 412 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [1,0,0,0,0,0|2,1,0]=4 413 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [1,0,0,0,0,0|2,1,0]=4 414 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [1,0,0,0,0,0|1,1,1]=4 415 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [1,0,0,0,0,0|1,1,1]=4 416 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,0,0,0,0,0|1,0,1]=3 417 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [1,0,0,0,0,0|1,1,1]=4 418 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [1,0,0,0,0,0|1,1,1]=4 419 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [1,0,0,0,0,0|2,0,0]=3 420 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [1,0,0,0,0,0|2,0,0]=3 421 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,0,0,0,0,0|2,0,0]=3 423 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [1,0,0,0,0,0|2,0,1]=4 425 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [1,0,0,0,0,0|2,0,1]=4 426 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,0,0,0,0,0|1,0,0]=2 427 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,0,0,0,0,0|1,0,0]=2 428 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,0,0,0,0,0|1,0,1]=3 429 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,0,0,0,0,0|1,0,1]=3 430 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [1,0,0,0,0,0|2,0,1]=4 431 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [1,0,0,0,0,0|1,1,1]=4 432 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [1,0,0,0,0,0|1,1,1]=4 433 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,0,0,0,0,0|1,1,0]=3 434 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,0,0,0,0,0|1,1,0]=3 435 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [1,0,0,0,0,0|2,1,0]=4 436 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [1,0,0,0,0,0|2,1,0]=4 437 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [1,0,0,0,0,0|2,1,0]=4 438 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [1,0,0,0,0,0|2,1,0]=4 439 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,0,0,0,0,0|2,0,1]=4 440 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,0,0,0,0,0|2,0,1]=4 441 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,0,0,0,0,0|2,0,1]=4 442 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,0,0,0,0,0|2,0,1]=4 443 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,0,0,0,0,0|2,0,1]=4 444 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,0,0,0,0,0|2,0,0]=3 445 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,0,0,0,0,0|1,0,0]=2 446 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,0,0,0,0,0|2,0,0]=3 447 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,0,0,0,0,0|2,0,0]=3 448 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,0,0,0,0,0|2,0,0]=3 449 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,0,0,0,0,0|1,0,0]=2 450 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,0,0,0,0,0|1,0,0]=2 451 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,0,0,0,0,0|2,0,0]=3 452 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [1,0,0,0,0,0|3,0,0]=4 453 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,0,0,0,0,0|2,0,1]=4 454 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,0,0,0,0,0|1,0,2]=4 455 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,0,0,0,0,0|3,0,0]=4 456 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,0,0,0,0,0|3,0,0]=4 457 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,0,0,0,0,0|3,0,0]=4 458 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,0,0,0,0,0|3,0,0]=4 459 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,0,0,0,0,0|3,0,0]=4 460 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,0,0,0,0,0|3,0,0]=4 461 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,0,0,0,0,0|3,0,0]=4 462 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,0,0,0,0,0|3,0,0]=4 463 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,0,0,0,0,0|3,0,0]=4 465 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,0,0,0,0,0|3,0,0]=4 466 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,0,0,0,0,0|3,0,0]=4 467 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,0,0,0,0,0|3,0,0]=4 468 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,0,0,0,0,0|3,0,0]=4 469 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,0,0,0,0,0|3,0,0]=4 470 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,0,0,0,0,0|3,0,0]=4 471 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,0,0,0,0,0|3,0,0]=4 472 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,0,0,0,0,0|2,0,1]=4 473 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,0,0,0,0,0|2,0,0]=3 474 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,0,0,0,0,0|2,0,0]=3 475 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,0,0,0,0,0|2,0,0]=3 476 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,0,0,0,0,0|2,0,0]=3 477 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,0,0,0,0,0|1,0,0]=2 478 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,0,0,0,0,0|1,0,0]=2 479 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,0,0,0,0,0|1,0,0]=2 480 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,0,0,0,0,0|1,0,0]=2 481 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,0,0,0,0,0|2,0,0]=3 482 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,0,0,0,0,0|2,0,0]=3 483 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,0,0,0,0,0|2,0,0]=3 484 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,0,0,0,0,0|2,0,0]=3 485 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,0,0,0,0,0|2,0,0]=3 486 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,0,0,0,0,0|2,0,0]=3 487 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,0,0,0,0,0|2,0,0]=3 488 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,0,0,0,0,0|2,0,0]=3 489 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,0,0,0,0,0|2,0,0]=3 490 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,0,0,0,0,0|2,0,0]=3 491 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,0,0,0,0,0|2,0,0]=3 492 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,0,0,0,0,0|2,0,0]=3 493 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,0,0,0,0,0|1,0,0]=2 494 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,0,0,0,0,0|1,0,0]=2 495 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,0,0,0,0,0|1,0,0]=2 496 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,0,0,0,0,0|2,0,0]=3 497 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,0,0,0,0,0|2,0,0]=3 498 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [1,0,0,0,0,0|3,0,0]=4 499 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,0,0,0,0,0|2,0,1]=4 500 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,0,0,0,0,0|2,0,1]=4 501 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,0,0,0,0,0|2,0,1]=4 502 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,0,0,0,0,0|2,0,1]=4 503 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,0,0,0,0,0|2,0,1]=4 504 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,0,0,0,0,0|2,0,1]=4 505 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,0,0,0,0,0|2,0,1]=4 506 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,0,0,0,0,0|2,0,1]=4 507 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,0,0,0,0,0|0,0,0]=1 508 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,0,0,0,0,0|1,0,0]=2 509 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,0,0,0,0,0|1,0,0]=2 510 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [1,0,0,0,0,0|2,0,0]=3 511 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [1,0,0,0,0,0|2,0,0]=3 512 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [1,0,0,0,0,0|2,0,0]=3 513 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [1,0,0,0,0,0|2,0,0]=3 514 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,0,0,0,0,0|2,0,1]=4 515 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,0,0,0,0,0|2,0,1]=4 516 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,0,0,0,0,0|2,0,1]=4 517 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,0,0,0,0,0|1,0,1]=3 518 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,0,0,0,0,0|2,0,1]=4 519 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,0,0,0,0,0|2,0,1]=4 520 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,0,0,0,0,0|2,0,1]=4 521 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,0,0,0,0,0|2,0,1]=4 522 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,0,0,0,0,0|1,0,1]=3 523 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [1,0,0,0,0,0|2,0,1]=4 524 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [1,0,0,0,0,0|2,0,1]=4 525 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,0,0,0,0,0|2,0,1]=4 526 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,0,0,0,0,0|2,0,1]=4 527 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,0,0,0,0,0|1,0,1]=3 528 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,0,0,0,0,0|1,0,1]=3 529 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,0,0,0,0,0|1,1,1]=4 530 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,0,0,0,0,0|1,1,1]=4 531 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,0,0,0,0,0|2,0,1]=4 532 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,0,0,0,0,0|2,0,1]=4 533 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,0,0,0,0,0|2,0,1]=4 534 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,0,0,0,0,0|2,0,0]=3 535 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,0,0,0,0,0|1,1,1]=4 536 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,0,0,0,0,0|1,1,1]=4 537 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,0,0,0,0,0|2,0,1]=4 538 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,0,0,0,0,0|2,0,1]=4 539 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,0,0,0,0,0|1,0,1]=3 540 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,0,0,0,0,0|1,0,1]=3 541 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [1,0,0,0,0,0|2,0,1]=4 542 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [1,0,0,0,0,0|2,0,1]=4 543 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,0,0,0,0,0|2,0,0]=3 544 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,0,0,0,0,0|2,0,0]=3 545 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,0,0,0,0,0|2,0,0]=3 546 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [1,0,0,0,0,0|3,0,0]=4 547 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [1,0,0,0,0,0|3,0,0]=4 548 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,0,0,0,0,0|3,0,0]=4 549 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,0,0,0,0,0|3,0,0]=4 550 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,0,0,0,0,0|3,0,0]=4 551 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,0,0,0,0,0|3,0,0]=4 552 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,0,0,0,0,0|2,0,0]=3 553 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,0,0,0,0,0|2,0,0]=3 554 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,0,0,0,0,0|2,0,0]=3 555 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,0,0,0,0,0|2,0,1]=4 556 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,0,0,0,0,0|2,0,1]=4 557 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,0,0,0,0,0|2,0,1]=4 558 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,0,0,0,0,0|2,0,1]=4 559 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [1,0,0,0,0,0|1,0,2]=4 560 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [1,0,0,0,0,0|1,0,2]=4 561 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [1,0,0,0,0,0|1,0,2]=4 562 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [1,0,0,0,0,0|1,0,2]=4 563 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [1,0,0,0,0,0|1,0,2]=4 564 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,0,0,0,0,0|1,1,0]=3 565 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,0,0,0,0,0|1,1,0]=3 566 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,0,0,0,0,0|1,1,0]=3 567 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,0,0,0,0,0|1,1,0]=3 568 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,0,0,0,0,0|2,0,1]=4 569 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [1,0,0,0,0,0|2,0,1]=4 570 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,0,0,0,0,0|1,0,1]=3 571 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [1,0,0,0,0,0|1,1,1]=4 572 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [1,0,0,0,0,0|2,0,1]=4 573 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [1,0,0,0,0,0|2,0,1]=4 574 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,0,0,0,0,0|1,0,2]=4 575 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,0,0,0,0,0|1,0,2]=4 576 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,0,0,0,0,0|1,0,2]=4 577 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,0,0,0,0,0|1,0,2]=4 578 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [1,0,0,0,0,0|2,0,1]=4 579 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [1,0,0,0,0,0|1,0,2]=4 580 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [1,0,0,0,0,0|1,0,2]=4 581 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [1,0,0,0,0,0|1,0,2]=4 582 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [1,0,0,0,0,0|1,0,2]=4 583 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [1,0,0,0,0,0|1,0,2]=4 584 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [1,0,0,0,0,0|1,0,2]=4 585 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [1,0,0,0,0,0|3,0,0]=4 586 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,0,0,0,0,0|3,0,0]=4 587 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,0,0,0,0,0|2,0,0]=3 588 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [1,0,0,0,0,0|3,0,0]=4 589 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [1,0,0,0,0,0|3,0,0]=4 590 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,0,0,0,0,0|3,0,0]=4 591 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,0,0,0,0,0|2,0,0]=3 592 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [1,0,0,0,0,0|3,0,0]=4 593 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,0,0,0,0,0|1,0,0]=2 594 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,0,0,0,0,0|1,1,0]=3 595 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [1,0,0,0,0,0|3,0,0]=4 596 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [1,0,0,0,0,0|3,0,0]=4 597 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [1,0,0,0,0,0|2,0,0]=3 598 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [1,0,0,0,0,0|2,1,0]=4 599 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [1,0,0,0,0,0|3,0,0]=4 600 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [1,0,0,0,0,0|3,0,0]=4 601 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [1,0,0,0,0,0|2,0,0]=3 602 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [1,0,0,0,0,0|2,1,0]=4 603 B11R1.83 CC=Cc1ccc(nn1)OC 271570a_100016259895_100009819040 [1,0,0,0,0,0|3,0,0]=4 604 B11R1.83 CC=Cc1cnc(cn1)OC 271570a_100016259895_100011998698 [1,0,0,0,0,0|3,0,0]=4 605 B11R1.83 CC=Cc1cnc(nc1)OC 271570a_100016259895_100000686852 [1,0,0,0,0,0|3,0,0]=4 606 B11R1.83 CC=Cc1ncc(cn1)OC 271570a_100016259895_100000069167 [1,0,0,0,0,0|3,0,0]=4 607 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [1,0,0,0,0,0|2,0,1]=4 608 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [1,0,0,0,0,0|2,0,1]=4 609 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [1,0,0,0,0,0|2,0,1]=4 610 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [1,0,0,0,0,0|2,0,1]=4 611 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,0,0,0,0,0|1,0,1]=3 612 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,0,0,0,0,0|1,0,1]=3 613 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,0,0,0,0,0|1,0,1]=3 614 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,0,0,0,0,0|1,0,1]=3 615 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [1,0,0,0,0,0|1,1,1]=4 616 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [1,0,0,0,0,0|1,1,1]=4 617 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [1,0,0,0,0,0|1,1,1]=4 618 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [1,0,0,0,0,0|1,1,1]=4 619 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [1,0,0,0,0,0|3,0,0]=4 620 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [1,0,0,0,0,0|3,0,0]=4 621 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,0,0,0,0,0|2,0,0]=3 622 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,0,0,0,0,0|2,0,0]=3 623 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,0,0,0,0,0|2,0,0]=3 624 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,0,0,0,0,0|2,0,0]=3 625 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,0,0,0,0,0|2,0,0]=3 626 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [1,0,0,0,0,0|2,1,0]=4 627 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [1,0,0,0,0,0|2,1,0]=4 628 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [1,0,0,0,0,0|2,1,0]=4 629 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,0,0,0,0,0|3,0,0]=4 630 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,0,0,0,0,0|3,0,0]=4 631 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,0,0,0,0,0|3,0,0]=4 632 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,0,0,0,0,0|3,0,0]=4 633 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,0,0,0,0,0|3,0,0]=4 634 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,0,0,0,0,0|3,0,0]=4 635 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,0,0,0,0,0|3,0,0]=4 636 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,0,0,0,0,0|2,0,0]=3 637 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,0,0,0,0,0|2,0,0]=3 638 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,0,0,0,0,0|2,0,0]=3 639 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,0,0,0,0,0|2,1,0]=4 640 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,0,0,0,0,0|2,1,0]=4 641 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,0,0,0,0,0|2,1,0]=4 642 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [1,0,0,0,0,0|3,0,0]=4 643 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [1,0,0,0,0,0|3,0,0]=4 644 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [1,0,0,0,0,0|3,0,0]=4 645 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [1,0,0,0,0,0|3,0,0]=4 646 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [1,0,0,0,0,0|3,0,0]=4 647 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [1,0,0,0,0,0|3,0,0]=4 648 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [1,0,0,0,0,0|3,0,0]=4 649 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [1,0,0,0,0,0|3,0,0]=4 650 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,0,0,0,0,0|2,0,0]=3 651 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [1,0,0,0,0,0|2,1,0]=4 652 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [1,0,0,0,0,0|2,1,0]=4 653 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [1,0,0,0,0,0|2,1,0]=4 654 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [1,0,0,0,0,0|2,1,0]=4 655 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [1,0,0,0,0,0|2,1,0]=4 656 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [1,0,0,0,0,0|2,1,0]=4 657 B11R1.83 CCSc1ccc(cn1)OC 62a_100000210202_100000744180 [1,0,0,0,0,0|3,0,0]=4 658 B11R1.83 CCSc1ccc(cn1)OC 62a_100000755202_100000210202 [1,0,0,0,0,0|3,0,0]=4 659 B11R1.83 CCSc1ccc(nc1)OC 62a_100000047065_100000210202 [1,0,0,0,0,0|3,0,0]=4 660 B11R1.83 CCSc1ccc(nc1)OC 62a_100000210202_100000047065 [1,0,0,0,0,0|3,0,0]=4 661 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [1,0,0,0,0,0|2,0,1]=4 662 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [1,0,0,0,0,0|2,0,1]=4 663 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [1,0,0,0,0,0|2,0,1]=4 664 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [1,0,0,0,0,0|2,0,1]=4 665 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [1,0,0,0,0,0|2,0,1]=4 666 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [1,0,0,0,0,0|2,0,1]=4 667 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [1,0,0,0,0,0|2,0,1]=4 668 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [1,0,0,0,0,0|2,0,1]=4 669 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [1,0,0,0,0,0|2,0,1]=4 670 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [1,0,0,0,0,0|2,0,1]=4 671 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,0,0,0,0,0|1,0,1]=3 672 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,0,0,0,0,0|1,0,1]=3 673 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,0,0,0,0,0|1,0,1]=3 674 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,0,0,0,0,0|1,0,1]=3 675 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,0,0,0,0,0|1,0,1]=3 676 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [1,0,0,0,0,0|1,1,1]=4 677 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [1,0,0,0,0,0|1,1,1]=4 678 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [1,0,0,0,0,0|1,1,1]=4 679 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [1,0,0,0,0,0|1,1,1]=4 680 B11R1.83 CCc1ccc(nc1)COC 34a_100000068455_200000210301 [1,0,0,0,0,0|2,0,1]=4 681 B11R1.83 CCc1ccc(nc1)CO[13CH3] 34a_100000068455_200025704644 [1,0,0,0,0,0|2,0,1]=4 682 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,0,0,0,0,0|1,0,1]=3 683 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,0,0,0,0,0|1,0,1]=3 684 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,0,0,0,0,0|1,0,1]=3 685 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,0,0,0,0,0|1,0,1]=3 686 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,0,0,0,0,0|1,0,1]=3 687 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,0,0,0,0,0|1,0,1]=3 688 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,0,0,0,0,0|1,0,1]=3 689 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,0,0,0,0,0|1,0,1]=3 690 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,0,0,0,0,0|1,0,1]=3 691 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [1,0,0,0,0,0|1,1,1]=4 692 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [1,0,0,0,0,0|1,1,1]=4 693 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [1,0,0,0,0,0|1,1,1]=4 694 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [1,0,0,0,0,0|1,1,1]=4 695 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [1,0,0,0,0,0|1,1,1]=4 696 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [1,0,0,0,0,0|1,1,1]=4 697 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [1,0,0,0,0,0|1,1,1]=4 698 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [1,0,0,0,0,0|1,1,1]=4 699 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [1,0,0,0,0,0|1,1,1]=4 700 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [1,0,0,0,0,0|1,1,1]=4 701 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [1,0,0,0,0,0|1,1,1]=4 702 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [1,0,0,0,0,0|1,1,1]=4 703 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [1,0,0,0,0,0|2,0,1]=4 704 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [1,0,0,0,0,0|2,0,1]=4 705 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [1,0,0,0,0,0|2,0,1]=4 706 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [1,0,0,0,0,0|2,0,1]=4 707 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [1,0,0,0,0,0|2,0,1]=4 708 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [1,0,0,0,0,0|2,0,1]=4 709 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [1,0,0,0,0,0|2,0,1]=4 710 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [1,0,0,0,0,0|2,0,1]=4 711 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [1,0,0,0,0,0|2,0,1]=4 712 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [1,0,0,0,0,0|2,0,1]=4 713 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [1,0,0,0,0,0|2,0,1]=4 714 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [1,0,0,0,0,0|2,0,1]=4 715 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [1,0,0,0,0,0|1,0,1]=3 716 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [1,0,0,0,0,0|1,1,1]=4 717 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [1,0,0,0,0,0|1,1,1]=4 718 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [1,0,0,0,0,0|1,1,1]=4 719 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [1,0,0,0,0,0|2,0,1]=4 720 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [1,0,0,0,0,0|2,0,1]=4 721 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [1,0,0,0,0,0|2,0,1]=4 722 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [1,0,0,0,0,0|2,0,1]=4 723 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [1,0,0,0,0,0|2,0,1]=4 724 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [1,0,0,0,0,0|2,0,1]=4 725 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,0,0,0,0,0|2,0,1]=4 726 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,0,0,0,0,0|2,0,1]=4 727 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [1,0,0,0,0,0|2,0,1]=4 728 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,0,0,0,0,0|2,0,1]=4 729 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [1,0,0,0,0,0|1,0,1]=3 730 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,0,0,0,0,0|0,0,1]=2 731 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,0,0,0,0,0|0,0,1]=2 732 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,0,0,0,0,0|0,0,1]=2 733 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,0,0,0,0,0|0,0,1]=2 734 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,0,0,0,0,0|0,0,1]=2 735 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,0,0,0,0,0|0,0,1]=2 736 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [1,0,0,0,0,0|0,1,1]=3 737 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [1,0,0,0,0,0|0,1,1]=3 738 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [1,0,0,0,0,0|0,1,1]=3 739 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [1,0,0,0,0,0|0,1,1]=3 740 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [1,0,0,0,0,0|0,1,1]=3 741 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [1,0,0,0,0,0|0,1,1]=3 742 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [1,0,0,0,0,0|0,1,1]=3 743 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [1,0,0,0,0,0|1,0,1]=3 744 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [1,0,0,0,0,0|1,0,1]=3 745 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [1,0,0,0,0,0|1,0,1]=3 746 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [1,0,0,0,0,0|1,0,1]=3 747 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,0,0,0,0,0|2,0,1]=4 748 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,0,0,0,0,0|2,0,1]=4 749 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,0,0,0,0,0|2,0,1]=4 750 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,0,0,0,0,0|2,0,1]=4 751 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,0,0,0,0,0|2,0,1]=4 752 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,0,0,0,0,0|2,0,1]=4 753 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,0,0,0,0,0|2,0,1]=4 754 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,0,0,0,0,0|1,0,1]=3 755 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,0,0,0,0,0|0,0,1]=2 756 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,0,0,0,0,0|0,1,1]=3 757 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,0,0,0,0,0|0,1,1]=3 758 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [1,0,0,0,0,0|3,0,0]=4 759 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,0,0,0,0,0|3,0,0]=4 760 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [1,0,0,0,0,0|3,0,0]=4 761 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [1,0,0,0,0,0|2,0,1]=4 762 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [1,0,0,0,0,0|1,0,1]=3 763 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [1,0,0,0,0,0|1,1,1]=4 764 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [1,0,0,0,0,0|1,1,1]=4 765 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [1,0,0,0,0,0|1,1,1]=4 766 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [1,0,0,0,0,0|1,1,1]=4 767 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [1,0,0,0,0,0|2,0,1]=4 768 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [1,0,0,0,0,0|1,0,1]=3 769 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [1,0,0,0,0,0|1,1,1]=4 770 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [1,0,0,0,0,0|1,1,1]=4 771 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [1,0,0,0,0,0|1,1,1]=4 772 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [1,0,0,0,0,0|1,1,1]=4 773 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [1,0,0,0,0,0|1,1,1]=4 774 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [1,0,0,0,0,0|1,1,1]=4 775 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [1,0,0,0,0,0|1,1,1]=4 776 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [1,0,0,0,0,0|0,2,1]=4 777 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [1,0,0,0,0,0|0,2,1]=4 778 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,0,0,0,0,0|2,1,0]=4 779 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,0,0,0,0,0|2,1,0]=4 780 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [1,0,0,0,0,0|1,1,1]=4 781 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [1,0,0,0,0,0|1,1,1]=4 782 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [1,0,0,0,0,0|0,1,1]=3 783 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [1,0,0,0,0,0|0,1,1]=3 784 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [1,0,0,0,0,0|0,2,1]=4 785 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [1,0,0,0,0,0|0,2,1]=4 786 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [1,0,0,0,0,0|2,0,1]=4 787 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [1,0,0,0,0,0|2,0,1]=4 788 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [1,0,0,0,0,0|2,0,1]=4 789 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [1,0,0,0,0,0|2,0,1]=4 790 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,0,0,0,0,0|2,0,1]=4 791 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,0,0,0,0,0|2,0,1]=4 792 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [1,0,0,0,0,0|2,0,1]=4 793 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,0,0,0,0,0|2,0,1]=4 794 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,0,0,0,0,0|2,0,1]=4 795 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,0,0,0,0,0|2,0,1]=4 796 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,0,0,0,0,0|2,0,1]=4 797 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,0,0,0,0,0|2,0,1]=4 798 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,0,0,0,0,0|2,0,1]=4 799 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,0,0,0,0,0|2,0,1]=4 800 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,0,0,0,0,0|2,1,0]=4 801 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,0,0,0,0,0|2,1,0]=4 802 B13R1.36 C#Cc1ccc(cc1)C(=O)C(C)C 1458a_100011217615_100000210206 [0,1,0,0,0,0|2,0,1]=4 803 B13R1.36 C#Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100011217615 [0,1,0,0,0,0|2,0,1]=4 804 B13R1.36 C#Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100011217615 [0,1,0,0,0,0|2,0,1]=4 805 B13R1.36 C#Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100011217615 [0,1,0,0,0,0|2,0,1]=4 806 B13R1.36 C#Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100011217615 [0,1,0,0,0,0|2,0,1]=4 807 B13R1.36 C=Cc1ccc(cc1)C(=O)C(C)C 1458a_100000687532_100000210206 [0,1,0,0,0,0|2,0,1]=4 808 B13R1.36 C=Cc1ccc(cc1)C(=O)C(C)C 271570a_100011290941_100011220430 [0,1,0,0,0,0|2,0,1]=4 809 B13R1.36 C=Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000687532 [0,1,0,0,0,0|2,0,1]=4 810 B13R1.36 C=Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000687532 [0,1,0,0,0,0|2,0,1]=4 811 B13R1.36 C=Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000687532 [0,1,0,0,0,0|2,0,1]=4 812 B13R1.36 C=Cc1ccc(cc1)C(=O)N(C)C 271570a_100011290941_100000159574 [0,1,0,0,0,0|2,0,1]=4 813 B13R1.36 C=Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000687532 [0,1,0,0,0,0|2,0,1]=4 814 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,1,0,0,0,0|3,0,0]=4 815 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 34a_200010205864_200025704644 [0,1,0,0,0,0|1,0,0]=2 816 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 7a_200010205864_200025704644 [0,1,0,0,0,0|1,0,0]=2 817 B13R1.36 CC(C)C(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210206 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.36 CC(C)C(=O)c1ccc(cc1)CO 1458a_100000183892_100000210206 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100011995950_200025704644 [0,1,0,0,0,0|1,0,0]=2 820 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100011995950_200025704644 [0,1,0,0,0,0|1,0,0]=2 821 B13R1.36 CC(C)C(=O)c1ccc(cc1)S[13CH3] 62a_100011220430_200025704644 [0,1,0,0,0,0|1,1,0]=3 822 B13R1.36 CC(C)C(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011220430 [0,1,0,0,0,0|1,1,0]=3 823 B13R1.36 CC(C)S(=O)c1ccc(cc1)S[13CH3] 62a_100010749287_200025704644 [0,1,0,0,0,0|2,1,0]=4 824 B13R1.36 CC(C)S(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100010749287 [0,1,0,0,0,0|2,1,0]=4 825 B13R1.36 CCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011215824 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.36 CCc1ccc(cc1)C(=O)C(C)C 1458a_100000211226_100000210206 [0,1,0,0,0,0|2,0,0]=3 827 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000211226 [0,1,0,0,0,0|2,0,0]=3 828 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000211226 [0,1,0,0,0,0|2,0,0]=3 829 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000211226 [0,1,0,0,0,0|2,0,0]=3 830 B13R1.36 CCc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000211226 [0,1,0,0,0,0|2,0,0]=3 831 B13R1.36 CN(C)C(=O)c1ccc(cc1)C#N 11a_100102631434_100000210717 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.36 CN(C)C(=O)c1ccc(cc1)C#N 1626a_100102631434_100000210717 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.36 CN(C)C(=O)c1ccc(cc1)C#N 240690a_100102631434_100000210717 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.36 CN(C)C(=O)c1ccc(cc1)C#N 527a_100102631434_100000210717 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.36 CN(C)C(=O)c1ccc(cc1)CO 1626a_100102631434_100000183892 [0,1,0,0,0,0|3,0,0]=4 836 B13R1.36 CN(C)C(=O)c1ccc(cc1)CO 240690a_100102631434_100000183892 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.36 CN(C)C(=O)c1ccc(cc1)N[13CH3] 34a_100000184784_200025704644 [0,1,0,0,0,0|2,0,0]=3 838 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100000192105_200025704644 [0,1,0,0,0,0|1,0,0]=2 839 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100000192105_200025704644 [0,1,0,0,0,0|1,0,0]=2 840 B13R1.36 CN(C)C(=O)c1ccc(cc1)S[13CH3] 62a_100000159574_200025704644 [0,1,0,0,0,0|1,1,0]=3 841 B13R1.36 CN(C)C(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000159574 [0,1,0,0,0,0|1,1,0]=3 842 B13R1.36 CN(C)C(=O)c1ccc(cn1)S[13CH3] 62a_200011781295_200025704644 [0,1,0,0,0,0|2,1,0]=4 843 B13R1.36 CN(C)C(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_200011781295 [0,1,0,0,0,0|2,1,0]=4 844 B13R1.36 CN(C)C(=O)c1ccc(nc1)S[13CH3] 62a_100000159593_200025704644 [0,1,0,0,0,0|2,1,0]=4 845 B13R1.36 CN(C)C(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159593 [0,1,0,0,0,0|2,1,0]=4 846 B13R1.36 CNc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000219623 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.36 CNc1ccc(cc1)C(=O)C(C)C 27a_100102657272_100011220430 [0,1,0,0,0,0|2,0,0]=3 848 B13R1.36 CNc1ccc(cc1)C(=O)N(C)C 27a_100102657272_100000159574 [0,1,0,0,0,0|2,0,0]=3 849 B13R1.36 CNc1ccc(cc1)C(=O)N(C)C 34a_100000184784_200000210301 [0,1,0,0,0,0|2,0,0]=3 850 B13R1.36 CNc1ccc(cn1)C(=O)N(C)C 27a_100102657272_100000159593 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.36 COc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000171711 [0,1,0,0,0,0|2,0,0]=3 852 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 34a_200010205864_200000210301 [0,1,0,0,0,0|1,0,0]=2 853 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 7a_200010205864_200000210301 [0,1,0,0,0,0|1,0,0]=2 854 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 1458a_100000184203_100000210206 [0,1,0,0,0,0|1,0,0]=2 855 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 34a_100011995950_200000210301 [0,1,0,0,0,0|1,0,0]=2 856 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 7a_100011995950_200000210301 [0,1,0,0,0,0|1,0,0]=2 857 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000184203 [0,1,0,0,0,0|1,0,0]=2 858 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000184203 [0,1,0,0,0,0|1,0,0]=2 859 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000184203 [0,1,0,0,0,0|1,0,0]=2 860 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 34a_100000192105_200000210301 [0,1,0,0,0,0|1,0,0]=2 861 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000184203 [0,1,0,0,0,0|1,0,0]=2 862 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 7a_100000192105_200000210301 [0,1,0,0,0,0|1,0,0]=2 863 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,1,0,0,0,0|2,0,1]=4 864 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,1,0,0,0,0|2,0,1]=4 865 B13R1.36 COc1ccc(cc1)C(C)N(C)C 2230a_100000736477_200000210301 [0,1,0,0,0,0|2,0,1]=4 866 B13R1.36 COc1ccc(cc1)C(C)N(C)C 269982a_100000736477_200000210301 [0,1,0,0,0,0|2,0,1]=4 867 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 2230a_100000736477_200025704644 [0,1,0,0,0,0|2,0,1]=4 868 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 269982a_100000736477_200025704644 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,1,0,0,0,0|1,0,2]=4 870 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,1,0,0,0,0|1,0,2]=4 871 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,1,0,0,0,0|3,0,0]=4 872 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,1,0,0,0,0|3,0,0]=4 873 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,1,0,0,0,0|3,0,0]=4 875 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220023_100000210206 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220024_200000210301 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220023_100000210206 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220024_200000210301 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220023_100000210206 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220024_200000210301 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 2230a_100000220024_200025704644 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 269982a_100000220024_200025704644 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 34a_100000220024_200025704644 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.36 COc1ccc(cn1)C(=C(C)C)C 271570a_200000049429_100000047065 [0,1,0,0,0,0|3,0,0]=4 886 B13R1.36 COc1ccc(nc1)C(=C(C)C)C 271570a_200000049429_100000755202 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.36 CSc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011263217 [0,1,0,0,0,0|2,1,0]=4 888 B13R1.36 CSc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200000210301 [0,1,0,0,0,0|2,1,0]=4 889 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 1458a_100000189692_100000210206 [0,1,0,0,0,0|1,1,0]=3 890 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 62a_100011220430_200000210301 [0,1,0,0,0,0|1,1,0]=3 891 B13R1.36 CSc1ccc(cc1)C(=O)C(C)C 62a_200000210301_100011220430 [0,1,0,0,0,0|1,1,0]=3 892 B13R1.36 CSc1ccc(cc1)C(=O)C(O)O 62a_200000210301_200009815832 [0,1,0,0,0,0|2,1,0]=4 893 B13R1.36 CSc1ccc(cc1)C(=O)C(O)O 62a_200009815832_200000210301 [0,1,0,0,0,0|2,1,0]=4 894 B13R1.36 CSc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000189692 [0,1,0,0,0,0|1,1,0]=3 895 B13R1.36 CSc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000189692 [0,1,0,0,0,0|1,1,0]=3 896 B13R1.36 CSc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000189692 [0,1,0,0,0,0|1,1,0]=3 897 B13R1.36 CSc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000189692 [0,1,0,0,0,0|1,1,0]=3 898 B13R1.36 CSc1ccc(cc1)C(=O)N(C)C 62a_100000159574_200000210301 [0,1,0,0,0,0|1,1,0]=3 899 B13R1.36 CSc1ccc(cc1)C(=O)N(C)C 62a_200000210301_100000159574 [0,1,0,0,0,0|1,1,0]=3 900 B13R1.36 CSc1ccc(cc1)S(=O)C(C)C 62a_100010749287_200000210301 [0,1,0,0,0,0|2,1,0]=4 901 B13R1.36 CSc1ccc(cc1)S(=O)C(C)C 62a_200000210301_100010749287 [0,1,0,0,0,0|2,1,0]=4 902 B13R1.36 CSc1ccc(cn1)C(=O)N(C)C 62a_100000159593_200000210301 [0,1,0,0,0,0|2,1,0]=4 903 B13R1.36 CSc1ccc(cn1)C(=O)N(C)C 62a_200000210301_100000159593 [0,1,0,0,0,0|2,1,0]=4 904 B13R1.36 CSc1ccc(nc1)C(=O)N(C)C 62a_200000210301_200011781295 [0,1,0,0,0,0|2,1,0]=4 905 B13R1.36 CSc1ccc(nc1)C(=O)N(C)C 62a_200011781295_200000210301 [0,1,0,0,0,0|2,1,0]=4 906 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200025704644 [0,1,0,0,0,0|2,1,0]=4 907 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(O)O 62a_200009815832_200025704644 [0,1,0,0,0,0|2,1,0]=4 908 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(O)O 62a_200025704644_200009815832 [0,1,0,0,0,0|2,1,0]=4 909 B13R1.39 CCC(=NO)c1ccc(cc1)OC 34a_100000740173_200000210301 [0,1,0,0,0,0|1,0,1]=3 910 B13R1.39 CCC(=NO)c1ccc(cc1)O[13CH3] 34a_100000740173_200025704644 [0,1,0,0,0,0|1,0,1]=3 911 B13R1.39 CCC(NC)c1ccc(cc1)OC 2230a_100000195527_200000210301 [0,1,0,0,0,0|2,0,1]=4 912 B13R1.39 CCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000170455 [0,1,0,0,0,0|2,0,1]=4 913 B13R1.39 CCC(NC)c1ccc(cc1)OC 34a_100000195527_200000210301 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 2230a_100000195527_200025704644 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 34a_100000195527_200025704644 [0,1,0,0,0,0|2,0,1]=4 916 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,1,0,0,0,0|1,0,1]=3 917 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,1,0,0,0,0|1,0,1]=3 918 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,1,0,0,0,0|1,0,1]=3 919 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,1,0,0,0,0|1,0,1]=3 920 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,1,0,0,0,0|1,0,2]=4 921 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,1,0,0,0,0|1,0,2]=4 922 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_100009813454_200000210301 [0,1,0,0,0,0|0,1,2]=4 923 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_200000210301_100009813454 [0,1,0,0,0,0|0,1,2]=4 924 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_100009813454_200025704644 [0,1,0,0,0,0|0,1,2]=4 925 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813454 [0,1,0,0,0,0|0,1,2]=4 926 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,1,0,0,0,0|1,0,1]=3 927 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,1,0,0,0,0|1,0,1]=3 928 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,1,0,0,0,0|1,0,1]=3 929 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,1,0,0,0,0|1,0,1]=3 930 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,1,0,0,0,0|1,0,1]=3 931 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,1,0,0,0,0|1,0,1]=3 932 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,1,0,0,0,0|1,0,2]=4 933 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,1,0,0,0,0|1,0,2]=4 934 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)CC 1458a_100103168756_100000210202 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 11a_106832991635_100103168756 [0,1,0,0,0,0|2,0,1]=4 936 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 1626a_100102657272_100103168756 [0,1,0,0,0,0|2,0,1]=4 937 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 240690a_100102657272_100103168756 [0,1,0,0,0,0|2,0,1]=4 938 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 527a_100102657272_100103168756 [0,1,0,0,0,0|2,0,1]=4 939 B13R1.95 C=Cc1cc(c(cn1)C(=O)OC)C 271570a_100011290941_100009871181 [0,1,0,0,0,0|2,0,1]=4 940 B13R1.95 C=Cc1cc(c(cn1)C(=O)OC)N 271570a_100011290941_100009862510 [0,1,0,0,0,0|2,0,1]=4 941 B13R1.95 C=Cc1ccc([n+](c1)[O-])C(=O)OC 271570a_100011290941_100015641791 [0,1,0,0,0,0|2,0,1]=4 942 B13R1.95 C=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100011290941_100010247156 [0,1,0,0,0,0|1,0,1]=3 943 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)CC 271570a_100011290941_200012361375 [0,1,0,0,0,0|2,0,1]=4 944 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)OC 271570a_100011290941_100000747612 [0,1,0,0,0,0|1,0,1]=3 945 B13R1.95 C=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100011290941_100000060724 [0,1,0,0,0,0|1,0,1]=3 946 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)CC 271570a_100011290941_100012360378 [0,1,0,0,0,0|2,0,1]=4 947 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)NC 271570a_100011290941_100000233932 [0,1,0,0,0,0|2,0,1]=4 948 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)OC 271570a_100011290941_100000216654 [0,1,0,0,0,0|1,0,1]=3 949 B13R1.95 C=Cc1ccc(c(c1)N)C(=O)OC 271570a_100011290941_100011373473 [0,1,0,0,0,0|1,0,1]=3 950 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,1,0,0,0,0|1,0,1]=3 951 B13R1.95 C=Cc1ccc(c(n1)C)C(=O)OC 271570a_100011290941_100000692007 [0,1,0,0,0,0|2,0,1]=4 952 B13R1.95 C=Cc1ccc(c(n1)F)C(=O)OC 271570a_100011290941_100010189635 [0,1,0,0,0,0|2,0,1]=4 953 B13R1.95 C=Cc1ccc(c(n1)N)C(=O)OC 271570a_100011290941_100000142702 [0,1,0,0,0,0|2,0,1]=4 954 B13R1.95 C=Cc1ccc(c(n1)O)C(=O)OC 271570a_100011290941_100015962272 [0,1,0,0,0,0|2,0,1]=4 955 B13R1.95 C=Cc1cnc(c(c1)C)C(=O)OC 271570a_100011290941_100010178714 [0,1,0,0,0,0|2,0,1]=4 956 B13R1.95 C=Cc1cnc(c(c1)F)C(=O)OC 271570a_100011290941_100000695675 [0,1,0,0,0,0|2,0,1]=4 957 B13R1.95 C=Cc1cnc(c(c1)N)C(=O)OC 271570a_100011290941_100010090751 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.95 C=Cc1cnc(c(c1)O)C(=O)OC 271570a_100011290941_100010071521 [0,1,0,0,0,0|2,0,1]=4 959 B13R1.95 CCC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_100000210202 [0,1,0,0,0,0|3,0,0]=4 960 B13R1.95 CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210202 [0,1,0,0,0,0|1,0,0]=2 961 B13R1.95 CCC(=O)c1ccc(cc1C)C#N 1458a_100000691869_100000210202 [0,1,0,0,0,0|3,0,0]=4 962 B13R1.95 CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210202 [0,1,0,0,0,0|1,0,0]=2 963 B13R1.95 CCC(=O)c1ccc(cc1C)SC 1458a_100012278374_100000210202 [0,1,0,0,0,0|1,1,0]=3 964 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200000210301_200012361375 [0,1,0,0,0,0|1,1,0]=3 965 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200012361375_200000210301 [0,1,0,0,0,0|1,1,0]=3 966 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200012361375_200025704644 [0,1,0,0,0,0|1,1,0]=3 967 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_200012361375 [0,1,0,0,0,0|1,1,0]=3 968 B13R1.95 CCC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_100000210202 [0,1,0,0,0,0|3,0,0]=4 969 B13R1.95 CCC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_100000210202 [0,1,0,0,0,0|3,0,0]=4 970 B13R1.95 CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210202 [0,1,0,0,0,0|1,0,0]=2 971 B13R1.95 CCC(=O)c1ccc(cc1F)C#N 1458a_100000238375_100000210202 [0,1,0,0,0,0|3,0,0]=4 972 B13R1.95 CCC(=O)c1ccc(cc1F)CC 1458a_200009867912_100000210202 [0,1,0,0,0,0|2,0,0]=3 973 B13R1.95 CCC(=O)c1ccc(cc1F)CO 1458a_100011934814_100000210202 [0,1,0,0,0,0|3,0,0]=4 974 B13R1.95 CCC(=O)c1ccc(cc1F)NC 27a_100102657272_100012360378 [0,1,0,0,0,0|2,0,0]=3 975 B13R1.95 CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210202 [0,1,0,0,0,0|1,0,0]=2 976 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_100012360378_200000210301 [0,1,0,0,0,0|1,1,0]=3 977 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_200000210301_100012360378 [0,1,0,0,0,0|1,1,0]=3 978 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_100012360378_200025704644 [0,1,0,0,0,0|1,1,0]=3 979 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100012360378 [0,1,0,0,0,0|1,1,0]=3 980 B13R1.95 CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210202 [0,1,0,0,0,0|1,0,0]=2 981 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [0,1,0,0,0,0|1,0,0]=2 982 B13R1.95 CCN(C)c1ccc(cc1C)OC 2230a_103496583619_100000210202 [0,1,0,0,0,0|3,0,0]=4 983 B13R1.95 CCN(C)c1ccc(cc1C)OC 269982a_103496583619_100000204670 [0,1,0,0,0,0|3,0,0]=4 984 B13R1.95 CCN(C)c1ccc(cc1C)OC 34a_103496583619_100000210202 [0,1,0,0,0,0|3,0,0]=4 985 B13R1.95 CCN(C)c1ccc(cc1C)OC 38a_103496583619_100000204670 [0,1,0,0,0,0|3,0,0]=4 986 B13R1.95 CCc1ccc(c(c1)F)C(=O)CF 1458a_200009867912_100015361967 [0,1,0,0,0,0|3,0,0]=4 987 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 11a_106832991635_200009867912 [0,1,0,0,0,0|2,0,0]=3 988 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 1626a_100102657272_200009867912 [0,1,0,0,0,0|2,0,0]=3 989 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 240690a_100102657272_200009867912 [0,1,0,0,0,0|2,0,0]=3 990 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 527a_100102657272_200009867912 [0,1,0,0,0,0|2,0,0]=3 991 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 11a_106832991635_100010244945 [0,1,0,0,0,0|3,0,0]=4 992 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 1626a_100102657272_100010244945 [0,1,0,0,0,0|3,0,0]=4 993 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 240690a_100102657272_100010244945 [0,1,0,0,0,0|3,0,0]=4 994 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 527a_100102657272_100010244945 [0,1,0,0,0,0|3,0,0]=4 995 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 11a_106832991635_100000748873 [0,1,0,0,0,0|1,0,0]=2 996 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 1626a_100102657272_100000748873 [0,1,0,0,0,0|1,0,0]=2 997 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 240690a_100102657272_100000748873 [0,1,0,0,0,0|1,0,0]=2 998 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 527a_100102657272_100000748873 [0,1,0,0,0,0|1,0,0]=2 999 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 11a_106832991635_100000691869 [0,1,0,0,0,0|3,0,0]=4 1000 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 1626a_100102657272_100000691869 [0,1,0,0,0,0|3,0,0]=4 1001 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 240690a_100102657272_100000691869 [0,1,0,0,0,0|3,0,0]=4 1002 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 527a_100102657272_100000691869 [0,1,0,0,0,0|3,0,0]=4 1003 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [0,1,0,0,0,0|1,0,0]=2 1004 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [0,1,0,0,0,0|1,0,0]=2 1005 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [0,1,0,0,0,0|1,0,0]=2 1006 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [0,1,0,0,0,0|1,0,0]=2 1007 B13R1.95 CNC(=O)c1ccc(cc1C)SC 11a_106832991635_100012278374 [0,1,0,0,0,0|1,1,0]=3 1008 B13R1.95 CNC(=O)c1ccc(cc1C)SC 1626a_100102657272_100012278374 [0,1,0,0,0,0|1,1,0]=3 1009 B13R1.95 CNC(=O)c1ccc(cc1C)SC 240690a_100102657272_100012278374 [0,1,0,0,0,0|1,1,0]=3 1010 B13R1.95 CNC(=O)c1ccc(cc1C)SC 527a_100102657272_100012278374 [0,1,0,0,0,0|1,1,0]=3 1011 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 11a_106832991635_100000100588 [0,1,0,0,0,0|3,0,0]=4 1012 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 1626a_100102657272_100000100588 [0,1,0,0,0,0|3,0,0]=4 1013 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 240690a_100102657272_100000100588 [0,1,0,0,0,0|3,0,0]=4 1014 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 527a_100102657272_100000100588 [0,1,0,0,0,0|3,0,0]=4 1015 B13R1.95 CNC(=O)c1ccc(cc1Cl)CO 240690a_100102657272_100015659073 [0,1,0,0,0,0|3,0,0]=4 1016 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 34a_100000742945_200000210301 [0,1,0,0,0,0|2,0,0]=3 1017 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 7a_100000742945_200000210301 [0,1,0,0,0,0|2,0,0]=3 1018 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000742945_200025704644 [0,1,0,0,0,0|2,0,0]=3 1019 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000742945_200025704644 [0,1,0,0,0,0|2,0,0]=3 1020 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 11a_106832991635_100000753557 [0,1,0,0,0,0|1,0,0]=2 1021 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 1626a_100102657272_100000753557 [0,1,0,0,0,0|1,0,0]=2 1022 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 240690a_100102657272_100000753557 [0,1,0,0,0,0|1,0,0]=2 1023 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 527a_100102657272_100000753557 [0,1,0,0,0,0|1,0,0]=2 1024 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 11a_106832991635_100000238375 [0,1,0,0,0,0|3,0,0]=4 1025 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 1626a_100102657272_100000238375 [0,1,0,0,0,0|3,0,0]=4 1026 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 240690a_100102657272_100000238375 [0,1,0,0,0,0|3,0,0]=4 1027 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 527a_100102657272_100000238375 [0,1,0,0,0,0|3,0,0]=4 1028 B13R1.95 CNC(=O)c1ccc(cc1F)CO 240690a_100102657272_100011934814 [0,1,0,0,0,0|3,0,0]=4 1029 B13R1.95 CNC(=O)c1ccc(cc1F)NC 27a_100102657272_100000233932 [0,1,0,0,0,0|2,0,0]=3 1030 B13R1.95 CNC(=O)c1ccc(cc1F)NC 34a_100011533607_200000210301 [0,1,0,0,0,0|2,0,0]=3 1031 B13R1.95 CNC(=O)c1ccc(cc1F)NC 7a_100011533607_200000210301 [0,1,0,0,0,0|2,0,0]=3 1032 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 34a_100011533607_200025704644 [0,1,0,0,0,0|2,0,0]=3 1033 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 7a_100011533607_200025704644 [0,1,0,0,0,0|2,0,0]=3 1034 B13R1.95 CNC(=O)c1ccc(cc1F)OC 11a_106832991635_100000198494 [0,1,0,0,0,0|1,0,0]=2 1035 B13R1.95 CNC(=O)c1ccc(cc1F)OC 1626a_100102657272_100000198494 [0,1,0,0,0,0|1,0,0]=2 1036 B13R1.95 CNC(=O)c1ccc(cc1F)OC 240690a_100102657272_100000198494 [0,1,0,0,0,0|1,0,0]=2 1037 B13R1.95 CNC(=O)c1ccc(cc1F)OC 527a_100102657272_100000198494 [0,1,0,0,0,0|1,0,0]=2 1038 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_100000233932_200000210301 [0,1,0,0,0,0|1,1,0]=3 1039 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_200000210301_100000233932 [0,1,0,0,0,0|1,1,0]=3 1040 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_100000233932_200025704644 [0,1,0,0,0,0|1,1,0]=3 1041 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000233932 [0,1,0,0,0,0|1,1,0]=3 1042 B13R1.95 CNC(=O)c1ccc(cc1I)OC 11a_106832991635_100000688016 [0,1,0,0,0,0|1,0,0]=2 1043 B13R1.95 CNC(=O)c1ccc(cc1I)OC 1626a_100102657272_100000688016 [0,1,0,0,0,0|1,0,0]=2 1044 B13R1.95 CNC(=O)c1ccc(cc1I)OC 240690a_100102657272_100000688016 [0,1,0,0,0,0|1,0,0]=2 1045 B13R1.95 CNC(=O)c1ccc(cc1I)OC 527a_100102657272_100000688016 [0,1,0,0,0,0|1,0,0]=2 1046 B13R1.95 CNC(=O)c1ccc(cc1O)NC 34a_100000223174_200000210301 [0,1,0,0,0,0|2,0,0]=3 1047 B13R1.95 CNC(=O)c1ccc(cc1O)N[13CH3] 34a_100000223174_200025704644 [0,1,0,0,0,0|2,0,0]=3 1048 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [0,1,0,0,0,0|1,0,0]=2 1049 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [0,1,0,0,0,0|1,0,0]=2 1050 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [0,1,0,0,0,0|1,0,0]=2 1051 B13R1.95 CNC(C)c1ccc(cc1Br)OC 269862a_106832991636_100000697255 [0,1,0,0,0,0|2,0,1]=4 1052 B13R1.95 CNC(C)c1ccc(cc1C)OC 269862a_106832991636_100000767045 [0,1,0,0,0,0|2,0,1]=4 1053 B13R1.95 CNC(C)c1ccc(cc1Cl)OC 269862a_106832991636_100011316561 [0,1,0,0,0,0|2,0,1]=4 1054 B13R1.95 CNC(C)c1ccc(cc1F)OC 269862a_106832991636_100000211433 [0,1,0,0,0,0|2,0,1]=4 1055 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,1,0,0,0,0|2,0,1]=4 1056 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 2230a_100132314089_200000210301 [0,1,0,0,0,0|2,0,1]=4 1057 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 34a_100132314089_200000210301 [0,1,0,0,0,0|2,0,1]=4 1058 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 2230a_100016991463_200000210301 [0,1,0,0,0,0|2,0,1]=4 1059 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 34a_100016991463_200000210301 [0,1,0,0,0,0|2,0,1]=4 1060 B13R1.95 CNc1cc(c(cn1)C(=O)OC)C 27a_100102657272_100009871181 [0,1,0,0,0,0|2,0,0]=3 1061 B13R1.95 CNc1ccc(c(n1)C)C(=O)OC 27a_100102657272_100000692007 [0,1,0,0,0,0|2,0,0]=3 1062 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,1,0,0,0,0|0,0,0]=1 1063 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,1,0,0,0,0|0,0,0]=1 1064 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,1,0,0,0,0|0,0,0]=1 1065 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,1,0,0,0,0|0,0,0]=1 1066 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [0,1,0,0,0,0|0,1,0]=2 1067 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [0,1,0,0,0,0|0,1,0]=2 1068 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [0,1,0,0,0,0|0,1,0]=2 1069 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [0,1,0,0,0,0|0,1,0]=2 1070 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,1,0,0,0,0|0,0,0]=1 1071 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,1,0,0,0,0|0,0,0]=1 1072 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,1,0,0,0,0|0,0,0]=1 1073 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,1,0,0,0,0|0,0,0]=1 1074 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [0,1,0,0,0,0|0,1,0]=2 1075 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [0,1,0,0,0,0|0,1,0]=2 1076 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [0,1,0,0,0,0|0,1,0]=2 1077 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [0,1,0,0,0,0|0,1,0]=2 1078 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,1,0,0,0,0|0,0,0]=1 1079 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,1,0,0,0,0|0,0,0]=1 1080 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,1,0,0,0,0|0,0,0]=1 1081 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,1,0,0,0,0|0,0,0]=1 1082 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [0,1,0,0,0,0|0,1,0]=2 1083 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [0,1,0,0,0,0|0,1,0]=2 1084 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [0,1,0,0,0,0|0,1,0]=2 1085 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [0,1,0,0,0,0|0,1,0]=2 1086 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,1,0,0,0,0|0,0,0]=1 1087 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,1,0,0,0,0|0,0,0]=1 1088 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,1,0,0,0,0|0,0,0]=1 1089 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,1,0,0,0,0|0,0,0]=1 1090 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [0,1,0,0,0,0|0,1,0]=2 1091 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [0,1,0,0,0,0|0,1,0]=2 1092 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [0,1,0,0,0,0|0,1,0]=2 1093 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [0,1,0,0,0,0|0,1,0]=2 1094 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,1,0,0,0,0|0,0,0]=1 1095 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,1,0,0,0,0|0,0,0]=1 1096 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,1,0,0,0,0|0,0,0]=1 1097 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,1,0,0,0,0|0,0,0]=1 1098 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [0,1,0,0,0,0|0,1,0]=2 1099 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [0,1,0,0,0,0|0,1,0]=2 1100 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,1,0,0,0,0|2,0,0]=3 1101 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,1,0,0,0,0|2,0,0]=3 1102 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,1,0,0,0,0|0,0,0]=1 1103 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,1,0,0,0,0|0,1,0]=2 1104 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,1,0,0,0,0|0,1,0]=2 1105 B13R1.95 COC(=O)c1ccc(nc1C)SC 62a_100000692007_200000210301 [0,1,0,0,0,0|1,1,0]=3 1106 B13R1.95 COC(=O)c1ccc(nc1C)SC 62a_200000210301_100000692007 [0,1,0,0,0,0|1,1,0]=3 1107 B13R1.95 COC(=O)c1ccc(nc1C)S[13CH3] 62a_100000692007_200025704644 [0,1,0,0,0,0|1,1,0]=3 1108 B13R1.95 COC(=O)c1ccc(nc1C)S[13CH3] 62a_200025704644_100000692007 [0,1,0,0,0,0|1,1,0]=3 1109 B13R1.95 COC(=O)c1ccc(nc1F)SC 62a_100010189635_200000210301 [0,1,0,0,0,0|1,1,0]=3 1110 B13R1.95 COC(=O)c1ccc(nc1F)SC 62a_200000210301_100010189635 [0,1,0,0,0,0|1,1,0]=3 1111 B13R1.95 COC(=O)c1ccc(nc1F)S[13CH3] 62a_100010189635_200025704644 [0,1,0,0,0,0|1,1,0]=3 1112 B13R1.95 COC(=O)c1ccc(nc1F)S[13CH3] 62a_200025704644_100010189635 [0,1,0,0,0,0|1,1,0]=3 1113 B13R1.95 COC(=O)c1ccc(nc1N)SC 62a_100000142702_200000210301 [0,1,0,0,0,0|1,1,0]=3 1114 B13R1.95 COC(=O)c1ccc(nc1N)S[13CH3] 62a_100000142702_200025704644 [0,1,0,0,0,0|1,1,0]=3 1115 B13R1.95 COC(=O)c1ccc(nc1O)C=O 271570a_203496583355_200009848447 [0,1,0,0,0,0|3,0,0]=4 1116 B13R1.95 COC(=O)c1ccc(nc1O)OC 271570a_203496583355_100010136187 [0,1,0,0,0,0|1,0,0]=2 1117 B13R1.95 COC(=O)c1cnc(cc1C)SC 62a_100009871181_200000210301 [0,1,0,0,0,0|1,1,0]=3 1118 B13R1.95 COC(=O)c1cnc(cc1C)SC 62a_200000210301_100009871181 [0,1,0,0,0,0|1,1,0]=3 1119 B13R1.95 COC(=O)c1cnc(cc1C)S[13CH3] 62a_100009871181_200025704644 [0,1,0,0,0,0|1,1,0]=3 1120 B13R1.95 COC(=O)c1cnc(cc1C)S[13CH3] 62a_200025704644_100009871181 [0,1,0,0,0,0|1,1,0]=3 1121 B13R1.95 COC(=O)c1cnc(cc1N)SC 62a_100009862510_200000210301 [0,1,0,0,0,0|1,1,0]=3 1122 B13R1.95 COC(=O)c1cnc(cc1N)SC 62a_200000210301_100009862510 [0,1,0,0,0,0|1,1,0]=3 1123 B13R1.95 COC(=O)c1cnc(cc1N)S[13CH3] 62a_100009862510_200025704644 [0,1,0,0,0,0|1,1,0]=3 1124 B13R1.95 COC(=O)c1cnc(cc1N)S[13CH3] 62a_200025704644_100009862510 [0,1,0,0,0,0|1,1,0]=3 1125 B13R1.95 COC(=O)c1cnc(cc1O)OC 271570a_203496583355_100010136350 [0,1,0,0,0,0|1,0,0]=2 1126 B13R1.95 COC(=O)c1cnc(nc1N)SC 62a_200000210301_200009866963 [0,1,0,0,0,0|2,1,0]=4 1127 B13R1.95 COC(=O)c1cnc(nc1N)SC 62a_200009866963_200000210301 [0,1,0,0,0,0|2,1,0]=4 1128 B13R1.95 COC(=O)c1cnc(nc1N)S[13CH3] 62a_200009866963_200025704644 [0,1,0,0,0,0|2,1,0]=4 1129 B13R1.95 COC(=O)c1cnc(nc1N)S[13CH3] 62a_200025704644_200009866963 [0,1,0,0,0,0|2,1,0]=4 1130 B13R1.95 COC(=O)c1ncc(cc1C)SC 62a_100010178714_200000210301 [0,1,0,0,0,0|1,1,0]=3 1131 B13R1.95 COC(=O)c1ncc(cc1C)SC 62a_200000210301_100010178714 [0,1,0,0,0,0|1,1,0]=3 1132 B13R1.95 COC(=O)c1ncc(cc1C)S[13CH3] 62a_100010178714_200025704644 [0,1,0,0,0,0|1,1,0]=3 1133 B13R1.95 COC(=O)c1ncc(cc1C)S[13CH3] 62a_200025704644_100010178714 [0,1,0,0,0,0|1,1,0]=3 1134 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 34a_100009855505_200000210301 [0,1,0,0,0,0|1,0,0]=2 1135 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 7a_100009855505_200000210301 [0,1,0,0,0,0|1,0,0]=2 1136 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 34a_100009855505_200025704644 [0,1,0,0,0,0|1,0,0]=2 1137 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 7a_100009855505_200025704644 [0,1,0,0,0,0|1,0,0]=2 1138 B13R1.95 COC(=O)c1ncc(cc1F)SC 62a_100000695675_200000210301 [0,1,0,0,0,0|1,1,0]=3 1139 B13R1.95 COC(=O)c1ncc(cc1F)SC 62a_200000210301_100000695675 [0,1,0,0,0,0|1,1,0]=3 1140 B13R1.95 COC(=O)c1ncc(cc1F)S[13CH3] 62a_100000695675_200025704644 [0,1,0,0,0,0|1,1,0]=3 1141 B13R1.95 COC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000695675 [0,1,0,0,0,0|1,1,0]=3 1142 B13R1.95 COC(=O)c1ncc(cc1N)SC 62a_100010090751_200000210301 [0,1,0,0,0,0|1,1,0]=3 1143 B13R1.95 COC(=O)c1ncc(cc1N)SC 62a_200000210301_100010090751 [0,1,0,0,0,0|1,1,0]=3 1144 B13R1.95 COC(=O)c1ncc(cc1N)S[13CH3] 62a_100010090751_200025704644 [0,1,0,0,0,0|1,1,0]=3 1145 B13R1.95 COC(=O)c1ncc(cc1N)S[13CH3] 62a_200025704644_100010090751 [0,1,0,0,0,0|1,1,0]=3 1146 B13R1.95 COC(=O)c1ncc(cc1O)SC 62a_200000210301_100010071521 [0,1,0,0,0,0|1,1,0]=3 1147 B13R1.95 COC(=O)c1ncc(cc1O)S[13CH3] 62a_200025704644_100010071521 [0,1,0,0,0,0|1,1,0]=3 1148 B13R1.95 COc1ccc(c(c1)Br)C(=O)CF 1458a_100000748873_100015361967 [0,1,0,0,0,0|2,0,0]=3 1149 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,1,0,0,0,0|1,0,1]=3 1150 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,1,0,0,0,0|1,0,1]=3 1151 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,1,0,0,0,0|1,0,1]=3 1152 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,1,0,0,0,0|1,0,1]=3 1153 B13R1.95 COc1ccc(c(c1)C)C(=O)CF 1458a_100000763155_100015361967 [0,1,0,0,0,0|2,0,0]=3 1154 B13R1.95 COc1ccc(c(c1)Cl)C(=O)CF 1458a_100000753557_100015361967 [0,1,0,0,0,0|2,0,0]=3 1155 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 2230a_100132314089_200025704644 [0,1,0,0,0,0|2,0,1]=4 1156 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 34a_100132314089_200025704644 [0,1,0,0,0,0|2,0,1]=4 1157 B13R1.95 COc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200000210301 [0,1,0,0,0,0|3,0,0]=4 1158 B13R1.95 COc1ccc(c(c1)F)C(=O)CF 1458a_100000198494_100015361967 [0,1,0,0,0,0|2,0,0]=3 1159 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 2230a_100016991463_200025704644 [0,1,0,0,0,0|2,0,1]=4 1160 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 34a_100016991463_200025704644 [0,1,0,0,0,0|2,0,1]=4 1161 B13R1.95 COc1ccc(c(c1)I)C(=O)CF 1458a_100000688016_100015361967 [0,1,0,0,0,0|2,0,0]=3 1162 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [0,1,0,0,0,0|2,0,0]=3 1163 B13R1.95 CSc1ccc(c(c1)C)C(=O)CF 1458a_100012278374_100015361967 [0,1,0,0,0,0|2,1,0]=4 1164 B13R1.95 [13CH3]Oc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200025704644 [0,1,0,0,0,0|3,0,0]=4 1165 B13R1.139 C=C=Cc1ccc(cc1)C(=O)CC 271570a_100015277604_100000211647 [0,1,0,0,0,0|2,0,1]=4 1166 B13R1.139 C=C=Cc1ccc(cc1)C(=O)NC 271570a_100015277604_100000155074 [0,1,0,0,0,0|2,0,1]=4 1167 B13R1.139 C=C=Cc1ccc(cc1)C(=O)OC 271570a_100015277604_100000150774 [0,1,0,0,0,0|1,0,1]=3 1168 B13R1.139 C=C=Cc1ccc(cn1)C(=O)OC 271570a_100015277604_100000733799 [0,1,0,0,0,0|2,0,1]=4 1169 B13R1.139 C=C=Cc1ccc(nc1)C(=O)OC 271570a_100015277604_100000690920 [0,1,0,0,0,0|2,0,1]=4 1170 B13R1.139 CC#Cc1ccc(cc1)C(=O)CC 1458a_100009923575_100000210202 [0,1,0,0,0,0|2,0,0]=3 1171 B13R1.139 CC#Cc1ccc(cc1)C(=O)CF 1458a_100009923575_100015361967 [0,1,0,0,0,0|3,0,0]=4 1172 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100009923575 [0,1,0,0,0,0|2,0,0]=3 1173 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100009923575 [0,1,0,0,0,0|2,0,0]=3 1174 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100009923575 [0,1,0,0,0,0|2,0,0]=3 1175 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100009923575 [0,1,0,0,0,0|2,0,0]=3 1176 B13R1.139 CC(=NO)c1ccc(cc1)OCF 34a_100000164205_100015361967 [0,1,0,0,0,0|3,0,0]=4 1177 B13R1.139 CC=Cc1ccc(cc1)C(=O)C#N 271570a_100016259895_100009994572 [0,1,0,0,0,0|3,0,0]=4 1178 B13R1.139 CC=Cc1ccc(cc1)C(=O)C=O 271570a_100016259895_100000725942 [0,1,0,0,0,0|3,0,0]=4 1179 B13R1.139 CC=Cc1ccc(cc1)C(=O)CC 271570a_100016259895_100000211647 [0,1,0,0,0,0|2,0,0]=3 1180 B13R1.139 CC=Cc1ccc(cc1)C(=O)CN 271570a_100016259895_100000017248 [0,1,0,0,0,0|3,0,0]=4 1181 B13R1.139 CC=Cc1ccc(cc1)C(=O)CO 271570a_100016259895_100011219529 [0,1,0,0,0,0|3,0,0]=4 1182 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC 271570a_100016259895_100000155074 [0,1,0,0,0,0|2,0,0]=3 1183 B13R1.139 CC=Cc1ccc(cc1)C(=O)NN 271570a_100016259895_100000183614 [0,1,0,0,0,0|3,0,0]=4 1184 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,1,0,0,0,0|1,0,0]=2 1185 B13R1.139 CC=Cc1ccc(cc1)C(C)OC 271570a_100016259895_100010254937 [0,1,0,0,0,0|2,0,1]=4 1186 B13R1.139 CC=Cc1ccc(cn1)C(=O)NC 271570a_100016259895_100000159860 [0,1,0,0,0,0|3,0,0]=4 1187 B13R1.139 CC=Cc1ccc(cn1)C(=O)OC 271570a_100016259895_100000733799 [0,1,0,0,0,0|2,0,0]=3 1188 B13R1.139 CC=Cc1ccc(nc1)C(=O)CC 271570a_100016259895_100012351654 [0,1,0,0,0,0|3,0,0]=4 1189 B13R1.139 CC=Cc1ccc(nc1)C(=O)NC 271570a_100016259895_100011781262 [0,1,0,0,0,0|3,0,0]=4 1190 B13R1.139 CC=Cc1ccc(nc1)C(=O)OC 271570a_100016259895_100000690920 [0,1,0,0,0,0|2,0,0]=3 1191 B13R1.139 CC=Cc1ccc(nn1)C(=O)OC 271570a_100016259895_100009816182 [0,1,0,0,0,0|3,0,0]=4 1192 B13R1.139 CC=Cc1cnc(cn1)C(=O)OC 271570a_100016259895_100010219404 [0,1,0,0,0,0|3,0,0]=4 1193 B13R1.139 CC=Cc1cnc(nc1)C(=O)OC 271570a_100016259895_100000690087 [0,1,0,0,0,0|3,0,0]=4 1194 B13R1.139 CC=Cc1ncc(cn1)C(=O)OC 271570a_100016259895_100000729365 [0,1,0,0,0,0|3,0,0]=4 1195 B13R1.139 CCC(=O)c1ccc(cc1)CC#N 1458a_100000693995_100000210202 [0,1,0,0,0,0|2,0,1]=4 1196 B13R1.139 CCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210202 [0,1,0,0,0,0|2,0,0]=3 1197 B13R1.139 CCC(=O)c1ccc(cc1)CNC 26a_100102657272_100000212119 [0,1,0,0,0,0|2,0,0]=3 1198 B13R1.139 CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210202 [0,1,0,0,0,0|1,0,0]=2 1199 B13R1.139 CCC(=O)c1ccc(cc1)CSC 1458a_100000175442_100000210202 [0,1,0,0,0,0|1,1,0]=3 1200 B13R1.139 CCC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_100000210202 [0,1,0,0,0,0|3,0,0]=4 1201 B13R1.139 CCC(=O)c1ccc(cc1)OCF 34a_100000212119_100015361967 [0,1,0,0,0,0|1,0,0]=2 1202 B13R1.139 CCC(=O)c1ccc(cc1)OCF 7a_100000212119_100015361967 [0,1,0,0,0,0|1,0,0]=2 1203 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100000211647_100015361967 [0,1,0,0,0,0|1,1,0]=3 1204 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000211647 [0,1,0,0,0,0|1,1,0]=3 1205 B13R1.139 CCC(=O)c1ccc(cn1)SCF 62a_100012351654_100015361967 [0,1,0,0,0,0|2,1,0]=4 1206 B13R1.139 CCC(=O)c1ccc(cn1)SCF 62a_100015361967_100012351654 [0,1,0,0,0,0|2,1,0]=4 1207 B13R1.139 CCC(C)c1ccc(cc1)OCF 34a_100000211540_100015361967 [0,1,0,0,0,0|2,0,1]=4 1208 B13R1.139 CCC(C)c1ccc(cc1)OCF 7a_100000211540_100015361967 [0,1,0,0,0,0|2,0,1]=4 1209 B13R1.139 CCC(N)c1ccc(cc1)OCF 34a_100015187210_100015361967 [0,1,0,0,0,0|2,0,1]=4 1210 B13R1.139 CCCc1ccc(cc1)C(=O)CC 1458a_100011207308_100000210202 [0,1,0,0,0,0|2,0,0]=3 1211 B13R1.139 CCCc1ccc(cc1)C(=O)CF 1458a_100011207308_100015361967 [0,1,0,0,0,0|3,0,0]=4 1212 B13R1.139 CCCc1ccc(cc1)C(=O)NC 11a_106832991635_100011207308 [0,1,0,0,0,0|2,0,0]=3 1213 B13R1.139 CCCc1ccc(cc1)C(=O)NC 1626a_100102657272_100011207308 [0,1,0,0,0,0|2,0,0]=3 1214 B13R1.139 CCCc1ccc(cc1)C(=O)NC 240690a_100102657272_100011207308 [0,1,0,0,0,0|2,0,0]=3 1215 B13R1.139 CCCc1ccc(cc1)C(=O)NC 527a_100102657272_100011207308 [0,1,0,0,0,0|2,0,0]=3 1216 B13R1.139 CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210202 [0,1,0,0,0,0|2,0,0]=3 1217 B13R1.139 CCNc1ccc(cc1)C(=O)NC 27a_100015525214_100000155074 [0,1,0,0,0,0|2,0,0]=3 1218 B13R1.139 CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000210202 [0,1,0,0,0,0|2,0,0]=3 1219 B13R1.139 CCNc1ccc(cc1)C(=O)NN 27a_100015525214_100000183614 [0,1,0,0,0,0|3,0,0]=4 1220 B13R1.139 CCNc1ccc(cn1)C(=O)NC 27a_100015525214_100000159860 [0,1,0,0,0,0|3,0,0]=4 1221 B13R1.139 CCNc1ccc(cn1)C(=O)OC 27a_100015525214_100000733799 [0,1,0,0,0,0|2,0,0]=3 1222 B13R1.139 CCNc1ccc(nc1)C(=O)NC 27a_100015525214_100011781262 [0,1,0,0,0,0|3,0,0]=4 1223 B13R1.139 CCNc1ccc(nn1)C(=O)OC 27a_100015525214_100000738951 [0,1,0,0,0,0|3,0,0]=4 1224 B13R1.139 CCNc1cnc(cn1)C(=O)OC 27a_100015525214_100010219404 [0,1,0,0,0,0|3,0,0]=4 1225 B13R1.139 CCNc1ncc(cn1)C(=O)OC 27a_100015525214_100000729365 [0,1,0,0,0,0|3,0,0]=4 1226 B13R1.139 CCOc1ccc(cc1)C(=NO)C 34a_100000164205_100000210202 [0,1,0,0,0,0|3,0,0]=4 1227 B13R1.139 CCOc1ccc(cc1)C(=NO)N 34a_100000231063_100000210202 [0,1,0,0,0,0|3,0,0]=4 1228 B13R1.139 CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210202 [0,1,0,0,0,0|2,0,0]=3 1229 B13R1.139 CCOc1ccc(cc1)C(=O)CC 1458a_100000181891_100000210202 [0,1,0,0,0,0|1,0,0]=2 1230 B13R1.139 CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210202 [0,1,0,0,0,0|1,0,0]=2 1231 B13R1.139 CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210202 [0,1,0,0,0,0|1,0,0]=2 1232 B13R1.139 CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210202 [0,1,0,0,0,0|2,0,0]=3 1233 B13R1.139 CCOc1ccc(cc1)C(=O)CF 1458a_100000181891_100015361967 [0,1,0,0,0,0|2,0,0]=3 1234 B13R1.139 CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210202 [0,1,0,0,0,0|2,0,0]=3 1235 B13R1.139 CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210202 [0,1,0,0,0,0|2,0,0]=3 1236 B13R1.139 CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000181891 [0,1,0,0,0,0|1,0,0]=2 1237 B13R1.139 CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000181891 [0,1,0,0,0,0|1,0,0]=2 1238 B13R1.139 CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000181891 [0,1,0,0,0,0|1,0,0]=2 1239 B13R1.139 CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210202 [0,1,0,0,0,0|1,0,0]=2 1240 B13R1.139 CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000181891 [0,1,0,0,0,0|1,0,0]=2 1241 B13R1.139 CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210202 [0,1,0,0,0,0|1,0,0]=2 1242 B13R1.139 CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210202 [0,1,0,0,0,0|2,0,0]=3 1243 B13R1.139 CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210202 [0,1,0,0,0,0|0,0,0]=1 1244 B13R1.139 CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210202 [0,1,0,0,0,0|0,0,0]=1 1245 B13R1.139 CCOc1ccc(cc1)C(C)CC 34a_100000211540_100000210202 [0,1,0,0,0,0|2,0,1]=4 1246 B13R1.139 CCOc1ccc(cc1)C(C)CC 7a_100000211540_100000210202 [0,1,0,0,0,0|2,0,1]=4 1247 B13R1.139 CCOc1ccc(cc1)C(C)NC 2230a_100000740525_200000210301 [0,1,0,0,0,0|2,0,1]=4 1248 B13R1.139 CCOc1ccc(cc1)C(C)NC 269862a_106832991636_100000169860 [0,1,0,0,0,0|2,0,1]=4 1249 B13R1.139 CCOc1ccc(cc1)C(C)N[13CH3] 2230a_100000740525_200025704644 [0,1,0,0,0,0|2,0,1]=4 1250 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [0,1,0,0,0,0|1,0,1]=3 1251 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [0,1,0,0,0,0|1,0,1]=3 1252 B13R1.139 CCOc1ccc(cc1)C(N)CC 34a_100015187210_100000210202 [0,1,0,0,0,0|2,0,1]=4 1253 B13R1.139 CCOc1ccc(cc1)N(C)CC 2230a_100025784348_100000210202 [0,1,0,0,0,0|3,0,0]=4 1254 B13R1.139 CCOc1ccc(cc1)N(C)CC 269982a_100025784348_100000204670 [0,1,0,0,0,0|3,0,0]=4 1255 B13R1.139 CCOc1ccc(cc1)N(C)CC 34a_100025784348_100000210202 [0,1,0,0,0,0|3,0,0]=4 1256 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [0,1,0,0,0,0|1,0,1]=3 1257 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [0,1,0,0,0,0|1,0,1]=3 1258 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [0,1,0,0,0,0|1,0,1]=3 1259 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [0,1,0,0,0,0|1,0,1]=3 1260 B13R1.139 CCOc1ccc(nc1)C(=O)NC 34a_100009861314_100000210202 [0,1,0,0,0,0|2,0,0]=3 1261 B13R1.139 CCOc1ccc(nc1)C(=O)NC 7a_100009861314_100000210202 [0,1,0,0,0,0|2,0,0]=3 1262 B13R1.139 CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000210202 [0,1,0,0,0,0|1,0,0]=2 1263 B13R1.139 CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000210202 [0,1,0,0,0,0|1,0,0]=2 1264 B13R1.139 CCSc1ccc(cc1)C(=O)C#N 62a_100000210202_100009994572 [0,1,0,0,0,0|2,1,0]=4 1265 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000210202_100000725942 [0,1,0,0,0,0|2,1,0]=4 1266 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000725942_100000210202 [0,1,0,0,0,0|2,1,0]=4 1267 B13R1.139 CCSc1ccc(cc1)C(=O)CC 1458a_100000244969_100000210202 [0,1,0,0,0,0|1,1,0]=3 1268 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000210202_100000211647 [0,1,0,0,0,0|1,1,0]=3 1269 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210202 [0,1,0,0,0,0|1,1,0]=3 1270 B13R1.139 CCSc1ccc(cc1)C(=O)CF 1458a_100000244969_100015361967 [0,1,0,0,0,0|2,1,0]=4 1271 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000017248_100000210202 [0,1,0,0,0,0|2,1,0]=4 1272 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000210202_100000017248 [0,1,0,0,0,0|2,1,0]=4 1273 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100000210202_100011219529 [0,1,0,0,0,0|2,1,0]=4 1274 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000210202 [0,1,0,0,0,0|2,1,0]=4 1275 B13R1.139 CCSc1ccc(cc1)C(=O)NC 11a_106832991635_100000244969 [0,1,0,0,0,0|1,1,0]=3 1276 B13R1.139 CCSc1ccc(cc1)C(=O)NC 1626a_100102657272_100000244969 [0,1,0,0,0,0|1,1,0]=3 1277 B13R1.139 CCSc1ccc(cc1)C(=O)NC 240690a_100102657272_100000244969 [0,1,0,0,0,0|1,1,0]=3 1278 B13R1.139 CCSc1ccc(cc1)C(=O)NC 527a_100102657272_100000244969 [0,1,0,0,0,0|1,1,0]=3 1279 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210202 [0,1,0,0,0,0|1,1,0]=3 1280 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000210202_100000155074 [0,1,0,0,0,0|1,1,0]=3 1281 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000183614_100000210202 [0,1,0,0,0,0|2,1,0]=4 1282 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000210202_100000183614 [0,1,0,0,0,0|2,1,0]=4 1283 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210202 [0,1,0,0,0,0|0,1,0]=2 1284 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000210202_100000150774 [0,1,0,0,0,0|0,1,0]=2 1285 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100000210202_100010254937 [0,1,0,0,0,0|1,1,1]=4 1286 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100010254937_100000210202 [0,1,0,0,0,0|1,1,1]=4 1287 B13R1.139 CCSc1ccc(cn1)C(=O)NC 62a_100000159860_100000210202 [0,1,0,0,0,0|2,1,0]=4 1288 B13R1.139 CCSc1ccc(cn1)C(=O)NC 62a_100000210202_100000159860 [0,1,0,0,0,0|2,1,0]=4 1289 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000210202_100000733799 [0,1,0,0,0,0|1,1,0]=3 1290 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000210202 [0,1,0,0,0,0|1,1,0]=3 1291 B13R1.139 CCSc1ccc(nc1)C(=O)CC 62a_100000210202_100012351654 [0,1,0,0,0,0|2,1,0]=4 1292 B13R1.139 CCSc1ccc(nc1)C(=O)CC 62a_100012351654_100000210202 [0,1,0,0,0,0|2,1,0]=4 1293 B13R1.139 CCSc1ccc(nc1)C(=O)NC 62a_100000210202_100011781262 [0,1,0,0,0,0|2,1,0]=4 1294 B13R1.139 CCSc1ccc(nc1)C(=O)NC 62a_100011781262_100000210202 [0,1,0,0,0,0|2,1,0]=4 1295 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100000210202_100102712061 [0,1,0,0,0,0|1,1,0]=3 1296 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000210202 [0,1,0,0,0,0|1,1,0]=3 1297 B13R1.139 CCSc1ccc(nn1)C(=O)OC 62a_100000210202_100000738951 [0,1,0,0,0,0|2,1,0]=4 1298 B13R1.139 CCSc1ccc(nn1)C(=O)OC 62a_100000738951_100000210202 [0,1,0,0,0,0|2,1,0]=4 1299 B13R1.139 CCSc1cnc(cn1)C(=O)OC 62a_100000210202_100010219404 [0,1,0,0,0,0|2,1,0]=4 1300 B13R1.139 CCSc1cnc(cn1)C(=O)OC 62a_100010219404_100000210202 [0,1,0,0,0,0|2,1,0]=4 1301 B13R1.139 CCSc1cnc(nc1)C(=O)OC 62a_100000210202_100000690087 [0,1,0,0,0,0|2,1,0]=4 1302 B13R1.139 CCSc1cnc(nc1)C(=O)OC 62a_100000690087_100000210202 [0,1,0,0,0,0|2,1,0]=4 1303 B13R1.139 CCSc1ncc(cn1)C(=O)OC 62a_100000210202_100000729365 [0,1,0,0,0,0|2,1,0]=4 1304 B13R1.139 CCSc1ncc(cn1)C(=O)OC 62a_100000729365_100000210202 [0,1,0,0,0,0|2,1,0]=4 1305 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 11a_106832991635_100000693995 [0,1,0,0,0,0|2,0,1]=4 1306 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 1626a_100102657272_100000693995 [0,1,0,0,0,0|2,0,1]=4 1307 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 240690a_100102657272_100000693995 [0,1,0,0,0,0|2,0,1]=4 1308 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 527a_100102657272_100000693995 [0,1,0,0,0,0|2,0,1]=4 1309 B13R1.139 CNC(=O)c1ccc(cc1)CCO 1626a_100102657272_100000078963 [0,1,0,0,0,0|2,0,0]=3 1310 B13R1.139 CNC(=O)c1ccc(cc1)CCO 240690a_100102657272_100000078963 [0,1,0,0,0,0|2,0,0]=3 1311 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 2230a_100000743749_200025704644 [0,1,0,0,0,0|2,0,0]=3 1312 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 34a_100000743749_200025704644 [0,1,0,0,0,0|2,0,0]=3 1313 B13R1.139 CNC(=O)c1ccc(cc1)COC 11a_106832991635_100000189608 [0,1,0,0,0,0|1,0,0]=2 1314 B13R1.139 CNC(=O)c1ccc(cc1)COC 1626a_100102657272_100000189608 [0,1,0,0,0,0|1,0,0]=2 1315 B13R1.139 CNC(=O)c1ccc(cc1)COC 240690a_100102657272_100000189608 [0,1,0,0,0,0|1,0,0]=2 1316 B13R1.139 CNC(=O)c1ccc(cc1)COC 34a_100138415774_100000753832 [0,1,0,0,0,0|1,0,0]=2 1317 B13R1.139 CNC(=O)c1ccc(cc1)COC 527a_100102657272_100000189608 [0,1,0,0,0,0|1,0,0]=2 1318 B13R1.139 CNC(=O)c1ccc(cc1)CSC 11a_106832991635_100000175442 [0,1,0,0,0,0|1,1,0]=3 1319 B13R1.139 CNC(=O)c1ccc(cc1)CSC 1626a_100102657272_100000175442 [0,1,0,0,0,0|1,1,0]=3 1320 B13R1.139 CNC(=O)c1ccc(cc1)CSC 240690a_100102657272_100000175442 [0,1,0,0,0,0|1,1,0]=3 1321 B13R1.139 CNC(=O)c1ccc(cc1)CSC 527a_100102657272_100000175442 [0,1,0,0,0,0|1,1,0]=3 1322 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_100000753832_200000210301 [0,1,0,0,0,0|1,1,0]=3 1323 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_200000210301_100000753832 [0,1,0,0,0,0|1,1,0]=3 1324 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_100000753832_200025704644 [0,1,0,0,0,0|1,1,0]=3 1325 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000753832 [0,1,0,0,0,0|1,1,0]=3 1326 B13R1.139 CNC(=O)c1ccc(cc1)N=[N+]=[N-] 11a_106832991635_100000039380 [0,1,0,0,0,0|3,0,0]=4 1327 B13R1.139 CNC(=O)c1ccc(cc1)N=[N+]=[N-] 240690a_100102657272_100000039380 [0,1,0,0,0,0|3,0,0]=4 1328 B13R1.139 CNC(=O)c1ccc(cc1)NCF 34a_100000184841_100015361967 [0,1,0,0,0,0|2,0,0]=3 1329 B13R1.139 CNC(=O)c1ccc(cc1)OCF 34a_100000192141_100015361967 [0,1,0,0,0,0|1,0,0]=2 1330 B13R1.139 CNC(=O)c1ccc(cc1)OCF 7a_100000192141_100015361967 [0,1,0,0,0,0|1,0,0]=2 1331 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100000155074_100015361967 [0,1,0,0,0,0|1,1,0]=3 1332 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000155074 [0,1,0,0,0,0|1,1,0]=3 1333 B13R1.139 CNC(=O)c1ccc(cn1)OCF 34a_100009861314_100015361967 [0,1,0,0,0,0|2,0,0]=3 1334 B13R1.139 CNC(=O)c1ccc(cn1)OCF 7a_100009861314_100015361967 [0,1,0,0,0,0|2,0,0]=3 1335 B13R1.139 CNC(=O)c1ccc(cn1)SCF 62a_100011781262_100015361967 [0,1,0,0,0,0|2,1,0]=4 1336 B13R1.139 CNC(=O)c1ccc(cn1)SCF 62a_100015361967_100011781262 [0,1,0,0,0,0|2,1,0]=4 1337 B13R1.139 CNC(=O)c1ccc(nc1)SCF 62a_100000159860_100015361967 [0,1,0,0,0,0|2,1,0]=4 1338 B13R1.139 CNC(=O)c1ccc(nc1)SCF 62a_100015361967_100000159860 [0,1,0,0,0,0|2,1,0]=4 1339 B13R1.139 CNCc1ccc(cc1)C(=O)CBr 26a_100102657272_100009814261 [0,1,0,0,0,0|3,0,0]=4 1340 B13R1.139 CNCc1ccc(cc1)C(=O)CCl 26a_100102657272_100000018856 [0,1,0,0,0,0|3,0,0]=4 1341 B13R1.139 CNCc1ccc(cc1)C(=O)CF 26a_100102657272_200010654591 [0,1,0,0,0,0|3,0,0]=4 1342 B13R1.139 CNCc1ccc(cc1)C(=O)NC 207a_100102657272_100000043907 [0,1,0,0,0,0|2,0,0]=3 1343 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_100000743749_200000210301 [0,1,0,0,0,0|2,0,0]=3 1344 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_106832991635_100000753832 [0,1,0,0,0,0|2,0,0]=3 1345 B13R1.139 CNCc1ccc(cc1)C(=O)NC 270004a_106832991635_100000043907 [0,1,0,0,0,0|2,0,0]=3 1346 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100000743749_200000210301 [0,1,0,0,0,0|2,0,0]=3 1347 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100102657272_100000753832 [0,1,0,0,0,0|2,0,0]=3 1348 B13R1.139 CNCc1ccc(cc1)C(=O)NC 7a_106832991635_100000753832 [0,1,0,0,0,0|2,0,0]=3 1349 B13R1.139 CNCc1ccc(cc1)C(=O)OC 2230a_106832991635_100000735637 [0,1,0,0,0,0|1,0,0]=2 1350 B13R1.139 CNCc1ccc(cc1)C(=O)OC 26a_100102657272_100000150123 [0,1,0,0,0,0|1,0,0]=2 1351 B13R1.139 CNCc1ccc(cc1)C(=O)OC 270004a_106832991635_100000148700 [0,1,0,0,0,0|1,0,0]=2 1352 B13R1.139 CNCc1ccc(cc1)C(=O)OC 34a_100102657272_100000735637 [0,1,0,0,0,0|1,0,0]=2 1353 B13R1.139 CNCc1ccc(cc1)C(=O)OC 7a_106832991635_100000735637 [0,1,0,0,0,0|1,0,0]=2 1354 B13R1.139 CNCc1ccc(cc1)C(C)OC 26a_100102657272_200010658654 [0,1,0,0,0,0|2,0,1]=4 1355 B13R1.139 CNCc1ccc(cn1)C(=O)OC 2230a_106832991635_100000063545 [0,1,0,0,0,0|2,0,0]=3 1356 B13R1.139 CNCc1ccc(cn1)C(=O)OC 270004a_106832991635_100000762506 [0,1,0,0,0,0|2,0,0]=3 1357 B13R1.139 CNCc1ccc(cn1)C(=O)OC 34a_100102657272_100010230174 [0,1,0,0,0,0|2,0,0]=3 1358 B13R1.139 CNCc1ccc(cn1)C(=O)OC 7a_106832991635_100000063545 [0,1,0,0,0,0|2,0,0]=3 1359 B13R1.139 CNCc1ccc(nc1)C(=O)OC 2230a_106832991635_100010177729 [0,1,0,0,0,0|2,0,0]=3 1360 B13R1.139 CNCc1ccc(nc1)C(=O)OC 270004a_106832991635_102516457225 [0,1,0,0,0,0|2,0,0]=3 1361 B13R1.139 CNCc1ccc(nc1)C(=O)OC 34a_100102657272_100010177729 [0,1,0,0,0,0|2,0,0]=3 1362 B13R1.139 CNCc1ccc(nc1)C(=O)OC 7a_106832991635_100010177729 [0,1,0,0,0,0|2,0,0]=3 1363 B13R1.139 CNCc1cnc(cn1)C(=O)OC 2230a_106832991635_200010203303 [0,1,0,0,0,0|3,0,0]=4 1364 B13R1.139 CNCc1cnc(cn1)C(=O)OC 270004a_106832991635_100009852676 [0,1,0,0,0,0|3,0,0]=4 1365 B13R1.139 CNCc1cnc(cn1)C(=O)OC 34a_100102657272_200010203303 [0,1,0,0,0,0|3,0,0]=4 1366 B13R1.139 CNCc1cnc(cn1)C(=O)OC 7a_106832991635_200010203303 [0,1,0,0,0,0|3,0,0]=4 1367 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,1,0,0,0,0|0,0,0]=1 1368 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,1,0,0,0,0|0,0,0]=1 1369 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_100000735637_200000210301 [0,1,0,0,0,0|0,1,0]=2 1370 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_200000210301_100000187170 [0,1,0,0,0,0|0,1,0]=2 1371 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_100000735637_200025704644 [0,1,0,0,0,0|0,1,0]=2 1372 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000187170 [0,1,0,0,0,0|0,1,0]=2 1373 B13R1.139 COC(=O)c1ccc(cc1)OCF 34a_100000150123_100015361967 [0,1,0,0,0,0|0,0,0]=1 1374 B13R1.139 COC(=O)c1ccc(cc1)OCF 7a_100000150123_100015361967 [0,1,0,0,0,0|0,0,0]=1 1375 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100000150774_100015361967 [0,1,0,0,0,0|0,1,0]=2 1376 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100015361967_100000150774 [0,1,0,0,0,0|0,1,0]=2 1377 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 34a_100009873365_200025704644 [0,1,0,0,0,0|1,0,0]=2 1378 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 7a_100009873365_200025704644 [0,1,0,0,0,0|1,0,0]=2 1379 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_100010177729_200000210301 [0,1,0,0,0,0|1,1,0]=3 1380 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_200000210301_100010177729 [0,1,0,0,0,0|1,1,0]=3 1381 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_100010177729_200025704644 [0,1,0,0,0,0|1,1,0]=3 1382 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_200025704644_100010177729 [0,1,0,0,0,0|1,1,0]=3 1383 B13R1.139 COC(=O)c1ccc(cn1)OCF 34a_100011997255_100015361967 [0,1,0,0,0,0|1,0,0]=2 1384 B13R1.139 COC(=O)c1ccc(cn1)OCF 7a_100011997255_100015361967 [0,1,0,0,0,0|1,0,0]=2 1385 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100015361967_100102712061 [0,1,0,0,0,0|1,1,0]=3 1386 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100102712061_100015361967 [0,1,0,0,0,0|1,1,0]=3 1387 B13R1.139 COC(=O)c1ccc(nc1)CO[13CH3] 34a_100000239634_200025704644 [0,1,0,0,0,0|1,0,0]=2 1388 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_100010230174_200000210301 [0,1,0,0,0,0|1,1,0]=3 1389 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_200000210301_100010230174 [0,1,0,0,0,0|1,1,0]=3 1390 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_100010230174_200025704644 [0,1,0,0,0,0|1,1,0]=3 1391 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_200025704644_100010230174 [0,1,0,0,0,0|1,1,0]=3 1392 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100000733799_100015361967 [0,1,0,0,0,0|1,1,0]=3 1393 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100015361967_100000733799 [0,1,0,0,0,0|1,1,0]=3 1394 B13R1.139 COC(=O)c1ccc(nn1)SCF 62a_100000738951_100015361967 [0,1,0,0,0,0|2,1,0]=4 1395 B13R1.139 COC(=O)c1ccc(nn1)SCF 62a_100015361967_100000738951 [0,1,0,0,0,0|2,1,0]=4 1396 B13R1.139 COC(=O)c1cnc(cn1)CSC 62a_200000210301_200010203303 [0,1,0,0,0,0|2,1,0]=4 1397 B13R1.139 COC(=O)c1cnc(cn1)CSC 62a_200010203303_200000210301 [0,1,0,0,0,0|2,1,0]=4 1398 B13R1.139 COC(=O)c1cnc(cn1)CS[13CH3] 62a_200010203303_200025704644 [0,1,0,0,0,0|2,1,0]=4 1399 B13R1.139 COC(=O)c1cnc(cn1)CS[13CH3] 62a_200025704644_200010203303 [0,1,0,0,0,0|2,1,0]=4 1400 B13R1.139 COC(=O)c1cnc(cn1)SCF 62a_100010219404_100015361967 [0,1,0,0,0,0|2,1,0]=4 1401 B13R1.139 COC(=O)c1cnc(cn1)SCF 62a_100015361967_100010219404 [0,1,0,0,0,0|2,1,0]=4 1402 B13R1.139 COC(=O)c1cnc(nc1)SCF 62a_100000729365_100015361967 [0,1,0,0,0,0|2,1,0]=4 1403 B13R1.139 COC(=O)c1cnc(nc1)SCF 62a_100015361967_100000729365 [0,1,0,0,0,0|2,1,0]=4 1404 B13R1.139 COC(=O)c1ncc(cn1)SCF 62a_100000690087_100015361967 [0,1,0,0,0,0|2,1,0]=4 1405 B13R1.139 COC(=O)c1ncc(cn1)SCF 62a_100015361967_100000690087 [0,1,0,0,0,0|2,1,0]=4 1406 B13R1.139 COC(C)c1ccc(cc1)OCF 34a_200010658654_100015361967 [0,1,0,0,0,0|1,0,1]=3 1407 B13R1.139 COC(C)c1ccc(cc1)OCF 7a_200010658654_100015361967 [0,1,0,0,0,0|1,0,1]=3 1408 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100010254937_100015361967 [0,1,0,0,0,0|1,1,1]=4 1409 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100015361967_100010254937 [0,1,0,0,0,0|1,1,1]=4 1410 B13R1.139 COCc1ccc(cc1)C(=O)CF 1458a_100000189608_100015361967 [0,1,0,0,0,0|2,0,0]=3 1411 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,1,0,0,0,0|0,0,0]=1 1412 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,1,0,0,0,0|0,0,0]=1 1413 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,1,0,0,0,0|0,0,0]=1 1414 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100000239634_200000210301 [0,1,0,0,0,0|1,0,0]=2 1415 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100138415774_100010230174 [0,1,0,0,0,0|1,0,0]=2 1416 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100009873365_200000210301 [0,1,0,0,0,0|1,0,0]=2 1417 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100138415774_100010177729 [0,1,0,0,0,0|1,0,0]=2 1418 B13R1.139 COCc1ccc(nc1)C(=O)OC 7a_100009873365_200000210301 [0,1,0,0,0,0|1,0,0]=2 1419 B13R1.139 COCc1cnc(cn1)C(=O)OC 34a_100138415774_200010203303 [0,1,0,0,0,0|2,0,0]=3 1420 B13R1.139 CSCc1ccc(cc1)C(=O)CF 1458a_100000175442_100015361967 [0,1,0,0,0,0|2,1,0]=4 1421 B13R1.139 N#CC(=O)c1ccc(cc1)SCF 62a_100015361967_100009994572 [0,1,0,0,0,0|2,1,0]=4 1422 B13R1.139 NC(=NO)c1ccc(cc1)OCF 34a_100000231063_100015361967 [0,1,0,0,0,0|3,0,0]=4 1423 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100000017248_100015361967 [0,1,0,0,0,0|2,1,0]=4 1424 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000017248 [0,1,0,0,0,0|2,1,0]=4 1425 B13R1.139 NNC(=O)c1ccc(cc1)OCF 34a_100000185078_100015361967 [0,1,0,0,0,0|2,0,0]=3 1426 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100000183614_100015361967 [0,1,0,0,0,0|2,1,0]=4 1427 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000183614 [0,1,0,0,0,0|2,1,0]=4 1428 B13R1.139 O=C(CBr)c1ccc(cc1)OCF 7a_100009814261_100015361967 [0,1,0,0,0,0|2,0,0]=3 1429 B13R1.139 O=C(CCl)c1ccc(cc1)OCF 7a_100000018856_100015361967 [0,1,0,0,0,0|2,0,0]=3 1430 B13R1.139 O=C(CF)c1ccc(cc1)CCO 1458a_100000078963_100015361967 [0,1,0,0,0,0|3,0,0]=4 1431 B13R1.139 O=C(CF)c1ccc(cc1)OCF 34a_200010654591_100015361967 [0,1,0,0,0,0|2,0,0]=3 1432 B13R1.139 O=C(CF)c1ccc(cc1)OCF 7a_200010654591_100015361967 [0,1,0,0,0,0|2,0,0]=3 1433 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100011219529_100015361967 [0,1,0,0,0,0|2,1,0]=4 1434 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100015361967_100011219529 [0,1,0,0,0,0|2,1,0]=4 1435 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100000725942_100015361967 [0,1,0,0,0,0|2,1,0]=4 1436 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000725942 [0,1,0,0,0,0|2,1,0]=4 1437 B13R1.187 C=Cc1ccc(cc1)S(=O)(=O)OC 271570a_100011290941_100000004522 [0,1,0,0,0,0|2,0,1]=4 1438 B13R1.187 CCC(C)(C)c1ccc(cc1)OC 7a_100000211029_200000210301 [0,1,0,0,0,0|2,0,1]=4 1439 B13R1.187 CCC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000211029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1440 B13R1.187 CCS(=O)(=O)c1ccc(cc1)NC 34a_100000737813_200000210301 [0,1,0,0,0,0|3,0,0]=4 1441 B13R1.187 CCS(=O)(=O)c1ccc(cc1)NC 7a_100000737813_200000210301 [0,1,0,0,0,0|3,0,0]=4 1442 B13R1.187 CCS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000737813_200025704644 [0,1,0,0,0,0|3,0,0]=4 1443 B13R1.187 CCS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000737813_200025704644 [0,1,0,0,0,0|3,0,0]=4 1444 B13R1.187 CCS(=O)(=O)c1ccc(cc1)SC 62a_100000765143_200000210301 [0,1,0,0,0,0|2,1,0]=4 1445 B13R1.187 CCS(=O)(=O)c1ccc(cc1)SC 62a_200000210301_100000765143 [0,1,0,0,0,0|2,1,0]=4 1446 B13R1.187 CCS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765143_200025704644 [0,1,0,0,0,0|2,1,0]=4 1447 B13R1.187 CCS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765143 [0,1,0,0,0,0|2,1,0]=4 1448 B13R1.187 CCc1ccc(cc1)S(=O)(=O)NC 270084a_100102657272_100000212210 [0,1,0,0,0,0|3,0,0]=4 1449 B13R1.187 CCc1ccc(cc1)S(=O)(=O)NC 274078a_100102657272_100000212210 [0,1,0,0,0,0|3,0,0]=4 1450 B13R1.187 CNC(C)(C)c1ccc(cc1)OC 2230a_200015186604_200000210301 [0,1,0,0,0,0|2,0,1]=4 1451 B13R1.187 CNS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000184917_200025704644 [0,1,0,0,0,0|3,0,0]=4 1452 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 270084a_100102657272_100000182833 [0,1,0,0,0,0|2,0,0]=3 1453 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 274078a_100102657272_100000182833 [0,1,0,0,0,0|2,0,0]=3 1454 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 270084a_100102657272_100000747762 [0,1,0,0,0,0|2,1,0]=4 1455 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 274078a_100102657272_100000747762 [0,1,0,0,0,0|2,1,0]=4 1456 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 62a_100000754977_200000210301 [0,1,0,0,0,0|2,1,0]=4 1457 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 62a_200000210301_100000754977 [0,1,0,0,0,0|2,1,0]=4 1458 B13R1.187 CNS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000754977_200025704644 [0,1,0,0,0,0|2,1,0]=4 1459 B13R1.187 CNS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000754977 [0,1,0,0,0,0|2,1,0]=4 1460 B13R1.187 CNS(=O)(=O)c1ccc(nc1)OC 270084a_100102657272_100000756427 [0,1,0,0,0,0|3,0,0]=4 1461 B13R1.187 CNS(=O)(=O)c1ccc(nc1)OC 274078a_100102657272_100000756427 [0,1,0,0,0,0|3,0,0]=4 1462 B13R1.187 CNc1ccc(cc1)S(=O)(=O)NC 34a_100000184917_200000210301 [0,1,0,0,0,0|3,0,0]=4 1463 B13R1.187 COc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200015186604_200025704644 [0,1,0,0,0,0|2,0,1]=4 1464 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,1,0,0,0,0|1,0,1]=3 1465 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,1,0,0,0,0|1,0,1]=3 1466 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,1,0,0,0,0|1,0,1]=3 1467 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,1,0,0,0,0|1,0,1]=3 1468 B13R1.452 C#CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000184674 [0,1,0,0,0,0|2,0,1]=4 1469 B13R1.452 C#CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000184674 [0,1,0,0,0,0|1,0,1]=3 1470 B13R1.452 C#CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000184674 [0,1,0,0,0,0|1,1,1]=4 1471 B13R1.452 C#Cc1ccc(cc1)C(=O)CCC 1458a_100011217615_100000210303 [0,1,0,0,0,0|2,0,1]=4 1472 B13R1.452 C#Cc1ccc(cc1)C(=O)CCF 1458a_100011217615_100011217306 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.452 C#Cc1ccc(cc1)C(=O)CCO 1458a_100011217615_100000211926 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 11a_100015525214_100011217615 [0,1,0,0,0,0|2,0,1]=4 1475 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 240690a_100015525214_100011217615 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 527a_100015525214_100011217615 [0,1,0,0,0,0|2,0,1]=4 1477 B13R1.452 C#Cc1ccc(cc1)C(=O)NNC 22a_100016993582_100011217615 [0,1,0,0,0,0|2,0,1]=4 1478 B13R1.452 C=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210623 [0,1,0,0,0,0|2,0,1]=4 1479 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,1,0,0,0,0|1,0,1]=3 1480 B13R1.452 C=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210623 [0,1,0,0,0,0|1,1,1]=4 1481 B13R1.452 C=Cc1ccc(cc1)C(=O)C#CC 271570a_100011290941_100153741113 [0,1,0,0,0,0|2,0,1]=4 1482 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 1458a_100000687532_100000210303 [0,1,0,0,0,0|2,0,1]=4 1483 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 271570a_100011290941_100011267722 [0,1,0,0,0,0|2,0,1]=4 1484 B13R1.452 C=Cc1ccc(cc1)C(=O)CCF 1458a_100000687532_100011217306 [0,1,0,0,0,0|2,0,1]=4 1485 B13R1.452 C=Cc1ccc(cc1)C(=O)CCO 1458a_100000687532_100000211926 [0,1,0,0,0,0|2,0,1]=4 1486 B13R1.452 C=Cc1ccc(cc1)C(=O)COC 271570a_100011290941_200011343064 [0,1,0,0,0,0|1,0,1]=3 1487 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 11a_100015525214_100000687532 [0,1,0,0,0,0|2,0,1]=4 1488 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 240690a_100015525214_100000687532 [0,1,0,0,0,0|2,0,1]=4 1489 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 271570a_100011290941_100000155177 [0,1,0,0,0,0|2,0,1]=4 1490 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 527a_100015525214_100000687532 [0,1,0,0,0,0|2,0,1]=4 1491 B13R1.452 C=Cc1ccc(cc1)C(=O)NNC 22a_100016993582_100000687532 [0,1,0,0,0,0|2,0,1]=4 1492 B13R1.452 C=Cc1ccc(cc1)C(=O)OCC 271570a_100011290941_100000170077 [0,1,0,0,0,0|1,0,1]=3 1493 B13R1.452 C=Cc1ccc(cn1)C(=O)OCC 271570a_100011290941_100000170224 [0,1,0,0,0,0|2,0,1]=4 1494 B13R1.452 C=Cc1ccc(nc1)C(=O)OCC 271570a_100011290941_100011781174 [0,1,0,0,0,0|2,0,1]=4 1495 B13R1.452 CC#CC(=O)c1ccc(cc1)SC 62a_200000210301_100153741113 [0,1,0,0,0,0|1,1,0]=3 1496 B13R1.452 CC#CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100153741113 [0,1,0,0,0,0|1,1,0]=3 1497 B13R1.452 CCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210303 [0,1,0,0,0,0|3,0,0]=4 1498 B13R1.452 CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210303 [0,1,0,0,0,0|2,0,0]=3 1499 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,1,0,0,0,0|3,0,0]=4 1500 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,1,0,0,0,0|1,0,0]=2 1501 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,1,0,0,0,0|1,0,0]=2 1502 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,1,0,0,0,0|1,0,0]=2 1503 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,1,0,0,0,0|1,0,0]=2 1504 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,1,0,0,0,0|1,0,0]=2 1505 B13R1.452 CCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210303 [0,1,0,0,0,0|1,1,0]=3 1506 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_100011267722_200000210301 [0,1,0,0,0,0|1,1,0]=3 1507 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_200000210301_100011267722 [0,1,0,0,0,0|1,1,0]=3 1508 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_100011267722_200025704644 [0,1,0,0,0,0|1,1,0]=3 1509 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011267722 [0,1,0,0,0,0|1,1,0]=3 1510 B13R1.452 CCCC(=O)c1ccc(nc1)NC 27a_100102657272_200012185933 [0,1,0,0,0,0|3,0,0]=4 1511 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200000210301_200012185933 [0,1,0,0,0,0|2,1,0]=4 1512 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200012185933_200000210301 [0,1,0,0,0,0|2,1,0]=4 1513 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200012185933_200025704644 [0,1,0,0,0,0|2,1,0]=4 1514 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_200012185933 [0,1,0,0,0,0|2,1,0]=4 1515 B13R1.452 CCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210303 [0,1,0,0,0,0|3,0,0]=4 1516 B13R1.452 CCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210303 [0,1,0,0,0,0|3,0,0]=4 1517 B13R1.452 CCCN(C)c1ccc(cc1)OC 34a_100000220023_100000210303 [0,1,0,0,0,0|3,0,0]=4 1518 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 11a_100015525214_100000210717 [0,1,0,0,0,0|3,0,0]=4 1519 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 240690a_100015525214_100000210717 [0,1,0,0,0,0|3,0,0]=4 1520 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 527a_100015525214_100000210717 [0,1,0,0,0,0|3,0,0]=4 1521 B13R1.452 CCNC(=O)c1ccc(cc1)CC 11a_100015525214_100000211226 [0,1,0,0,0,0|2,0,0]=3 1522 B13R1.452 CCNC(=O)c1ccc(cc1)CC 240690a_100015525214_100000211226 [0,1,0,0,0,0|2,0,0]=3 1523 B13R1.452 CCNC(=O)c1ccc(cc1)CC 527a_100015525214_100000211226 [0,1,0,0,0,0|2,0,0]=3 1524 B13R1.452 CCNC(=O)c1ccc(cc1)CO 240690a_100015525214_100000183892 [0,1,0,0,0,0|3,0,0]=4 1525 B13R1.452 CCNC(=O)c1ccc(cc1)NC 2230a_100000741011_200000210301 [0,1,0,0,0,0|2,0,0]=3 1526 B13R1.452 CCNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155177 [0,1,0,0,0,0|2,0,0]=3 1527 B13R1.452 CCNC(=O)c1ccc(cc1)NC 34a_100000741011_200000210301 [0,1,0,0,0,0|2,0,0]=3 1528 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000741011_200025704644 [0,1,0,0,0,0|2,0,0]=3 1529 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000741011_200025704644 [0,1,0,0,0,0|2,0,0]=3 1530 B13R1.452 CCNC(=O)c1ccc(cc1)OC 11a_100015525214_100000184203 [0,1,0,0,0,0|1,0,0]=2 1531 B13R1.452 CCNC(=O)c1ccc(cc1)OC 240690a_100015525214_100000184203 [0,1,0,0,0,0|1,0,0]=2 1532 B13R1.452 CCNC(=O)c1ccc(cc1)OC 527a_100015525214_100000184203 [0,1,0,0,0,0|1,0,0]=2 1533 B13R1.452 CCNC(=O)c1ccc(cc1)SC 11a_100015525214_100000189692 [0,1,0,0,0,0|1,1,0]=3 1534 B13R1.452 CCNC(=O)c1ccc(cc1)SC 240690a_100015525214_100000189692 [0,1,0,0,0,0|1,1,0]=3 1535 B13R1.452 CCNC(=O)c1ccc(cc1)SC 527a_100015525214_100000189692 [0,1,0,0,0,0|1,1,0]=3 1536 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_100000155177_200000210301 [0,1,0,0,0,0|1,1,0]=3 1537 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155177 [0,1,0,0,0,0|1,1,0]=3 1538 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155177_200025704644 [0,1,0,0,0,0|1,1,0]=3 1539 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155177 [0,1,0,0,0,0|1,1,0]=3 1540 B13R1.452 CCNC(=O)c1ccc(cn1)NC 27a_100102657272_200011781264 [0,1,0,0,0,0|3,0,0]=4 1541 B13R1.452 CCNC(=O)c1ccc(cn1)SC 62a_200000210301_200011781264 [0,1,0,0,0,0|2,1,0]=4 1542 B13R1.452 CCNC(=O)c1ccc(cn1)SC 62a_200011781264_200000210301 [0,1,0,0,0,0|2,1,0]=4 1543 B13R1.452 CCNC(=O)c1ccc(cn1)S[13CH3] 62a_200011781264_200025704644 [0,1,0,0,0,0|2,1,0]=4 1544 B13R1.452 CCNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_200011781264 [0,1,0,0,0,0|2,1,0]=4 1545 B13R1.452 CCNC(=O)c1ccc(nc1)NC 27a_100102657272_100000160145 [0,1,0,0,0,0|3,0,0]=4 1546 B13R1.452 CCNC(=O)c1ccc(nc1)SC 62a_100000160145_200000210301 [0,1,0,0,0,0|2,1,0]=4 1547 B13R1.452 CCNC(=O)c1ccc(nc1)SC 62a_200000210301_100000160145 [0,1,0,0,0,0|2,1,0]=4 1548 B13R1.452 CCNC(=O)c1ccc(nc1)S[13CH3] 62a_100000160145_200025704644 [0,1,0,0,0,0|2,1,0]=4 1549 B13R1.452 CCNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000160145 [0,1,0,0,0,0|2,1,0]=4 1550 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,1,0,0,0,0|2,0,1]=4 1551 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,1,0,0,0,0|2,0,1]=4 1552 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,1,0,0,0,0|0,0,0]=1 1553 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,1,0,0,0,0|0,0,0]=1 1554 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,1,0,0,0,0|0,0,0]=1 1555 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,1,0,0,0,0|0,0,0]=1 1556 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [0,1,0,0,0,0|0,1,0]=2 1557 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [0,1,0,0,0,0|0,1,0]=2 1558 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [0,1,0,0,0,0|0,1,0]=2 1559 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [0,1,0,0,0,0|0,1,0]=2 1560 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_100011781174_200000210301 [0,1,0,0,0,0|1,1,0]=3 1561 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_200000210301_100011781174 [0,1,0,0,0,0|1,1,0]=3 1562 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_100011781174_200025704644 [0,1,0,0,0,0|1,1,0]=3 1563 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781174 [0,1,0,0,0,0|1,1,0]=3 1564 B13R1.452 CCOC(=O)c1ccc(nc1)NC 27a_100102657272_100000170224 [0,1,0,0,0,0|2,0,0]=3 1565 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_100011291635_200000210301 [0,1,0,0,0,0|1,1,0]=3 1566 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_200000210301_100000170224 [0,1,0,0,0,0|1,1,0]=3 1567 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_100011291635_200025704644 [0,1,0,0,0,0|1,1,0]=3 1568 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000170224 [0,1,0,0,0,0|1,1,0]=3 1569 B13R1.452 CCOC(=O)c1ccc(nn1)NC 27a_100102657272_100011933454 [0,1,0,0,0,0|3,0,0]=4 1570 B13R1.452 CCOC(=O)c1ccc(nn1)SC 62a_200000210301_100011933454 [0,1,0,0,0,0|2,1,0]=4 1571 B13R1.452 CCOC(=O)c1ccc(nn1)S[13CH3] 62a_200025704644_100011933454 [0,1,0,0,0,0|2,1,0]=4 1572 B13R1.452 CCOC(=O)c1cnc(cn1)NC 27a_100102657272_100000707868 [0,1,0,0,0,0|3,0,0]=4 1573 B13R1.452 CCOC(=O)c1cnc(cn1)SC 62a_100000707868_200000210301 [0,1,0,0,0,0|2,1,0]=4 1574 B13R1.452 CCOC(=O)c1cnc(cn1)SC 62a_200000210301_100000707868 [0,1,0,0,0,0|2,1,0]=4 1575 B13R1.452 CCOC(=O)c1cnc(cn1)S[13CH3] 62a_100000707868_200025704644 [0,1,0,0,0,0|2,1,0]=4 1576 B13R1.452 CCOC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100000707868 [0,1,0,0,0,0|2,1,0]=4 1577 B13R1.452 CCOC(=O)c1cnc(nc1)NC 27a_100102657272_100011935661 [0,1,0,0,0,0|3,0,0]=4 1578 B13R1.452 CCOC(=O)c1cnc(nc1)SC 62a_200000210301_100011935661 [0,1,0,0,0,0|2,1,0]=4 1579 B13R1.452 CCOC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100011935661 [0,1,0,0,0,0|2,1,0]=4 1580 B13R1.452 CCOC(=O)c1ncc(cn1)SC 62a_100010168878_200000210301 [0,1,0,0,0,0|2,1,0]=4 1581 B13R1.452 CCOC(=O)c1ncc(cn1)SC 62a_200000210301_100010168878 [0,1,0,0,0,0|2,1,0]=4 1582 B13R1.452 CCOC(=O)c1ncc(cn1)S[13CH3] 62a_100010168878_200025704644 [0,1,0,0,0,0|2,1,0]=4 1583 B13R1.452 CCOC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010168878 [0,1,0,0,0,0|2,1,0]=4 1584 B13R1.452 CCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210202 [0,1,0,0,0,0|2,0,1]=4 1585 B13R1.452 CCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210202 [0,1,0,0,0,0|2,0,1]=4 1586 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,1,0,0,0,0|1,0,1]=3 1587 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,1,0,0,0,0|1,0,1]=3 1588 B13R1.452 CCc1ccc(cc1)C(=O)CC#N 1458a_100000211226_100011214920 [0,1,0,0,0,0|2,0,1]=4 1589 B13R1.452 CCc1ccc(cc1)C(=O)CCF 1458a_100000211226_100011217306 [0,1,0,0,0,0|2,0,0]=3 1590 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,1,0,0,0,0|2,0,0]=3 1591 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,1,0,0,0,0|2,0,0]=3 1592 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,1,0,0,0,0|2,0,0]=3 1593 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_100000689809_200000210301 [0,1,0,0,0,0|1,1,0]=3 1594 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_200000210301_100000689809 [0,1,0,0,0,0|1,1,0]=3 1595 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_100000689809_200025704644 [0,1,0,0,0,0|1,1,0]=3 1596 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000689809 [0,1,0,0,0,0|1,1,0]=3 1597 B13R1.452 CCc1ccc(cc1)C(=O)NNC 22a_100016993582_100000211226 [0,1,0,0,0,0|2,0,0]=3 1598 B13R1.452 CCc1ccc(cc1)C(C)OCF 34a_100011232672_100015361967 [0,1,0,0,0,0|2,0,1]=4 1599 B13R1.452 CCc1ccc(cc1)C(C)OCF 7a_100011232672_100015361967 [0,1,0,0,0,0|2,0,1]=4 1600 B13R1.452 CNCC(=O)c1ccc(cc1)C#N 2230a_106832991635_100000212069 [0,1,0,0,0,0|3,0,0]=4 1601 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,1,0,0,0,0|1,0,0]=2 1602 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,1,0,0,0,0|1,0,0]=2 1603 B13R1.452 CNCC(=O)c1ccc(cc1)SC 2230a_106832991635_100011216809 [0,1,0,0,0,0|1,1,0]=3 1604 B13R1.452 CNCC(=O)c1ccc(cc1)SC 34a_100102657272_100011216809 [0,1,0,0,0,0|1,1,0]=3 1605 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,1,0,0,0,0|1,0,2]=4 1606 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,1,0,0,0,0|1,0,2]=4 1607 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,1,0,0,0,0|1,0,2]=4 1608 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,1,0,0,0,0|1,0,2]=4 1609 B13R1.452 CNNC(=O)c1ccc(cc1)C#N 22a_100016993582_100000210717 [0,1,0,0,0,0|3,0,0]=4 1610 B13R1.452 CNNC(=O)c1ccc(cc1)CO 22a_100016993582_100000183892 [0,1,0,0,0,0|3,0,0]=4 1611 B13R1.452 CNNC(=O)c1ccc(cc1)OC 22a_100016993582_100000184203 [0,1,0,0,0,0|1,0,0]=2 1612 B13R1.452 CNNC(=O)c1ccc(cc1)SC 22a_100016993582_100000189692 [0,1,0,0,0,0|1,1,0]=3 1613 B13R1.452 COCC(=O)c1ccc(cc1)C#N 34a_100011592799_200000210301 [0,1,0,0,0,0|2,0,0]=3 1614 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,1,0,0,0,0|0,0,0]=1 1615 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,1,0,0,0,0|0,0,0]=1 1616 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,1,0,0,0,0|0,0,0]=1 1617 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,1,0,0,0,0|0,0,0]=1 1618 B13R1.452 COCC(=O)c1ccc(cc1)SC 34a_100138415774_100011216809 [0,1,0,0,0,0|0,1,0]=2 1619 B13R1.452 COCC(=O)c1ccc(cc1)SC 62a_200011343064_200000210301 [0,1,0,0,0,0|0,1,0]=2 1620 B13R1.452 COCC(=O)c1ccc(cc1)S[13CH3] 62a_200011343064_200025704644 [0,1,0,0,0,0|0,1,0]=2 1621 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,1,0,0,0,0|1,0,1]=3 1622 B13R1.452 COCN(C)c1ccc(cc1)OC 2230a_100000220023_100000766300 [0,1,0,0,0,0|2,0,0]=3 1623 B13R1.452 COCN(C)c1ccc(cc1)OC 269982a_100000220023_100000766300 [0,1,0,0,0,0|2,0,0]=3 1624 B13R1.452 COc1ccc(cc1)C(=O)CC#N 1458a_100000184203_100011214920 [0,1,0,0,0,0|1,0,1]=3 1625 B13R1.452 COc1ccc(cc1)C(=O)CC#N 7a_100009871544_200000210301 [0,1,0,0,0,0|1,0,1]=3 1626 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,1,0,0,0,0|1,0,0]=2 1627 B13R1.452 COc1ccc(cc1)C(=O)CCF 1458a_100000184203_100011217306 [0,1,0,0,0,0|1,0,0]=2 1628 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,1,0,0,0,0|1,0,0]=2 1629 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,1,0,0,0,0|0,1,0]=2 1630 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,1,0,0,0,0|0,1,0]=2 1631 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,1,0,0,0,0|0,1,0]=2 1632 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,1,0,0,0,0|0,1,0]=2 1633 B13R1.452 COc1ccc(cc1)C(C)OCF 34a_100000742907_100015361967 [0,1,0,0,0,0|1,0,1]=3 1634 B13R1.452 COc1ccc(cc1)C(C)OCF 7a_100000742907_100015361967 [0,1,0,0,0,0|1,0,1]=3 1635 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [0,1,0,0,0,0|1,0,1]=3 1636 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,1,0,0,0,0|1,0,2]=4 1637 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,1,0,0,0,0|1,0,2]=4 1638 B13R1.452 COc1ccc(cc1)N(C)CCF 2230a_100000220023_100011217306 [0,1,0,0,0,0|3,0,0]=4 1639 B13R1.452 COc1ccc(cc1)N(C)CCF 269982a_100000220023_100011217306 [0,1,0,0,0,0|3,0,0]=4 1640 B13R1.452 COc1ccc(cc1)N(C)CCF 34a_100000220023_100011217306 [0,1,0,0,0,0|3,0,0]=4 1641 B13R1.452 COc1ccc(cc1)N(C)CCO 2230a_100000220023_100000211926 [0,1,0,0,0,0|3,0,0]=4 1642 B13R1.452 COc1ccc(cc1)N(C)CCO 269982a_100000220023_100000211926 [0,1,0,0,0,0|3,0,0]=4 1643 B13R1.452 COc1ccc(cc1)N(C)CCO 34a_100000220023_100000211926 [0,1,0,0,0,0|3,0,0]=4 1644 B13R1.452 COc1ccc(cc1)N(C)CSC 2230a_100000220023_100011218213 [0,1,0,0,0,0|2,1,0]=4 1645 B13R1.452 COc1ccc(cc1)N(C)CSC 269982a_100000220023_100011218213 [0,1,0,0,0,0|2,1,0]=4 1646 B13R1.452 COc1ccc(cc1)N(C)CSC 34a_100000220023_100011218213 [0,1,0,0,0,0|2,1,0]=4 1647 B13R1.452 CSCC(=O)c1ccc(cc1)C#N 62a_100000212069_200000210301 [0,1,0,0,0,0|2,1,0]=4 1648 B13R1.452 CSCC(=O)c1ccc(cc1)C#N 62a_200000210301_100000212069 [0,1,0,0,0,0|2,1,0]=4 1649 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_100011216809_200000210301 [0,1,0,0,0,0|0,2,0]=3 1650 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_200000210301_100011216809 [0,1,0,0,0,0|0,2,0]=3 1651 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 1458a_100000189692_100011214920 [0,1,0,0,0,0|1,1,1]=4 1652 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 62a_100000740217_200000210301 [0,1,0,0,0,0|1,1,1]=4 1653 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 62a_200000210301_100000740217 [0,1,0,0,0,0|1,1,1]=4 1654 B13R1.452 CSc1ccc(cc1)C(=O)CCF 1458a_100000189692_100011217306 [0,1,0,0,0,0|1,1,0]=3 1655 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,1,0,0,0,0|1,1,0]=3 1656 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_100011216809_200025704644 [0,1,0,0,0,0|0,2,0]=3 1657 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100011216809 [0,1,0,0,0,0|0,2,0]=3 1658 B13R1.452 N#Cc1ccc(cc1)C(=O)CCF 1458a_100000210717_100011217306 [0,1,0,0,0,0|3,0,0]=4 1659 B13R1.452 N#Cc1ccc(cc1)C(=O)CCO 1458a_100000210717_100000211926 [0,1,0,0,0,0|3,0,0]=4 1660 B13R1.452 O=C(CCF)c1ccc(cc1)CO 1458a_100000183892_100011217306 [0,1,0,0,0,0|3,0,0]=4 1661 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,1,0,0,0,0|3,0,0]=4 1662 B13R1.452 [13CH3]OCC(=O)c1ccc(cc1)C#N 34a_100011592799_200025704644 [0,1,0,0,0,0|2,0,0]=3 1663 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CC#N 7a_100009871544_200025704644 [0,1,0,0,0,0|1,0,1]=3 1664 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,1,0,0,0,0|1,0,0]=2 1665 B13R1.452 [13CH3]SCC(=O)c1ccc(cc1)C#N 62a_100000212069_200025704644 [0,1,0,0,0,0|2,1,0]=4 1666 B13R1.452 [13CH3]SCC(=O)c1ccc(cc1)C#N 62a_200025704644_100000212069 [0,1,0,0,0,0|2,1,0]=4 1667 B13R1.452 [13CH3]Sc1ccc(cc1)C(=O)CC#N 62a_100000740217_200025704644 [0,1,0,0,0,0|1,1,1]=4 1668 B13R1.452 [13CH3]Sc1ccc(cc1)C(=O)CC#N 62a_200025704644_100000740217 [0,1,0,0,0,0|1,1,1]=4 1669 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C#N 271570a_100000694244_100009994572 [0,1,0,0,0,0|3,0,0]=4 1670 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C=O 271570a_100000694244_100000725942 [0,1,0,0,0,0|3,0,0]=4 1671 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 1458a_200009908186_100000210202 [0,1,0,0,0,0|2,0,0]=3 1672 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 271570a_100000694244_100000211647 [0,1,0,0,0,0|2,0,0]=3 1673 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CF 1458a_200009908186_100015361967 [0,1,0,0,0,0|3,0,0]=4 1674 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CN 271570a_100000694244_100000017248 [0,1,0,0,0,0|3,0,0]=4 1675 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CO 271570a_100000694244_100011219529 [0,1,0,0,0,0|3,0,0]=4 1676 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 11a_106832991635_200009908186 [0,1,0,0,0,0|2,0,0]=3 1677 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 1626a_100102657272_200009908186 [0,1,0,0,0,0|2,0,0]=3 1678 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 240690a_100102657272_200009908186 [0,1,0,0,0,0|2,0,0]=3 1679 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 271570a_100000694244_100000155074 [0,1,0,0,0,0|2,0,0]=3 1680 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 527a_100102657272_200009908186 [0,1,0,0,0,0|2,0,0]=3 1681 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NN 271570a_100000694244_100000183614 [0,1,0,0,0,0|3,0,0]=4 1682 B13R1.537 C=C(C)c1ccc(cc1)C(=O)OC 271570a_100000694244_100000150774 [0,1,0,0,0,0|1,0,0]=2 1683 B13R1.537 C=C(C)c1ccc(cc1)C(C)OC 271570a_100000694244_100010254937 [0,1,0,0,0,0|2,0,1]=4 1684 B13R1.537 C=C(C)c1ccc(cn1)C(=O)NC 271570a_100000694244_100000159860 [0,1,0,0,0,0|3,0,0]=4 1685 B13R1.537 C=C(C)c1ccc(cn1)C(=O)OC 271570a_100000694244_100000733799 [0,1,0,0,0,0|2,0,0]=3 1686 B13R1.537 C=C(C)c1ccc(nc1)C(=O)CC 271570a_100000694244_100012351654 [0,1,0,0,0,0|3,0,0]=4 1687 B13R1.537 C=C(C)c1ccc(nc1)C(=O)NC 271570a_100000694244_100011781262 [0,1,0,0,0,0|3,0,0]=4 1688 B13R1.537 C=C(C)c1ccc(nc1)C(=O)OC 271570a_100000694244_100000690920 [0,1,0,0,0,0|2,0,0]=3 1689 B13R1.537 C=C(C)c1ccc(nn1)C(=O)OC 271570a_100000694244_100009816182 [0,1,0,0,0,0|3,0,0]=4 1690 B13R1.537 C=C(C)c1cnc(cn1)C(=O)OC 271570a_100000694244_100010219404 [0,1,0,0,0,0|3,0,0]=4 1691 B13R1.537 C=C(C)c1cnc(nc1)C(=O)OC 271570a_100000694244_100000690087 [0,1,0,0,0,0|3,0,0]=4 1692 B13R1.537 C=C(C)c1ncc(cn1)C(=O)OC 271570a_100000694244_100000729365 [0,1,0,0,0,0|3,0,0]=4 1693 B13R1.537 CC(C)c1ccc(cc1)C(=O)CF 1458a_100000210772_100015361967 [0,1,0,0,0,0|3,0,0]=4 1694 B13R1.537 CC(O)c1ccc(cc1)C(=O)CF 1458a_100000076921_100015361967 [0,1,0,0,0,0|3,0,0]=4 1695 B13R1.537 CCC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_100000210202 [0,1,0,0,0,0|3,0,0]=4 1696 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210202 [0,1,0,0,0,0|2,0,0]=3 1697 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,1,0,0,0,0|2,0,0]=3 1698 B13R1.537 CCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100000210202 [0,1,0,0,0,0|3,0,0]=4 1699 B13R1.537 CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210202 [0,1,0,0,0,0|2,0,0]=3 1700 B13R1.537 CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210202 [0,1,0,0,0,0|1,1,0]=3 1701 B13R1.537 CCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210202 [0,1,0,0,0,0|3,0,0]=4 1702 B13R1.537 CN(C)c1ccc(cc1)C(=O)CF 1458a_100000210873_100015361967 [0,1,0,0,0,0|3,0,0]=4 1703 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN 27a_100102631434_100000183614 [0,1,0,0,0,0|3,0,0]=4 1704 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)C 1458a_100011298788_200000210301 [0,1,0,0,0,0|2,0,0]=3 1705 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 11a_106832991635_100000230133 [0,1,0,0,0,0|3,0,0]=4 1706 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 1626a_100102657272_100000230133 [0,1,0,0,0,0|3,0,0]=4 1707 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 240690a_100102657272_100000230133 [0,1,0,0,0,0|3,0,0]=4 1708 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100011298788_200025704644 [0,1,0,0,0,0|2,0,0]=3 1709 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 11a_106832991635_100000210772 [0,1,0,0,0,0|2,0,0]=3 1710 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 1626a_100102657272_100000210772 [0,1,0,0,0,0|2,0,0]=3 1711 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 240690a_100102657272_100000210772 [0,1,0,0,0,0|2,0,0]=3 1712 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 527a_100102657272_100000210772 [0,1,0,0,0,0|2,0,0]=3 1713 B13R1.537 CNC(=O)c1ccc(cc1)C(C)O 240690a_100102657272_100000076921 [0,1,0,0,0,0|2,0,0]=3 1714 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 11a_106832991635_100011735500 [0,1,0,0,0,0|3,0,0]=4 1715 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 1626a_100102657272_100011735500 [0,1,0,0,0,0|3,0,0]=4 1716 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 240690a_100102657272_100011735500 [0,1,0,0,0,0|3,0,0]=4 1717 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 527a_100102657272_100011735500 [0,1,0,0,0,0|3,0,0]=4 1718 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 11a_106832991635_100000210873 [0,1,0,0,0,0|2,0,0]=3 1719 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 1626a_100102657272_100000210873 [0,1,0,0,0,0|2,0,0]=3 1720 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 240690a_100102657272_100000210873 [0,1,0,0,0,0|2,0,0]=3 1721 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 27a_100102631434_100000155074 [0,1,0,0,0,0|2,0,0]=3 1722 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 527a_100102657272_100000210873 [0,1,0,0,0,0|2,0,0]=3 1723 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 1626a_100102657272_200000217594 [0,1,0,0,0,0|1,1,0]=3 1724 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 240690a_100102657272_200000217594 [0,1,0,0,0,0|1,1,0]=3 1725 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 527a_100102657272_200000217594 [0,1,0,0,0,0|1,1,0]=3 1726 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 11a_106832991635_100000185811 [0,1,0,0,0,0|3,0,0]=4 1727 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 1626a_100102657272_100000185811 [0,1,0,0,0,0|3,0,0]=4 1728 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100102657272_100000185811 [0,1,0,0,0,0|3,0,0]=4 1729 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100102657272_100000185811 [0,1,0,0,0,0|3,0,0]=4 1730 B13R1.537 CNC(=O)c1ccc(cn1)N(C)C 27a_100102631434_100011781262 [0,1,0,0,0,0|3,0,0]=4 1731 B13R1.537 CNC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000159860 [0,1,0,0,0,0|3,0,0]=4 1732 B13R1.537 COC(=O)c1ccc(cc1)C(=O)C 1458a_100000211811_200000210301 [0,1,0,0,0,0|1,0,0]=2 1733 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000211811_200025704644 [0,1,0,0,0,0|1,0,0]=2 1734 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 2230a_100000220287_200000210301 [0,1,0,0,0,0|1,0,0]=2 1735 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 269982a_100000220287_200000210301 [0,1,0,0,0,0|1,0,0]=2 1736 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 34a_100000220287_200000210301 [0,1,0,0,0,0|1,0,0]=2 1737 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 2230a_100000220287_200025704644 [0,1,0,0,0,0|1,0,0]=2 1738 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 269982a_100000220287_200025704644 [0,1,0,0,0,0|1,0,0]=2 1739 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 34a_100000220287_200025704644 [0,1,0,0,0,0|1,0,0]=2 1740 B13R1.537 COC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000733799 [0,1,0,0,0,0|2,0,0]=3 1741 B13R1.537 COC(=O)c1ccc(nn1)N(C)C 27a_100102631434_100000738951 [0,1,0,0,0,0|3,0,0]=4 1742 B13R1.537 COC(=O)c1cnc(cn1)N(C)C 27a_100102631434_100010219404 [0,1,0,0,0,0|3,0,0]=4 1743 B13R1.537 COC(=O)c1cnc(nc1)N(C)C 27a_100102631434_100000729365 [0,1,0,0,0,0|3,0,0]=4 1744 B13R1.537 CS(=O)c1ccc(cc1)C(=O)CF 1458a_200000217594_100015361967 [0,1,0,0,0,0|2,1,0]=4 1745 B13R1.3088 C#Cc1ccc(cc1C)C(=O)CC 1458a_100013243528_100000210202 [0,1,0,0,0,0|2,0,1]=4 1746 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 11a_106832991635_100013243528 [0,1,0,0,0,0|2,0,1]=4 1747 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 1626a_100102657272_100013243528 [0,1,0,0,0,0|2,0,1]=4 1748 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 527a_100102657272_100013243528 [0,1,0,0,0,0|2,0,1]=4 1749 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)CC 1458a_100014797261_100000210202 [0,1,0,0,0,0|2,0,1]=4 1750 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 11a_106832991635_100014797261 [0,1,0,0,0,0|2,0,1]=4 1751 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 1626a_100102657272_100014797261 [0,1,0,0,0,0|2,0,1]=4 1752 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 527a_100102657272_100014797261 [0,1,0,0,0,0|2,0,1]=4 1753 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,1,0,0,0,0|1,0,1]=3 1754 B13R1.3088 C=Cc1ccc(cc1C)C(=O)CC 271570a_100011290941_200012349626 [0,1,0,0,0,0|2,0,1]=4 1755 B13R1.3088 C=Cc1ccc(cc1C)C(=O)NC 271570a_100011290941_200013065384 [0,1,0,0,0,0|2,0,1]=4 1756 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,1,0,0,0,0|1,0,1]=3 1757 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,1,0,0,0,0|1,0,1]=3 1758 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,1,0,0,0,0|1,0,1]=3 1759 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,1,0,0,0,0|1,0,1]=3 1760 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,1,0,0,0,0|1,0,1]=3 1761 B13R1.3088 C=Cc1ccc(nc1C)C(=O)OC 271570a_100011290941_100010207261 [0,1,0,0,0,0|2,0,1]=4 1762 B13R1.3088 C=Cc1ccc(nc1F)C(=O)OC 271570a_100011290941_100010189630 [0,1,0,0,0,0|2,0,1]=4 1763 B13R1.3088 C=Cc1ccc(nc1N)C(=O)OC 271570a_100011290941_100010187631 [0,1,0,0,0,0|2,0,1]=4 1764 B13R1.3088 C=Cc1ccc(nc1O)C(=O)OC 271570a_100011290941_100010189637 [0,1,0,0,0,0|2,0,1]=4 1765 B13R1.3088 C=Cc1cnc(cc1C)C(=O)OC 271570a_100011290941_100010080863 [0,1,0,0,0,0|2,0,1]=4 1766 B13R1.3088 C=Cc1cnc(cc1N)C(=O)OC 271570a_100011290941_100016001589 [0,1,0,0,0,0|2,0,1]=4 1767 B13R1.3088 C=Cc1ncc(cc1Br)C(=O)OC 271570a_100011290941_100010114297 [0,1,0,0,0,0|2,0,1]=4 1768 B13R1.3088 C=Cc1ncc(cc1C)C(=O)OC 271570a_100011290941_100009862495 [0,1,0,0,0,0|2,0,1]=4 1769 B13R1.3088 C=Cc1ncc(cc1F)C(=O)OC 271570a_100011290941_100010189625 [0,1,0,0,0,0|2,0,1]=4 1770 B13R1.3088 C=Cc1ncc(cc1N)C(=O)OC 271570a_100011290941_100000079130 [0,1,0,0,0,0|2,0,1]=4 1771 B13R1.3088 C=Cc1ncc(cc1O)C(=O)OC 271570a_100011290941_100010999399 [0,1,0,0,0,0|2,0,1]=4 1772 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_100000210202 [0,1,0,0,0,0|3,0,0]=4 1773 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210202 [0,1,0,0,0,0|2,0,0]=3 1774 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [0,1,0,0,0,0|1,0,0]=2 1775 B13R1.3088 CCC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_100000210202 [0,1,0,0,0,0|3,0,0]=4 1776 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [0,1,0,0,0,0|1,0,0]=2 1777 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012349626 [0,1,0,0,0,0|1,1,0]=3 1778 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200012349626_200000210301 [0,1,0,0,0,0|1,1,0]=3 1779 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012349626_200025704644 [0,1,0,0,0,0|1,1,0]=3 1780 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012349626 [0,1,0,0,0,0|1,1,0]=3 1781 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_100000210202 [0,1,0,0,0,0|3,0,0]=4 1782 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [0,1,0,0,0,0|1,0,0]=2 1783 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [0,1,0,0,0,0|1,0,0]=2 1784 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [0,1,0,0,0,0|1,0,0]=2 1785 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [0,1,0,0,0,0|1,0,0]=2 1786 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [0,1,0,0,0,0|1,0,0]=2 1787 B13R1.3088 CCC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_100000210202 [0,1,0,0,0,0|3,0,0]=4 1788 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [0,1,0,0,0,0|3,0,0]=4 1789 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [0,1,0,0,0,0|1,0,0]=2 1790 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [0,1,0,0,0,0|1,0,0]=2 1791 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [0,1,0,0,0,0|2,0,0]=3 1792 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [0,1,0,0,0,0|1,0,0]=2 1793 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 269982a_114948341033_100000204670 [0,1,0,0,0,0|3,0,0]=4 1794 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 34a_114948341033_100000210202 [0,1,0,0,0,0|3,0,0]=4 1795 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 38a_114948341033_100000204670 [0,1,0,0,0,0|3,0,0]=4 1796 B13R1.3088 CCc1ccc(cc1Br)C(=O)CF 1458a_100012340589_100015361967 [0,1,0,0,0,0|3,0,0]=4 1797 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 11a_106832991635_100012340589 [0,1,0,0,0,0|2,0,0]=3 1798 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100012340589 [0,1,0,0,0,0|2,0,0]=3 1799 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100012340589 [0,1,0,0,0,0|2,0,0]=3 1800 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 527a_100102657272_100012340589 [0,1,0,0,0,0|2,0,0]=3 1801 B13R1.3088 CCc1ccc(cc1O)C(=O)CF 1458a_100000089006_100015361967 [0,1,0,0,0,0|3,0,0]=4 1802 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [0,1,0,0,0,0|2,0,0]=3 1803 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [0,1,0,0,0,0|2,0,0]=3 1804 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,1,0,0,0,0|1,0,0]=2 1805 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 11a_106832991635_100012355661 [0,1,0,0,0,0|3,0,0]=4 1806 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 1626a_100102657272_100012355661 [0,1,0,0,0,0|3,0,0]=4 1807 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 240690a_100102657272_100012355661 [0,1,0,0,0,0|3,0,0]=4 1808 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 527a_100102657272_100012355661 [0,1,0,0,0,0|3,0,0]=4 1809 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [0,1,0,0,0,0|1,0,0]=2 1810 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [0,1,0,0,0,0|1,0,0]=2 1811 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [0,1,0,0,0,0|1,0,0]=2 1812 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [0,1,0,0,0,0|1,0,0]=2 1813 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 11a_106832991635_100012180287 [0,1,0,0,0,0|3,0,0]=4 1814 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 1626a_100102657272_100012180287 [0,1,0,0,0,0|3,0,0]=4 1815 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 240690a_100102657272_100012180287 [0,1,0,0,0,0|3,0,0]=4 1816 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 527a_100102657272_100012180287 [0,1,0,0,0,0|3,0,0]=4 1817 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 2230a_100000739472_200000210301 [0,1,0,0,0,0|2,0,0]=3 1818 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 27a_100102657272_200013065384 [0,1,0,0,0,0|2,0,0]=3 1819 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 34a_100000739472_200000210301 [0,1,0,0,0,0|2,0,0]=3 1820 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 7a_100000739472_200000210301 [0,1,0,0,0,0|2,0,0]=3 1821 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 2230a_100000739472_200025704644 [0,1,0,0,0,0|2,0,0]=3 1822 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 34a_100000739472_200025704644 [0,1,0,0,0,0|2,0,0]=3 1823 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 7a_100000739472_200025704644 [0,1,0,0,0,0|2,0,0]=3 1824 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [0,1,0,0,0,0|1,0,0]=2 1825 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [0,1,0,0,0,0|1,0,0]=2 1826 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [0,1,0,0,0,0|1,0,0]=2 1827 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [0,1,0,0,0,0|1,0,0]=2 1828 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200013065384 [0,1,0,0,0,0|1,1,0]=3 1829 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200013065384_200000210301 [0,1,0,0,0,0|1,1,0]=3 1830 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200013065384_200025704644 [0,1,0,0,0,0|1,1,0]=3 1831 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200013065384 [0,1,0,0,0,0|1,1,0]=3 1832 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 11a_106832991635_100000694585 [0,1,0,0,0,0|3,0,0]=4 1833 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 1626a_100102657272_100000694585 [0,1,0,0,0,0|3,0,0]=4 1834 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 527a_100102657272_100000694585 [0,1,0,0,0,0|3,0,0]=4 1835 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [0,1,0,0,0,0|1,0,0]=2 1836 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [0,1,0,0,0,0|1,0,0]=2 1837 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [0,1,0,0,0,0|1,0,0]=2 1838 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [0,1,0,0,0,0|1,0,0]=2 1839 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 11a_106832991635_100011217213 [0,1,0,0,0,0|3,0,0]=4 1840 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 1626a_100102657272_100011217213 [0,1,0,0,0,0|3,0,0]=4 1841 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 527a_100102657272_100011217213 [0,1,0,0,0,0|3,0,0]=4 1842 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [0,1,0,0,0,0|3,0,0]=4 1843 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [0,1,0,0,0,0|3,0,0]=4 1844 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [0,1,0,0,0,0|1,0,0]=2 1845 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [0,1,0,0,0,0|1,0,0]=2 1846 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [0,1,0,0,0,0|1,0,0]=2 1847 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [0,1,0,0,0,0|1,0,0]=2 1848 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [0,1,0,0,0,0|1,0,0]=2 1849 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [0,1,0,0,0,0|1,0,0]=2 1850 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [0,1,0,0,0,0|1,0,0]=2 1851 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [0,1,0,0,0,0|1,0,0]=2 1852 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [0,1,0,0,0,0|1,0,0]=2 1853 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [0,1,0,0,0,0|1,0,0]=2 1854 B13R1.3088 CNC(C)c1ccc(c(c1)Br)OC 269862a_106832991636_100000185153 [0,1,0,0,0,0|2,0,1]=4 1855 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [0,1,0,0,0,0|2,0,1]=4 1856 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [0,1,0,0,0,0|2,0,1]=4 1857 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [0,1,0,0,0,0|2,0,1]=4 1858 B13R1.3088 CNC(C)c1ccc(c(c1)Cl)OC 269862a_106832991636_100000742349 [0,1,0,0,0,0|2,0,1]=4 1859 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 2230a_100000204609_200000210301 [0,1,0,0,0,0|2,0,1]=4 1860 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 269862a_106832991636_100000195443 [0,1,0,0,0,0|2,0,1]=4 1861 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 34a_100000204609_200000210301 [0,1,0,0,0,0|2,0,1]=4 1862 B13R1.3088 CNC(C)c1ccc(c(c1)I)OC 269862a_106832991636_100000039561 [0,1,0,0,0,0|2,0,1]=4 1863 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [0,1,0,0,0,0|2,0,1]=4 1864 B13R1.3088 CNc1ccc(cc1C)C(=O)NN 27a_100102657272_100012339724 [0,1,0,0,0,0|3,0,0]=4 1865 B13R1.3088 CNc1ccc(nc1F)C(=O)OC 27a_100102657272_100010189630 [0,1,0,0,0,0|2,0,0]=3 1866 B13R1.3088 CNc1ncc(cc1Br)C(=O)OC 27a_100102657272_100010114297 [0,1,0,0,0,0|2,0,0]=3 1867 B13R1.3088 CNc1ncc(cc1C)C(=O)OC 27a_100102657272_100009862495 [0,1,0,0,0,0|2,0,0]=3 1868 B13R1.3088 CNc1ncc(cc1F)C(=O)OC 27a_100102657272_100009877320 [0,1,0,0,0,0|2,0,0]=3 1869 B13R1.3088 CNc1ncc(cc1N)C(=O)OC 27a_100102657272_100000079130 [0,1,0,0,0,0|2,0,0]=3 1870 B13R1.3088 CNc1ncc(nc1C)C(=O)OC 27a_100102657272_100000109192 [0,1,0,0,0,0|3,0,0]=4 1871 B13R1.3088 CNc1nnc(cc1C)C(=O)OC 27a_100102657272_100102422153 [0,1,0,0,0,0|3,0,0]=4 1872 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [0,1,0,0,0,0|1,0,0]=2 1873 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_100010080863_200000210301 [0,1,0,0,0,0|1,1,0]=3 1874 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_200000210301_100010080863 [0,1,0,0,0,0|1,1,0]=3 1875 B13R1.3088 COC(=O)c1cc(c(cn1)SC)N 62a_100016001589_200000210301 [0,1,0,0,0,0|1,1,0]=3 1876 B13R1.3088 COC(=O)c1cc(c(cn1)SC)N 62a_200000210301_100016001589 [0,1,0,0,0,0|1,1,0]=3 1877 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_100010080863_200025704644 [0,1,0,0,0,0|1,1,0]=3 1878 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100010080863 [0,1,0,0,0,0|1,1,0]=3 1879 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])N 62a_100016001589_200025704644 [0,1,0,0,0,0|1,1,0]=3 1880 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])N 62a_200025704644_100016001589 [0,1,0,0,0,0|1,1,0]=3 1881 B13R1.3088 COC(=O)c1cc(c(nn1)SC)C 62a_100102422153_200000210301 [0,1,0,0,0,0|2,1,0]=4 1882 B13R1.3088 COC(=O)c1cc(c(nn1)SC)C 62a_200000210301_100102422153 [0,1,0,0,0,0|2,1,0]=4 1883 B13R1.3088 COC(=O)c1cc(c(nn1)S[13CH3])C 62a_100102422153_200025704644 [0,1,0,0,0,0|2,1,0]=4 1884 B13R1.3088 COC(=O)c1cc(c(nn1)S[13CH3])C 62a_200025704644_100102422153 [0,1,0,0,0,0|2,1,0]=4 1885 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,1,0,0,0,0|0,0,0]=1 1886 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,1,0,0,0,0|0,0,0]=1 1887 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,1,0,0,0,0|0,0,0]=1 1888 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,1,0,0,0,0|0,0,0]=1 1889 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [0,1,0,0,0,0|0,1,0]=2 1890 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [0,1,0,0,0,0|0,1,0]=2 1891 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [0,1,0,0,0,0|0,1,0]=2 1892 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [0,1,0,0,0,0|0,1,0]=2 1893 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,1,0,0,0,0|0,0,0]=1 1894 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,1,0,0,0,0|0,0,0]=1 1895 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,1,0,0,0,0|0,0,0]=1 1896 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,1,0,0,0,0|0,0,0]=1 1897 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [0,1,0,0,0,0|0,1,0]=2 1898 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [0,1,0,0,0,0|0,1,0]=2 1899 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [0,1,0,0,0,0|0,1,0]=2 1900 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [0,1,0,0,0,0|0,1,0]=2 1901 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,1,0,0,0,0|0,0,0]=1 1902 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,1,0,0,0,0|0,0,0]=1 1903 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,1,0,0,0,0|0,0,0]=1 1904 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,1,0,0,0,0|0,0,0]=1 1905 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [0,1,0,0,0,0|0,1,0]=2 1906 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [0,1,0,0,0,0|0,1,0]=2 1907 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [0,1,0,0,0,0|0,1,0]=2 1908 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [0,1,0,0,0,0|0,1,0]=2 1909 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,1,0,0,0,0|0,0,0]=1 1910 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,1,0,0,0,0|0,0,0]=1 1911 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,1,0,0,0,0|0,0,0]=1 1912 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,1,0,0,0,0|0,0,0]=1 1913 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [0,1,0,0,0,0|0,1,0]=2 1914 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [0,1,0,0,0,0|0,1,0]=2 1915 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [0,1,0,0,0,0|0,1,0]=2 1916 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [0,1,0,0,0,0|0,1,0]=2 1917 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,1,0,0,0,0|0,0,0]=1 1918 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,1,0,0,0,0|0,0,0]=1 1919 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,1,0,0,0,0|0,0,0]=1 1920 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,1,0,0,0,0|0,0,0]=1 1921 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,1,0,0,0,0|0,0,0]=1 1922 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,1,0,0,0,0|0,0,0]=1 1923 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,1,0,0,0,0|0,0,0]=1 1924 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,1,0,0,0,0|0,0,0]=1 1925 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [0,1,0,0,0,0|0,1,0]=2 1926 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [0,1,0,0,0,0|0,1,0]=2 1927 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [0,1,0,0,0,0|0,1,0]=2 1928 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [0,1,0,0,0,0|0,1,0]=2 1929 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,1,0,0,0,0|2,0,0]=3 1930 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,1,0,0,0,0|2,0,0]=3 1931 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,1,0,0,0,0|2,0,0]=3 1932 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,1,0,0,0,0|0,0,0]=1 1933 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,1,0,0,0,0|0,1,0]=2 1934 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,1,0,0,0,0|0,1,0]=2 1935 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,1,0,0,0,0|0,1,0]=2 1936 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,1,0,0,0,0|0,1,0]=2 1937 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 34a_200009815348_200000210301 [0,1,0,0,0,0|1,0,0]=2 1938 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 7a_200009815348_200000210301 [0,1,0,0,0,0|1,0,0]=2 1939 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 34a_200009815348_200025704644 [0,1,0,0,0,0|1,0,0]=2 1940 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 7a_200009815348_200025704644 [0,1,0,0,0,0|1,0,0]=2 1941 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_100010207261_200000210301 [0,1,0,0,0,0|1,1,0]=3 1942 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_200000210301_100010207261 [0,1,0,0,0,0|1,1,0]=3 1943 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_100010207261_200025704644 [0,1,0,0,0,0|1,1,0]=3 1944 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_200025704644_100010207261 [0,1,0,0,0,0|1,1,0]=3 1945 B13R1.3088 COC(=O)c1ccc(c(n1)F)SC 62a_100010189630_200000210301 [0,1,0,0,0,0|1,1,0]=3 1946 B13R1.3088 COC(=O)c1ccc(c(n1)F)SC 62a_200000210301_100010189630 [0,1,0,0,0,0|1,1,0]=3 1947 B13R1.3088 COC(=O)c1ccc(c(n1)F)S[13CH3] 62a_100010189630_200025704644 [0,1,0,0,0,0|1,1,0]=3 1948 B13R1.3088 COC(=O)c1ccc(c(n1)F)S[13CH3] 62a_200025704644_100010189630 [0,1,0,0,0,0|1,1,0]=3 1949 B13R1.3088 COC(=O)c1ccc(c(n1)N)SC 62a_100010187631_200000210301 [0,1,0,0,0,0|1,1,0]=3 1950 B13R1.3088 COC(=O)c1ccc(c(n1)N)S[13CH3] 62a_100010187631_200025704644 [0,1,0,0,0,0|1,1,0]=3 1951 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [0,1,0,0,0,0|1,0,0]=2 1952 B13R1.3088 COC(=O)c1ccc(c(n1)O)SC 62a_200000210301_100010189637 [0,1,0,0,0,0|1,1,0]=3 1953 B13R1.3088 COC(=O)c1ccc(c(n1)O)S[13CH3] 62a_200025704644_100010189637 [0,1,0,0,0,0|1,1,0]=3 1954 B13R1.3088 COC(=O)c1cnc(c(c1)Br)OC 34a_100015192546_200000210301 [0,1,0,0,0,0|1,0,0]=2 1955 B13R1.3088 COC(=O)c1cnc(c(c1)Br)O[13CH3] 34a_100015192546_200025704644 [0,1,0,0,0,0|1,0,0]=2 1956 B13R1.3088 COC(=O)c1cnc(c(c1)Br)SC 62a_100010114297_200000210301 [0,1,0,0,0,0|1,1,0]=3 1957 B13R1.3088 COC(=O)c1cnc(c(c1)Br)SC 62a_200000210301_100010114297 [0,1,0,0,0,0|1,1,0]=3 1958 B13R1.3088 COC(=O)c1cnc(c(c1)Br)S[13CH3] 62a_100010114297_200025704644 [0,1,0,0,0,0|1,1,0]=3 1959 B13R1.3088 COC(=O)c1cnc(c(c1)Br)S[13CH3] 62a_200025704644_100010114297 [0,1,0,0,0,0|1,1,0]=3 1960 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200000210301_100009862495 [0,1,0,0,0,0|1,1,0]=3 1961 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200010136688_200000210301 [0,1,0,0,0,0|1,1,0]=3 1962 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200010136688_200025704644 [0,1,0,0,0,0|1,1,0]=3 1963 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009862495 [0,1,0,0,0,0|1,1,0]=3 1964 B13R1.3088 COC(=O)c1cnc(c(c1)F)SC 62a_100010189625_200000210301 [0,1,0,0,0,0|1,1,0]=3 1965 B13R1.3088 COC(=O)c1cnc(c(c1)F)SC 62a_200000210301_100010189625 [0,1,0,0,0,0|1,1,0]=3 1966 B13R1.3088 COC(=O)c1cnc(c(c1)F)S[13CH3] 62a_100010189625_200025704644 [0,1,0,0,0,0|1,1,0]=3 1967 B13R1.3088 COC(=O)c1cnc(c(c1)F)S[13CH3] 62a_200025704644_100010189625 [0,1,0,0,0,0|1,1,0]=3 1968 B13R1.3088 COC(=O)c1cnc(c(c1)N)SC 62a_200000210301_100000079130 [0,1,0,0,0,0|1,1,0]=3 1969 B13R1.3088 COC(=O)c1cnc(c(c1)N)S[13CH3] 62a_200025704644_100000079130 [0,1,0,0,0,0|1,1,0]=3 1970 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [0,1,0,0,0,0|1,0,0]=2 1971 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_100010999399_200000210301 [0,1,0,0,0,0|1,1,0]=3 1972 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010999399 [0,1,0,0,0,0|1,1,0]=3 1973 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_100010999399_200025704644 [0,1,0,0,0,0|1,1,0]=3 1974 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010999399 [0,1,0,0,0,0|1,1,0]=3 1975 B13R1.3088 COC(=O)c1cnc(c(n1)C)SC 62a_100000109192_200000210301 [0,1,0,0,0,0|2,1,0]=4 1976 B13R1.3088 COC(=O)c1cnc(c(n1)C)SC 62a_200000210301_100000109192 [0,1,0,0,0,0|2,1,0]=4 1977 B13R1.3088 COC(=O)c1cnc(c(n1)C)S[13CH3] 62a_100000109192_200025704644 [0,1,0,0,0,0|2,1,0]=4 1978 B13R1.3088 COC(=O)c1cnc(c(n1)C)S[13CH3] 62a_200025704644_100000109192 [0,1,0,0,0,0|2,1,0]=4 1979 B13R1.3088 COc1ccc(cc1Br)C(=O)CF 1458a_100000187947_100015361967 [0,1,0,0,0,0|2,0,0]=3 1980 B13R1.3088 COc1ccc(cc1Br)C(C)OC 34a_100000246541_200000210301 [0,1,0,0,0,0|1,0,1]=3 1981 B13R1.3088 COc1ccc(cc1Br)C(C)OC 7a_100000246541_200000210301 [0,1,0,0,0,0|1,0,1]=3 1982 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 34a_100000246541_200025704644 [0,1,0,0,0,0|1,0,1]=3 1983 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 7a_100000246541_200025704644 [0,1,0,0,0,0|1,0,1]=3 1984 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [0,1,0,0,0,0|2,0,0]=3 1985 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [0,1,0,0,0,0|2,0,1]=4 1986 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [0,1,0,0,0,0|2,0,1]=4 1987 B13R1.3088 COc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200000210301 [0,1,0,0,0,0|2,0,0]=3 1988 B13R1.3088 COc1ccc(cc1Cl)C(=O)CF 1458a_100000188346_100015361967 [0,1,0,0,0,0|2,0,0]=3 1989 B13R1.3088 COc1ccc(cc1F)C(=O)CF 1458a_100000186160_100015361967 [0,1,0,0,0,0|2,0,0]=3 1990 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 2230a_100000204609_200025704644 [0,1,0,0,0,0|2,0,1]=4 1991 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 34a_100000204609_200025704644 [0,1,0,0,0,0|2,0,1]=4 1992 B13R1.3088 COc1ccc(cc1F)C(C)OC 34a_100000242639_200000210301 [0,1,0,0,0,0|1,0,1]=3 1993 B13R1.3088 COc1ccc(cc1F)C(C)OC 7a_100000242639_200000210301 [0,1,0,0,0,0|1,0,1]=3 1994 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 34a_100000242639_200025704644 [0,1,0,0,0,0|1,0,1]=3 1995 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 7a_100000242639_200025704644 [0,1,0,0,0,0|1,0,1]=3 1996 B13R1.3088 COc1ccc(cc1I)C(=O)CF 1458a_100000188716_100015361967 [0,1,0,0,0,0|2,0,0]=3 1997 B13R1.3088 COc1ccc(cc1I)C(C)OC 34a_202516928852_200000210301 [0,1,0,0,0,0|1,0,1]=3 1998 B13R1.3088 COc1ccc(cc1I)C(C)OC 7a_202516928852_200000210301 [0,1,0,0,0,0|1,0,1]=3 1999 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 34a_202516928852_200025704644 [0,1,0,0,0,0|1,0,1]=3 2000 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 7a_202516928852_200025704644 [0,1,0,0,0,0|1,0,1]=3 2001 B13R1.3088 COc1ccc(cc1N)C(=O)NN 34a_200000039609_200000210301 [0,1,0,0,0,0|2,0,0]=3 2002 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [0,1,0,0,0,0|2,0,0]=3 2003 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [0,1,0,0,0,0|2,0,0]=3 2004 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_100012339724_200000210301 [0,1,0,0,0,0|2,1,0]=4 2005 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_200000210301_100012339724 [0,1,0,0,0,0|2,1,0]=4 2006 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_100016989600_200000210301 [0,1,0,0,0,0|2,1,0]=4 2007 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_200000210301_100016989600 [0,1,0,0,0,0|2,1,0]=4 2008 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_100012339724_200025704644 [0,1,0,0,0,0|2,1,0]=4 2009 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_200025704644_100012339724 [0,1,0,0,0,0|2,1,0]=4 2010 B13R1.3088 [13CH3]Oc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200025704644 [0,1,0,0,0,0|2,0,0]=3 2011 B13R1.3088 [13CH3]Oc1ccc(cc1N)C(=O)NN 34a_200000039609_200025704644 [0,1,0,0,0,0|2,0,0]=3 2012 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_100016989600_200025704644 [0,1,0,0,0,0|2,1,0]=4 2013 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_200025704644_100016989600 [0,1,0,0,0,0|2,1,0]=4 2014 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [0,0,0,1,0,0|2,0,0]=3 2015 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 11a_106832991635_100000137882 [0,0,0,1,0,0|2,0,0]=3 2016 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 1626a_100102657272_100000137882 [0,0,0,1,0,0|2,0,0]=3 2017 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 240690a_100102657272_100000137882 [0,0,0,1,0,0|2,0,0]=3 2018 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 527a_100102657272_100000137882 [0,0,0,1,0,0|2,0,0]=3 2019 B13R2.1139 O=C(CF)c1ccc2c(c1)CC2 1458a_100000137882_100015361967 [0,0,0,1,0,0|3,0,0]=4 2020 B13R2.2130 C=Cc1ccc2c(c1)CCC2=O 271570a_100011290941_100000737041 [0,0,0,1,0,0|2,0,1]=4 2021 B13R2.2130 C=Cc1ccc2c(c1)CNC2=O 271570a_100011290941_100000692135 [0,0,0,1,0,0|2,0,1]=4 2022 B13R2.2130 C=Cc1ccc2c(c1)COC2=O 271570a_100011290941_100009816608 [0,0,0,1,0,0|1,0,1]=3 2023 B13R2.2130 CNc1ccc2c(n1)CNC2=O 27a_100102657272_200009864240 [0,0,0,1,0,0|3,0,0]=4 2024 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,0,0,1,0,0|1,0,0]=2 2025 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,0,0,1,0,0|1,0,0]=2 2026 B13R2.2130 COc1ccc2c(c1)CNC2=O 34a_100000098542_200000210301 [0,0,0,1,0,0|1,0,0]=2 2027 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,0,0,1,0,0|0,0,0]=1 2028 B13R2.2130 COc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049672 [0,0,0,1,0,0|2,0,1]=4 2029 B13R2.2130 COc1ccc2c(noc2c1)C 34a_200000076027_200000210301 [0,0,0,1,0,0|3,0,0]=4 2030 B13R2.2130 CSc1ccc2c(=O)[nH][nH]c2c1 62a_200000210301_100012353722 [0,0,0,1,0,0|2,1,0]=4 2031 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,0,0,1,0,0|1,1,1]=4 2032 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,0,0,1,0,0|1,1,1]=4 2033 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_100000737041_200000210301 [0,0,0,1,0,0|1,1,0]=3 2034 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_200000210301_100000737041 [0,0,0,1,0,0|1,1,0]=3 2035 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_100000692135_200000210301 [0,0,0,1,0,0|1,1,0]=3 2036 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_200000210301_100000692135 [0,0,0,1,0,0|1,1,0]=3 2037 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,0,0,1,0,0|0,1,0]=2 2038 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,0,0,1,0,0|2,1,0]=4 2039 B13R2.2130 CSc1ccc2c(n1)CNC2=O 62a_200000210301_200009864240 [0,0,0,1,0,0|2,1,0]=4 2040 B13R2.2130 CSc1ccc2c(n1)CNC2=O 62a_200009864240_200000210301 [0,0,0,1,0,0|2,1,0]=4 2041 B13R2.2130 Cc1noc2c1ccc(c2)O[13CH3] 34a_200000076027_200025704644 [0,0,0,1,0,0|3,0,0]=4 2042 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,0,0,1,0,0|1,0,0]=2 2043 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,0,0,1,0,0|1,0,0]=2 2044 B13R2.2130 [13CH3]Oc1ccc2c(c1)CNC2=O 34a_100000098542_200025704644 [0,0,0,1,0,0|1,0,0]=2 2045 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,0,0,1,0,0|0,0,0]=1 2046 B13R2.2130 [13CH3]Sc1ccc2c(=O)[nH][nH]c2c1 62a_200025704644_100012353722 [0,0,0,1,0,0|2,1,0]=4 2047 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,0,0,1,0,0|1,1,1]=4 2048 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,0,0,1,0,0|1,1,1]=4 2049 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_100000737041_200025704644 [0,0,0,1,0,0|1,1,0]=3 2050 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_200025704644_100000737041 [0,0,0,1,0,0|1,1,0]=3 2051 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_100000692135_200025704644 [0,0,0,1,0,0|1,1,0]=3 2052 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_200025704644_100000692135 [0,0,0,1,0,0|1,1,0]=3 2053 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,0,0,1,0,0|0,1,0]=2 2054 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,0,0,1,0,0|2,1,0]=4 2055 B13R2.2130 [13CH3]Sc1ccc2c(n1)CNC2=O 62a_200009864240_200025704644 [0,0,0,1,0,0|2,1,0]=4 2056 B13R2.2130 [13CH3]Sc1ccc2c(n1)CNC2=O 62a_200025704644_200009864240 [0,0,0,1,0,0|2,1,0]=4 2057 B11R1.44 C=Cc1cc(c[nH]1)C(=O)OC 271570a_100011290941_100009840242 [0,0,0,0,1,0|2,0,1]=4 2058 B11R1.44 C=Cc1cc(cs1)C(=O)OC 271570a_100011290941_100000692058 [0,0,0,0,1,0|2,0,1]=4 2059 B11R1.44 C=Cc1ccc([nH]1)C(=O)OC 271570a_100011290941_100000687774 [0,0,0,0,1,0|2,0,1]=4 2060 B11R1.44 C=Cc1ccc(o1)C(=O)OC 271570a_100011290941_100000148852 [0,0,0,0,1,0|2,0,1]=4 2061 B11R1.44 C=Cc1ccc(s1)C(=O)OC 271570a_100011290941_100000148107 [0,0,0,0,1,0|2,0,1]=4 2062 B11R1.44 C=Cc1coc(c1)C(=O)OC 271570a_100011290941_100009992624 [0,0,0,0,1,0|2,0,1]=4 2063 B11R1.44 C=Cc1csc(c1)C(=O)OC 271570a_100011290941_100009815473 [0,0,0,0,1,0|2,0,1]=4 2064 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200000210301_200011203577 [0,0,0,0,1,0|2,1,0]=4 2065 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200011203577_200000210301 [0,0,0,0,1,0|2,1,0]=4 2066 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200011203577_200025704644 [0,0,0,0,1,0|2,1,0]=4 2067 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200011203577 [0,0,0,0,1,0|2,1,0]=4 2068 B11R1.44 CNC(=O)c1ccc(o1)SC 62a_200000210301_100000159859 [0,0,0,0,1,0|2,1,0]=4 2069 B11R1.44 CNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000159859 [0,0,0,0,1,0|2,1,0]=4 2070 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000155069_200000210301 [0,0,0,0,1,0|2,1,0]=4 2071 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000210301_200000155069 [0,0,0,0,1,0|2,1,0]=4 2072 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200000155069_200025704644 [0,0,0,0,1,0|2,1,0]=4 2073 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155069 [0,0,0,0,1,0|2,1,0]=4 2074 B11R1.44 CNc1nc(co1)C(=O)OC 27a_100102657272_100010235569 [0,0,0,0,1,0|3,0,0]=4 2075 B11R1.44 CNc1ncc(s1)C(=O)OC 27a_100102657272_100000738003 [0,0,0,0,1,0|3,0,0]=4 2076 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [0,0,0,0,1,0|1,1,0]=3 2077 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [0,0,0,0,1,0|1,1,0]=3 2078 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [0,0,0,0,1,0|1,1,0]=3 2079 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [0,0,0,0,1,0|1,1,0]=3 2080 B11R1.44 COC(=O)c1cc([nH]n1)SC 62a_100010760819_200000210301 [0,0,0,0,1,0|2,1,0]=4 2081 B11R1.44 COC(=O)c1cc([nH]n1)SC 62a_200000210301_100010760819 [0,0,0,0,1,0|2,1,0]=4 2082 B11R1.44 COC(=O)c1cc([nH]n1)S[13CH3] 62a_100010760819_200025704644 [0,0,0,0,1,0|2,1,0]=4 2083 B11R1.44 COC(=O)c1cc([nH]n1)S[13CH3] 62a_200025704644_100010760819 [0,0,0,0,1,0|2,1,0]=4 2084 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,0,0,0,1,0|1,1,0]=3 2085 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,0,0,0,1,0|1,1,0]=3 2086 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,0,0,0,1,0|1,1,0]=3 2087 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,0,0,0,1,0|1,1,0]=3 2088 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,0,0,0,1,0|1,1,0]=3 2089 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,0,0,0,1,0|1,1,0]=3 2090 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,0,0,0,1,0|1,1,0]=3 2091 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,0,0,0,1,0|1,1,0]=3 2092 B11R1.44 COC(=O)c1cc(no1)SC 62a_100009817109_200000210301 [0,0,0,0,1,0|2,1,0]=4 2093 B11R1.44 COC(=O)c1cc(no1)SC 62a_200000210301_100009817109 [0,0,0,0,1,0|2,1,0]=4 2094 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_100009817109_200025704644 [0,0,0,0,1,0|2,1,0]=4 2095 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_200025704644_100009817109 [0,0,0,0,1,0|2,1,0]=4 2096 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,0,0,0,1,0|1,1,0]=3 2097 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,0,0,0,1,0|1,1,0]=3 2098 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,0,0,0,1,0|1,1,0]=3 2099 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,0,0,0,1,0|1,1,0]=3 2100 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,0,0,0,1,0|1,1,0]=3 2101 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,0,0,0,1,0|1,1,0]=3 2102 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,0,0,0,1,0|1,1,0]=3 2103 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,0,0,0,1,0|1,1,0]=3 2104 B11R1.44 COC(=O)c1cnc([nH]1)SC 62a_106744473586_200000210301 [0,0,0,0,1,0|2,1,0]=4 2105 B11R1.44 COC(=O)c1cnc([nH]1)SC 62a_200000210301_106744473586 [0,0,0,0,1,0|2,1,0]=4 2106 B11R1.44 COC(=O)c1cnc([nH]1)S[13CH3] 62a_106744473586_200025704644 [0,0,0,0,1,0|2,1,0]=4 2107 B11R1.44 COC(=O)c1cnc([nH]1)S[13CH3] 62a_200025704644_106744473586 [0,0,0,0,1,0|2,1,0]=4 2108 B11R1.44 COC(=O)c1cnc(s1)SC 62a_100000738003_200000210301 [0,0,0,0,1,0|2,1,0]=4 2109 B11R1.44 COC(=O)c1cnc(s1)SC 62a_200000210301_100000738003 [0,0,0,0,1,0|2,1,0]=4 2110 B11R1.44 COC(=O)c1cnc(s1)S[13CH3] 62a_100000738003_200025704644 [0,0,0,0,1,0|2,1,0]=4 2111 B11R1.44 COC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_100000738003 [0,0,0,0,1,0|2,1,0]=4 2112 B11R1.44 COC(=O)c1coc(n1)SC 62a_100010235569_200000210301 [0,0,0,0,1,0|2,1,0]=4 2113 B11R1.44 COC(=O)c1coc(n1)SC 62a_200000210301_100010235569 [0,0,0,0,1,0|2,1,0]=4 2114 B11R1.44 COC(=O)c1coc(n1)S[13CH3] 62a_100010235569_200025704644 [0,0,0,0,1,0|2,1,0]=4 2115 B11R1.44 COC(=O)c1coc(n1)S[13CH3] 62a_200025704644_100010235569 [0,0,0,0,1,0|2,1,0]=4 2116 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [0,0,0,0,1,0|1,1,0]=3 2117 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [0,0,0,0,1,0|1,1,0]=3 2118 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [0,0,0,0,1,0|1,1,0]=3 2119 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [0,0,0,0,1,0|1,1,0]=3 2120 B11R1.44 COC(=O)c1csc(n1)SC 62a_100009816811_200000210301 [0,0,0,0,1,0|2,1,0]=4 2121 B11R1.44 COC(=O)c1csc(n1)SC 62a_200000210301_100009816811 [0,0,0,0,1,0|2,1,0]=4 2122 B11R1.44 COC(=O)c1csc(n1)S[13CH3] 62a_100009816811_200025704644 [0,0,0,0,1,0|2,1,0]=4 2123 B11R1.44 COC(=O)c1csc(n1)S[13CH3] 62a_200025704644_100009816811 [0,0,0,0,1,0|2,1,0]=4 2124 B11R1.44 COC(=O)c1nc(cs1)SC 62a_100012360158_200000210301 [0,0,0,0,1,0|2,1,0]=4 2125 B11R1.44 COC(=O)c1nc(cs1)SC 62a_200000210301_100012360158 [0,0,0,0,1,0|2,1,0]=4 2126 B11R1.44 COC(=O)c1nc(cs1)S[13CH3] 62a_100012360158_200025704644 [0,0,0,0,1,0|2,1,0]=4 2127 B11R1.44 COC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100012360158 [0,0,0,0,1,0|2,1,0]=4 2128 B11R1.44 COC(=O)c1ncc(s1)SC 62a_100010191244_200000210301 [0,0,0,0,1,0|2,1,0]=4 2129 B11R1.44 COC(=O)c1ncc(s1)SC 62a_200000210301_100010191244 [0,0,0,0,1,0|2,1,0]=4 2130 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_100010191244_200025704644 [0,0,0,0,1,0|2,1,0]=4 2131 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100010191244 [0,0,0,0,1,0|2,1,0]=4 2132 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,0,0,0,0,1|2,0,1]=4 2133 B13R1.5 C#CC(=O)Cc1ccc(cc1)SC 1458a_100000211873_100000181263 [0,0,0,0,0,1|1,1,1]=4 2134 B13R1.5 C#CC(=O)Cc1ccc(cn1)OC 1458a_100000211873_200000757186 [0,0,0,0,0,1|2,0,1]=4 2135 B13R1.5 C#CC(=O)Cc1ccc(nc1)OC 1458a_100000211873_100020631284 [0,0,0,0,0,1|2,0,1]=4 2136 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000140223 [0,0,0,0,0,1|2,0,1]=4 2137 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_200009884166_100000210202 [0,0,0,0,0,1|2,0,1]=4 2138 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 11a_106832991635_200009884166 [0,0,0,0,0,1|2,0,1]=4 2139 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 1626a_100102657272_200009884166 [0,0,0,0,0,1|2,0,1]=4 2140 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 240690a_100102657272_200009884166 [0,0,0,0,0,1|2,0,1]=4 2141 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 527a_100102657272_200009884166 [0,0,0,0,0,1|2,0,1]=4 2142 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 11a_100011215031_100000210414 [0,0,0,0,0,1|2,0,1]=4 2143 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 1626a_100011215031_100000210414 [0,0,0,0,0,1|2,0,1]=4 2144 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 22a_100011215031_100000210414 [0,0,0,0,0,1|2,0,1]=4 2145 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 527a_100011215031_100000210414 [0,0,0,0,0,1|2,0,1]=4 2146 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 2430a_100011215031_100102657272 [0,0,0,0,0,1|2,0,1]=4 2147 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 512a_100011215031_100102657272 [0,0,0,0,0,1|2,0,1]=4 2148 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,0,0,0,0,1|2,0,1]=4 2149 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,0,0,0,0,1|1,1,1]=4 2150 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,0,0,0,0,1|2,0,1]=4 2151 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,0,0,0,0,1|2,0,1]=4 2152 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,0,0,0,0,1|2,0,1]=4 2153 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,0,0,0,0,1|2,0,1]=4 2154 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,0,0,0,0,1|1,0,1]=3 2155 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,0,0,0,0,1|1,0,1]=3 2156 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,0,0,0,0,1|1,0,1]=3 2157 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,0,0,0,0,1|1,0,1]=3 2158 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,0,0,0,0,1|1,1,1]=4 2159 B13R1.5 C=Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000034074 [0,0,0,0,0,1|2,0,1]=4 2160 B13R1.5 C=Cc1ccc(cc1)CC(=O)NC 271570a_100011290941_100000155101 [0,0,0,0,0,1|2,0,1]=4 2161 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,0,0,0,0,1|1,0,1]=3 2162 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 11a_100011218248_100000210414 [0,0,0,0,0,1|2,0,1]=4 2163 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 1626a_100011218248_100000210414 [0,0,0,0,0,1|2,0,1]=4 2164 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 22a_100011218248_100000210414 [0,0,0,0,0,1|2,0,1]=4 2165 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 527a_100011218248_100000210414 [0,0,0,0,0,1|2,0,1]=4 2166 B13R1.5 C=Cc1ccc(cc1)NC(=O)NC 2430a_100011218248_100102657272 [0,0,0,0,0,1|2,0,1]=4 2167 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,0,0,0,0,1|1,0,1]=3 2168 B13R1.5 C=Cc1ccc(cc1)OC(=O)CC 271570a_100011290941_200009811598 [0,0,0,0,0,1|2,0,1]=4 2169 B13R1.5 C=Cc1ccc(cn1)CC(=O)OC 271570a_100011290941_100000071674 [0,0,0,0,0,1|2,0,1]=4 2170 B13R1.5 C=Cc1ccc(nc1)CC(=O)OC 271570a_100011290941_100012362609 [0,0,0,0,0,1|2,0,1]=4 2171 B13R1.5 C=Cc1ccc(nc1)NC(=O)OC 271570a_100011290941_100000188976 [0,0,0,0,0,1|2,0,1]=4 2172 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000210414_100000184898 [0,0,0,0,0,1|3,0,0]=4 2173 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_100000210202 [0,0,0,0,0,1|3,0,0]=4 2174 B13R1.5 CCC(=O)Cc1ccc(cc1)C=O 1458a_100000210414_100000075337 [0,0,0,0,0,1|3,0,0]=4 2175 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,0,0,0,0,1|2,0,0]=3 2176 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,0,0,0,0,1|2,0,0]=3 2177 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,0,0,0,0,1|3,0,0]=4 2178 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,0,0,0,0,1|3,0,0]=4 2179 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,0,0,0,0,1|1,0,0]=2 2180 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,0,0,0,0,1|1,1,0]=3 2181 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,0,0,0,0,1|1,1,0]=3 2182 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,0,0,0,0,1|2,0,0]=3 2183 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,0,0,0,0,1|2,0,0]=3 2184 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,0,0,0,0,1|2,0,0]=3 2185 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,0,0,0,0,1|2,0,0]=3 2186 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210414 [0,0,0,0,0,1|3,0,0]=4 2187 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210414 [0,0,0,0,0,1|3,0,0]=4 2188 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210414 [0,0,0,0,0,1|2,0,0]=3 2189 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210414 [0,0,0,0,0,1|2,0,0]=3 2190 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210414 [0,0,0,0,0,1|2,0,0]=3 2191 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210414 [0,0,0,0,0,1|2,0,0]=3 2192 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,0,0,0,0,1|3,0,0]=4 2193 B13R1.5 CCC(=O)Nc1ccc(cc1)NC 34a_100000186511_200000210301 [0,0,0,0,0,1|2,0,0]=3 2194 B13R1.5 CCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000186511_200025704644 [0,0,0,0,0,1|2,0,0]=3 2195 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,0,0,0,0,1|1,0,0]=2 2196 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,0,0,0,0,1|1,0,0]=2 2197 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,0,0,0,0,1|1,0,0]=2 2198 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,0,0,0,0,1|1,0,0]=2 2199 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,0,0,0,0,1|1,0,0]=2 2200 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,0,0,0,0,1|1,0,0]=2 2201 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,0,0,0,0,1|1,0,0]=2 2202 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,0,0,0,0,1|1,0,0]=2 2203 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210414 [0,0,0,0,0,1|1,1,0]=3 2204 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210414 [0,0,0,0,0,1|1,1,0]=3 2205 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210414 [0,0,0,0,0,1|1,1,0]=3 2206 B13R1.5 CCC(=O)Oc1ccc(cc1)SC 62a_200000210301_200009811598 [0,0,0,0,0,1|1,1,0]=3 2207 B13R1.5 CCC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009811598 [0,0,0,0,0,1|1,1,0]=3 2208 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,0,0,0,0,1|2,0,1]=4 2209 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,0,0,0,0,1|2,0,1]=4 2210 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,0,0,0,0,1|2,0,1]=4 2211 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000184145_100000210202 [0,0,0,0,0,1|3,0,0]=4 2212 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000225621_100000742318 [0,0,0,0,0,1|3,0,0]=4 2213 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000741509_200000210301 [0,0,0,0,0,1|3,0,0]=4 2214 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000184145_100000204670 [0,0,0,0,0,1|3,0,0]=4 2215 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000225621_100000742318 [0,0,0,0,0,1|3,0,0]=4 2216 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000741509_200000210301 [0,0,0,0,0,1|3,0,0]=4 2217 B13R1.5 CCN(C)Cc1ccc(cc1)OC 26a_100000225621_100000210503 [0,0,0,0,0,1|3,0,0]=4 2218 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 2230a_100000741509_200025704644 [0,0,0,0,0,1|3,0,0]=4 2219 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 269982a_100000741509_200025704644 [0,0,0,0,0,1|3,0,0]=4 2220 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,0,0,0,0,1|3,0,0]=4 2221 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,0,0,0,0,1|3,0,0]=4 2222 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,0,0,0,0,1|2,0,0]=3 2223 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,0,0,0,0,1|2,0,0]=3 2224 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,0,0,0,0,1|2,0,0]=3 2225 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,0,0,0,0,1|2,0,0]=3 2226 B13R1.5 CCc1ccc(cc1)NC(=O)CO 22a_100000211069_100000210174 [0,0,0,0,0,1|3,0,0]=4 2227 B13R1.5 CCc1ccc(cc1)NC(=O)CO 527a_100000211069_100000210174 [0,0,0,0,0,1|3,0,0]=4 2228 B13R1.5 CCc1ccc(cc1)NC(=O)NC 2430a_100000211069_100102657272 [0,0,0,0,0,1|2,0,0]=3 2229 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100009879195_100011215824 [0,0,0,0,0,1|2,0,1]=4 2230 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100011215824_100009879195 [0,0,0,0,0,1|2,0,1]=4 2231 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 11a_106832991635_100000748677 [0,0,0,0,0,1|3,0,0]=4 2232 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 1626a_100102657272_100000748677 [0,0,0,0,0,1|3,0,0]=4 2233 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 240690a_100102657272_100000748677 [0,0,0,0,0,1|3,0,0]=4 2234 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 527a_100102657272_100000748677 [0,0,0,0,0,1|3,0,0]=4 2235 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,0,0,0,0,1|3,0,0]=4 2236 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,0,0,0,0,1|2,0,0]=3 2237 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,0,0,0,0,1|2,0,0]=3 2238 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,0,0,0,0,1|2,0,0]=3 2239 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,0,0,0,0,1|2,0,0]=3 2240 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,0,0,0,0,1|1,0,0]=2 2241 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,0,0,0,0,1|1,0,0]=2 2242 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,0,0,0,0,1|1,0,0]=2 2243 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,0,0,0,0,1|1,0,0]=2 2244 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,0,0,0,0,1|1,0,0]=2 2245 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,0,0,0,0,1|1,1,0]=3 2246 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,0,0,0,0,1|1,1,0]=3 2247 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,0,0,0,0,1|1,1,0]=3 2248 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,0,0,0,0,1|1,1,0]=3 2249 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,0,0,0,0,1|1,1,0]=3 2250 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,0,0,0,0,1|1,1,0]=3 2251 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,0,0,0,0,1|1,1,0]=3 2252 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,0,0,0,0,1|1,1,0]=3 2253 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,0,0,0,0,1|2,0,0]=3 2254 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,0,0,0,0,1|2,0,0]=3 2255 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,0,0,0,0,1|2,0,0]=3 2256 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,0,0,0,0,1|2,0,0]=3 2257 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,0,0,0,0,1|2,0,0]=3 2258 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,0,0,0,0,1|2,0,0]=3 2259 B13R1.5 CNC(=O)Nc1ccc(cc1)C#N 2430a_100000185469_100102657272 [0,0,0,0,0,1|3,0,0]=4 2260 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,0,0,0,0,1|3,0,0]=4 2261 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,0,0,0,0,1|1,0,0]=2 2262 B13R1.5 CNC(=O)Nc1ccc(cc1)SC 2430a_100000212337_100102657272 [0,0,0,0,0,1|1,1,0]=3 2263 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,0,0,0,0,1|2,0,1]=4 2264 B13R1.5 CNc1ccc(cc1)NC(=O)CO 34a_100011269904_200000210301 [0,0,0,0,0,1|3,0,0]=4 2265 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100000743151_100009879195 [0,0,0,0,0,1|2,0,1]=4 2266 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100009879195_100000743151 [0,0,0,0,0,1|2,0,1]=4 2267 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,0,0,0,0,1|0,0,0]=1 2268 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,0,0,0,0,1|0,0,0]=1 2269 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,0,0,0,0,1|0,1,0]=2 2270 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,0,0,0,0,1|0,1,0]=2 2271 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,0,0,0,0,1|0,1,0]=2 2272 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,0,0,0,0,1|0,1,0]=2 2273 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_100012362609_200000210301 [0,0,0,0,0,1|1,1,0]=3 2274 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_200000210301_100012362609 [0,0,0,0,0,1|1,1,0]=3 2275 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_100012362609_200025704644 [0,0,0,0,0,1|1,1,0]=3 2276 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_200025704644_100012362609 [0,0,0,0,0,1|1,1,0]=3 2277 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_100000071674_200000210301 [0,0,0,0,0,1|1,1,0]=3 2278 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_200000210301_100000071674 [0,0,0,0,0,1|1,1,0]=3 2279 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_100000071674_200025704644 [0,0,0,0,0,1|1,1,0]=3 2280 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000071674 [0,0,0,0,0,1|1,1,0]=3 2281 B13R1.5 COC(=O)Cc1ncc(cn1)SC 62a_100010080487_200000210301 [0,0,0,0,0,1|2,1,0]=4 2282 B13R1.5 COC(=O)Cc1ncc(cn1)SC 62a_200000210301_100010080487 [0,0,0,0,0,1|2,1,0]=4 2283 B13R1.5 COC(=O)Cc1ncc(cn1)S[13CH3] 62a_100010080487_200025704644 [0,0,0,0,0,1|2,1,0]=4 2284 B13R1.5 COC(=O)Cc1ncc(cn1)S[13CH3] 62a_200025704644_100010080487 [0,0,0,0,0,1|2,1,0]=4 2285 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,0,0,0,0,1|0,0,0]=1 2286 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,0,0,0,0,1|0,0,0]=1 2287 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,0,0,0,0,1|0,1,0]=2 2288 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,0,0,0,0,1|0,1,0]=2 2289 B13R1.5 COC(=O)Nc1ccc(cn1)SC 62a_200000210301_100000188976 [0,0,0,0,0,1|1,1,0]=3 2290 B13R1.5 COC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000188976 [0,0,0,0,0,1|1,1,0]=3 2291 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100009879195_100011263217 [0,0,0,0,0,1|1,1,1]=4 2292 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100011263217_100009879195 [0,0,0,0,0,1|1,1,1]=4 2293 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,0,0,0,0,1|2,0,0]=3 2294 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,0,0,0,0,1|2,0,0]=3 2295 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,0,0,0,0,1|2,0,0]=3 2296 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,0,0,0,0,1|2,0,0]=3 2297 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,0,0,0,0,1|2,0,0]=3 2298 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,0,0,0,0,1|1,0,1]=3 2299 B13R1.5 COc1ccc(cn1)CC(=O)CF 1458a_100012001117_100015361967 [0,0,0,0,0,1|3,0,0]=4 2300 B13R1.5 COc1ccc(cn1)CC(=O)CO 1458a_100000210174_100020631284 [0,0,0,0,0,1|3,0,0]=4 2301 B13R1.5 COc1ccc(cn1)SC(C)OC 62a_100000047065_100009879195 [0,0,0,0,0,1|2,0,1]=4 2302 B13R1.5 COc1ccc(cn1)SC(C)OC 62a_100009879195_100000047065 [0,0,0,0,0,1|2,0,1]=4 2303 B13R1.5 COc1ccc(nc1)CC(=O)CF 1458a_100000722272_100015361967 [0,0,0,0,0,1|3,0,0]=4 2304 B13R1.5 COc1ccc(nc1)CC(=O)CO 1458a_100000210174_200000757186 [0,0,0,0,0,1|3,0,0]=4 2305 B13R1.5 COc1ccc(nc1)SC(C)OC 62a_100000755202_100009879195 [0,0,0,0,0,1|2,0,1]=4 2306 B13R1.5 COc1ccc(nc1)SC(C)OC 62a_100009879195_100000744180 [0,0,0,0,0,1|2,0,1]=4 2307 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,0,0,0,0,1|2,1,0]=4 2308 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,0,0,0,0,1|2,1,0]=4 2309 B13R1.5 CSc1ccc(cc1)NC(=O)CN 62a_200000210301_100000741985 [0,0,0,0,0,1|2,1,0]=4 2310 B13R1.5 CSc1ccc(cc1)NC(=O)CO 22a_100000212337_100000210174 [0,0,0,0,0,1|2,1,0]=4 2311 B13R1.5 CSc1ccc(cc1)NC(=O)CO 527a_100000212337_100000210174 [0,0,0,0,0,1|2,1,0]=4 2312 B13R1.5 [13CH3]Nc1ccc(cc1)NC(=O)CO 34a_100011269904_200025704644 [0,0,0,0,0,1|3,0,0]=4 2313 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,0,0,0,0,1|2,0,0]=3 2314 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,0,0,0,0,1|2,0,0]=3 2315 B13R1.5 [13CH3]Sc1ccc(cc1)NC(=O)CN 62a_200025704644_100000741985 [0,0,0,0,0,1|2,1,0]=4 2316 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [2,0,0,0,0,0|1,0,1]=4 2317 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [2,0,0,0,0,0|1,0,1]=4 2318 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [2,0,0,0,0,0|1,0,1]=4 2319 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [2,0,0,0,0,0|1,0,1]=4 2320 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [2,0,0,0,0,0|1,0,1]=4 2321 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [2,0,0,0,0,0|0,0,1]=3 2322 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [2,0,0,0,0,0|0,0,1]=3 2323 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [2,0,0,0,0,0|0,0,1]=3 2324 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [2,0,0,0,0,0|0,0,1]=3 2325 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [2,0,0,0,0,0|0,0,1]=3 2326 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [2,0,0,0,0,0|0,1,1]=4 2327 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [2,0,0,0,0,0|0,1,1]=4 2328 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [2,0,0,0,0,0|0,1,1]=4 2329 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [2,0,0,0,0,0|0,1,1]=4 2330 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [2,0,0,0,0,0|0,1,1]=4 2331 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [2,0,0,0,0,0|1,0,1]=4 2332 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [2,0,0,0,0,0|1,0,1]=4 2333 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [2,0,0,0,0,0|1,0,1]=4 2334 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [2,0,0,0,0,0|1,0,1]=4 2335 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [2,0,0,0,0,0|1,0,1]=4 2336 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [2,0,0,0,0,0|1,0,1]=4 2337 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [2,0,0,0,0,0|0,0,1]=3 2338 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [2,0,0,0,0,0|0,0,1]=3 2339 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [2,0,0,0,0,0|0,0,1]=3 2340 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [2,0,0,0,0,0|0,0,1]=3 2341 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [2,0,0,0,0,0|0,1,1]=4 2342 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [2,0,0,0,0,0|0,1,1]=4 2343 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [2,0,0,0,0,0|0,1,1]=4 2344 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [2,0,0,0,0,0|0,1,1]=4 2345 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [2,0,0,0,0,0|1,0,1]=4 2346 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [2,0,0,0,0,0|1,0,1]=4 2347 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [2,0,0,0,0,0|1,0,0]=3 2348 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [2,0,0,0,0,0|1,0,0]=3 2349 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [2,0,0,0,0,0|1,0,0]=3 2350 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [2,0,0,0,0,0|1,1,0]=4 2351 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [2,0,0,0,0,0|1,1,0]=4 2352 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [2,0,0,0,0,0|1,1,0]=4 2353 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [2,0,0,0,0,0|1,1,0]=4 2354 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [2,0,0,0,0,0|1,1,0]=4 2355 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 2356 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 2357 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2358 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [2,0,0,0,0,0|0,0,1]=3 2359 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [2,0,0,0,0,0|1,0,0]=3 2360 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [2,0,0,0,0,0|0,0,0]=2 2361 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [2,0,0,0,0,0|0,0,0]=2 2362 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [2,0,0,0,0,0|0,1,0]=3 2363 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [2,0,0,0,0,0|0,1,0]=3 2364 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [2,0,0,0,0,0|0,1,0]=3 2365 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [2,0,0,0,0,0|1,0,0]=3 2366 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [2,0,0,0,0,0|1,1,0]=4 2367 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [2,0,0,0,0,0|1,1,0]=4 2368 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [2,0,0,0,0,0|1,1,0]=4 2369 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [2,0,0,0,0,0|1,1,0]=4 2370 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [2,0,0,0,0,0|1,0,1]=4 2371 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [2,0,0,0,0,0|1,0,0]=3 2372 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [2,0,0,0,0,0|1,0,0]=3 2373 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [2,0,0,0,0,0|1,0,0]=3 2374 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [2,0,0,0,0,0|1,1,0]=4 2375 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [2,0,0,0,0,0|1,1,0]=4 2376 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [2,0,0,0,0,0|1,1,0]=4 2377 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [2,0,0,0,0,0|1,1,0]=4 2378 B10R1.3 COc1cnc(nc1)OC 34a_100000099601_200000210301 [2,0,0,0,0,0|2,0,0]=4 2379 B10R1.3 COc1cnc(nc1)OC 7a_100000099601_200000210301 [2,0,0,0,0,0|2,0,0]=4 2380 B10R1.3 COc1ncc(cn1)O[13CH3] 34a_100000099601_200025704644 [2,0,0,0,0,0|2,0,0]=4 2381 B10R1.3 COc1ncc(cn1)O[13CH3] 7a_100000099601_200025704644 [2,0,0,0,0,0|2,0,0]=4 2382 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [2,0,0,0,0,0|0,1,0]=3 2383 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [2,0,0,0,0,0|0,1,0]=3 2384 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [2,0,0,0,0,0|0,1,1]=4 2385 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [2,0,0,0,0,0|0,1,1]=4 2386 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [2,0,0,0,0,0|1,1,0]=4 2387 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [2,0,0,0,0,0|0,1,0]=3 2388 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [2,0,0,0,0,0|0,2,0]=4 2389 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [2,0,0,0,0,0|0,2,0]=4 2390 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [2,0,0,0,0,0|0,2,0]=4 2391 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [2,0,0,0,0,0|0,2,0]=4 2392 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [2,0,0,0,0,0|1,1,0]=4 2393 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [2,0,0,0,0,0|1,1,0]=4 2394 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [2,0,0,0,0,0|1,1,0]=4 2395 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [2,0,0,0,0,0|1,1,0]=4 2396 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [2,0,0,0,0,0|1,0,1]=4 2397 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [2,0,0,0,0,0|1,0,1]=4 2398 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 2399 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 2400 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2401 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [2,0,0,0,0,0|0,0,1]=3 2402 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [2,0,0,0,0,0|1,0,1]=4 2403 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [2,0,0,0,0,0|0,1,0]=3 2404 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [2,0,0,0,0,0|0,1,0]=3 2405 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [2,0,0,0,0,0|0,1,1]=4 2406 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [2,0,0,0,0,0|0,1,1]=4 2407 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [2,0,0,0,0,0|1,1,0]=4 2408 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [2,0,0,0,0,0|1,1,0]=4 2409 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [2,0,0,0,0,0|1,1,0]=4 2410 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [2,0,0,0,0,0|1,1,0]=4 2411 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [2,0,0,0,0,0|2,0,0]=4 2412 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [2,0,0,0,0,0|1,0,0]=3 2413 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [2,0,0,0,0,0|2,0,0]=4 2414 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [2,0,0,0,0,0|2,0,0]=4 2415 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [2,0,0,0,0,0|2,0,0]=4 2416 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [2,0,0,0,0,0|1,0,0]=3 2417 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [2,0,0,0,0,0|1,0,0]=3 2418 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [2,0,0,0,0,0|2,0,0]=4 2419 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [2,0,0,0,0,0|2,0,0]=4 2420 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [2,0,0,0,0,0|2,0,0]=4 2421 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [2,0,0,0,0,0|1,0,0]=3 2422 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [2,0,0,0,0,0|0,0,0]=2 2423 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [2,0,0,0,0,0|1,0,0]=3 2424 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [2,0,0,0,0,0|1,0,0]=3 2425 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [2,0,0,0,0,0|1,0,0]=3 2426 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [2,0,0,0,0,0|0,0,0]=2 2427 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [2,0,0,0,0,0|0,0,0]=2 2428 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [2,0,0,0,0,0|1,0,0]=3 2429 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [2,0,0,0,0,0|1,0,0]=3 2430 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [2,0,0,0,0,0|2,0,0]=4 2431 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [2,0,0,0,0,0|2,0,0]=4 2432 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [2,0,0,0,0,0|2,0,0]=4 2433 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [2,0,0,0,0,0|1,0,1]=4 2434 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [2,0,0,0,0,0|0,0,2]=4 2435 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [2,0,0,0,0,0|2,0,0]=4 2436 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [2,0,0,0,0,0|2,0,0]=4 2437 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [2,0,0,0,0,0|2,0,0]=4 2438 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [2,0,0,0,0,0|2,0,0]=4 2439 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [2,0,0,0,0,0|2,0,0]=4 2440 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [2,0,0,0,0,0|1,0,0]=3 2441 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [2,0,0,0,0,0|1,0,1]=4 2442 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [2,0,0,0,0,0|1,0,1]=4 2443 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [2,0,0,0,0,0|0,0,0]=2 2444 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [2,0,0,0,0,0|2,0,0]=4 2445 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [2,0,0,0,0,0|2,0,0]=4 2446 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [2,0,0,0,0,0|2,0,0]=4 2447 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [2,0,0,0,0,0|2,0,0]=4 2448 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [2,0,0,0,0,0|2,0,0]=4 2449 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [2,0,0,0,0,0|2,0,0]=4 2450 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [2,0,0,0,0,0|1,0,0]=3 2451 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [2,0,0,0,0,0|2,0,0]=4 2452 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [2,0,0,0,0,0|2,0,0]=4 2453 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [2,0,0,0,0,0|1,0,1]=4 2454 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [2,0,0,0,0,0|1,0,0]=3 2455 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [2,0,0,0,0,0|1,0,0]=3 2456 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [2,0,0,0,0,0|1,0,0]=3 2457 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [2,0,0,0,0,0|1,0,0]=3 2458 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [2,0,0,0,0,0|0,0,0]=2 2459 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|1,0,0]=3 2460 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [2,0,0,0,0,0|1,0,1]=4 2461 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [2,0,0,0,0,0|1,0,1]=4 2462 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [2,0,0,0,0,0|2,0,0]=4 2463 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [2,0,0,0,0,0|1,0,0]=3 2464 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [2,0,0,0,0,0|2,0,0]=4 2465 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [2,0,0,0,0,0|2,0,0]=4 2466 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [2,0,0,0,0,0|2,0,0]=4 2467 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|1,0,0]=3 2468 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [2,0,0,0,0,0|2,0,0]=4 2469 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [2,0,0,0,0,0|2,0,0]=4 2470 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [2,0,0,0,0,0|2,0,0]=4 2471 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [2,0,0,0,0,0|1,0,1]=4 2472 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [2,0,0,0,0,0|2,0,0]=4 2473 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [2,0,0,0,0,0|2,0,0]=4 2474 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [2,0,0,0,0,0|2,0,0]=4 2475 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [2,0,0,0,0,0|2,0,0]=4 2476 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [2,0,0,0,0,0|2,0,0]=4 2477 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [2,0,0,0,0,0|2,0,0]=4 2478 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [2,0,0,0,0,0|2,0,0]=4 2479 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [2,0,0,0,0,0|2,0,0]=4 2480 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [2,0,0,0,0,0|2,0,0]=4 2481 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [2,0,0,0,0,0|2,0,0]=4 2482 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [2,0,0,0,0,0|1,0,1]=4 2483 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [2,0,0,0,0,0|1,0,1]=4 2484 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [2,0,0,0,0,0|1,0,1]=4 2485 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [2,0,0,0,0,0|1,0,1]=4 2486 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [2,0,0,0,0,0|1,0,1]=4 2487 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [2,0,0,0,0,0|1,0,1]=4 2488 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [2,0,0,0,0,0|1,0,1]=4 2489 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [2,0,0,0,0,0|1,0,1]=4 2490 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [2,0,0,0,0,0|1,0,1]=4 2491 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2492 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [2,0,0,0,0,0|1,0,1]=4 2493 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [2,0,0,0,0,0|1,0,1]=4 2494 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [2,0,0,0,0,0|1,0,1]=4 2495 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [2,0,0,0,0,0|0,0,1]=3 2496 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [2,0,0,0,0,0|0,0,1]=3 2497 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [2,0,0,0,0,0|0,0,1]=3 2498 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [2,0,0,0,0,0|1,0,1]=4 2499 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [2,0,0,0,0,0|1,0,1]=4 2500 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [2,0,0,0,0,0|1,0,1]=4 2501 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [2,0,0,0,0,0|1,0,1]=4 2502 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [2,0,0,0,0,0|1,0,1]=4 2503 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [2,0,0,0,0,0|1,0,1]=4 2504 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [2,0,0,0,0,0|1,0,1]=4 2505 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [2,0,0,0,0,0|1,0,1]=4 2506 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [2,0,0,0,0,0|1,0,1]=4 2507 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [2,0,0,0,0,0|1,0,1]=4 2508 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [2,0,0,0,0,0|0,0,1]=3 2509 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [2,0,0,0,0,0|1,0,1]=4 2510 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [2,0,0,0,0,0|1,0,1]=4 2511 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [2,0,0,0,0,0|1,0,1]=4 2512 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [2,0,0,0,0,0|1,0,1]=4 2513 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [2,0,0,0,0,0|0,1,1]=4 2514 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [2,0,0,0,0,0|0,1,1]=4 2515 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [2,0,0,0,0,0|1,0,1]=4 2516 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [2,0,0,0,0,0|1,0,1]=4 2517 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [2,0,0,0,0,0|1,0,1]=4 2518 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [2,0,0,0,0,0|0,0,1]=3 2519 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [2,0,0,0,0,0|0,0,1]=3 2520 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [2,0,0,0,0,0|0,1,1]=4 2521 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [2,0,0,0,0,0|0,1,1]=4 2522 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [2,0,0,0,0,0|1,0,1]=4 2523 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [2,0,0,0,0,0|1,0,1]=4 2524 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|2,0,0]=4 2525 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2526 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [2,0,0,0,0,0|1,0,1]=4 2527 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [2,0,0,0,0,0|1,0,1]=4 2528 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [2,0,0,0,0,0|1,0,1]=4 2529 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [2,0,0,0,0,0|1,0,1]=4 2530 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [2,0,0,0,0,0|1,0,1]=4 2531 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [2,0,0,0,0,0|1,0,1]=4 2532 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [2,0,0,0,0,0|1,0,1]=4 2533 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [2,0,0,0,0,0|1,0,1]=4 2534 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [2,0,0,0,0,0|1,0,0]=3 2535 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [2,0,0,0,0,0|1,0,0]=3 2536 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2537 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2538 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2539 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|1,0,1]=4 2540 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 2541 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 2542 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 2543 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 2544 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [2,0,0,0,0,0|2,0,0]=4 2545 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [1,1,0,0,0,0|1,0,1]=4 2546 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [1,1,0,0,0,0|1,0,1]=4 2547 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [1,1,0,0,0,0|0,0,2]=4 2548 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [1,1,0,0,0,0|0,0,2]=4 2549 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_200000210301 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_200000210301 [1,1,0,0,0,0|2,0,0]=4 2551 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [1,1,0,0,0,0|1,0,1]=4 2552 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [1,1,0,0,0,0|1,0,1]=4 2553 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [1,1,0,0,0,0|0,0,2]=4 2554 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [1,1,0,0,0,0|0,0,2]=4 2555 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [1,1,0,0,0,0|1,0,0]=3 2556 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [1,1,0,0,0,0|1,0,0]=3 2557 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200000210301 [1,1,0,0,0,0|1,0,1]=4 2558 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200000210301 [1,1,0,0,0,0|1,0,1]=4 2559 B12R1.6 COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200000210301 [1,1,0,0,0,0|1,0,1]=4 2560 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000195502_200025704644 [1,1,0,0,0,0|2,0,0]=4 2561 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000195502_200025704644 [1,1,0,0,0,0|2,0,0]=4 2562 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [1,1,0,0,0,0|1,0,0]=3 2563 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [1,1,0,0,0,0|1,0,0]=3 2564 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765142_200025704644 [1,1,0,0,0,0|1,1,0]=4 2565 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765142 [1,1,0,0,0,0|1,1,0]=4 2566 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_200000210301 [1,1,0,0,0,0|1,1,0]=4 2567 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000765142 [1,1,0,0,0,0|1,1,0]=4 2568 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200025704644 [1,1,0,0,0,0|1,0,1]=4 2569 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200025704644 [1,1,0,0,0,0|1,0,1]=4 2570 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200025704644 [1,1,0,0,0,0|1,0,1]=4 2571 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2572 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2573 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [1,1,0,0,0,0|1,0,1]=4 2574 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [1,1,0,0,0,0|1,0,1]=4 2575 B12R1.48 C=C(C)c1cc(c(cn1)OC)N 271570a_100000694244_100010896307 [1,1,0,0,0,0|2,0,0]=4 2576 B12R1.48 C=C(C)c1cc(c(cn1)OC)O 271570a_100000694244_100010264082 [1,1,0,0,0,0|2,0,0]=4 2577 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [1,1,0,0,0,0|1,0,0]=3 2578 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [1,1,0,0,0,0|2,0,0]=4 2579 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [1,1,0,0,0,0|1,0,0]=3 2580 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [1,1,0,0,0,0|1,0,0]=3 2581 B12R1.48 C=C(C)c1ccc(c(c1)Cl)SC 271570a_100000694244_206447510565 [1,1,0,0,0,0|1,1,0]=4 2582 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [1,1,0,0,0,0|2,0,0]=4 2583 B12R1.48 C=C(C)c1ccc(c(c1)F)NC 271570a_100000694244_100000743884 [1,1,0,0,0,0|2,0,0]=4 2584 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [1,1,0,0,0,0|1,0,0]=3 2585 B12R1.48 C=C(C)c1ccc(c(c1)F)SC 271570a_100000694244_100010161220 [1,1,0,0,0,0|1,1,0]=4 2586 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [1,1,0,0,0,0|2,0,0]=4 2587 B12R1.48 C=C(C)c1ccc(c(c1)N)NC 271570a_100000694244_100000741790 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [1,1,0,0,0,0|1,0,0]=3 2589 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [1,1,0,0,0,0|1,0,0]=3 2590 B12R1.48 C=C(C)c1ccc(c(n1)Br)OC 271570a_100000694244_100010214827 [1,1,0,0,0,0|2,0,0]=4 2591 B12R1.48 C=C(C)c1ccc(c(n1)C)OC 271570a_100000694244_100010244750 [1,1,0,0,0,0|2,0,0]=4 2592 B12R1.48 C=C(C)c1ccc(c(n1)Cl)OC 271570a_100000694244_100010233546 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.48 C=C(C)c1ccc(c(n1)F)OC 271570a_100000694244_100010138636 [1,1,0,0,0,0|2,0,0]=4 2594 B12R1.48 C=C(C)c1ccc(c(n1)N)OC 271570a_100000694244_100010192976 [1,1,0,0,0,0|2,0,0]=4 2595 B12R1.48 C=C(C)c1cnc(c(c1)Br)OC 271570a_100000694244_200010988584 [1,1,0,0,0,0|2,0,0]=4 2596 B12R1.48 C=C(C)c1cnc(c(c1)C)OC 271570a_100000694244_100011290809 [1,1,0,0,0,0|2,0,0]=4 2597 B12R1.48 C=C(C)c1cnc(c(c1)F)OC 271570a_100000694244_100011880707 [1,1,0,0,0,0|2,0,0]=4 2598 B12R1.48 C=C(C)c1cnc(c(c1)N)OC 271570a_100000694244_100000748608 [1,1,0,0,0,0|2,0,0]=4 2599 B12R1.48 C=C(C)c1cnc(c(c1)O)OC 271570a_100000694244_100010135713 [1,1,0,0,0,0|2,0,0]=4 2600 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [1,1,0,0,0,0|1,0,1]=4 2601 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [1,1,0,0,0,0|1,0,1]=4 2602 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [1,1,0,0,0,0|1,0,1]=4 2603 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [1,1,0,0,0,0|1,0,1]=4 2604 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [1,1,0,0,0,0|1,1,0]=4 2605 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [1,1,0,0,0,0|1,1,0]=4 2606 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [1,1,0,0,0,0|2,0,0]=4 2607 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [1,1,0,0,0,0|0,0,0]=2 2608 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [1,1,0,0,0,0|0,0,0]=2 2609 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [1,1,0,0,0,0|0,1,0]=3 2610 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [1,1,0,0,0,0|0,1,0]=3 2611 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [1,1,0,0,0,0|2,0,0]=4 2612 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [1,1,0,0,0,0|0,0,0]=2 2613 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [1,1,0,0,0,0|0,0,0]=2 2614 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [1,1,0,0,0,0|0,1,0]=3 2615 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [1,1,0,0,0,0|0,1,0]=3 2616 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [1,1,0,0,0,0|2,0,0]=4 2617 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [1,1,0,0,0,0|0,0,0]=2 2618 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [1,1,0,0,0,0|0,0,0]=2 2619 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [1,1,0,0,0,0|2,0,0]=4 2620 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [1,1,0,0,0,0|2,0,0]=4 2621 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [1,1,0,0,0,0|0,0,0]=2 2622 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [1,1,0,0,0,0|0,0,0]=2 2623 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [1,1,0,0,0,0|0,1,0]=3 2624 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [1,1,0,0,0,0|0,1,0]=3 2625 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [1,1,0,0,0,0|0,0,0]=2 2626 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [1,1,0,0,0,0|0,0,0]=2 2627 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [1,1,0,0,0,0|0,1,0]=3 2628 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [1,1,0,0,0,0|1,1,0]=4 2629 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [1,1,0,0,0,0|1,1,0]=4 2630 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100012182850_200025704644 [1,1,0,0,0,0|1,0,1]=4 2631 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100012182850_200025704644 [1,1,0,0,0,0|1,0,1]=4 2632 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 34a_200000187366_200025704644 [1,1,0,0,0,0|1,0,1]=4 2633 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 7a_200000187366_200025704644 [1,1,0,0,0,0|1,0,1]=4 2634 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [1,1,0,0,0,0|1,0,0]=3 2635 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [1,1,0,0,0,0|1,0,0]=3 2636 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [1,1,0,0,0,0|1,0,0]=3 2637 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [1,1,0,0,0,0|1,0,0]=3 2638 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [1,1,0,0,0,0|2,0,0]=4 2639 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [1,1,0,0,0,0|2,0,0]=4 2640 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [1,1,0,0,0,0|2,0,0]=4 2641 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [1,1,0,0,0,0|2,0,0]=4 2642 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [1,1,0,0,0,0|2,0,0]=4 2643 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [1,1,0,0,0,0|2,0,0]=4 2644 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [1,1,0,0,0,0|0,0,0]=2 2645 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [1,1,0,0,0,0|0,0,0]=2 2646 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [1,1,0,0,0,0|0,0,0]=2 2647 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [1,1,0,0,0,0|0,0,0]=2 2648 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2649 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2650 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [1,1,0,0,0,0|0,0,0]=2 2651 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [1,1,0,0,0,0|0,0,0]=2 2652 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [1,1,0,0,0,0|0,0,0]=2 2653 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [1,1,0,0,0,0|0,0,0]=2 2654 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [1,1,0,0,0,0|1,0,1]=4 2655 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [1,1,0,0,0,0|1,0,1]=4 2656 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [1,1,0,0,0,0|1,0,1]=4 2657 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [1,1,0,0,0,0|1,0,1]=4 2658 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [1,1,0,0,0,0|0,0,0]=2 2659 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [1,1,0,0,0,0|0,0,0]=2 2660 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [1,1,0,0,0,0|0,0,0]=2 2661 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [1,1,0,0,0,0|1,0,0]=3 2662 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [1,1,0,0,0,0|1,0,0]=3 2663 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [1,1,0,0,0,0|0,0,0]=2 2664 B12R1.48 COc1ccc(cc1Cl)C(C)C 34a_100012182850_200000210301 [1,1,0,0,0,0|1,0,1]=4 2665 B12R1.48 COc1ccc(cc1Cl)C(C)C 7a_100012182850_200000210301 [1,1,0,0,0,0|1,0,1]=4 2666 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [1,1,0,0,0,0|1,0,1]=4 2667 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [1,1,0,0,0,0|1,0,1]=4 2668 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [1,1,0,0,0,0|0,0,0]=2 2669 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [1,1,0,0,0,0|0,0,0]=2 2670 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [1,1,0,0,0,0|0,0,0]=2 2671 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [1,1,0,0,0,0|0,0,0]=2 2672 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [1,1,0,0,0,0|1,0,1]=4 2673 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [1,1,0,0,0,0|1,0,1]=4 2674 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [1,1,0,0,0,0|0,0,0]=2 2675 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [1,1,0,0,0,0|0,0,0]=2 2676 B12R1.48 COc1ccc(cc1I)N(C)C 269982a_114948341033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2677 B12R1.48 COc1ccc(cc1I)N(C)C 34a_114948341033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2678 B12R1.48 COc1ccc(cc1I)N(C)C 38a_114948341033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2679 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 269982a_114948341033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 34a_114948341033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2681 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 38a_114948341033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2682 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [1,1,0,0,0,0|1,0,1]=4 2683 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [1,1,0,0,0,0|1,0,1]=4 2684 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [1,1,0,0,0,0|0,0,0]=2 2685 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [1,1,0,0,0,0|0,0,0]=2 2686 B12R1.48 COc1ccc(cc1N)C(C)C 34a_200000187366_200000210301 [1,1,0,0,0,0|1,0,1]=4 2687 B12R1.48 COc1ccc(cc1N)C(C)C 7a_200000187366_200000210301 [1,1,0,0,0,0|1,0,1]=4 2688 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [1,1,0,0,0,0|1,0,1]=4 2689 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [1,1,0,0,0,0|1,0,1]=4 2690 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [1,1,0,0,0,0|0,0,0]=2 2691 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [1,1,0,0,0,0|0,0,0]=2 2692 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [1,1,0,0,0,0|0,0,0]=2 2693 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [1,1,0,0,0,0|0,0,2]=4 2694 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [1,1,0,0,0,0|0,1,0]=3 2695 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [1,1,0,0,0,0|0,1,0]=3 2696 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [1,1,0,0,0,0|1,1,0]=4 2697 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [1,1,0,0,0,0|1,1,0]=4 2698 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [1,1,0,0,0,0|0,1,0]=3 2699 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [1,1,0,0,0,0|0,1,0]=3 2700 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [1,1,0,0,0,0|1,1,0]=4 2701 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [1,1,0,0,0,0|1,1,0]=4 2702 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [1,1,0,0,0,0|0,1,0]=3 2703 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [1,1,0,0,0,0|0,1,0]=3 2704 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [1,1,0,0,0,0|1,1,0]=4 2705 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [1,1,0,0,0,0|1,1,0]=4 2706 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [1,1,0,0,0,0|0,1,0]=3 2707 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [1,1,0,0,0,0|1,1,0]=4 2708 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [1,1,0,0,0,0|1,1,0]=4 2709 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [1,1,0,0,0,0|1,1,0]=4 2710 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [1,1,0,0,0,0|1,1,0]=4 2711 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [1,1,0,0,0,0|1,1,0]=4 2712 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [1,1,0,0,0,0|1,1,0]=4 2713 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [1,1,0,0,0,0|2,0,0]=4 2714 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [1,1,0,0,0,0|2,0,0]=4 2715 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [1,1,0,0,0,0|2,0,0]=4 2716 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [1,1,0,0,0,0|1,0,1]=4 2717 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [1,1,0,0,0,0|1,0,1]=4 2718 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [1,1,0,0,0,0|1,0,1]=4 2719 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [1,1,0,0,0,0|1,0,1]=4 2720 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [1,1,0,0,0,0|1,1,0]=4 2721 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [1,1,0,0,0,0|1,1,0]=4 2722 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [1,1,0,0,0,0|2,0,0]=4 2723 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [1,1,0,0,0,0|2,0,0]=4 2724 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [1,1,0,0,0,0|2,0,0]=4 2725 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [1,1,0,0,0,0|2,0,0]=4 2726 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2727 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2728 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [1,1,0,0,0,0|1,0,0]=3 2729 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [1,1,0,0,0,0|1,0,0]=3 2730 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [1,1,0,0,0,0|1,0,1]=4 2731 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [1,1,0,0,0,0|1,0,1]=4 2732 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [1,1,0,0,0,0|1,0,1]=4 2733 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [1,1,0,0,0,0|1,0,1]=4 2734 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [1,1,0,0,0,0|1,0,1]=4 2735 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [1,1,0,0,0,0|1,0,1]=4 2736 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [1,1,0,0,0,0|1,0,1]=4 2737 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [1,1,0,0,0,0|1,0,1]=4 2738 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [1,1,0,0,0,0|1,1,0]=4 2739 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [1,1,0,0,0,0|1,1,0]=4 2740 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [1,1,0,0,0,0|1,1,0]=4 2741 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [1,1,0,0,0,0|1,1,0]=4 2742 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [1,1,0,0,0,0|1,1,0]=4 2743 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [1,1,0,0,0,0|1,1,0]=4 2744 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [1,1,0,0,0,0|2,0,0]=4 2745 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [1,1,0,0,0,0|2,0,0]=4 2746 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [1,1,0,0,0,0|2,0,0]=4 2747 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [1,1,0,0,0,0|2,0,0]=4 2748 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [1,1,0,0,0,0|2,0,0]=4 2749 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [1,1,0,0,0,0|2,0,0]=4 2750 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [1,1,0,0,0,0|2,0,0]=4 2751 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [1,1,0,0,0,0|1,0,0]=3 2752 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [1,1,0,0,0,0|1,0,0]=3 2754 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [1,1,0,0,0,0|1,0,0]=3 2755 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [1,1,0,0,0,0|1,0,0]=3 2756 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [1,1,0,0,0,0|1,0,0]=3 2757 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [1,1,0,0,0,0|1,0,0]=3 2758 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [1,1,0,0,0,0|1,1,0]=4 2759 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [1,1,0,0,0,0|1,1,0]=4 2760 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [1,1,0,0,0,0|1,1,0]=4 2761 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [1,1,0,0,0,0|1,1,0]=4 2762 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [1,1,0,0,0,0|1,1,0]=4 2763 B12R1.113 C=C(C)c1ccc(cn1)OCC 271570a_100000694244_100000753957 [1,1,0,0,0,0|2,0,0]=4 2764 B12R1.113 C=C(C)c1ccc(nc1)OCC 271570a_100000694244_100011219444 [1,1,0,0,0,0|2,0,0]=4 2765 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [1,1,0,0,0,0|1,0,1]=4 2766 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [1,1,0,0,0,0|1,0,0]=3 2767 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [1,1,0,0,0,0|1,0,0]=3 2768 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [1,1,0,0,0,0|1,0,1]=4 2769 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [1,1,0,0,0,0|1,0,0]=3 2770 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [1,1,0,0,0,0|0,0,0]=2 2771 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [1,1,0,0,0,0|0,1,0]=3 2772 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [1,1,0,0,0,0|0,1,0]=3 2773 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [1,1,0,0,0,0|2,0,0]=4 2774 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [1,1,0,0,0,0|0,0,0]=2 2775 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [1,1,0,0,0,0|0,0,0]=2 2776 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [1,1,0,0,0,0|0,1,0]=3 2777 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [1,1,0,0,0,0|0,1,0]=3 2778 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [1,1,0,0,0,0|1,0,0]=3 2779 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [1,1,0,0,0,0|1,0,0]=3 2780 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100000686046_100015361967 [1,1,0,0,0,0|1,1,0]=4 2781 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100015361967_100000686046 [1,1,0,0,0,0|1,1,0]=4 2782 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100000684857_100015361967 [1,1,0,0,0,0|1,1,0]=4 2783 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100015361967_100000684857 [1,1,0,0,0,0|1,1,0]=4 2784 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [1,1,0,0,0,0|1,0,1]=4 2785 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [1,1,0,0,0,0|1,0,1]=4 2786 B12R1.113 CC(C)c1ccc(cc1)OCF 34a_100000181308_100015361967 [1,1,0,0,0,0|1,0,1]=4 2787 B12R1.113 CC(C)c1ccc(cc1)OCF 7a_100000181308_100015361967 [1,1,0,0,0,0|1,0,1]=4 2788 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [1,1,0,0,0,0|0,0,2]=4 2789 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [1,1,0,0,0,0|0,0,2]=4 2790 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [1,1,0,0,0,0|1,0,0]=3 2791 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [1,1,0,0,0,0|2,0,0]=4 2792 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [1,1,0,0,0,0|2,0,0]=4 2793 B12R1.113 CC=Cc1ccc(cn1)C(=O)C 271570a_100016259895_100000684857 [1,1,0,0,0,0|2,0,0]=4 2794 B12R1.113 CC=Cc1ccc(nc1)C(=O)C 271570a_100016259895_100000686046 [1,1,0,0,0,0|2,0,0]=4 2795 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [1,1,0,0,0,0|1,0,0]=3 2796 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [1,1,0,0,0,0|1,0,0]=3 2797 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [1,1,0,0,0,0|2,0,0]=4 2798 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2799 B12R1.113 CCNc1ccc(cn1)C(=O)C 27a_100015525214_100000690552 [1,1,0,0,0,0|2,0,0]=4 2800 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [1,1,0,0,0,0|0,0,0]=2 2801 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [1,1,0,0,0,0|0,0,0]=2 2802 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [1,1,0,0,0,0|0,0,0]=2 2803 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [1,1,0,0,0,0|1,0,0]=3 2804 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [1,1,0,0,0,0|1,0,0]=3 2805 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [1,1,0,0,0,0|0,0,0]=2 2806 B12R1.113 CCOc1ccc(cc1)C(C)C 34a_100000181308_100000210202 [1,1,0,0,0,0|1,0,1]=4 2807 B12R1.113 CCOc1ccc(cc1)C(C)C 7a_100000181308_100000210202 [1,1,0,0,0,0|1,0,1]=4 2808 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [1,1,0,0,0,0|0,0,2]=4 2809 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [1,1,0,0,0,0|0,0,2]=4 2810 B12R1.113 CCOc1ccc(cc1)N(C)C 2230a_100025784348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2811 B12R1.113 CCOc1ccc(cc1)N(C)C 269982a_100025784348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2812 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100000718910_100000210202 [1,1,0,0,0,0|2,0,0]=4 2813 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100025784348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2814 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 2230a_100025784348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2815 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 269982a_100025784348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2816 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 34a_100025784348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2817 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [1,1,0,0,0,0|1,0,0]=3 2818 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [1,1,0,0,0,0|1,0,0]=3 2819 B12R1.113 CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210202 [1,1,0,0,0,0|1,0,1]=4 2820 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [1,1,0,0,0,0|1,0,1]=4 2821 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [1,1,0,0,0,0|1,0,1]=4 2822 B12R1.113 CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210202 [1,1,0,0,0,0|2,0,0]=4 2823 B12R1.113 CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210202 [1,1,0,0,0,0|2,0,0]=4 2824 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [1,1,0,0,0,0|1,0,0]=3 2825 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [1,1,0,0,0,0|1,0,0]=3 2826 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [1,1,0,0,0,0|0,1,0]=3 2827 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [1,1,0,0,0,0|0,1,0]=3 2828 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [1,1,0,0,0,0|0,1,0]=3 2829 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [1,1,0,0,0,0|1,1,0]=4 2830 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [1,1,0,0,0,0|1,1,0]=4 2831 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [1,1,0,0,0,0|0,1,0]=3 2832 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [1,1,0,0,0,0|1,1,0]=4 2833 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000210202_100000684857 [1,1,0,0,0,0|1,1,0]=4 2834 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210202 [1,1,0,0,0,0|1,1,0]=4 2835 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000210202_100000686046 [1,1,0,0,0,0|1,1,0]=4 2836 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210202 [1,1,0,0,0,0|1,1,0]=4 2837 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.113 CN(C)c1ccc(cc1)OCF 34a_100000718910_100015361967 [1,1,0,0,0,0|2,0,0]=4 2839 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [1,1,0,0,0,0|1,0,0]=3 2840 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [1,1,0,0,0,0|1,0,0]=3 2841 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [1,1,0,0,0,0|1,0,0]=3 2842 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [1,1,0,0,0,0|1,0,0]=3 2843 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [1,1,0,0,0,0|2,0,0]=4 2845 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [1,1,0,0,0,0|2,0,0]=4 2846 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [1,1,0,0,0,0|2,0,0]=4 2847 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [1,1,0,0,0,0|2,0,0]=4 2848 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [1,1,0,0,0,0|1,0,0]=3 2849 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [1,1,0,0,0,0|1,0,1]=4 2850 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [1,1,0,0,0,0|2,0,0]=4 2851 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [1,1,0,0,0,0|2,0,0]=4 2852 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [1,1,0,0,0,0|1,0,1]=4 2853 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [1,1,0,0,0,0|0,0,0]=2 2854 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [1,1,0,0,0,0|0,0,0]=2 2855 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [1,1,0,0,0,0|0,0,0]=2 2856 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [1,1,0,0,0,0|1,0,0]=3 2857 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [1,1,0,0,0,0|1,0,0]=3 2858 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [1,1,0,0,0,0|1,0,0]=3 2859 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [1,1,0,0,0,0|0,0,0]=2 2860 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [1,1,0,0,0,0|1,0,1]=4 2861 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [1,1,0,0,0,0|1,0,1]=4 2862 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [1,1,0,0,0,0|1,0,1]=4 2863 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [1,1,0,0,0,0|2,0,0]=4 2864 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [1,1,0,0,0,0|1,0,1]=4 2865 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [1,1,0,0,0,0|1,0,1]=4 2866 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [1,1,0,0,0,0|1,0,0]=3 2867 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [1,1,0,0,0,0|1,0,0]=3 2868 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [1,1,0,0,0,0|1,1,0]=4 2869 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [1,1,0,0,0,0|0,1,0]=3 2870 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [1,1,0,0,0,0|0,1,0]=3 2871 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [1,1,0,0,0,0|0,1,0]=3 2872 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [1,1,0,0,0,0|1,1,0]=4 2873 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [1,1,0,0,0,0|1,1,0]=4 2874 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [1,1,0,0,0,0|0,1,0]=3 2875 B12R1.113 C[C@H](N)c1ccc(cc1)OCF 34a_100161106496_100015361967 [1,1,0,0,0,0|1,0,1]=4 2876 B12R1.113 C[S+](C)c1ccc(cc1)OCF 34a_100010188728_100015361967 [1,1,0,0,0,0|2,0,0]=4 2877 B12R1.113 C[S+](C)c1ccc(cc1)OCF 7a_100010188728_100015361967 [1,1,0,0,0,0|2,0,0]=4 2878 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [1,1,0,0,0,0|2,0,0]=4 2879 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [1,1,0,0,0,0|1,0,0]=3 2880 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [1,1,0,0,0,0|1,0,0]=3 2881 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [1,1,0,0,0,0|1,1,0]=4 2882 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [1,1,0,0,0,0|1,1,0]=4 2883 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [1,1,0,0,0,0|1,0,1]=4 2884 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [1,1,0,0,0,0|1,0,1]=4 2885 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [1,1,0,0,0,0|1,0,1]=4 2886 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [1,1,0,0,0,0|1,0,0]=3 2887 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [1,1,0,0,0,0|1,0,0]=3 2889 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [1,1,0,0,0,0|2,0,0]=4 2890 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [1,1,0,0,0,0|1,0,0]=3 2891 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [1,1,0,0,0,0|1,0,0]=3 2892 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [1,1,0,0,0,0|1,0,1]=4 2893 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [1,1,0,0,0,0|1,1,0]=4 2894 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [1,1,0,0,0,0|1,1,0]=4 2895 B12R1.256 C=C(C)c1ccc(cc1)C(=C)C 271570a_100000694244_100000185454 [1,1,0,0,0,0|2,0,0]=4 2896 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [1,1,0,0,0,0|1,0,0]=3 2897 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [1,1,0,0,0,0|1,0,0]=3 2898 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [1,1,0,0,0,0|2,0,0]=4 2899 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [1,1,0,0,0,0|1,0,0]=3 2900 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [1,1,0,0,0,0|2,0,0]=4 2901 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [1,1,0,0,0,0|2,0,0]=4 2902 B12R1.256 C=C(C)c1ccc(cc1)N(C)C 271570a_100000694244_100000210421 [1,1,0,0,0,0|2,0,0]=4 2903 B12R1.256 C=C(C)c1ccc(cc1)S(=O)C 271570a_100000694244_100009816266 [1,1,0,0,0,0|1,1,0]=4 2904 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [1,1,0,0,0,0|2,0,0]=4 2905 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [1,1,0,0,0,0|2,0,0]=4 2906 B12R1.256 C=C(C)c1ccc(cn1)C(=O)C 271570a_100000694244_100000684857 [1,1,0,0,0,0|2,0,0]=4 2907 B12R1.256 C=C(C)c1ccc(nc1)C(=O)C 271570a_100000694244_100000686046 [1,1,0,0,0,0|2,0,0]=4 2908 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [1,1,0,0,0,0|2,0,0]=4 2909 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [1,1,0,0,0,0|1,0,0]=3 2910 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [1,1,0,0,0,0|1,0,0]=3 2911 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [1,1,0,0,0,0|2,0,0]=4 2912 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [1,1,0,0,0,0|1,0,0]=3 2913 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [1,1,0,0,0,0|0,1,0]=3 2914 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [1,1,0,0,0,0|2,0,0]=4 2915 B12R1.256 CC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000690552 [1,1,0,0,0,0|2,0,0]=4 2916 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [1,1,0,0,0,0|1,0,0]=3 2917 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [1,1,0,0,0,0|1,0,0]=3 2918 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [1,1,0,0,0,0|2,0,0]=4 2919 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [1,1,0,0,0,0|1,0,0]=3 2920 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [1,1,0,0,0,0|0,1,0]=3 2921 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [1,1,0,0,0,0|2,0,0]=4 2922 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [1,1,0,0,0,0|2,0,0]=4 2923 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [1,1,0,0,0,0|2,0,0]=4 2924 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [1,1,0,0,0,0|1,0,1]=4 2925 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [1,1,0,0,0,0|1,0,1]=4 2926 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [1,1,0,0,0,0|2,0,0]=4 2927 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [1,1,0,0,0,0|1,0,0]=3 2928 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [1,1,0,0,0,0|2,0,0]=4 2929 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [1,1,0,0,0,0|1,0,0]=3 2930 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [1,1,0,0,0,0|2,0,0]=4 2931 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [1,1,0,0,0,0|2,0,0]=4 2932 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [1,1,0,0,0,0|1,0,0]=3 2933 B12R1.452 C=C(C)c1ccc(cc1F)SC 271570a_100000694244_100009816902 [1,1,0,0,0,0|1,1,0]=4 2934 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [1,1,0,0,0,0|1,0,0]=3 2935 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [1,1,0,0,0,0|1,0,0]=3 2936 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [1,1,0,0,0,0|2,0,0]=4 2937 B12R1.452 C=C(C)c1ccc(nc1F)OC 271570a_100000694244_100010067559 [1,1,0,0,0,0|2,0,0]=4 2938 B12R1.452 C=C(C)c1ccc(nc1N)OC 271570a_100000694244_100010187629 [1,1,0,0,0,0|2,0,0]=4 2939 B12R1.452 C=C(C)c1cnc(cc1C)OC 271570a_100000694244_100011934368 [1,1,0,0,0,0|2,0,0]=4 2940 B12R1.452 C=C(C)c1cnc(cc1F)OC 271570a_100000694244_100010136277 [1,1,0,0,0,0|2,0,0]=4 2941 B12R1.452 C=C(C)c1cnc(cc1N)OC 271570a_100000694244_100010254562 [1,1,0,0,0,0|2,0,0]=4 2942 B12R1.452 C=C(C)c1cnc(cc1O)OC 271570a_100000694244_100010738159 [1,1,0,0,0,0|2,0,0]=4 2943 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [1,1,0,0,0,0|2,0,0]=4 2944 B12R1.452 C=C(C)c1ncc(cc1N)OC 271570a_100000694244_100010074831 [1,1,0,0,0,0|2,0,0]=4 2945 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [1,1,0,0,0,0|1,0,1]=4 2946 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [1,1,0,0,0,0|1,0,1]=4 2947 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [1,1,0,0,0,0|1,0,1]=4 2948 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [1,1,0,0,0,0|1,0,1]=4 2949 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2950 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [1,1,0,0,0,0|0,0,0]=2 2951 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [1,1,0,0,0,0|0,0,0]=2 2952 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [1,1,0,0,0,0|2,0,0]=4 2953 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [1,1,0,0,0,0|0,0,0]=2 2954 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [1,1,0,0,0,0|0,0,0]=2 2955 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [1,1,0,0,0,0|0,1,0]=3 2956 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [1,1,0,0,0,0|0,1,0]=3 2957 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [1,1,0,0,0,0|2,0,0]=4 2958 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [1,1,0,0,0,0|2,0,0]=4 2959 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [1,1,0,0,0,0|0,0,0]=2 2960 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [1,1,0,0,0,0|0,0,0]=2 2961 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [1,1,0,0,0,0|2,0,0]=4 2962 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [1,1,0,0,0,0|2,0,0]=4 2963 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [1,1,0,0,0,0|0,0,0]=2 2964 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [1,1,0,0,0,0|0,0,0]=2 2965 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [1,1,0,0,0,0|0,1,0]=3 2966 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [1,1,0,0,0,0|0,1,0]=3 2967 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [1,1,0,0,0,0|1,1,0]=4 2968 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [1,1,0,0,0,0|1,1,0]=4 2969 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2970 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [1,1,0,0,0,0|1,0,0]=3 2971 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [1,1,0,0,0,0|2,0,0]=4 2972 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [1,1,0,0,0,0|2,0,0]=4 2973 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [1,1,0,0,0,0|2,0,0]=4 2974 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [1,1,0,0,0,0|2,0,0]=4 2975 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2976 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2977 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [1,1,0,0,0,0|1,0,0]=3 2978 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [1,1,0,0,0,0|2,0,0]=4 2979 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [1,1,0,0,0,0|2,0,0]=4 2980 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [1,1,0,0,0,0|2,0,0]=4 2981 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [1,1,0,0,0,0|2,0,0]=4 2982 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [1,1,0,0,0,0|2,0,0]=4 2983 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [1,1,0,0,0,0|0,0,0]=2 2984 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [1,1,0,0,0,0|0,0,0]=2 2985 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [1,1,0,0,0,0|0,0,0]=2 2986 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [1,1,0,0,0,0|0,0,0]=2 2987 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [1,1,0,0,0,0|1,0,1]=4 2988 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [1,1,0,0,0,0|1,0,1]=4 2989 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [1,1,0,0,0,0|0,0,0]=2 2990 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [1,1,0,0,0,0|0,0,0]=2 2991 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [1,1,0,0,0,0|0,0,0]=2 2992 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [1,1,0,0,0,0|0,0,0]=2 2993 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [1,1,0,0,0,0|1,0,1]=4 2994 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [1,1,0,0,0,0|1,0,1]=4 2995 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 2996 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 2997 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 2998 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 2999 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 3000 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 3001 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 3002 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 3003 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [1,1,0,0,0,0|1,0,1]=4 3004 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [1,1,0,0,0,0|1,0,1]=4 3005 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [1,1,0,0,0,0|0,0,0]=2 3006 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [1,1,0,0,0,0|0,0,0]=2 3007 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [1,1,0,0,0,0|0,0,0]=2 3008 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [1,1,0,0,0,0|1,0,0]=3 3009 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [1,1,0,0,0,0|1,0,0]=3 3010 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [1,1,0,0,0,0|0,0,0]=2 3011 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [1,1,0,0,0,0|1,0,1]=4 3012 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [1,1,0,0,0,0|1,0,1]=4 3013 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [1,1,0,0,0,0|0,0,0]=2 3014 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [1,1,0,0,0,0|0,0,0]=2 3015 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [1,1,0,0,0,0|0,0,0]=2 3016 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [1,1,0,0,0,0|1,0,0]=3 3017 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [1,1,0,0,0,0|1,0,0]=3 3018 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [1,1,0,0,0,0|0,0,0]=2 3019 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [1,1,0,0,0,0|1,0,1]=4 3020 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [1,1,0,0,0,0|0,0,0]=2 3021 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [1,1,0,0,0,0|0,0,0]=2 3022 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [1,1,0,0,0,0|1,0,1]=4 3023 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [1,1,0,0,0,0|1,0,0]=3 3024 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [1,1,0,0,0,0|1,0,0]=3 3025 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [1,1,0,0,0,0|1,0,1]=4 3026 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [1,1,0,0,0,0|0,0,0]=2 3027 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [1,1,0,0,0,0|0,0,0]=2 3028 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [1,1,0,0,0,0|1,0,0]=3 3029 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [1,1,0,0,0,0|0,0,0]=2 3030 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [1,1,0,0,0,0|0,0,2]=4 3031 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [1,1,0,0,0,0|1,1,0]=4 3032 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [1,1,0,0,0,0|0,1,0]=3 3033 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [1,1,0,0,0,0|0,1,0]=3 3034 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [1,1,0,0,0,0|0,1,0]=3 3035 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [1,1,0,0,0,0|1,1,0]=4 3036 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [1,1,0,0,0,0|1,1,0]=4 3037 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [1,1,0,0,0,0|0,1,0]=3 3038 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [1,1,0,0,0,0|0,1,0]=3 3039 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [1,1,0,0,0,0|1,1,0]=4 3040 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [1,1,0,0,0,0|0,1,0]=3 3041 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [1,1,0,0,0,0|1,1,0]=4 3042 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [1,1,0,0,0,0|1,1,0]=4 3043 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [1,1,0,0,0,0|1,1,0]=4 3044 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [1,1,0,0,0,0|1,1,0]=4 3045 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [1,1,0,0,0,0|2,0,0]=4 3046 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [1,1,0,0,0,0|2,0,0]=4 3047 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [1,1,0,0,0,0|1,1,0]=4 3048 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [1,1,0,0,0,0|1,1,0]=4 3049 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [1,1,0,0,0,0|1,0,1]=4 3051 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [1,1,0,0,0,0|1,0,1]=4 3052 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [1,1,0,0,0,0|1,0,1]=4 3053 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [1,1,0,0,0,0|1,0,1]=4 3054 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [1,1,0,0,0,0|2,0,0]=4 3055 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3056 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [1,1,0,0,0,0|2,0,0]=4 3057 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [1,1,0,0,0,0|2,0,0]=4 3058 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [1,1,0,0,0,0|2,0,0]=4 3059 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3060 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [1,1,0,0,0,0|2,0,0]=4 3062 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [1,1,0,0,0,0|2,0,0]=4 3064 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [1,1,0,0,0,0|2,0,0]=4 3065 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [1,1,0,0,0,0|1,0,1]=4 3066 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [1,1,0,0,0,0|1,0,1]=4 3067 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [1,1,0,0,0,0|1,0,0]=3 3068 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [1,1,0,0,0,0|1,0,0]=3 3069 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [1,1,0,0,0,0|1,0,1]=4 3070 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [1,1,0,0,0,0|1,0,1]=4 3071 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [1,1,0,0,0,0|1,0,0]=3 3072 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [1,1,0,0,0,0|1,0,0]=3 3073 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [1,1,0,0,0,0|1,0,1]=4 3074 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [1,1,0,0,0,0|1,0,1]=4 3075 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [1,1,0,0,0,0|1,0,0]=3 3076 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [1,1,0,0,0,0|1,0,0]=3 3077 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [1,1,0,0,0,0|1,0,1]=4 3078 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [1,1,0,0,0,0|1,1,0]=4 3079 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [1,1,0,0,0,0|1,1,0]=4 3080 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [1,1,0,0,0,0|1,1,0]=4 3081 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [1,1,0,0,0,0|1,1,0]=4 3082 B12R1.9 CCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765143 [1,1,0,0,0,0|2,0,0]=4 3083 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 270084a_100102657272_100000211267 [1,1,0,0,0,0|2,0,0]=4 3084 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 274078a_100102657272_100000211267 [1,1,0,0,0,0|2,0,0]=4 3085 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C 40a_100102657272_100000039673 [1,1,0,0,0,0|2,0,0]=4 3086 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 270084a_100102657272_100020667864 [1,1,0,0,0,0|2,0,0]=4 3087 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000754977 [1,1,0,0,0,0|2,0,0]=4 3088 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 274078a_100102657272_100020667864 [1,1,0,0,0,0|2,0,0]=4 3089 B12R1.9 COC(C)(C)c1ccc(cc1)C 34a_200011345916_200000210301 [1,1,0,0,0,0|1,0,1]=4 3090 B12R1.9 COC(C)(C)c1ccc(cc1)C 7a_200011345916_200000210301 [1,1,0,0,0,0|1,0,1]=4 3091 B12R1.9 COS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000004522 [1,1,0,0,0,0|1,0,0]=3 3092 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 34a_200011345916_200025704644 [1,1,0,0,0,0|1,0,1]=4 3093 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 7a_200011345916_200025704644 [1,1,0,0,0,0|1,0,1]=4 3094 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [1,1,0,0,0,0|1,0,1]=4 3095 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [1,1,0,0,0,0|1,0,1]=4 3097 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [1,1,0,0,0,0|1,0,1]=4 3098 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [1,1,0,0,0,0|0,0,2]=4 3099 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [1,1,0,0,0,0|1,0,1]=4 3100 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [1,1,0,0,0,0|1,0,1]=4 3101 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [1,1,0,0,0,0|1,0,1]=4 3102 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [1,1,0,0,0,0|1,0,1]=4 3103 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [1,1,0,0,0,0|1,0,1]=4 3104 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [1,1,0,0,0,0|1,0,1]=4 3105 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [1,1,0,0,0,0|1,0,1]=4 3106 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [1,1,0,0,0,0|1,0,1]=4 3107 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [1,1,0,0,0,0|1,0,0]=3 3108 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [1,1,0,0,0,0|2,0,0]=4 3109 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [1,1,0,0,0,0|1,0,0]=3 3110 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [1,1,0,0,0,0|2,0,0]=4 3111 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [1,1,0,0,0,0|1,0,0]=3 3114 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [1,1,0,0,0,0|1,0,0]=3 3115 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [1,1,0,0,0,0|2,0,0]=4 3116 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [1,1,0,0,0,0|2,0,0]=4 3117 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [1,1,0,0,0,0|2,0,0]=4 3118 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [1,1,0,0,0,0|2,0,0]=4 3119 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [1,1,0,0,0,0|1,0,0]=3 3120 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [1,1,0,0,0,0|1,0,0]=3 3121 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [1,1,0,0,0,0|1,0,0]=3 3122 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [1,1,0,0,0,0|2,0,0]=4 3123 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [1,1,0,0,0,0|2,0,0]=4 3124 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [1,1,0,0,0,0|2,0,0]=4 3125 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [1,1,0,0,0,0|2,0,0]=4 3129 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [1,1,0,0,0,0|1,0,0]=3 3132 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [1,1,0,0,0,0|1,0,0]=3 3133 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [1,1,0,0,0,0|1,0,0]=3 3134 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [1,1,0,0,0,0|0,0,0]=2 3137 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [1,1,0,0,0,0|1,0,0]=3 3138 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [1,1,0,0,0,0|1,0,0]=3 3139 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.16 CCOC(=O)c1cnc(nc1)O 271570a_203496583355_100011935661 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.16 CCOC(=O)c1ncc(cn1)O 271570a_203496583355_100010168878 [1,1,0,0,0,0|2,0,0]=4 3143 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [1,1,0,0,0,0|1,0,1]=4 3144 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [1,1,0,0,0,0|1,0,1]=4 3145 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [1,1,0,0,0,0|1,0,1]=4 3146 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [1,1,0,0,0,0|2,0,0]=4 3147 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [1,1,0,0,0,0|1,0,0]=3 3149 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [1,1,0,0,0,0|1,0,0]=3 3150 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [1,1,0,0,0,0|1,0,0]=3 3151 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [1,1,0,0,0,0|2,0,0]=4 3152 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [1,1,0,0,0,0|2,0,0]=4 3153 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [1,1,0,0,0,0|2,0,0]=4 3154 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [1,1,0,0,0,0|2,0,0]=4 3155 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [1,1,0,0,0,0|1,0,0]=3 3156 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [1,1,0,0,0,0|1,0,0]=3 3157 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [1,1,0,0,0,0|2,0,0]=4 3158 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [1,1,0,0,0,0|1,0,0]=3 3159 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [1,1,0,0,0,0|2,0,0]=4 3160 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [1,1,0,0,0,0|2,0,0]=4 3161 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [1,1,0,0,0,0|2,0,0]=4 3162 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [1,1,0,0,0,0|1,0,0]=3 3163 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [1,1,0,0,0,0|1,0,0]=3 3164 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [1,1,0,0,0,0|0,0,0]=2 3165 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [1,1,0,0,0,0|1,0,0]=3 3166 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [1,1,0,0,0,0|1,0,0]=3 3167 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [1,1,0,0,0,0|0,0,0]=2 3168 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [1,1,0,0,0,0|0,0,0]=2 3169 B12R1.16 COCN(C)c1ccc(cc1)C 2230a_100000219977_100000766300 [1,1,0,0,0,0|2,0,0]=4 3170 B12R1.16 COCN(C)c1ccc(cc1)C 269982a_100000219977_100000766300 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.16 COCN(C)c1ccc(cc1)O 269982a_100000182112_100000766300 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [1,1,0,0,0,0|1,0,1]=4 3173 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [1,1,0,0,0,0|1,1,0]=4 3174 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [1,1,0,0,0,0|0,1,0]=3 3175 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [1,1,0,0,0,0|0,1,0]=3 3176 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [1,1,0,0,0,0|1,1,0]=4 3177 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [1,1,0,0,0,0|1,1,0]=4 3178 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [1,1,0,0,0,0|1,1,0]=4 3179 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [1,1,0,0,0,0|1,1,0]=4 3180 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [1,1,0,0,0,0|1,1,0]=4 3181 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [1,1,0,0,0,0|1,1,0]=4 3182 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [1,1,0,0,0,0|0,1,0]=3 3183 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [1,1,0,0,0,0|0,1,0]=3 3184 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_100012027583_200000210301 [1,1,0,0,0,0|1,1,0]=4 3185 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_200000210301_100012027583 [1,1,0,0,0,0|1,1,0]=4 3186 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [1,1,0,0,0,0|1,0,1]=4 3187 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [1,1,0,0,0,0|1,0,0]=3 3188 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [1,1,0,0,0,0|1,0,0]=3 3189 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [1,1,0,0,0,0|0,1,0]=3 3190 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [1,1,0,0,0,0|0,1,0]=3 3191 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [1,1,0,0,0,0|1,0,1]=4 3192 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [1,1,0,0,0,0|1,0,1]=4 3193 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [1,1,0,0,0,0|1,0,1]=4 3194 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_100012027583_200025704644 [1,1,0,0,0,0|1,1,0]=4 3195 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_200025704644_100012027583 [1,1,0,0,0,0|1,1,0]=4 3196 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [1,1,0,0,0,0|1,0,1]=4 3197 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [1,1,0,0,0,0|1,0,1]=4 3198 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [1,1,0,0,0,0|2,0,0]=4 3199 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [1,1,0,0,0,0|2,0,0]=4 3200 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [1,1,0,0,0,0|2,0,0]=4 3201 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [1,1,0,0,0,0|2,0,0]=4 3202 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [1,1,0,0,0,0|1,0,0]=3 3203 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [1,1,0,0,0,0|2,0,0]=4 3207 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [1,1,0,0,0,0|1,0,0]=3 3208 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [1,1,0,0,0,0|1,0,0]=3 3209 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [1,1,0,0,0,0|1,1,0]=4 3210 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [1,1,0,0,0,0|1,1,0]=4 3211 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [1,1,0,0,0,0|1,1,0]=4 3212 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [1,1,0,0,0,0|1,1,0]=4 3213 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [1,1,0,0,0,0|1,1,0]=4 3214 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [1,1,0,0,0,0|1,1,0]=4 3215 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [1,1,0,0,0,0|1,1,0]=4 3216 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [1,1,0,0,0,0|0,1,0]=3 3217 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [1,1,0,0,0,0|0,1,0]=3 3218 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [1,1,0,0,0,0|2,0,0]=4 3219 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [1,1,0,0,0,0|2,0,0]=4 3220 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [1,1,0,0,0,0|2,0,0]=4 3221 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [1,1,0,0,0,0|2,0,0]=4 3222 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [1,1,0,0,0,0|2,0,0]=4 3223 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [1,1,0,0,0,0|2,0,0]=4 3224 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [1,1,0,0,0,0|1,0,0]=3 3225 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [1,1,0,0,0,0|1,0,0]=3 3226 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [1,1,0,0,0,0|2,0,0]=4 3227 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 11a_100102631434_100000185839 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 1626a_100102631434_100000185839 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 240690a_100102631434_100000185839 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 527a_100102631434_100000185839 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 11a_100102631434_100000210187 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 1626a_100102631434_100000210187 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 240690a_100102631434_100000210187 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 527a_100102631434_100000210187 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 11a_100102631434_100000187176 [1,1,0,0,0,0|2,0,0]=4 3236 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 1626a_100102631434_100000187176 [1,1,0,0,0,0|2,0,0]=4 3237 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 240690a_100102631434_100000187176 [1,1,0,0,0,0|2,0,0]=4 3238 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 527a_100102631434_100000187176 [1,1,0,0,0,0|2,0,0]=4 3239 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 11a_100102631434_100000187904 [1,1,0,0,0,0|2,0,0]=4 3240 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 1626a_100102631434_100000187904 [1,1,0,0,0,0|2,0,0]=4 3241 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 240690a_100102631434_100000187904 [1,1,0,0,0,0|2,0,0]=4 3242 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 527a_100102631434_100000187904 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [1,1,0,0,0,0|1,0,0]=3 3244 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [1,1,0,0,0,0|1,0,0]=3 3245 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [1,1,0,0,0,0|1,0,0]=3 3246 B12R1.20 CN(C)C(=O)c1ccc(cn1)O 271570a_203496583355_200011781295 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.20 CN(C)C(=O)c1ccc(nc1)O 271570a_203496583355_100000159593 [1,1,0,0,0,0|2,0,0]=4 3248 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [1,1,0,0,0,0|1,0,0]=3 3249 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000188618 [1,1,0,0,0,0|1,0,0]=3 3250 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000188618 [1,1,0,0,0,0|1,0,0]=3 3251 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000188618 [1,1,0,0,0,0|1,0,0]=3 3252 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000188618 [1,1,0,0,0,0|1,0,0]=3 3253 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [1,1,0,0,0,0|1,0,0]=3 3256 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [1,1,0,0,0,0|2,0,0]=4 3259 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [1,1,0,0,0,0|1,0,0]=3 3260 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [1,1,0,0,0,0|1,0,0]=3 3262 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [1,1,0,0,0,0|2,0,0]=4 3263 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [1,1,0,0,0,0|2,0,0]=4 3264 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [1,1,0,0,0,0|2,0,0]=4 3265 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [1,1,0,0,0,0|1,0,0]=3 3266 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [1,1,0,0,0,0|1,0,0]=3 3267 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [1,1,0,0,0,0|2,0,0]=4 3268 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [1,1,0,0,0,0|1,0,0]=3 3269 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [1,1,0,0,0,0|2,0,0]=4 3270 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [1,1,0,0,0,0|2,0,0]=4 3271 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [1,1,0,0,0,0|2,0,0]=4 3272 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [1,1,0,0,0,0|1,0,0]=3 3273 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [1,1,0,0,0,0|2,0,0]=4 3274 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [1,1,0,0,0,0|1,0,0]=3 3275 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [1,1,0,0,0,0|2,0,0]=4 3276 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [1,1,0,0,0,0|2,0,0]=4 3277 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [1,1,0,0,0,0|2,0,0]=4 3278 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [1,1,0,0,0,0|1,0,0]=3 3279 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [1,1,0,0,0,0|2,0,0]=4 3280 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [1,1,0,0,0,0|1,0,0]=3 3281 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [1,1,0,0,0,0|2,0,0]=4 3282 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [1,1,0,0,0,0|2,0,0]=4 3283 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [1,1,0,0,0,0|2,0,0]=4 3284 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [1,1,0,0,0,0|1,0,0]=3 3285 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [1,1,0,0,0,0|2,0,0]=4 3286 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [1,1,0,0,0,0|1,0,0]=3 3287 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [1,1,0,0,0,0|2,0,0]=4 3288 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [1,1,0,0,0,0|2,0,0]=4 3289 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [1,1,0,0,0,0|2,0,0]=4 3290 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [1,1,0,0,0,0|2,0,0]=4 3291 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [1,1,0,0,0,0|1,0,0]=3 3292 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [1,1,0,0,0,0|2,0,0]=4 3293 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [1,1,0,0,0,0|2,0,0]=4 3295 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [1,1,0,0,0,0|2,0,0]=4 3296 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [1,1,0,0,0,0|1,0,0]=3 3297 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [1,1,0,0,0,0|1,0,0]=3 3298 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [1,1,0,0,0,0|1,0,0]=3 3299 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [1,1,0,0,0,0|1,0,0]=3 3300 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [1,1,0,0,0,0|2,0,0]=4 3301 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [1,1,0,0,0,0|2,0,0]=4 3302 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [1,1,0,0,0,0|2,0,0]=4 3303 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [1,1,0,0,0,0|2,0,0]=4 3304 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [1,1,0,0,0,0|2,0,0]=4 3305 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [1,1,0,0,0,0|2,0,0]=4 3306 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [1,1,0,0,0,0|2,0,0]=4 3307 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [1,1,0,0,0,0|2,0,0]=4 3310 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [1,1,0,0,0,0|2,0,0]=4 3311 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [1,1,0,0,0,0|1,0,0]=3 3313 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 3317 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [1,1,0,0,0,0|1,0,0]=3 3318 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [1,1,0,0,0,0|1,0,0]=3 3319 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [1,1,0,0,0,0|1,0,0]=3 3320 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [1,1,0,0,0,0|1,0,0]=3 3321 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 3324 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 3325 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [1,1,0,0,0,0|2,0,0]=4 3326 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 3327 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 3328 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 3329 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [1,1,0,0,0,0|2,0,0]=4 3330 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 3331 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 3332 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 3333 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [1,1,0,0,0,0|1,0,0]=3 3334 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [1,1,0,0,0,0|1,0,0]=3 3335 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [1,1,0,0,0,0|2,0,0]=4 3336 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [1,1,0,0,0,0|2,0,0]=4 3337 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [1,1,0,0,0,0|2,0,0]=4 3338 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [1,1,0,0,0,0|2,0,0]=4 3339 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [1,1,0,0,0,0|1,0,0]=3 3340 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [1,1,0,0,0,0|1,0,0]=3 3341 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [1,1,0,0,0,0|1,0,0]=3 3342 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [1,1,0,0,0,0|1,0,0]=3 3343 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [1,1,0,0,0,0|2,0,0]=4 3344 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [1,1,0,0,0,0|2,0,0]=4 3345 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [1,1,0,0,0,0|2,0,0]=4 3346 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [1,1,0,0,0,0|2,0,0]=4 3347 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [1,1,0,0,0,0|2,0,0]=4 3348 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [1,1,0,0,0,0|2,0,0]=4 3349 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [1,1,0,0,0,0|2,0,0]=4 3350 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [1,1,0,0,0,0|2,0,0]=4 3351 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [1,1,0,0,0,0|2,0,0]=4 3352 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [1,1,0,0,0,0|2,0,0]=4 3353 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [1,1,0,0,0,0|2,0,0]=4 3354 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [1,1,0,0,0,0|2,0,0]=4 3355 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [1,1,0,0,0,0|1,0,0]=3 3356 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [1,1,0,0,0,0|1,0,0]=3 3357 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [1,1,0,0,0,0|2,0,0]=4 3358 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [1,1,0,0,0,0|2,0,0]=4 3359 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [1,1,0,0,0,0|2,0,0]=4 3361 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [1,1,0,0,0,0|1,0,0]=3 3362 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [1,1,0,0,0,0|1,0,0]=3 3363 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [1,1,0,0,0,0|1,0,0]=3 3364 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [1,1,0,0,0,0|1,0,0]=3 3365 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [1,1,0,0,0,0|2,0,0]=4 3370 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [1,1,0,0,0,0|2,0,0]=4 3371 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [1,1,0,0,0,0|2,0,0]=4 3372 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [1,1,0,0,0,0|2,0,0]=4 3373 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [1,1,0,0,0,0|2,0,0]=4 3374 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [1,1,0,0,0,0|2,0,0]=4 3375 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [1,1,0,0,0,0|2,0,0]=4 3376 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [1,1,0,0,0,0|2,0,0]=4 3377 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [1,1,0,0,0,0|1,0,0]=3 3378 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [1,1,0,0,0,0|1,0,0]=3 3379 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [1,1,0,0,0,0|2,0,0]=4 3380 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [1,1,0,0,0,0|2,0,0]=4 3381 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [1,1,0,0,0,0|2,0,0]=4 3382 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [1,1,0,0,0,0|2,0,0]=4 3383 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [1,1,0,0,0,0|1,0,0]=3 3384 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [1,1,0,0,0,0|1,0,0]=3 3385 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [1,1,0,0,0,0|1,0,0]=3 3386 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [1,1,0,0,0,0|1,0,0]=3 3387 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [1,1,0,0,0,0|2,0,0]=4 3388 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [1,1,0,0,0,0|2,0,0]=4 3389 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [1,1,0,0,0,0|2,0,0]=4 3390 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [1,1,0,0,0,0|2,0,0]=4 3391 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [1,1,0,0,0,0|2,0,0]=4 3392 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [1,1,0,0,0,0|2,0,0]=4 3393 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [1,1,0,0,0,0|2,0,0]=4 3394 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [1,1,0,0,0,0|2,0,0]=4 3395 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [1,1,0,0,0,0|2,0,0]=4 3396 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [1,1,0,0,0,0|2,0,0]=4 3397 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [1,1,0,0,0,0|2,0,0]=4 3398 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [1,1,0,0,0,0|2,0,0]=4 3399 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [1,1,0,0,0,0|1,0,0]=3 3400 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [1,1,0,0,0,0|1,0,0]=3 3401 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [1,1,0,0,0,0|2,0,0]=4 3402 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [1,1,0,0,0,0|2,0,0]=4 3403 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [1,1,0,0,0,0|1,0,0]=3 3404 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [1,1,0,0,0,0|2,0,0]=4 3405 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [1,1,0,0,0,0|2,0,0]=4 3406 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [1,1,0,0,0,0|2,0,0]=4 3407 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [1,1,0,0,0,0|2,0,0]=4 3408 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [1,1,0,0,0,0|2,0,0]=4 3409 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 3410 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 3411 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 3412 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [1,1,0,0,0,0|1,0,0]=3 3413 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [1,1,0,0,0,0|1,0,0]=3 3414 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [1,1,0,0,0,0|1,0,0]=3 3415 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [1,1,0,0,0,0|2,0,0]=4 3416 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [1,1,0,0,0,0|0,0,0]=2 3417 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [1,1,0,0,0,0|0,0,0]=2 3418 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [1,1,0,0,0,0|0,0,0]=2 3419 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [1,1,0,0,0,0|0,0,0]=2 3420 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [1,1,0,0,0,0|0,0,0]=2 3421 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [1,1,0,0,0,0|1,0,0]=3 3422 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [1,1,0,0,0,0|0,0,0]=2 3423 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [1,1,0,0,0,0|1,0,0]=3 3424 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [1,1,0,0,0,0|1,0,0]=3 3425 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [1,1,0,0,0,0|1,0,0]=3 3426 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [1,1,0,0,0,0|0,0,0]=2 3427 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [1,1,0,0,0,0|0,0,0]=2 3428 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [1,1,0,0,0,0|1,0,0]=3 3429 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [1,1,0,0,0,0|1,0,0]=3 3430 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [1,1,0,0,0,0|1,0,0]=3 3431 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [1,1,0,0,0,0|1,0,0]=3 3432 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [1,1,0,0,0,0|2,0,0]=4 3433 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [1,1,0,0,0,0|1,0,0]=3 3434 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [1,1,0,0,0,0|1,0,0]=3 3435 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [1,1,0,0,0,0|1,0,0]=3 3436 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [1,1,0,0,0,0|1,0,0]=3 3437 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [1,1,0,0,0,0|1,0,0]=3 3438 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [1,1,0,0,0,0|1,0,0]=3 3439 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [1,1,0,0,0,0|2,0,0]=4 3440 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [1,1,0,0,0,0|2,0,0]=4 3441 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [1,1,0,0,0,0|1,0,0]=3 3443 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [1,1,0,0,0,0|1,0,0]=3 3444 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [1,1,0,0,0,0|2,0,0]=4 3445 B12R1.367 COC(=O)c1cnc(c(n1)O)C 271570a_203496583355_200010778766 [1,1,0,0,0,0|2,0,0]=4 3446 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [1,1,0,0,0,0|1,0,1]=4 3447 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [1,1,0,0,0,0|2,0,0]=4 3454 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [1,1,0,0,0,0|2,0,0]=4 3455 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [1,1,0,0,0,0|2,0,0]=4 3456 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [1,1,0,0,0,0|2,0,0]=4 3457 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [1,1,0,0,0,0|2,0,0]=4 3458 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [1,1,0,0,0,0|2,0,0]=4 3459 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [1,1,0,0,0,0|2,0,0]=4 3460 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [1,1,0,0,0,0|2,0,0]=4 3461 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [1,1,0,0,0,0|2,0,0]=4 3462 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [1,1,0,0,0,0|2,0,0]=4 3463 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [1,1,0,0,0,0|1,0,0]=3 3464 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [1,1,0,0,0,0|2,0,0]=4 3465 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [1,1,0,0,0,0|2,0,0]=4 3466 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [1,1,0,0,0,0|2,0,0]=4 3467 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [1,1,0,0,0,0|1,0,0]=3 3468 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [1,1,0,0,0,0|2,0,0]=4 3469 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [1,1,0,0,0,0|1,0,0]=3 3470 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [1,1,0,0,0,0|2,0,0]=4 3471 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [1,1,0,0,0,0|2,0,0]=4 3472 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [1,1,0,0,0,0|2,0,0]=4 3473 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [1,1,0,0,0,0|1,0,0]=3 3474 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [1,1,0,0,0,0|1,0,0]=3 3475 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [1,1,0,0,0,0|2,0,0]=4 3476 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [1,1,0,0,0,0|1,0,0]=3 3477 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3478 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [1,1,0,0,0,0|2,0,0]=4 3479 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [1,1,0,0,0,0|2,0,0]=4 3480 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [1,1,0,0,0,0|1,0,0]=3 3481 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [1,1,0,0,0,0|2,0,0]=4 3482 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [1,1,0,0,0,0|1,0,0]=3 3483 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [1,1,0,0,0,0|2,0,0]=4 3484 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [1,1,0,0,0,0|2,0,0]=4 3485 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [1,1,0,0,0,0|2,0,0]=4 3486 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [1,1,0,0,0,0|1,0,0]=3 3487 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [1,1,0,0,0,0|1,0,0]=3 3488 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [1,1,0,0,0,0|2,0,0]=4 3489 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [1,1,0,0,0,0|1,0,0]=3 3490 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [1,1,0,0,0,0|2,0,0]=4 3491 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [1,1,0,0,0,0|2,0,0]=4 3492 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [1,1,0,0,0,0|2,0,0]=4 3493 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [1,1,0,0,0,0|1,0,0]=3 3494 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [1,1,0,0,0,0|1,0,0]=3 3495 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [1,1,0,0,0,0|2,0,0]=4 3496 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [1,1,0,0,0,0|2,0,0]=4 3497 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [1,1,0,0,0,0|2,0,0]=4 3498 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [1,1,0,0,0,0|1,0,0]=3 3499 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [1,1,0,0,0,0|2,0,0]=4 3500 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [1,1,0,0,0,0|2,0,0]=4 3501 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [1,1,0,0,0,0|2,0,0]=4 3502 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [1,1,0,0,0,0|2,0,0]=4 3503 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [1,1,0,0,0,0|1,0,0]=3 3504 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [1,1,0,0,0,0|1,0,0]=3 3505 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [1,1,0,0,0,0|1,0,0]=3 3506 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [1,1,0,0,0,0|1,0,0]=3 3507 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [1,1,0,0,0,0|2,0,0]=4 3508 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [1,1,0,0,0,0|2,0,0]=4 3509 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [1,1,0,0,0,0|2,0,0]=4 3510 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [1,1,0,0,0,0|2,0,0]=4 3511 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [1,1,0,0,0,0|2,0,0]=4 3512 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [1,1,0,0,0,0|2,0,0]=4 3513 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [1,1,0,0,0,0|2,0,0]=4 3514 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [1,1,0,0,0,0|2,0,0]=4 3515 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [1,1,0,0,0,0|2,0,0]=4 3516 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [1,1,0,0,0,0|2,0,0]=4 3517 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [1,1,0,0,0,0|2,0,0]=4 3518 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [1,1,0,0,0,0|2,0,0]=4 3519 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [1,1,0,0,0,0|1,0,0]=3 3520 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [1,1,0,0,0,0|1,0,0]=3 3521 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [1,1,0,0,0,0|2,0,0]=4 3522 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [1,1,0,0,0,0|2,0,0]=4 3523 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [1,1,0,0,0,0|2,0,0]=4 3524 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [1,1,0,0,0,0|2,0,0]=4 3525 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [1,1,0,0,0,0|1,0,0]=3 3526 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [1,1,0,0,0,0|1,0,0]=3 3527 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [1,1,0,0,0,0|1,0,0]=3 3528 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [1,1,0,0,0,0|1,0,0]=3 3529 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [1,1,0,0,0,0|2,0,0]=4 3530 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [1,1,0,0,0,0|2,0,0]=4 3531 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [1,1,0,0,0,0|2,0,0]=4 3532 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [1,1,0,0,0,0|2,0,0]=4 3533 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [1,1,0,0,0,0|2,0,0]=4 3534 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [1,1,0,0,0,0|2,0,0]=4 3535 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [1,1,0,0,0,0|2,0,0]=4 3536 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [1,1,0,0,0,0|2,0,0]=4 3537 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [1,1,0,0,0,0|2,0,0]=4 3538 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [1,1,0,0,0,0|2,0,0]=4 3539 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [1,1,0,0,0,0|2,0,0]=4 3540 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [1,1,0,0,0,0|2,0,0]=4 3541 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [1,1,0,0,0,0|1,0,0]=3 3542 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [1,1,0,0,0,0|1,0,0]=3 3543 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [1,1,0,0,0,0|2,0,0]=4 3544 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [1,1,0,0,0,0|2,0,0]=4 3545 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [1,1,0,0,0,0|2,0,0]=4 3546 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [1,1,0,0,0,0|2,0,0]=4 3547 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [1,1,0,0,0,0|1,0,0]=3 3548 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [1,1,0,0,0,0|1,0,0]=3 3549 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [1,1,0,0,0,0|1,0,0]=3 3550 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [1,1,0,0,0,0|1,0,0]=3 3551 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [1,1,0,0,0,0|2,0,0]=4 3552 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [1,1,0,0,0,0|2,0,0]=4 3553 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [1,1,0,0,0,0|2,0,0]=4 3554 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [1,1,0,0,0,0|2,0,0]=4 3555 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [1,1,0,0,0,0|2,0,0]=4 3556 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [1,1,0,0,0,0|2,0,0]=4 3557 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [1,1,0,0,0,0|2,0,0]=4 3558 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [1,1,0,0,0,0|2,0,0]=4 3559 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [1,1,0,0,0,0|2,0,0]=4 3560 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [1,1,0,0,0,0|2,0,0]=4 3561 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [1,1,0,0,0,0|2,0,0]=4 3562 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [1,1,0,0,0,0|2,0,0]=4 3563 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [1,1,0,0,0,0|1,0,0]=3 3564 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [1,1,0,0,0,0|1,0,0]=3 3565 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [1,1,0,0,0,0|2,0,0]=4 3566 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [1,1,0,0,0,0|2,0,0]=4 3567 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [1,1,0,0,0,0|2,0,0]=4 3568 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [1,1,0,0,0,0|2,0,0]=4 3569 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [1,1,0,0,0,0|1,0,0]=3 3570 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [1,1,0,0,0,0|1,0,0]=3 3571 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [1,1,0,0,0,0|1,0,0]=3 3572 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [1,1,0,0,0,0|1,0,0]=3 3573 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [1,1,0,0,0,0|2,0,0]=4 3574 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [1,1,0,0,0,0|2,0,0]=4 3575 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [1,1,0,0,0,0|2,0,0]=4 3576 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [1,1,0,0,0,0|2,0,0]=4 3577 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [1,1,0,0,0,0|2,0,0]=4 3578 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [1,1,0,0,0,0|2,0,0]=4 3579 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [1,1,0,0,0,0|2,0,0]=4 3580 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [1,1,0,0,0,0|2,0,0]=4 3581 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [1,1,0,0,0,0|2,0,0]=4 3582 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [1,1,0,0,0,0|2,0,0]=4 3583 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [1,1,0,0,0,0|2,0,0]=4 3584 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [1,1,0,0,0,0|2,0,0]=4 3585 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [1,1,0,0,0,0|1,0,0]=3 3586 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [1,1,0,0,0,0|1,0,0]=3 3587 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [1,1,0,0,0,0|1,0,0]=3 3588 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [1,1,0,0,0,0|2,0,0]=4 3589 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [1,1,0,0,0,0|2,0,0]=4 3590 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [1,1,0,0,0,0|2,0,0]=4 3591 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [1,1,0,0,0,0|2,0,0]=4 3592 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [1,1,0,0,0,0|1,0,0]=3 3593 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [1,1,0,0,0,0|1,0,0]=3 3594 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [1,1,0,0,0,0|1,0,0]=3 3595 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [1,1,0,0,0,0|1,0,0]=3 3596 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [1,1,0,0,0,0|2,0,0]=4 3597 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [1,1,0,0,0,0|2,0,0]=4 3598 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [1,1,0,0,0,0|2,0,0]=4 3599 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [1,1,0,0,0,0|2,0,0]=4 3600 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [1,1,0,0,0,0|2,0,0]=4 3601 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [1,1,0,0,0,0|2,0,0]=4 3602 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [1,1,0,0,0,0|2,0,0]=4 3603 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [1,1,0,0,0,0|2,0,0]=4 3604 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [1,1,0,0,0,0|2,0,0]=4 3605 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [1,1,0,0,0,0|2,0,0]=4 3606 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [1,1,0,0,0,0|1,0,0]=3 3607 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [1,1,0,0,0,0|1,0,0]=3 3608 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [1,1,0,0,0,0|1,0,0]=3 3609 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [1,1,0,0,0,0|2,0,0]=4 3610 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [1,1,0,0,0,0|2,0,0]=4 3611 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [1,1,0,0,0,0|2,0,0]=4 3612 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [1,1,0,0,0,0|2,0,0]=4 3613 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [1,1,0,0,0,0|2,0,0]=4 3614 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [1,1,0,0,0,0|2,0,0]=4 3615 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [1,1,0,0,0,0|2,0,0]=4 3616 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [1,1,0,0,0,0|2,0,0]=4 3617 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [1,1,0,0,0,0|1,0,0]=3 3618 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [1,1,0,0,0,0|0,0,0]=2 3619 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [1,1,0,0,0,0|0,0,0]=2 3620 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [1,1,0,0,0,0|0,0,0]=2 3621 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [1,1,0,0,0,0|0,0,0]=2 3622 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [1,1,0,0,0,0|0,0,0]=2 3623 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [1,1,0,0,0,0|1,0,0]=3 3624 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [1,1,0,0,0,0|0,0,0]=2 3625 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [1,1,0,0,0,0|1,0,0]=3 3626 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [1,1,0,0,0,0|1,0,0]=3 3627 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [1,1,0,0,0,0|1,0,0]=3 3628 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [1,1,0,0,0,0|0,0,0]=2 3629 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [1,1,0,0,0,0|0,0,0]=2 3630 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [1,1,0,0,0,0|1,0,0]=3 3631 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [1,1,0,0,0,0|1,0,0]=3 3632 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [1,1,0,0,0,0|1,0,0]=3 3633 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [1,1,0,0,0,0|1,0,0]=3 3634 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [1,1,0,0,0,0|2,0,0]=4 3635 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [1,1,0,0,0,0|1,0,0]=3 3636 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [1,1,0,0,0,0|1,0,0]=3 3637 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [1,1,0,0,0,0|1,0,0]=3 3638 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [1,1,0,0,0,0|1,0,0]=3 3639 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [1,1,0,0,0,0|1,0,0]=3 3640 B12R1.1703 COC(=O)c1cnc(nc1N)O 271570a_203496583355_200009866963 [1,1,0,0,0,0|2,0,0]=4 3641 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [1,1,0,0,0,0|1,0,0]=3 3642 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [1,1,0,0,0,0|1,0,0]=3 3643 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [1,1,0,0,0,0|1,0,0]=3 3644 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [1,1,0,0,0,0|1,0,0]=3 3645 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [1,1,0,0,0,0|2,0,0]=4 3646 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [1,1,0,0,0,0|1,0,0]=3 3647 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [1,1,0,0,0,0|2,0,0]=4 3648 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [1,1,0,0,0,0|1,0,1]=4 3649 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [1,1,0,0,0,0|1,0,1]=4 3650 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [1,1,0,0,0,0|2,0,0]=4 3651 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [1,1,0,0,0,0|2,0,0]=4 3652 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [1,1,0,0,0,0|2,0,0]=4 3653 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [1,1,0,0,0,0|1,0,1]=4 3654 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [1,1,0,0,0,0|1,0,1]=4 3655 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [1,1,0,0,0,0|2,0,0]=4 3656 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [1,1,0,0,0,0|2,0,0]=4 3657 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3658 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [1,1,0,0,0,0|2,0,0]=4 3659 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [1,1,0,0,0,0|2,0,0]=4 3660 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [1,1,0,0,0,0|2,0,0]=4 3661 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [1,1,0,0,0,0|1,0,1]=4 3665 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [1,1,0,0,0,0|1,0,1]=4 3666 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3667 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3668 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [1,1,0,0,0,0|2,0,0]=4 3669 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [1,1,0,0,0,0|2,0,0]=4 3670 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [1,1,0,0,0,0|1,0,1]=4 3671 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [1,1,0,0,0,0|2,0,0]=4 3672 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [1,1,0,0,0,0|2,0,0]=4 3673 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [1,1,0,0,0,0|1,0,0]=3 3674 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [1,1,0,0,0,0|1,0,1]=4 3675 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [1,1,0,0,0,0|1,0,1]=4 3676 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [1,1,0,0,0,0|1,0,1]=4 3677 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [1,1,0,0,0,0|1,0,1]=4 3678 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [1,1,0,0,0,0|1,0,1]=4 3679 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [1,1,0,0,0,0|1,0,1]=4 3680 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [1,1,0,0,0,0|1,0,1]=4 3681 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [1,1,0,0,0,0|1,0,1]=4 3682 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [1,1,0,0,0,0|1,0,1]=4 3683 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [1,1,0,0,0,0|1,0,1]=4 3684 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [1,1,0,0,0,0|1,0,1]=4 3685 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [1,1,0,0,0,0|1,0,1]=4 3686 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [1,1,0,0,0,0|2,0,0]=4 3687 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [1,1,0,0,0,0|2,0,0]=4 3688 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [1,1,0,0,0,0|2,0,0]=4 3689 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3690 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [1,1,0,0,0,0|2,0,0]=4 3691 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3692 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [1,1,0,0,0,0|2,0,0]=4 3693 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [1,1,0,0,0,0|2,0,0]=4 3694 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [1,1,0,0,0,0|2,0,0]=4 3695 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [1,1,0,0,0,0|2,0,0]=4 3696 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [1,1,0,0,0,0|2,0,0]=4 3697 B12R1.4 COc1ccc(cn1)C=C(C)C 271570a_100102525489_100000047065 [1,1,0,0,0,0|2,0,0]=4 3698 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [1,1,0,0,0,0|2,0,0]=4 3699 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [1,1,0,0,0,0|1,1,0]=4 3700 B12R1.71 C=Cc1ccc(cc1)C=COC 271570a_100011290941_100020630460 [1,1,0,0,0,0|1,0,1]=4 3701 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [1,1,0,0,0,0|2,0,0]=4 3702 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [1,1,0,0,0,0|1,0,1]=4 3703 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [1,1,0,0,0,0|1,0,1]=4 3704 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [1,1,0,0,0,0|1,0,1]=4 3705 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [1,1,0,0,0,0|1,0,1]=4 3706 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [1,1,0,0,0,0|1,0,1]=4 3707 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [1,1,0,0,0,0|1,0,1]=4 3708 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [1,1,0,0,0,0|1,0,1]=4 3709 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [1,1,0,0,0,0|1,0,1]=4 3710 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [1,1,0,0,0,0|1,0,1]=4 3711 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [1,1,0,0,0,0|1,0,1]=4 3712 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [1,1,0,0,0,0|1,0,1]=4 3713 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [1,1,0,0,0,0|1,0,1]=4 3714 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [1,1,0,0,0,0|1,0,1]=4 3715 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [1,1,0,0,0,0|1,0,1]=4 3716 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [1,1,0,0,0,0|1,0,1]=4 3717 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [1,1,0,0,0,0|1,0,1]=4 3718 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [1,1,0,0,0,0|1,0,1]=4 3719 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [1,1,0,0,0,0|1,0,1]=4 3720 B12R1.71 CCOCc1ccc(cc1)CC 34a_100000702245_100000210202 [1,1,0,0,0,0|1,0,1]=4 3721 B12R1.71 CCOCc1ccc(cc1)CC 34a_100121572206_100000747183 [1,1,0,0,0,0|1,0,1]=4 3722 B12R1.71 CCOCc1ccc(cc1)CC 7a_100000702245_100000210202 [1,1,0,0,0,0|1,0,1]=4 3723 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [1,1,0,0,0,0|0,0,1]=3 3724 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [1,1,0,0,0,0|0,0,1]=3 3725 B12R1.71 CCOCc1ccc(cc1)SC 34a_100011215404_100000210202 [1,1,0,0,0,0|0,1,1]=4 3726 B12R1.71 CCOCc1ccc(cc1)SC 34a_100121572206_100000181263 [1,1,0,0,0,0|0,1,1]=4 3727 B12R1.71 CCOCc1ccc(cc1)SC 62a_100000758564_200000210301 [1,1,0,0,0,0|0,1,1]=4 3728 B12R1.71 CCOCc1ccc(cc1)SC 62a_200000210301_100000758564 [1,1,0,0,0,0|0,1,1]=4 3729 B12R1.71 CCOCc1ccc(cc1)SC 7a_100011215404_100000210202 [1,1,0,0,0,0|0,1,1]=4 3730 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_100000758564_200025704644 [1,1,0,0,0,0|0,1,1]=4 3731 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758564 [1,1,0,0,0,0|0,1,1]=4 3732 B12R1.71 CCOCc1ccc(cn1)OC 34a_100011998694_100000210202 [1,1,0,0,0,0|1,0,1]=4 3733 B12R1.71 CCOCc1ccc(cn1)OC 34a_100121572206_200000757186 [1,1,0,0,0,0|1,0,1]=4 3734 B12R1.71 CCOCc1ccc(nc1)OC 34a_100000763316_100000210202 [1,1,0,0,0,0|1,0,1]=4 3735 B12R1.71 CCOCc1ccc(nc1)OC 34a_100121572206_100020631284 [1,1,0,0,0,0|1,0,1]=4 3736 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [1,1,0,0,0,0|0,1,1]=4 3737 B12R1.71 CCc1ccc(cc1)COCF 34a_100000702245_100015361967 [1,1,0,0,0,0|1,0,1]=4 3738 B12R1.71 CCc1ccc(cc1)COCF 7a_100000702245_100015361967 [1,1,0,0,0,0|1,0,1]=4 3739 B12R1.71 CCc1ccc(cc1)NCOC 2230a_100000211069_100000766300 [1,1,0,0,0,0|1,0,1]=4 3740 B12R1.71 CCc1ccc(cc1)SCOC 62a_100000766300_100011215824 [1,1,0,0,0,0|1,0,1]=4 3741 B12R1.71 CCc1ccc(cc1)SCOC 62a_100011215824_100000766300 [1,1,0,0,0,0|1,0,1]=4 3742 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [1,1,0,0,0,0|1,0,1]=4 3743 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [1,1,0,0,0,0|1,0,1]=4 3744 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [1,1,0,0,0,0|1,0,1]=4 3745 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [1,1,0,0,0,0|1,0,1]=4 3746 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [1,1,0,0,0,0|1,0,1]=4 3747 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [1,1,0,0,0,0|1,0,1]=4 3748 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [1,1,0,0,0,0|1,0,1]=4 3749 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [1,1,0,0,0,0|1,0,1]=4 3750 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000743151_100000766300 [1,1,0,0,0,0|1,0,1]=4 3751 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000766300_100000743151 [1,1,0,0,0,0|1,0,1]=4 3752 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [1,1,0,0,0,0|0,1,0]=3 3753 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [1,1,0,0,0,0|0,1,0]=3 3754 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [1,1,0,0,0,0|0,1,0]=3 3755 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [1,1,0,0,0,0|0,1,0]=3 3756 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [1,1,0,0,0,0|0,0,1]=3 3757 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [1,1,0,0,0,0|0,0,1]=3 3758 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [1,1,0,0,0,0|0,0,1]=3 3759 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [1,1,0,0,0,0|0,0,1]=3 3760 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [1,1,0,0,0,0|0,0,1]=3 3761 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [1,1,0,0,0,0|0,0,1]=3 3762 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [1,1,0,0,0,0|0,0,1]=3 3763 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [1,1,0,0,0,0|0,1,1]=4 3764 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [1,1,0,0,0,0|0,1,1]=4 3765 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [1,1,0,0,0,0|0,1,1]=4 3766 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [1,1,0,0,0,0|0,1,1]=4 3767 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [1,1,0,0,0,0|0,0,1]=3 3768 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [1,1,0,0,0,0|0,0,1]=3 3769 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [1,1,0,0,0,0|0,1,1]=4 3770 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [1,1,0,0,0,0|0,1,1]=4 3771 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [1,1,0,0,0,0|0,1,1]=4 3772 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [1,1,0,0,0,0|0,1,1]=4 3773 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [1,1,0,0,0,0|0,0,1]=3 3774 B12R1.71 COCSc1ccc(cc1)SC 62a_100000766300_100011263217 [1,1,0,0,0,0|0,1,1]=4 3775 B12R1.71 COCSc1ccc(cc1)SC 62a_100011263217_100000766300 [1,1,0,0,0,0|0,1,1]=4 3776 B12R1.71 COCSc1ccc(cn1)OC 62a_100000755202_100000766300 [1,1,0,0,0,0|1,0,1]=4 3777 B12R1.71 COCSc1ccc(cn1)OC 62a_100000766300_100000744180 [1,1,0,0,0,0|1,0,1]=4 3778 B12R1.71 COCSc1ccc(nc1)OC 62a_100000047065_100000766300 [1,1,0,0,0,0|1,0,1]=4 3779 B12R1.71 COCSc1ccc(nc1)OC 62a_100000766300_100000047065 [1,1,0,0,0,0|1,0,1]=4 3780 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [1,1,0,0,0,0|1,0,1]=4 3781 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [1,1,0,0,0,0|1,0,1]=4 3782 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [1,1,0,0,0,0|1,0,1]=4 3783 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [1,1,0,0,0,0|1,0,1]=4 3784 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [1,1,0,0,0,0|0,0,1]=3 3785 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [1,1,0,0,0,0|0,0,1]=3 3786 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [1,1,0,0,0,0|0,1,1]=4 3787 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [1,1,0,0,0,0|0,1,1]=4 3788 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [1,1,0,0,0,0|0,1,1]=4 3789 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [1,1,0,0,0,0|0,1,1]=4 3790 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [1,1,0,0,0,0|1,0,1]=4 3791 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [1,1,0,0,0,0|0,0,1]=3 3792 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [1,1,0,0,0,0|0,1,1]=4 3793 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [1,1,0,0,0,0|2,0,0]=4 3794 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [1,1,0,0,0,0|2,0,0]=4 3795 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [1,1,0,0,0,0|0,1,1]=4 3796 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [1,1,0,0,0,0|2,0,0]=4 3797 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [1,1,0,0,0,0|2,0,0]=4 3798 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [1,1,0,0,0,0|0,1,1]=4 3799 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [1,1,0,0,0,0|2,0,0]=4 3800 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [1,1,0,0,0,0|2,0,0]=4 3801 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [1,1,0,0,0,0|0,1,1]=4 3802 B12R1.71 COc1ccc(cn1)COCF 34a_100000763316_100015361967 [1,1,0,0,0,0|1,0,1]=4 3803 B12R1.71 COc1ccc(nc1)COCF 34a_100011998694_100015361967 [1,1,0,0,0,0|1,0,1]=4 3804 B12R1.71 CSc1ccc(cc1)COCF 34a_100011215404_100015361967 [1,1,0,0,0,0|0,1,1]=4 3805 B12R1.71 CSc1ccc(cc1)COCF 7a_100011215404_100015361967 [1,1,0,0,0,0|0,1,1]=4 3806 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [1,1,0,0,0,0|1,0,1]=4 3807 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [1,1,0,0,0,0|1,0,1]=4 3808 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [1,1,0,0,0,0|1,0,1]=4 3809 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [1,1,0,0,0,0|1,0,1]=4 3810 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [1,1,0,0,0,0|1,0,1]=4 3811 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [1,1,0,0,0,0|1,0,1]=4 3812 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [1,1,0,0,0,0|1,0,1]=4 3813 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [1,1,0,0,0,0|2,0,0]=4 3814 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [1,1,0,0,0,0|1,0,0]=3 3815 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [1,1,0,0,0,0|2,0,0]=4 3816 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [1,1,0,0,0,0|1,0,0]=3 3817 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [1,1,0,0,0,0|2,0,0]=4 3818 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [1,1,0,0,0,0|2,0,0]=4 3819 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [1,1,0,0,0,0|1,0,0]=3 3820 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [1,1,0,0,0,0|1,1,0]=4 3821 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [1,1,0,0,0,0|1,0,0]=3 3822 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [1,1,0,0,0,0|1,0,0]=3 3823 B12R1.114 CC=Cc1ccc(nc1C)OC 271570a_100016259895_100000766551 [1,1,0,0,0,0|2,0,0]=4 3824 B12R1.114 CC=Cc1ccc(nc1F)OC 271570a_100016259895_100010067559 [1,1,0,0,0,0|2,0,0]=4 3825 B12R1.114 CC=Cc1ccc(nc1N)OC 271570a_100016259895_100010187629 [1,1,0,0,0,0|2,0,0]=4 3826 B12R1.114 CC=Cc1cnc(cc1C)OC 271570a_100016259895_100011934368 [1,1,0,0,0,0|2,0,0]=4 3827 B12R1.114 CC=Cc1cnc(cc1F)OC 271570a_100016259895_100010136277 [1,1,0,0,0,0|2,0,0]=4 3828 B12R1.114 CC=Cc1cnc(cc1N)OC 271570a_100016259895_100010254562 [1,1,0,0,0,0|2,0,0]=4 3829 B12R1.114 CC=Cc1cnc(cc1O)OC 271570a_100016259895_100010738159 [1,1,0,0,0,0|2,0,0]=4 3830 B12R1.114 CC=Cc1ncc(cc1C)OC 271570a_100016259895_200009851512 [1,1,0,0,0,0|2,0,0]=4 3831 B12R1.114 CC=Cc1ncc(cc1N)OC 271570a_100016259895_100010074831 [1,1,0,0,0,0|2,0,0]=4 3832 B12R1.114 CCNc1ccc(cc1Br)OC 34a_100015195136_100000210202 [1,1,0,0,0,0|2,0,0]=4 3833 B12R1.114 CCNc1ccc(cc1C)OC 34a_100000750285_100000210202 [1,1,0,0,0,0|2,0,0]=4 3834 B12R1.114 CCNc1ccc(cc1Cl)OC 34a_100000747055_100000210202 [1,1,0,0,0,0|2,0,0]=4 3835 B12R1.114 CCNc1ccc(cc1F)OC 34a_100011299463_100000210202 [1,1,0,0,0,0|2,0,0]=4 3836 B12R1.114 CCNc1ccc(cc1I)OC 34a_100000049804_100000210202 [1,1,0,0,0,0|2,0,0]=4 3837 B12R1.114 CCNc1ccc(cc1O)OC 34a_100016989039_100000210202 [1,1,0,0,0,0|2,0,0]=4 3838 B12R1.114 CCOc1ccc(cc1Br)OC 34a_100000685887_100000210202 [1,1,0,0,0,0|2,0,0]=4 3839 B12R1.114 CCOc1ccc(cc1Br)OC 7a_100000685887_100000210202 [1,1,0,0,0,0|2,0,0]=4 3840 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.114 CCOc1ccc(cc1Cl)OC 34a_100000038596_100000210202 [1,1,0,0,0,0|2,0,0]=4 3843 B12R1.114 CCOc1ccc(cc1Cl)OC 7a_100000038596_100000210202 [1,1,0,0,0,0|2,0,0]=4 3844 B12R1.114 CCOc1ccc(cc1F)OC 34a_100000036999_100000210202 [1,1,0,0,0,0|2,0,0]=4 3845 B12R1.114 CCOc1ccc(cc1F)OC 34a_100012771078_200000210301 [1,1,0,0,0,0|2,0,0]=4 3846 B12R1.114 CCOc1ccc(cc1F)OC 7a_100000036999_100000210202 [1,1,0,0,0,0|2,0,0]=4 3847 B12R1.114 CCOc1ccc(cc1F)OC 7a_100012771078_200000210301 [1,1,0,0,0,0|2,0,0]=4 3848 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 34a_100012771078_200025704644 [1,1,0,0,0,0|2,0,0]=4 3849 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 7a_100012771078_200025704644 [1,1,0,0,0,0|2,0,0]=4 3850 B12R1.114 CCOc1ccc(cc1N)OC 34a_100000188146_100000210202 [1,1,0,0,0,0|2,0,0]=4 3851 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100000210202_100012349170 [1,1,0,0,0,0|2,0,0]=4 3852 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100012349170_100000210202 [1,1,0,0,0,0|2,0,0]=4 3853 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000210202_100000759875 [1,1,0,0,0,0|2,0,0]=4 3854 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000759875_100000210202 [1,1,0,0,0,0|2,0,0]=4 3855 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000210202_100000753793 [1,1,0,0,0,0|2,0,0]=4 3856 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000753793_100000210202 [1,1,0,0,0,0|2,0,0]=4 3857 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000210202_100000748021 [1,1,0,0,0,0|2,0,0]=4 3858 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000748021_100000210202 [1,1,0,0,0,0|2,0,0]=4 3859 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [1,1,0,0,0,0|2,0,0]=4 3860 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [1,1,0,0,0,0|1,0,1]=4 3861 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [1,1,0,0,0,0|1,0,1]=4 3862 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [1,1,0,0,0,0|1,0,1]=4 3863 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [1,1,0,0,0,0|1,0,1]=4 3864 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [1,1,0,0,0,0|1,0,1]=4 3865 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [1,1,0,0,0,0|1,0,1]=4 3866 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [1,1,0,0,0,0|1,0,1]=4 3867 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [1,1,0,0,0,0|1,0,1]=4 3868 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [1,1,0,0,0,0|1,0,1]=4 3869 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [1,1,0,0,0,0|1,0,1]=4 3870 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [1,1,0,0,0,0|1,0,1]=4 3871 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [1,1,0,0,0,0|1,0,1]=4 3872 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [1,1,0,0,0,0|1,0,1]=4 3873 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [1,1,0,0,0,0|1,0,1]=4 3874 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [1,1,0,0,0,0|1,0,1]=4 3875 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [1,1,0,0,0,0|1,0,1]=4 3876 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [1,1,0,0,0,0|1,0,1]=4 3877 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [1,1,0,0,0,0|1,0,1]=4 3878 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [1,1,0,0,0,0|1,0,1]=4 3879 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [1,1,0,0,0,0|1,0,1]=4 3880 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [1,1,0,0,0,0|1,0,1]=4 3881 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [1,1,0,0,0,0|1,0,1]=4 3882 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [1,1,0,0,0,0|1,0,1]=4 3883 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [1,1,0,0,0,0|1,0,1]=4 3884 B12R1.114 CNc1ccc(c(c1)F)COC 34a_100012145864_200000210301 [1,1,0,0,0,0|1,0,1]=4 3885 B12R1.114 CNc1ccc(c(c1)F)COC 7a_100012145864_200000210301 [1,1,0,0,0,0|1,0,1]=4 3886 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [1,1,0,0,0,0|0,0,1]=3 3887 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [1,1,0,0,0,0|0,0,1]=3 3888 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [1,1,0,0,0,0|0,0,1]=3 3889 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [1,1,0,0,0,0|0,0,1]=3 3890 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [1,1,0,0,0,0|0,0,1]=3 3891 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [1,1,0,0,0,0|0,0,1]=3 3892 B12R1.114 COCc1ccc(cc1F)N[13CH3] 34a_100012145864_200025704644 [1,1,0,0,0,0|1,0,1]=4 3893 B12R1.114 COCc1ccc(cc1F)N[13CH3] 7a_100012145864_200025704644 [1,1,0,0,0,0|1,0,1]=4 3894 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [1,1,0,0,0,0|0,0,1]=3 3895 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [1,1,0,0,0,0|0,0,1]=3 3896 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [1,1,0,0,0,0|0,0,1]=3 3897 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [1,1,0,0,0,0|0,0,1]=3 3898 B12R1.114 COCc1ccc(cc1N)SC 62a_100013084866_200000210301 [1,1,0,0,0,0|0,1,1]=4 3899 B12R1.114 COCc1ccc(cc1N)SC 62a_200000210301_100013084866 [1,1,0,0,0,0|0,1,1]=4 3900 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_100013084866_200025704644 [1,1,0,0,0,0|0,1,1]=4 3901 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_200025704644_100013084866 [1,1,0,0,0,0|0,1,1]=4 3902 B12R1.114 COCc1ccc(nc1Cl)OC 34a_100009885603_200000210301 [1,1,0,0,0,0|1,0,1]=4 3903 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [1,1,0,0,0,0|0,0,1]=3 3904 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [1,1,0,0,0,0|0,0,1]=3 3905 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [1,1,0,0,0,0|0,1,1]=4 3906 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [1,1,0,0,0,0|0,1,1]=4 3907 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [1,1,0,0,0,0|0,1,1]=4 3908 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [1,1,0,0,0,0|0,1,1]=4 3909 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [1,1,0,0,0,0|1,0,1]=4 3910 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [1,1,0,0,0,0|0,0,1]=3 3911 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [1,1,0,0,0,0|0,0,1]=3 3912 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [1,1,0,0,0,0|0,1,1]=4 3913 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [1,1,0,0,0,0|0,1,1]=4 3914 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [1,1,0,0,0,0|0,1,1]=4 3915 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [1,1,0,0,0,0|0,1,1]=4 3916 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [1,1,0,0,0,0|1,0,1]=4 3917 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [1,1,0,0,0,0|0,0,1]=3 3918 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [1,1,0,0,0,0|0,0,1]=3 3919 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [1,1,0,0,0,0|0,1,1]=4 3920 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [1,1,0,0,0,0|0,1,1]=4 3921 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [1,1,0,0,0,0|0,1,1]=4 3922 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [1,1,0,0,0,0|0,1,1]=4 3923 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [1,1,0,0,0,0|0,0,1]=3 3924 B12R1.114 COc1ccc(c(n1)Cl)CO[13CH3] 34a_100009885603_200025704644 [1,1,0,0,0,0|1,0,1]=4 3925 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [1,1,0,0,0,0|1,1,0]=4 3926 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [1,1,0,0,0,0|1,1,0]=4 3927 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [1,1,0,0,0,0|1,1,0]=4 3928 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [1,1,0,0,0,0|1,1,0]=4 3929 B12R1.116 C=C=Cc1ccc(cc1)COC 271570a_100015277604_100011493685 [1,1,0,0,0,0|1,0,1]=4 3930 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [1,1,0,0,0,0|1,0,1]=4 3931 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [1,1,0,0,0,0|2,0,0]=4 3932 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [1,1,0,0,0,0|2,0,0]=4 3933 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [1,1,0,0,0,0|2,0,0]=4 3934 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [1,1,0,0,0,0|2,0,0]=4 3935 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [1,1,0,0,0,0|2,0,0]=4 3936 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [1,1,0,0,0,0|1,0,0]=3 3937 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [1,1,0,0,0,0|2,0,0]=4 3938 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [1,1,0,0,0,0|1,0,0]=3 3939 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [1,1,0,0,0,0|1,1,0]=4 3940 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [1,1,0,0,0,0|2,0,0]=4 3941 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [1,1,0,0,0,0|2,0,0]=4 3942 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [1,1,0,0,0,0|1,0,1]=4 3943 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [1,1,0,0,0,0|1,0,1]=4 3944 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [1,1,0,0,0,0|1,0,1]=4 3945 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [1,1,0,0,0,0|1,0,1]=4 3946 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [1,1,0,0,0,0|1,0,1]=4 3947 B12R1.116 CCNc1ccc(cc1)COC 34a_100000694113_100000210202 [1,1,0,0,0,0|1,0,1]=4 3948 B12R1.116 CCNc1ccc(cc1)OCC 2230a_100000739623_100000210202 [1,1,0,0,0,0|2,0,0]=4 3949 B12R1.116 CCNc1ccc(cc1)OCC 34a_100000739623_100000210202 [1,1,0,0,0,0|2,0,0]=4 3950 B12R1.116 CCNc1ccc(cc1)OCC 34a_100011337800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3951 B12R1.116 CCNc1ccc(cc1)OCC 7a_100011337800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3952 B12R1.116 CCNc1ccc(cc1)OCF 34a_100011337800_100015361967 [1,1,0,0,0,0|2,0,0]=4 3953 B12R1.116 CCNc1ccc(cc1)OCF 7a_100011337800_100015361967 [1,1,0,0,0,0|2,0,0]=4 3954 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [1,1,0,0,0,0|1,0,1]=4 3955 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [1,1,0,0,0,0|1,0,1]=4 3956 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [1,1,0,0,0,0|1,0,1]=4 3957 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [1,1,0,0,0,0|1,0,1]=4 3958 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [1,1,0,0,0,0|1,0,1]=4 3959 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [1,1,0,0,0,0|1,0,1]=4 3960 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [1,1,0,0,0,0|1,0,1]=4 3961 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [1,1,0,0,0,0|0,0,1]=3 3962 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [1,1,0,0,0,0|0,0,1]=3 3963 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [1,1,0,0,0,0|0,0,1]=3 3964 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [1,1,0,0,0,0|0,0,1]=3 3965 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [1,1,0,0,0,0|0,0,1]=3 3966 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [1,1,0,0,0,0|0,0,1]=3 3967 B12R1.116 CCOc1ccc(cc1)OCC 34a_100000185467_100000210202 [1,1,0,0,0,0|2,0,0]=4 3968 B12R1.116 CCOc1ccc(cc1)OCF 34a_100000185467_100015361967 [1,1,0,0,0,0|2,0,0]=4 3969 B12R1.116 CCOc1ccc(cc1)SCC 62a_100000210202_100000171712 [1,1,0,0,0,0|2,0,0]=4 3970 B12R1.116 CCOc1ccc(nc1)COC 34a_200012645146_200000210301 [1,1,0,0,0,0|1,0,1]=4 3971 B12R1.116 CCOc1ccc(nc1)CO[13CH3] 34a_200012645146_200025704644 [1,1,0,0,0,0|1,0,1]=4 3972 B12R1.116 CCSc1ccc(cc1)COC 62a_100000210202_100011493685 [1,1,0,0,0,0|0,1,1]=4 3973 B12R1.116 CCSc1ccc(cc1)COC 62a_100011493685_100000210202 [1,1,0,0,0,0|0,1,1]=4 3974 B12R1.116 CNCc1ccc(cc1)COC 2230a_100000738208_200000210301 [1,1,0,0,0,0|1,0,1]=4 3975 B12R1.116 CNCc1ccc(cc1)COC 26a_100102657272_200011995677 [1,1,0,0,0,0|1,0,1]=4 3976 B12R1.116 CNCc1ccc(cc1)COC 34a_100000738208_200000210301 [1,1,0,0,0,0|1,0,1]=4 3977 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [1,1,0,0,0,0|1,0,1]=4 3978 B12R1.116 COCc1ccc(cc1)CN[13CH3] 2230a_100000738208_200025704644 [1,1,0,0,0,0|1,0,1]=4 3979 B12R1.116 COCc1ccc(cc1)CN[13CH3] 34a_100000738208_200025704644 [1,1,0,0,0,0|1,0,1]=4 3980 B12R1.116 COCc1ccc(cc1)NCF 34a_100000694113_100015361967 [1,1,0,0,0,0|1,0,1]=4 3981 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [1,1,0,0,0,0|0,0,1]=3 3982 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [1,1,0,0,0,0|0,0,1]=3 3983 B12R1.116 COCc1ccc(cc1)SCF 62a_100011493685_100015361967 [1,1,0,0,0,0|0,1,1]=4 3984 B12R1.116 COCc1ccc(cc1)SCF 62a_100015361967_100011493685 [1,1,0,0,0,0|0,1,1]=4 3985 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [1,1,0,0,0,0|1,0,1]=4 3986 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [1,1,0,0,0,0|1,0,1]=4 3987 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [1,1,0,0,0,0|1,0,1]=4 3988 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [1,1,0,0,0,0|1,0,1]=4 3989 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [1,1,0,0,0,0|1,0,1]=4 3990 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [1,1,0,0,0,0|1,0,1]=4 3991 B12R1.288 CC=Cc1cc(c(cn1)OC)N 271570a_100016259895_100010896307 [1,1,0,0,0,0|2,0,0]=4 3992 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [1,1,0,0,0,0|2,0,0]=4 3993 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [1,1,0,0,0,0|1,0,0]=3 3994 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [1,1,0,0,0,0|2,0,0]=4 3995 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,1,0,0,0,0|1,0,0]=3 3996 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [1,1,0,0,0,0|1,0,0]=3 3997 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [1,1,0,0,0,0|1,1,0]=4 3998 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [1,1,0,0,0,0|2,0,0]=4 3999 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [1,1,0,0,0,0|2,0,0]=4 4000 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [1,1,0,0,0,0|1,0,0]=3 4001 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [1,1,0,0,0,0|1,1,0]=4 4002 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [1,1,0,0,0,0|2,0,0]=4 4003 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [1,1,0,0,0,0|2,0,0]=4 4004 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [1,1,0,0,0,0|1,0,0]=3 4005 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,1,0,0,0,0|1,0,0]=3 4006 B12R1.288 CC=Cc1ccc(c(n1)Br)OC 271570a_100016259895_100010214827 [1,1,0,0,0,0|2,0,0]=4 4007 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [1,1,0,0,0,0|2,0,0]=4 4008 B12R1.288 CC=Cc1ccc(c(n1)Cl)OC 271570a_100016259895_100010233546 [1,1,0,0,0,0|2,0,0]=4 4009 B12R1.288 CC=Cc1ccc(c(n1)F)OC 271570a_100016259895_100010138636 [1,1,0,0,0,0|2,0,0]=4 4010 B12R1.288 CC=Cc1ccc(c(n1)N)OC 271570a_100016259895_100010192976 [1,1,0,0,0,0|2,0,0]=4 4011 B12R1.288 CC=Cc1cnc(c(c1)Br)OC 271570a_100016259895_200010988584 [1,1,0,0,0,0|2,0,0]=4 4012 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [1,1,0,0,0,0|2,0,0]=4 4013 B12R1.288 CC=Cc1cnc(c(c1)F)OC 271570a_100016259895_100011880707 [1,1,0,0,0,0|2,0,0]=4 4014 B12R1.288 CC=Cc1cnc(c(c1)N)OC 271570a_100016259895_100000748608 [1,1,0,0,0,0|2,0,0]=4 4015 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [1,1,0,0,0,0|2,0,0]=4 4016 B12R1.288 CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210202 [1,1,0,0,0,0|2,0,0]=4 4017 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [1,1,0,0,0,0|2,0,0]=4 4018 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [1,1,0,0,0,0|2,0,0]=4 4019 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [1,1,0,0,0,0|2,0,0]=4 4020 B12R1.288 CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210202 [1,1,0,0,0,0|2,0,0]=4 4021 B12R1.288 CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210202 [1,1,0,0,0,0|2,0,0]=4 4022 B12R1.288 CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210202 [1,1,0,0,0,0|2,0,0]=4 4023 B12R1.288 CCNc1ccc(c(c1)F)OC 34a_100000740183_100000210202 [1,1,0,0,0,0|2,0,0]=4 4024 B12R1.288 CCNc1ccc(c(c1)I)OC 34a_100011356947_100000210202 [1,1,0,0,0,0|2,0,0]=4 4025 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [1,1,0,0,0,0|2,0,0]=4 4026 B12R1.288 CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210202 [1,1,0,0,0,0|2,0,0]=4 4027 B12R1.288 CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210202 [1,1,0,0,0,0|2,0,0]=4 4028 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [1,1,0,0,0,0|2,0,0]=4 4029 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [1,1,0,0,0,0|2,0,0]=4 4030 B12R1.288 CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210202 [1,1,0,0,0,0|2,0,0]=4 4031 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210202 [1,1,0,0,0,0|2,0,0]=4 4032 B12R1.288 CCOc1ccc(c(c1)F)OC 34a_100000746305_100000210202 [1,1,0,0,0,0|2,0,0]=4 4033 B12R1.288 CCOc1ccc(c(c1)F)OC 7a_100000746305_100000210202 [1,1,0,0,0,0|2,0,0]=4 4034 B12R1.288 CCOc1ccc(c(c1)I)OC 34a_100010084122_100000210202 [1,1,0,0,0,0|2,0,0]=4 4035 B12R1.288 CCOc1ccc(c(c1)I)OC 7a_100010084122_100000210202 [1,1,0,0,0,0|2,0,0]=4 4036 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100000210202_100011249507 [1,1,0,0,0,0|2,0,0]=4 4037 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210202 [1,1,0,0,0,0|2,0,0]=4 4038 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [1,1,0,0,0,0|2,0,0]=4 4039 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [1,1,0,0,0,0|2,0,0]=4 4040 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100000210202_100012355395 [1,1,0,0,0,0|2,0,0]=4 4041 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210202 [1,1,0,0,0,0|2,0,0]=4 4042 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210202 [1,1,0,0,0,0|2,0,0]=4 4043 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000210202_100000171752 [1,1,0,0,0,0|2,0,0]=4 4044 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100000210202_100011249504 [1,1,0,0,0,0|2,0,0]=4 4045 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210202 [1,1,0,0,0,0|2,0,0]=4 4046 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [1,1,0,0,0,0|2,0,0]=4 4047 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [1,1,0,0,0,0|1,0,1]=4 4048 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [1,1,0,0,0,0|1,0,1]=4 4049 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [1,1,0,0,0,0|1,0,1]=4 4050 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [1,1,0,0,0,0|1,0,1]=4 4051 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [1,1,0,0,0,0|1,0,1]=4 4052 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [1,1,0,0,0,0|1,0,1]=4 4053 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [1,1,0,0,0,0|1,0,1]=4 4054 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [1,1,0,0,0,0|1,0,1]=4 4055 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 4056 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 4057 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [1,1,0,0,0,0|1,0,1]=4 4058 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [1,1,0,0,0,0|1,0,1]=4 4059 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 4060 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 4061 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [1,1,0,0,0,0|1,0,1]=4 4062 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [1,1,0,0,0,0|1,0,1]=4 4063 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [1,1,0,0,0,0|1,0,1]=4 4064 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [1,1,0,0,0,0|1,0,1]=4 4065 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [1,1,0,0,0,0|1,0,1]=4 4066 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [1,1,0,0,0,0|1,0,1]=4 4067 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [1,1,0,0,0,0|1,0,1]=4 4068 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [1,1,0,0,0,0|1,0,1]=4 4069 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [1,1,0,0,0,0|1,0,1]=4 4070 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [1,1,0,0,0,0|1,0,1]=4 4071 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [1,1,0,0,0,0|1,0,1]=4 4072 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [1,1,0,0,0,0|1,0,1]=4 4073 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [1,1,0,0,0,0|1,0,1]=4 4074 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [1,1,0,0,0,0|1,0,1]=4 4075 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [1,1,0,0,0,0|1,0,1]=4 4076 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [1,1,0,0,0,0|1,0,1]=4 4077 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [1,1,0,0,0,0|1,0,1]=4 4078 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,1]=4 4079 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [1,1,0,0,0,0|0,0,1]=3 4080 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [1,1,0,0,0,0|0,0,1]=3 4081 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [1,1,0,0,0,0|0,0,1]=3 4082 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [1,1,0,0,0,0|0,0,1]=3 4083 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [1,1,0,0,0,0|0,0,1]=3 4084 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [1,1,0,0,0,0|0,0,1]=3 4085 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [1,1,0,0,0,0|0,0,1]=3 4086 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [1,1,0,0,0,0|0,0,1]=3 4087 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [1,1,0,0,0,0|0,0,1]=3 4088 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [1,1,0,0,0,0|0,0,1]=3 4089 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [1,1,0,0,0,0|0,0,1]=3 4090 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [1,1,0,0,0,0|0,0,1]=3 4091 B12R1.288 COCc1ccc(c(c1)F)SC 62a_100010177442_200000210301 [1,1,0,0,0,0|0,1,1]=4 4092 B12R1.288 COCc1ccc(c(c1)F)SC 62a_200000210301_100010177442 [1,1,0,0,0,0|0,1,1]=4 4093 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_100010177442_200025704644 [1,1,0,0,0,0|0,1,1]=4 4094 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010177442 [1,1,0,0,0,0|0,1,1]=4 4095 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [1,1,0,0,0,0|0,0,1]=3 4096 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [1,1,0,0,0,0|0,0,1]=3 4097 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [1,1,0,0,0,0|0,0,1]=3 4098 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200000210301_200013033220 [1,1,0,0,0,0|0,1,1]=4 4099 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200013033220_200000210301 [1,1,0,0,0,0|0,1,1]=4 4100 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200013033220_200025704644 [1,1,0,0,0,0|0,1,1]=4 4101 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200025704644_200013033220 [1,1,0,0,0,0|0,1,1]=4 4102 B12R1.288 COCc1ccc(c(n1)Br)OC 34a_100010205416_200000210301 [1,1,0,0,0,0|1,0,1]=4 4103 B12R1.288 COCc1ccc(c(n1)Br)OC 7a_100010205416_200000210301 [1,1,0,0,0,0|1,0,1]=4 4104 B12R1.288 COCc1ccc(c(n1)Cl)OC 34a_100009842956_200000210301 [1,1,0,0,0,0|1,0,1]=4 4105 B12R1.288 COCc1ccc(c(n1)Cl)OC 7a_100009842956_200000210301 [1,1,0,0,0,0|1,0,1]=4 4106 B12R1.288 COCc1cnc(c(c1)Cl)OC 34a_200011438738_200000210301 [1,1,0,0,0,0|1,0,1]=4 4107 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [1,1,0,0,0,0|1,0,1]=4 4108 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [1,1,0,0,0,0|0,0,1]=3 4109 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [1,1,0,0,0,0|0,0,1]=3 4110 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [1,1,0,0,0,0|0,1,1]=4 4111 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [1,1,0,0,0,0|0,1,1]=4 4112 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [1,1,0,0,0,0|0,1,1]=4 4113 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [1,1,0,0,0,0|0,1,1]=4 4114 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 4115 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 4116 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [1,1,0,0,0,0|0,0,1]=3 4117 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [1,1,0,0,0,0|0,0,1]=3 4118 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [1,1,0,0,0,0|0,1,1]=4 4119 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [1,1,0,0,0,0|0,1,1]=4 4120 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [1,1,0,0,0,0|0,1,1]=4 4121 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [1,1,0,0,0,0|0,1,1]=4 4122 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [1,1,0,0,0,0|1,0,1]=4 4123 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [1,1,0,0,0,0|1,0,1]=4 4124 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [1,1,0,0,0,0|0,0,1]=3 4125 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [1,1,0,0,0,0|0,0,1]=3 4126 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [1,1,0,0,0,0|0,1,1]=4 4127 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [1,1,0,0,0,0|0,1,1]=4 4128 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [1,1,0,0,0,0|0,1,1]=4 4129 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [1,1,0,0,0,0|0,1,1]=4 4130 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [1,1,0,0,0,0|1,0,1]=4 4131 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [1,1,0,0,0,0|1,0,1]=4 4132 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [1,1,0,0,0,0|0,0,1]=3 4133 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [1,1,0,0,0,0|0,0,1]=3 4134 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [1,1,0,0,0,0|0,1,1]=4 4135 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [1,1,0,0,0,0|0,1,1]=4 4136 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [1,1,0,0,0,0|0,1,1]=4 4137 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [1,1,0,0,0,0|0,1,1]=4 4138 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [1,1,0,0,0,0|0,0,1]=3 4139 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [1,1,0,0,0,0|0,0,1]=3 4140 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [1,1,0,0,0,0|0,0,1]=3 4141 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,1]=4 4142 B12R1.288 COc1ccc(nc1Br)CO[13CH3] 34a_100010205416_200025704644 [1,1,0,0,0,0|1,0,1]=4 4143 B12R1.288 COc1ccc(nc1Br)CO[13CH3] 7a_100010205416_200025704644 [1,1,0,0,0,0|1,0,1]=4 4144 B12R1.288 COc1ccc(nc1Cl)CO[13CH3] 34a_100009842956_200025704644 [1,1,0,0,0,0|1,0,1]=4 4145 B12R1.288 COc1ccc(nc1Cl)CO[13CH3] 7a_100009842956_200025704644 [1,1,0,0,0,0|1,0,1]=4 4146 B12R1.288 COc1ncc(cc1Cl)CO[13CH3] 34a_200011438738_200025704644 [1,1,0,0,0,0|1,0,1]=4 4147 B12R1.63 COC(=O)c1cc(c([nH]1)C)SC 62a_200000210301_100010501536 [0,1,0,0,1,0|1,1,0]=4 4148 B12R1.63 COC(=O)c1cc(c([nH]1)C)S[13CH3] 62a_200025704644_100010501536 [0,1,0,0,1,0|1,1,0]=4 4149 B12R1.63 COC(=O)c1cc(c(s1)OC)O 271570a_203496583355_100134754287 [0,1,0,0,1,0|1,0,0]=3 4150 B12R1.63 COC(=O)c1cc(c(s1)SC)C 62a_100011219469_200000210301 [0,1,0,0,1,0|1,1,0]=4 4151 B12R1.63 COC(=O)c1cc(c(s1)SC)C 62a_200000210301_100011219469 [0,1,0,0,1,0|1,1,0]=4 4152 B12R1.63 COC(=O)c1cc(c(s1)SC)N 62a_200000210301_200010749435 [0,1,0,0,1,0|1,1,0]=4 4153 B12R1.63 COC(=O)c1cc(c(s1)SC)N 62a_200010749435_200000210301 [0,1,0,0,1,0|1,1,0]=4 4154 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])C 62a_100011219469_200025704644 [0,1,0,0,1,0|1,1,0]=4 4155 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])C 62a_200025704644_100011219469 [0,1,0,0,1,0|1,1,0]=4 4156 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])N 62a_200010749435_200025704644 [0,1,0,0,1,0|1,1,0]=4 4157 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])N 62a_200025704644_200010749435 [0,1,0,0,1,0|1,1,0]=4 4158 B12R1.179 CC=Cc1cc(c[nH]1)C(=O)OC 271570a_100016259895_100009840242 [0,1,0,0,1,0|2,0,0]=4 4159 B12R1.179 CC=Cc1cc(cs1)C(=O)OC 271570a_100016259895_100000692058 [0,1,0,0,1,0|2,0,0]=4 4160 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC 271570a_100016259895_100000687774 [0,1,0,0,1,0|2,0,0]=4 4161 B12R1.179 CC=Cc1ccc(o1)C(=O)OC 271570a_100016259895_100000148852 [0,1,0,0,1,0|2,0,0]=4 4162 B12R1.179 CC=Cc1ccc(s1)C(=O)OC 271570a_100016259895_100000148107 [0,1,0,0,1,0|2,0,0]=4 4163 B12R1.179 CC=Cc1coc(c1)C(=O)OC 271570a_100016259895_100009992624 [0,1,0,0,1,0|2,0,0]=4 4164 B12R1.179 CC=Cc1csc(c1)C(=O)OC 271570a_100016259895_100009815473 [0,1,0,0,1,0|2,0,0]=4 4165 B12R1.179 CCSc1c[nH]c(c1)C(=O)OC 62a_100000210202_100000205823 [0,1,0,0,1,0|1,1,0]=4 4166 B12R1.179 CCSc1cc(c[nH]1)C(=O)OC 62a_100000210202_100009840242 [0,1,0,0,1,0|1,1,0]=4 4167 B12R1.179 CCSc1cc(c[nH]1)C(=O)OC 62a_100009840242_100000210202 [0,1,0,0,1,0|1,1,0]=4 4168 B12R1.179 CCSc1cc(cs1)C(=O)OC 62a_100000210202_100000692058 [0,1,0,0,1,0|1,1,0]=4 4169 B12R1.179 CCSc1cc(cs1)C(=O)OC 62a_100000692058_100000210202 [0,1,0,0,1,0|1,1,0]=4 4170 B12R1.179 CCSc1ccc([nH]1)C(=O)OC 62a_100000210202_100000687774 [0,1,0,0,1,0|1,1,0]=4 4171 B12R1.179 CCSc1ccc(o1)C(=O)OC 62a_100000210202_100000148852 [0,1,0,0,1,0|1,1,0]=4 4172 B12R1.179 CCSc1ccc(s1)C(=O)OC 62a_100000148107_100000210202 [0,1,0,0,1,0|1,1,0]=4 4173 B12R1.179 CCSc1ccc(s1)C(=O)OC 62a_100000210202_100000148107 [0,1,0,0,1,0|1,1,0]=4 4174 B12R1.179 CCSc1coc(c1)C(=O)OC 62a_100000210202_100009992624 [0,1,0,0,1,0|1,1,0]=4 4175 B12R1.179 CCSc1csc(c1)C(=O)OC 62a_100000210202_100009815473 [0,1,0,0,1,0|1,1,0]=4 4176 B12R1.179 CCSc1csc(c1)C(=O)OC 62a_100009815473_100000210202 [0,1,0,0,1,0|1,1,0]=4 4177 B12R1.179 CNC(=O)c1ccc(o1)COC 34a_100000118023_200000210301 [0,1,0,0,1,0|2,0,0]=4 4178 B12R1.179 CNC(=O)c1ccc(o1)COC 34a_100138415774_100000118017 [0,1,0,0,1,0|2,0,0]=4 4179 B12R1.179 CNC(=O)c1ccc(o1)COC 7a_100000118023_200000210301 [0,1,0,0,1,0|2,0,0]=4 4180 B12R1.179 CNC(=O)c1ccc(o1)CO[13CH3] 34a_100000118023_200025704644 [0,1,0,0,1,0|2,0,0]=4 4181 B12R1.179 CNC(=O)c1ccc(o1)CO[13CH3] 7a_100000118023_200025704644 [0,1,0,0,1,0|2,0,0]=4 4182 B12R1.179 CNCc1c[nH]c(c1)C(=O)OC 270004a_106832991635_100000079124 [0,1,0,0,1,0|2,0,0]=4 4183 B12R1.179 CNCc1cc(co1)C(=O)OC 270004a_106832991635_200000756054 [0,1,0,0,1,0|2,0,0]=4 4184 B12R1.179 CNCc1cc(cs1)C(=O)OC 270004a_106832991635_100000061919 [0,1,0,0,1,0|2,0,0]=4 4185 B12R1.179 CNCc1ccc([nH]1)C(=O)OC 270004a_106832991635_100000094942 [0,1,0,0,1,0|2,0,0]=4 4186 B12R1.179 CNCc1ccc(o1)C(=O)OC 2230a_106832991635_100000010372 [0,1,0,0,1,0|2,0,0]=4 4187 B12R1.179 CNCc1ccc(o1)C(=O)OC 34a_100102657272_100000010372 [0,1,0,0,1,0|2,0,0]=4 4188 B12R1.179 CNCc1ccc(o1)C(=O)OC 7a_106832991635_100000010372 [0,1,0,0,1,0|2,0,0]=4 4189 B12R1.179 CNCc1ccc(s1)C(=O)OC 2230a_106832991635_100000752602 [0,1,0,0,1,0|2,0,0]=4 4190 B12R1.179 CNCc1ccc(s1)C(=O)OC 270004a_106832991635_100000078589 [0,1,0,0,1,0|2,0,0]=4 4191 B12R1.179 CNCc1ccc(s1)C(=O)OC 34a_100102657272_100000752602 [0,1,0,0,1,0|2,0,0]=4 4192 B12R1.179 CNCc1ccc(s1)C(=O)OC 7a_106832991635_100000752602 [0,1,0,0,1,0|2,0,0]=4 4193 B12R1.179 COC(=O)c1c[nH]c(c1)SCF 62a_100009840242_100015361967 [0,1,0,0,1,0|1,1,0]=4 4194 B12R1.179 COC(=O)c1c[nH]c(c1)SCF 62a_100015361967_100009840242 [0,1,0,0,1,0|1,1,0]=4 4195 B12R1.179 COC(=O)c1cc(c[nH]1)SCF 62a_100015361967_100000205823 [0,1,0,0,1,0|1,1,0]=4 4196 B12R1.179 COC(=O)c1cc(co1)SCF 62a_100015361967_100009992624 [0,1,0,0,1,0|1,1,0]=4 4197 B12R1.179 COC(=O)c1cc(cs1)SCF 62a_100009815473_100015361967 [0,1,0,0,1,0|1,1,0]=4 4198 B12R1.179 COC(=O)c1cc(cs1)SCF 62a_100015361967_100009815473 [0,1,0,0,1,0|1,1,0]=4 4199 B12R1.179 COC(=O)c1ccc([nH]1)SCF 62a_100015361967_100000687774 [0,1,0,0,1,0|1,1,0]=4 4200 B12R1.179 COC(=O)c1ccc(o1)CO[13CH3] 34a_100000246396_200025704644 [0,1,0,0,1,0|1,0,0]=3 4201 B12R1.179 COC(=O)c1ccc(o1)CO[13CH3] 7a_100000246396_200025704644 [0,1,0,0,1,0|1,0,0]=3 4202 B12R1.179 COC(=O)c1ccc(o1)CSC 62a_200000210301_100000010372 [0,1,0,0,1,0|1,1,0]=4 4203 B12R1.179 COC(=O)c1ccc(o1)CS[13CH3] 62a_200025704644_100000010372 [0,1,0,0,1,0|1,1,0]=4 4204 B12R1.179 COC(=O)c1ccc(o1)SCF 62a_100015361967_100000148852 [0,1,0,0,1,0|1,1,0]=4 4205 B12R1.179 COC(=O)c1ccc(s1)CSC 62a_100000752602_200000210301 [0,1,0,0,1,0|1,1,0]=4 4206 B12R1.179 COC(=O)c1ccc(s1)CSC 62a_200000210301_100000752602 [0,1,0,0,1,0|1,1,0]=4 4207 B12R1.179 COC(=O)c1ccc(s1)CS[13CH3] 62a_100000752602_200025704644 [0,1,0,0,1,0|1,1,0]=4 4208 B12R1.179 COC(=O)c1ccc(s1)CS[13CH3] 62a_200025704644_100000752602 [0,1,0,0,1,0|1,1,0]=4 4209 B12R1.179 COC(=O)c1ccc(s1)SCF 62a_100000148107_100015361967 [0,1,0,0,1,0|1,1,0]=4 4210 B12R1.179 COC(=O)c1ccc(s1)SCF 62a_100015361967_100000148107 [0,1,0,0,1,0|1,1,0]=4 4211 B12R1.179 COC(=O)c1csc(c1)SCF 62a_100000692058_100015361967 [0,1,0,0,1,0|1,1,0]=4 4212 B12R1.179 COC(=O)c1csc(c1)SCF 62a_100015361967_100000692058 [0,1,0,0,1,0|1,1,0]=4 4213 B12R1.179 COCc1ccc(o1)C(=O)OC 34a_100000246396_200000210301 [0,1,0,0,1,0|1,0,0]=3 4214 B12R1.179 COCc1ccc(o1)C(=O)OC 34a_100138415774_100000010372 [0,1,0,0,1,0|1,0,0]=3 4215 B12R1.179 COCc1ccc(o1)C(=O)OC 7a_100000246396_200000210301 [0,1,0,0,1,0|1,0,0]=3 4216 B12R1.179 COCc1ccc(s1)C(=O)OC 34a_100138415774_100000752602 [0,1,0,0,1,0|1,0,0]=3 4217 B12R1.179 COCc1nc(co1)C(=O)OC 34a_100138415774_100000068285 [0,1,0,0,1,0|2,0,0]=4 4218 B12R1.179 COCc1nc(cs1)C(=O)OC 34a_100138415774_100000089538 [0,1,0,0,1,0|2,0,0]=4 4219 B12R1.179 COCc1ncc(s1)C(=O)OC 34a_100138415774_200010288744 [0,1,0,0,1,0|2,0,0]=4 4220 B12R1.312 CCOC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000704357 [0,1,0,0,1,0|1,1,0]=4 4221 B12R1.312 CCOC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000704357 [0,1,0,0,1,0|1,1,0]=4 4222 B12R1.312 CCOC(=O)c1cc(cs1)SC 62a_200000210301_100009815474 [0,1,0,0,1,0|1,1,0]=4 4223 B12R1.312 CCOC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815474 [0,1,0,0,1,0|1,1,0]=4 4224 B12R1.312 CCOC(=O)c1ccc([nH]1)SC 62a_200000210301_200000687776 [0,1,0,0,1,0|1,1,0]=4 4225 B12R1.312 CCOC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_200000687776 [0,1,0,0,1,0|1,1,0]=4 4226 B12R1.312 CCOC(=O)c1ccc(o1)SC 62a_200000210301_200000170220 [0,1,0,0,1,0|1,1,0]=4 4227 B12R1.312 CCOC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_200000170220 [0,1,0,0,1,0|1,1,0]=4 4228 B12R1.312 CCOC(=O)c1ccc(s1)SC 62a_200000210301_100000172375 [0,1,0,0,1,0|1,1,0]=4 4229 B12R1.312 CCOC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000172375 [0,1,0,0,1,0|1,1,0]=4 4230 B12R1.312 CCOC(=O)c1csc(c1)SC 62a_200000210301_100011228516 [0,1,0,0,1,0|1,1,0]=4 4231 B12R1.312 CCOC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100011228516 [0,1,0,0,1,0|1,1,0]=4 4232 B12R1.359 C=C(C)c1cc(c[nH]1)C(=O)OC 271570a_100000694244_100009840242 [0,1,0,0,1,0|2,0,0]=4 4233 B12R1.359 C=C(C)c1cc(cs1)C(=O)OC 271570a_100000694244_100000692058 [0,1,0,0,1,0|2,0,0]=4 4234 B12R1.359 C=C(C)c1ccc([nH]1)C(=O)OC 271570a_100000694244_100000687774 [0,1,0,0,1,0|2,0,0]=4 4235 B12R1.359 C=C(C)c1ccc(o1)C(=O)OC 271570a_100000694244_100000148852 [0,1,0,0,1,0|2,0,0]=4 4236 B12R1.359 C=C(C)c1ccc(s1)C(=O)OC 271570a_100000694244_100000148107 [0,1,0,0,1,0|2,0,0]=4 4237 B12R1.359 C=C(C)c1coc(c1)C(=O)OC 271570a_100000694244_100009992624 [0,1,0,0,1,0|2,0,0]=4 4238 B12R1.359 C=C(C)c1csc(c1)C(=O)OC 271570a_100000694244_100009815473 [0,1,0,0,1,0|2,0,0]=4 4239 B12R1.608 COC(=O)c1cc(cn1C)SC 62a_100000240937_200000210301 [0,1,0,0,1,0|1,1,0]=4 4240 B12R1.608 COC(=O)c1cc(cn1C)SC 62a_200000210301_100000240937 [0,1,0,0,1,0|1,1,0]=4 4241 B12R1.608 COC(=O)c1cc(cn1C)S[13CH3] 62a_100000240937_200025704644 [0,1,0,0,1,0|1,1,0]=4 4242 B12R1.608 COC(=O)c1cc(cn1C)S[13CH3] 62a_200025704644_100000240937 [0,1,0,0,1,0|1,1,0]=4 4243 B12R1.608 COC(=O)c1cc(cn1N)SC 62a_100016993910_200000210301 [0,1,0,0,1,0|1,1,0]=4 4244 B12R1.608 COC(=O)c1cc(cn1N)SC 62a_200000210301_100016993910 [0,1,0,0,1,0|1,1,0]=4 4245 B12R1.608 COC(=O)c1cc(cn1N)S[13CH3] 62a_100016993910_200025704644 [0,1,0,0,1,0|1,1,0]=4 4246 B12R1.608 COC(=O)c1cc(cn1N)S[13CH3] 62a_200025704644_100016993910 [0,1,0,0,1,0|1,1,0]=4 4247 B12R1.608 COC(=O)c1cc(sc1C)SC 62a_100010187159_200000210301 [0,1,0,0,1,0|1,1,0]=4 4248 B12R1.608 COC(=O)c1cc(sc1C)SC 62a_200000210301_100010187159 [0,1,0,0,1,0|1,1,0]=4 4249 B12R1.608 COC(=O)c1cc(sc1C)S[13CH3] 62a_100010187159_200025704644 [0,1,0,0,1,0|1,1,0]=4 4250 B12R1.608 COC(=O)c1cc(sc1C)S[13CH3] 62a_200025704644_100010187159 [0,1,0,0,1,0|1,1,0]=4 4251 B12R1.608 COC(=O)c1oc(cc1C)SC 62a_200000210301_100000737583 [0,1,0,0,1,0|1,1,0]=4 4252 B12R1.608 COC(=O)c1oc(cc1C)S[13CH3] 62a_200025704644_100000737583 [0,1,0,0,1,0|1,1,0]=4 4253 B12R1.608 COC(=O)c1sc(cc1F)SC 62a_100010734428_200000210301 [0,1,0,0,1,0|1,1,0]=4 4254 B12R1.608 COC(=O)c1sc(cc1F)SC 62a_200000210301_100010734428 [0,1,0,0,1,0|1,1,0]=4 4255 B12R1.608 COC(=O)c1sc(cc1F)S[13CH3] 62a_100010734428_200025704644 [0,1,0,0,1,0|1,1,0]=4 4256 B12R1.608 COC(=O)c1sc(cc1F)S[13CH3] 62a_200025704644_100010734428 [0,1,0,0,1,0|1,1,0]=4 4257 B12R1.619 COC(=O)c1ccc(n1C)SC 62a_100010124797_200000210301 [0,1,0,0,1,0|1,1,0]=4 4258 B12R1.619 COC(=O)c1ccc(n1C)SC 62a_200000210301_100010124797 [0,1,0,0,1,0|1,1,0]=4 4259 B12R1.619 COC(=O)c1ccc(n1C)S[13CH3] 62a_100010124797_200025704644 [0,1,0,0,1,0|1,1,0]=4 4260 B12R1.619 COC(=O)c1ccc(n1C)S[13CH3] 62a_200025704644_100010124797 [0,1,0,0,1,0|1,1,0]=4 4261 B12R1.619 COC(=O)c1scc(c1C)SC 62a_200000210301_100010184805 [0,1,0,0,1,0|1,1,0]=4 4262 B12R1.619 COC(=O)c1scc(c1C)S[13CH3] 62a_200025704644_100010184805 [0,1,0,0,1,0|1,1,0]=4 4263 B14R1.3 C=C(Br)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100009813364 [0,1,0,0,0,1|1,0,1]=4 4264 B14R1.3 C=C(Br)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100009813364 [0,1,0,0,0,1|1,0,1]=4 4265 B14R1.3 C=C(C)C(=O)Cc1ccc(cc1)CC 1458a_100000185857_100000747183 [0,1,0,0,0,1|2,0,0]=4 4266 B14R1.3 C=C(C)C(=O)Cc1ccc(cc1)SC 1458a_100000185857_100000181263 [0,1,0,0,0,1|1,1,0]=4 4267 B14R1.3 C=C(C)C(=O)Cc1ccc(cn1)OC 1458a_100000185857_200000757186 [0,1,0,0,0,1|2,0,0]=4 4268 B14R1.3 C=C(C)C(=O)Cc1ccc(nc1)OC 1458a_100000185857_100020631284 [0,1,0,0,0,1|2,0,0]=4 4269 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)CC 11a_100000211069_100000185857 [0,1,0,0,0,1|2,0,0]=4 4270 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185857 [0,1,0,0,0,1|2,0,0]=4 4271 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185857 [0,1,0,0,0,1|2,0,0]=4 4272 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000185857 [0,1,0,0,0,1|1,0,0]=3 4273 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185857 [0,1,0,0,0,1|1,0,0]=3 4274 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185857 [0,1,0,0,0,1|1,0,0]=3 4275 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 34a_200000065598_200000210301 [0,1,0,0,0,1|1,0,0]=3 4276 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)O[13CH3] 34a_200000065598_200025704644 [0,1,0,0,0,1|1,0,0]=3 4277 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)SC 11a_100000212337_100000185857 [0,1,0,0,0,1|1,1,0]=4 4278 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185857 [0,1,0,0,0,1|1,1,0]=4 4279 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000039160 [0,1,0,0,0,1|1,0,1]=4 4280 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000039160 [0,1,0,0,0,1|1,0,1]=4 4281 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000039160 [0,1,0,0,0,1|1,0,1]=4 4282 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000036797 [0,1,0,0,0,1|1,0,1]=4 4283 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000036797 [0,1,0,0,0,1|1,0,1]=4 4284 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000036797 [0,1,0,0,0,1|1,0,1]=4 4285 B14R1.3 CC(C)C(=O)Nc1ccc(cc1)N[13CH3] 34a_100000181241_200025704644 [0,1,0,0,0,1|2,0,0]=4 4286 B14R1.3 CC(C)C(=O)Nc1ccc(cc1)S[13CH3] 62a_200000153573_200025704644 [0,1,0,0,0,1|1,1,0]=4 4287 B14R1.3 CC(C)C(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_200000153573 [0,1,0,0,0,1|1,1,0]=4 4288 B14R1.3 CCc1ccc(cc1)CC(=O)C(C)C 1458a_100000210198_100000747183 [0,1,0,0,0,1|2,0,0]=4 4289 B14R1.3 CCc1ccc(cc1)CC(=O)C(C)C 1458a_200000759805_100000210206 [0,1,0,0,0,1|2,0,0]=4 4290 B14R1.3 CCc1ccc(cc1)CC(=O)C(C)F 1458a_100000062450_100000747183 [0,1,0,0,0,1|2,0,0]=4 4291 B14R1.3 CCc1ccc(cc1)CC(=O)N(C)C 11a_100102631434_200000759805 [0,1,0,0,0,1|2,0,0]=4 4292 B14R1.3 CCc1ccc(cc1)CC(=O)N(C)C 1626a_100102631434_200000759805 [0,1,0,0,0,1|2,0,0]=4 4293 B14R1.3 CCc1ccc(cc1)CC(=O)N(C)C 240690a_100102631434_200000759805 [0,1,0,0,0,1|2,0,0]=4 4294 B14R1.3 CCc1ccc(cc1)CC(=O)N(C)C 527a_100102631434_200000759805 [0,1,0,0,0,1|2,0,0]=4 4295 B14R1.3 CCc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000747183 [0,1,0,0,0,1|2,0,0]=4 4296 B14R1.3 CCc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000747183 [0,1,0,0,0,1|2,0,0]=4 4297 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)C 11a_100000211069_100000210198 [0,1,0,0,0,1|2,0,0]=4 4298 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)C 1626a_100000211069_100000210198 [0,1,0,0,0,1|2,0,0]=4 4299 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)C 22a_100000211069_100000210198 [0,1,0,0,0,1|2,0,0]=4 4300 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)C 527a_100000211069_100000210198 [0,1,0,0,0,1|2,0,0]=4 4301 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)F 11a_100000211069_100000062450 [0,1,0,0,0,1|2,0,0]=4 4302 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)F 1626a_100000211069_100000062450 [0,1,0,0,0,1|2,0,0]=4 4303 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)F 22a_100000211069_100000062450 [0,1,0,0,0,1|2,0,0]=4 4304 B14R1.3 CCc1ccc(cc1)NC(=O)C(C)F 527a_100000211069_100000062450 [0,1,0,0,0,1|2,0,0]=4 4305 B14R1.3 CCc1ccc(cc1)NC(=O)N(C)C 2430a_100000211069_100102631434 [0,1,0,0,0,1|2,0,0]=4 4306 B14R1.3 CCc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000211069_100000717761 [0,1,0,0,0,1|2,0,0]=4 4307 B14R1.3 CCc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000211069_217856618621 [0,1,0,0,0,1|2,0,0]=4 4308 B14R1.3 CCc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000211069_217856618621 [0,1,0,0,0,1|2,0,0]=4 4309 B14R1.3 CN(C)C(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000740792_200025704644 [0,1,0,0,0,1|2,0,0]=4 4310 B14R1.3 CN(C)C(=O)Cc1ccc(cc1)N[13CH3] 34a_100000740792_200025704644 [0,1,0,0,0,1|2,0,0]=4 4311 B14R1.3 CN(C)C(=O)Cc1ccc(cc1)S[13CH3] 62a_100000159674_200025704644 [0,1,0,0,0,1|1,1,0]=4 4312 B14R1.3 CN(C)C(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000159674 [0,1,0,0,0,1|1,1,0]=4 4313 B14R1.3 CNc1ccc(cc1)CC(=O)N(C)C 2230a_100000740792_200000210301 [0,1,0,0,0,1|2,0,0]=4 4314 B14R1.3 CNc1ccc(cc1)CC(=O)N(C)C 34a_100000740792_200000210301 [0,1,0,0,0,1|2,0,0]=4 4315 B14R1.3 CNc1ccc(cc1)NC(=O)C(C)C 34a_100000181241_200000210301 [0,1,0,0,0,1|2,0,0]=4 4316 B14R1.3 COc1ccc(cc1)CC(=O)C(C)C 1458a_100000210706_100000210206 [0,1,0,0,0,1|1,0,0]=3 4317 B14R1.3 COc1ccc(cc1)CC(=O)N(C)C 11a_100102631434_100000210706 [0,1,0,0,0,1|1,0,0]=3 4318 B14R1.3 COc1ccc(cc1)CC(=O)N(C)C 240690a_100102631434_100000210706 [0,1,0,0,0,1|1,0,0]=3 4319 B14R1.3 COc1ccc(cc1)CC(=O)N(C)C 527a_100102631434_100000210706 [0,1,0,0,0,1|1,0,0]=3 4320 B14R1.3 COc1ccc(cc1)NC(=O)C(=O)N 22a_100000184247_100011215815 [0,1,0,0,0,1|2,0,0]=4 4321 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 11a_100000184247_100000210198 [0,1,0,0,0,1|1,0,0]=3 4322 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 1626a_100000184247_100000210198 [0,1,0,0,0,1|1,0,0]=3 4323 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 22a_100000184247_100000210198 [0,1,0,0,0,1|1,0,0]=3 4324 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 527a_100000184247_100000210198 [0,1,0,0,0,1|1,0,0]=3 4325 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 11a_100000184247_100000062450 [0,1,0,0,0,1|1,0,0]=3 4326 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 1626a_100000184247_100000062450 [0,1,0,0,0,1|1,0,0]=3 4327 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 22a_100000184247_100000062450 [0,1,0,0,0,1|1,0,0]=3 4328 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 527a_100000184247_100000062450 [0,1,0,0,0,1|1,0,0]=3 4329 B14R1.3 COc1ccc(cc1)NC(=O)C(F)F 11a_100000184247_100000210393 [0,1,0,0,0,1|2,0,0]=4 4330 B14R1.3 COc1ccc(cc1)NC(=O)C(F)F 1626a_100000184247_100000210393 [0,1,0,0,0,1|2,0,0]=4 4331 B14R1.3 COc1ccc(cc1)NC(=O)C(F)F 22a_100000184247_100000210393 [0,1,0,0,0,1|2,0,0]=4 4332 B14R1.3 COc1ccc(cc1)NC(=O)C(F)F 527a_100000184247_100000210393 [0,1,0,0,0,1|2,0,0]=4 4333 B14R1.3 COc1ccc(cc1)NC(=O)C(O)O 22a_100000184247_100000233687 [0,1,0,0,0,1|2,0,0]=4 4334 B14R1.3 COc1ccc(cc1)NC(=O)N(C)C 2430a_100000184247_100102631434 [0,1,0,0,0,1|1,0,0]=3 4335 B14R1.3 COc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000184247_100000717761 [0,1,0,0,0,1|1,0,0]=3 4336 B14R1.3 COc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000184247_217856618621 [0,1,0,0,0,1|1,0,0]=3 4337 B14R1.3 COc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000184247_217856618621 [0,1,0,0,0,1|1,0,0]=3 4338 B14R1.3 COc1ccc(cn1)CC(=O)C(C)C 1458a_100000210198_100020631284 [0,1,0,0,0,1|2,0,0]=4 4339 B14R1.3 COc1ccc(cn1)CC(=O)C(C)C 1458a_100012001117_100000210206 [0,1,0,0,0,1|2,0,0]=4 4340 B14R1.3 COc1ccc(cn1)CC(=O)C(C)F 1458a_100000062450_100020631284 [0,1,0,0,0,1|2,0,0]=4 4341 B14R1.3 COc1ccc(cn1)CC(=O)N(C)C 11a_100102631434_100012001117 [0,1,0,0,0,1|2,0,0]=4 4342 B14R1.3 COc1ccc(cn1)CC(=O)N(C)C 240690a_100102631434_100012001117 [0,1,0,0,0,1|2,0,0]=4 4343 B14R1.3 COc1ccc(cn1)CC(=O)N(C)C 527a_100102631434_100012001117 [0,1,0,0,0,1|2,0,0]=4 4344 B14R1.3 COc1ccc(cn1)CC(=O)[C@@H](C)O 1458a_100000717761_100020631284 [0,1,0,0,0,1|2,0,0]=4 4345 B14R1.3 COc1ccc(cn1)CC(=O)[C@H](C)O 1458a_217856618621_100020631284 [0,1,0,0,0,1|2,0,0]=4 4346 B14R1.3 COc1ccc(nc1)CC(=O)C(C)C 1458a_100000210198_200000757186 [0,1,0,0,0,1|2,0,0]=4 4347 B14R1.3 COc1ccc(nc1)CC(=O)C(C)C 1458a_100000722272_100000210206 [0,1,0,0,0,1|2,0,0]=4 4348 B14R1.3 COc1ccc(nc1)CC(=O)C(C)F 1458a_100000062450_200000757186 [0,1,0,0,0,1|2,0,0]=4 4349 B14R1.3 COc1ccc(nc1)CC(=O)N(C)C 11a_100102631434_100000722272 [0,1,0,0,0,1|2,0,0]=4 4350 B14R1.3 COc1ccc(nc1)CC(=O)N(C)C 240690a_100102631434_100000722272 [0,1,0,0,0,1|2,0,0]=4 4351 B14R1.3 COc1ccc(nc1)CC(=O)N(C)C 527a_100102631434_100000722272 [0,1,0,0,0,1|2,0,0]=4 4352 B14R1.3 COc1ccc(nc1)CC(=O)[C@@H](C)O 1458a_100000717761_200000757186 [0,1,0,0,0,1|2,0,0]=4 4353 B14R1.3 COc1ccc(nc1)CC(=O)[C@H](C)O 1458a_217856618621_200000757186 [0,1,0,0,0,1|2,0,0]=4 4354 B14R1.3 CSc1ccc(cc1)CC(=O)C(C)C 1458a_100000210198_100000181263 [0,1,0,0,0,1|1,1,0]=4 4355 B14R1.3 CSc1ccc(cc1)CC(=O)C(C)C 1458a_100000756958_100000210206 [0,1,0,0,0,1|1,1,0]=4 4356 B14R1.3 CSc1ccc(cc1)CC(=O)C(C)F 1458a_100000062450_100000181263 [0,1,0,0,0,1|1,1,0]=4 4357 B14R1.3 CSc1ccc(cc1)CC(=O)N(C)C 11a_100102631434_100000756958 [0,1,0,0,0,1|1,1,0]=4 4358 B14R1.3 CSc1ccc(cc1)CC(=O)N(C)C 1626a_100102631434_100000756958 [0,1,0,0,0,1|1,1,0]=4 4359 B14R1.3 CSc1ccc(cc1)CC(=O)N(C)C 240690a_100102631434_100000756958 [0,1,0,0,0,1|1,1,0]=4 4360 B14R1.3 CSc1ccc(cc1)CC(=O)N(C)C 527a_100102631434_100000756958 [0,1,0,0,0,1|1,1,0]=4 4361 B14R1.3 CSc1ccc(cc1)CC(=O)N(C)C 62a_100000159674_200000210301 [0,1,0,0,0,1|1,1,0]=4 4362 B14R1.3 CSc1ccc(cc1)CC(=O)N(C)C 62a_200000210301_100000159674 [0,1,0,0,0,1|1,1,0]=4 4363 B14R1.3 CSc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000181263 [0,1,0,0,0,1|1,1,0]=4 4364 B14R1.3 CSc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000181263 [0,1,0,0,0,1|1,1,0]=4 4365 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)C 11a_100000212337_100000210198 [0,1,0,0,0,1|1,1,0]=4 4366 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)C 22a_100000212337_100000210198 [0,1,0,0,0,1|1,1,0]=4 4367 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)C 527a_100000212337_100000210198 [0,1,0,0,0,1|1,1,0]=4 4368 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)C 62a_200000153573_200000210301 [0,1,0,0,0,1|1,1,0]=4 4369 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)C 62a_200000210301_200000153573 [0,1,0,0,0,1|1,1,0]=4 4370 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)F 11a_100000212337_100000062450 [0,1,0,0,0,1|1,1,0]=4 4371 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)F 22a_100000212337_100000062450 [0,1,0,0,0,1|1,1,0]=4 4372 B14R1.3 CSc1ccc(cc1)NC(=O)C(C)F 527a_100000212337_100000062450 [0,1,0,0,0,1|1,1,0]=4 4373 B14R1.3 CSc1ccc(cc1)NC(=O)N(C)C 2430a_100000212337_100102631434 [0,1,0,0,0,1|1,1,0]=4 4374 B14R1.3 CSc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000212337_100000717761 [0,1,0,0,0,1|1,1,0]=4 4375 B14R1.3 CSc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000212337_217856618621 [0,1,0,0,0,1|1,1,0]=4 4376 B14R1.7 C=CC(=O)N(C)c1ccc(cc1)OC 1626a_100000220023_100000185746 [0,1,0,0,0,1|1,0,1]=4 4377 B14R1.7 C=CC(=O)N(C)c1ccc(cc1)OC 22a_100000220023_100000185746 [0,1,0,0,0,1|1,0,1]=4 4378 B14R1.7 C=Cc1ccc(cc1)C(=O)C(=O)OC 271570a_100011290941_100012339527 [0,1,0,0,0,1|1,0,1]=4 4379 B14R1.7 C=Cc1ccc(cc1)C(N)C(=O)OC 271570a_100011290941_100000747369 [0,1,0,0,0,1|1,0,1]=4 4380 B14R1.7 CCC(=O)C(C)c1ccc(cc1)OC 1458a_100000753396_100000210202 [0,1,0,0,0,1|1,0,0]=3 4381 B14R1.7 CCC(=O)C(O)c1ccc(cc1)OC 1458a_100011218652_100000210202 [0,1,0,0,0,1|1,0,0]=3 4382 B14R1.7 CCC(=O)N(C)c1ccc(cc1)NC 34a_100011243721_200000210301 [0,1,0,0,0,1|2,0,0]=4 4383 B14R1.7 CCC(=O)N(C)c1ccc(cc1)N[13CH3] 34a_100011243721_200025704644 [0,1,0,0,0,1|2,0,0]=4 4384 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 11a_100000220023_100000210414 [0,1,0,0,0,1|1,0,0]=3 4385 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 1626a_100000220023_100000210414 [0,1,0,0,0,1|1,0,0]=3 4386 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 22a_100000220023_100000210414 [0,1,0,0,0,1|1,0,0]=3 4387 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 527a_100000220023_100000210414 [0,1,0,0,0,1|1,0,0]=3 4388 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 11a_106832991635_100000753396 [0,1,0,0,0,1|1,0,0]=3 4389 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 1626a_100102657272_100000753396 [0,1,0,0,0,1|1,0,0]=3 4390 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 240690a_100102657272_100000753396 [0,1,0,0,0,1|1,0,0]=3 4391 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 527a_100102657272_100000753396 [0,1,0,0,0,1|1,0,0]=3 4392 B14R1.7 CNC(=O)C(O)c1ccc(cc1)OC 240690a_100102657272_100011218652 [0,1,0,0,0,1|1,0,0]=3 4393 B14R1.7 CNC(=O)N(C)c1ccc(cc1)OC 512a_106832991638_100000220023 [0,1,0,0,0,1|1,0,0]=3 4394 B14R1.7 COC(=O)C(=O)c1ccc(cc1)OC 34a_100010658548_200000210301 [0,1,0,0,0,1|0,0,0]=2 4395 B14R1.7 COC(=O)C(=O)c1ccc(cc1)O[13CH3] 34a_100010658548_200025704644 [0,1,0,0,0,1|0,0,0]=2 4396 B14R1.7 COC(=O)C(=O)c1ccc(cc1)SC 62a_100012339527_200000210301 [0,1,0,0,0,1|0,1,0]=3 4397 B14R1.7 COC(=O)C(=O)c1ccc(cc1)SC 62a_200000210301_100012339527 [0,1,0,0,0,1|0,1,0]=3 4398 B14R1.7 COC(=O)C(=O)c1ccc(cc1)S[13CH3] 62a_100012339527_200025704644 [0,1,0,0,0,1|0,1,0]=3 4399 B14R1.7 COC(=O)C(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100012339527 [0,1,0,0,0,1|0,1,0]=3 4400 B14R1.7 COC(=O)C(N)c1ccc(cc1)SC 62a_100000747369_200000210301 [0,1,0,0,0,1|0,1,0]=3 4401 B14R1.7 COC(=O)C(N)c1ccc(cc1)SC 62a_200000210301_100000747369 [0,1,0,0,0,1|0,1,0]=3 4402 B14R1.7 COC(=O)C(N)c1ccc(cc1)S[13CH3] 62a_100000747369_200025704644 [0,1,0,0,0,1|0,1,0]=3 4403 B14R1.7 COC(=O)C(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000747369 [0,1,0,0,0,1|0,1,0]=3 4404 B14R1.7 COC(=O)[C@H](N)c1ccc(cc1)OC 34a_100009816592_200000210301 [0,1,0,0,0,1|0,0,0]=2 4405 B14R1.7 COC(=O)[C@H](N)c1ccc(cc1)O[13CH3] 34a_100009816592_200025704644 [0,1,0,0,0,1|0,0,0]=2 4406 B14R1.7 COc1ccc(cc1)C(C)C(=O)CF 1458a_100000753396_100015361967 [0,1,0,0,0,1|2,0,0]=4 4407 B14R1.7 COc1ccc(cc1)C(O)C(=O)CF 1458a_100011218652_100015361967 [0,1,0,0,0,1|2,0,0]=4 4408 B14R1.7 COc1ccc(cc1)N(C)C(=O)CO 22a_100000220023_100000210174 [0,1,0,0,0,1|2,0,0]=4 4409 B14R1.7 COc1ccc(cc1)N(C)C(=O)CO 527a_100000220023_100000210174 [0,1,0,0,0,1|2,0,0]=4 4410 B14R1.7 COc1ccc(cc1)N(C)C(C)OC 269982a_100000220023_100009879195 [0,1,0,0,0,1|1,0,1]=4 4411 B14R1.24 C=C=Cc1ccc(cc1)CC(=O)OC 271570a_100015277604_100000149743 [0,1,0,0,0,1|1,0,1]=4 4412 B14R1.24 C=C=Cc1ccc(cc1)NC(=O)OC 271570a_100015277604_100000181880 [0,1,0,0,0,1|1,0,1]=4 4413 B14R1.24 C=CC(=O)Nc1ccc(cc1)COC 1626a_100000694113_100000185746 [0,1,0,0,0,1|1,0,1]=4 4414 B14R1.24 C=CC(=O)Nc1ccc(cc1)COC 22a_100000694113_100000185746 [0,1,0,0,0,1|1,0,1]=4 4415 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 1626a_100000739623_100000185746 [0,1,0,0,0,1|1,0,1]=4 4416 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 22a_100000739623_100000185746 [0,1,0,0,0,1|1,0,1]=4 4417 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 34a_100011235904_100000210202 [0,1,0,0,0,1|1,0,1]=4 4418 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCF 34a_100011235904_100015361967 [0,1,0,0,0,1|1,0,1]=4 4419 B14R1.24 CC=Cc1ccc(cc1)CC(=O)NC 271570a_100016259895_100000155101 [0,1,0,0,0,1|2,0,0]=4 4420 B14R1.24 CC=Cc1ccc(cc1)CC(=O)OC 271570a_100016259895_100000149743 [0,1,0,0,0,1|1,0,0]=3 4421 B14R1.24 CC=Cc1ccc(cc1)NC(=O)OC 271570a_100016259895_100000181880 [0,1,0,0,0,1|1,0,0]=3 4422 B14R1.24 CC=Cc1ccc(cc1)OC(=O)CC 271570a_100016259895_200009811598 [0,1,0,0,0,1|2,0,0]=4 4423 B14R1.24 CC=Cc1ccc(cn1)CC(=O)OC 271570a_100016259895_100000071674 [0,1,0,0,0,1|2,0,0]=4 4424 B14R1.24 CC=Cc1ccc(nc1)CC(=O)OC 271570a_100016259895_100012362609 [0,1,0,0,0,1|2,0,0]=4 4425 B14R1.24 CC=Cc1ccc(nc1)NC(=O)OC 271570a_100016259895_100000188976 [0,1,0,0,0,1|2,0,0]=4 4426 B14R1.24 CCC(=O)Cc1ccc(cc1)COC 1458a_100011290826_100000210202 [0,1,0,0,0,1|1,0,0]=3 4427 B14R1.24 CCC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000210414 [0,1,0,0,0,1|2,0,0]=4 4428 B14R1.24 CCC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100000210414 [0,1,0,0,0,1|2,0,0]=4 4429 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 11a_100000694113_100000210414 [0,1,0,0,0,1|1,0,0]=3 4430 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 1626a_100000694113_100000210414 [0,1,0,0,0,1|1,0,0]=3 4431 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 22a_100000694113_100000210414 [0,1,0,0,0,1|1,0,0]=3 4432 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 527a_100000694113_100000210414 [0,1,0,0,0,1|1,0,0]=3 4433 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 11a_106726388226_100000210414 [0,1,0,0,0,1|1,1,0]=4 4434 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 1626a_106726388226_100000210414 [0,1,0,0,0,1|1,1,0]=4 4435 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 22a_106726388226_100000210414 [0,1,0,0,0,1|1,1,0]=4 4436 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 527a_106726388226_100000210414 [0,1,0,0,0,1|1,1,0]=4 4437 B14R1.24 CCC(=O)Nc1ccc(cc1)NCF 34a_100000186511_100015361967 [0,1,0,0,0,1|2,0,0]=4 4438 B14R1.24 CCC(=O)Nc1ccc(cc1)OCF 34a_200000243810_100015361967 [0,1,0,0,0,1|1,0,0]=3 4439 B14R1.24 CCC(=O)Nc1ccc(cc1)OCF 7a_200000243810_100015361967 [0,1,0,0,0,1|1,0,0]=3 4440 B14R1.24 CCC(=O)Oc1ccc(cc1)CNC 270004a_106832991635_200000014686 [0,1,0,0,0,1|2,0,0]=4 4441 B14R1.24 CCC(=O)Oc1ccc(cc1)SCF 62a_100015361967_200009811598 [0,1,0,0,0,1|1,1,0]=4 4442 B14R1.24 CCCc1ccc(cc1)CC(=O)CC 1458a_100000186164_100000210202 [0,1,0,0,0,1|2,0,0]=4 4443 B14R1.24 CCCc1ccc(cc1)CC(=O)CC 1458a_100000210414_100011982809 [0,1,0,0,0,1|2,0,0]=4 4444 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 11a_106832991635_100000186164 [0,1,0,0,0,1|2,0,0]=4 4445 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 1626a_100102657272_100000186164 [0,1,0,0,0,1|2,0,0]=4 4446 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 240690a_100102657272_100000186164 [0,1,0,0,0,1|2,0,0]=4 4447 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 527a_100102657272_100000186164 [0,1,0,0,0,1|2,0,0]=4 4448 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 11a_100000211780_100000210414 [0,1,0,0,0,1|2,0,0]=4 4449 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 1626a_100000211780_100000210414 [0,1,0,0,0,1|2,0,0]=4 4450 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 22a_100000211780_100000210414 [0,1,0,0,0,1|2,0,0]=4 4451 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 527a_100000211780_100000210414 [0,1,0,0,0,1|2,0,0]=4 4452 B14R1.24 CCCc1ccc(cc1)NC(=O)NC 2430a_100000211780_100102657272 [0,1,0,0,0,1|2,0,0]=4 4453 B14R1.24 CCNc1ccc(cc1)CC(=O)NC 2230a_100000736799_100000210202 [0,1,0,0,0,1|2,0,0]=4 4454 B14R1.24 CCNc1ccc(cc1)CC(=O)NC 34a_100000736799_100000210202 [0,1,0,0,0,1|2,0,0]=4 4455 B14R1.24 CCNc1ccc(cc1)NC(=O)CC 34a_100000186511_100000210202 [0,1,0,0,0,1|2,0,0]=4 4456 B14R1.24 CCOc1ccc(cc1)CC(=O)CC 1458a_100000183096_100000210202 [0,1,0,0,0,1|1,0,0]=3 4457 B14R1.24 CCOc1ccc(cc1)CC(=O)CF 1458a_100000183096_100015361967 [0,1,0,0,0,1|2,0,0]=4 4458 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 11a_106832991635_100000183096 [0,1,0,0,0,1|1,0,0]=3 4459 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 1626a_100102657272_100000183096 [0,1,0,0,0,1|1,0,0]=3 4460 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 240690a_100102657272_100000183096 [0,1,0,0,0,1|1,0,0]=3 4461 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 34a_200000020795_100000210202 [0,1,0,0,0,1|1,0,0]=3 4462 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 527a_100102657272_100000183096 [0,1,0,0,0,1|1,0,0]=3 4463 B14R1.24 CCOc1ccc(cc1)CC(=O)NN 34a_100000020777_100000210202 [0,1,0,0,0,1|2,0,0]=4 4464 B14R1.24 CCOc1ccc(cc1)CC(=O)OC 34a_100000211648_100000210202 [0,1,0,0,0,1|0,0,0]=2 4465 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 11a_100000739623_100000210414 [0,1,0,0,0,1|1,0,0]=3 4466 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 1626a_100000739623_100000210414 [0,1,0,0,0,1|1,0,0]=3 4467 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 22a_100000739623_100000210414 [0,1,0,0,0,1|1,0,0]=3 4468 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 34a_200000243810_100000210202 [0,1,0,0,0,1|1,0,0]=3 4469 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 527a_100000739623_100000210414 [0,1,0,0,0,1|1,0,0]=3 4470 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 7a_200000243810_100000210202 [0,1,0,0,0,1|1,0,0]=3 4471 B14R1.24 CCOc1ccc(cc1)NC(=O)CCl 34a_100000233757_100000210202 [0,1,0,0,0,1|2,0,0]=4 4472 B14R1.24 CCOc1ccc(cc1)NC(=O)CO 22a_100000739623_100000210174 [0,1,0,0,0,1|2,0,0]=4 4473 B14R1.24 CCOc1ccc(cc1)NC(=O)CO 527a_100000739623_100000210174 [0,1,0,0,0,1|2,0,0]=4 4474 B14R1.24 CCOc1ccc(cc1)NC(=O)NC 2430a_100000739623_100102657272 [0,1,0,0,0,1|1,0,0]=3 4475 B14R1.24 CCOc1ccc(cc1)NC(=O)OC 34a_100011235918_100000210202 [0,1,0,0,0,1|0,0,0]=2 4476 B14R1.24 CCOc1ccc(cc1)SC(C)OC 62a_100009879195_100000171712 [0,1,0,0,0,1|1,0,1]=4 4477 B14R1.24 CCSc1ccc(cc1)CC(=O)NC 62a_100000155101_100000210202 [0,1,0,0,0,1|1,1,0]=4 4478 B14R1.24 CCSc1ccc(cc1)CC(=O)NC 62a_100000210202_100000155101 [0,1,0,0,0,1|1,1,0]=4 4479 B14R1.24 CCSc1ccc(cc1)CC(=O)OC 62a_100000149743_100000210202 [0,1,0,0,0,1|0,1,0]=3 4480 B14R1.24 CCSc1ccc(cc1)CC(=O)OC 62a_100000210202_100000149743 [0,1,0,0,0,1|0,1,0]=3 4481 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 11a_100015187087_100000210414 [0,1,0,0,0,1|1,1,0]=4 4482 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 1626a_100015187087_100000210414 [0,1,0,0,0,1|1,1,0]=4 4483 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 22a_100015187087_100000210414 [0,1,0,0,0,1|1,1,0]=4 4484 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 527a_100015187087_100000210414 [0,1,0,0,0,1|1,1,0]=4 4485 B14R1.24 CCSc1ccc(cc1)NC(=O)NC 2430a_100015187087_100102657272 [0,1,0,0,0,1|1,1,0]=4 4486 B14R1.24 CCSc1ccc(cc1)NC(=O)OC 62a_100000210202_100000181880 [0,1,0,0,0,1|0,1,0]=3 4487 B14R1.24 CCSc1ccc(cc1)OC(=O)CC 62a_100000210202_200009811598 [0,1,0,0,0,1|1,1,0]=4 4488 B14R1.24 CCSc1ccc(cn1)CC(=O)OC 62a_100000071674_100000210202 [0,1,0,0,0,1|1,1,0]=4 4489 B14R1.24 CCSc1ccc(cn1)CC(=O)OC 62a_100000210202_100000071674 [0,1,0,0,0,1|1,1,0]=4 4490 B14R1.24 CCSc1ccc(nc1)CC(=O)OC 62a_100000210202_100012362609 [0,1,0,0,0,1|1,1,0]=4 4491 B14R1.24 CCSc1ccc(nc1)CC(=O)OC 62a_100012362609_100000210202 [0,1,0,0,0,1|1,1,0]=4 4492 B14R1.24 CCSc1ccc(nc1)NC(=O)OC 62a_100000210202_100000188976 [0,1,0,0,0,1|1,1,0]=4 4493 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 11a_106832991635_100011290826 [0,1,0,0,0,1|1,0,0]=3 4494 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 1626a_100102657272_100011290826 [0,1,0,0,0,1|1,0,0]=3 4495 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 240690a_100102657272_100011290826 [0,1,0,0,0,1|1,0,0]=3 4496 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 527a_100102657272_100011290826 [0,1,0,0,0,1|1,0,0]=3 4497 B14R1.24 CNC(=O)Cc1ccc(cc1)NCF 34a_100000736799_100015361967 [0,1,0,0,0,1|2,0,0]=4 4498 B14R1.24 CNC(=O)Cc1ccc(cc1)OCF 34a_200000020795_100015361967 [0,1,0,0,0,1|1,0,0]=3 4499 B14R1.24 CNC(=O)Cc1ccc(cc1)SCF 62a_100000155101_100015361967 [0,1,0,0,0,1|1,1,0]=4 4500 B14R1.24 CNC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000155101 [0,1,0,0,0,1|1,1,0]=4 4501 B14R1.24 CNC(=O)Nc1ccc(cc1)COC 2430a_100000694113_100102657272 [0,1,0,0,0,1|1,0,0]=3 4502 B14R1.24 CNC(=O)Nc1ccc(cc1)CSC 2430a_106726388226_100102657272 [0,1,0,0,0,1|1,1,0]=4 4503 B14R1.24 CNC(=O)Nc1ccc(cc1)CSC 512a_106726388226_100102657272 [0,1,0,0,0,1|1,1,0]=4 4504 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 2230a_106832991635_100009816886 [0,1,0,0,0,1|1,0,0]=3 4505 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 270004a_106832991635_100009886798 [0,1,0,0,0,1|1,0,0]=3 4506 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 34a_100102657272_100009816886 [0,1,0,0,0,1|1,0,0]=3 4507 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 7a_106832991635_100009816886 [0,1,0,0,0,1|1,0,0]=3 4508 B14R1.24 COC(=O)Cc1ccc(cc1)CO[13CH3] 34a_100000087118_200025704644 [0,1,0,0,0,1|0,0,0]=2 4509 B14R1.24 COC(=O)Cc1ccc(cc1)CSC 62a_100009816886_200000210301 [0,1,0,0,0,1|0,1,0]=3 4510 B14R1.24 COC(=O)Cc1ccc(cc1)CSC 62a_200000210301_100009816886 [0,1,0,0,0,1|0,1,0]=3 4511 B14R1.24 COC(=O)Cc1ccc(cc1)CS[13CH3] 62a_100009816886_200025704644 [0,1,0,0,0,1|0,1,0]=3 4512 B14R1.24 COC(=O)Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100009816886 [0,1,0,0,0,1|0,1,0]=3 4513 B14R1.24 COC(=O)Cc1ccc(cc1)OCF 34a_100000211648_100015361967 [0,1,0,0,0,1|0,0,0]=2 4514 B14R1.24 COC(=O)Cc1ccc(cc1)SCF 62a_100000149743_100015361967 [0,1,0,0,0,1|0,1,0]=3 4515 B14R1.24 COC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000149743 [0,1,0,0,0,1|0,1,0]=3 4516 B14R1.24 COC(=O)Cc1ccc(cn1)SCF 62a_100012362609_100015361967 [0,1,0,0,0,1|1,1,0]=4 4517 B14R1.24 COC(=O)Cc1ccc(cn1)SCF 62a_100015361967_100012362609 [0,1,0,0,0,1|1,1,0]=4 4518 B14R1.24 COC(=O)Cc1ccc(nc1)SCF 62a_100000071674_100015361967 [0,1,0,0,0,1|1,1,0]=4 4519 B14R1.24 COC(=O)Cc1ccc(nc1)SCF 62a_100015361967_100000071674 [0,1,0,0,0,1|1,1,0]=4 4520 B14R1.24 COC(=O)Nc1ccc(cc1)OCF 34a_100011235918_100015361967 [0,1,0,0,0,1|0,0,0]=2 4521 B14R1.24 COC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000181880 [0,1,0,0,0,1|0,1,0]=3 4522 B14R1.24 COC(=O)Nc1ccc(cn1)SCF 62a_100015361967_100000188976 [0,1,0,0,0,1|1,1,0]=4 4523 B14R1.24 COCc1ccc(cc1)CC(=O)CF 1458a_100011290826_100015361967 [0,1,0,0,0,1|2,0,0]=4 4524 B14R1.24 COCc1ccc(cc1)CC(=O)OC 34a_100000087118_200000210301 [0,1,0,0,0,1|0,0,0]=2 4525 B14R1.24 COCc1ccc(cc1)CC(=O)OC 34a_100138415774_100009816886 [0,1,0,0,0,1|0,0,0]=2 4526 B14R1.24 COCc1ccc(cc1)NC(=O)CO 22a_100000694113_100000210174 [0,1,0,0,0,1|2,0,0]=4 4527 B14R1.24 COCc1ccc(cc1)NC(=O)CO 527a_100000694113_100000210174 [0,1,0,0,0,1|2,0,0]=4 4528 B14R1.24 COCc1ccc(cc1)SC(C)OC 62a_100009879195_100011493685 [0,1,0,0,0,1|1,0,1]=4 4529 B14R1.24 COCc1ccc(cc1)SC(C)OC 62a_100011493685_100009879195 [0,1,0,0,0,1|1,0,1]=4 4530 B14R1.24 NNC(=O)Cc1ccc(cc1)OCF 34a_100000020777_100015361967 [0,1,0,0,0,1|2,0,0]=4 4531 B14R1.24 O=C(CCl)Nc1ccc(cc1)OCF 34a_100000233757_100015361967 [0,1,0,0,0,1|2,0,0]=4 4532 B14R1.215 CCS(=O)(=O)Nc1ccc(cc1)OC 40a_100000184247_100000053943 [0,1,0,0,0,1|2,0,0]=4 4533 B14R1.215 COc1ccc(cc1)CC(C)(C)OC 7a_100011835641_200000210301 [0,1,0,0,0,1|1,0,1]=4 4534 B14R1.215 COc1ccc(cc1)CC(C)(C)O[13CH3] 7a_100011835641_200025704644 [0,1,0,0,0,1|1,0,1]=4 4535 B14R1.954 C#CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000184674 [0,1,0,0,0,1|1,0,1]=4 4536 B14R1.954 C#CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100011220946 [0,1,0,0,0,1|1,0,1]=4 4537 B14R1.954 C#CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100011220946 [0,1,0,0,0,1|1,0,1]=4 4538 B14R1.954 C#Cc1ccc(cc1)CC(=O)COC 1458a_100000210968_100000140223 [0,1,0,0,0,1|1,0,1]=4 4539 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 11a_100011215031_100000210968 [0,1,0,0,0,1|1,0,1]=4 4540 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 1626a_100011215031_100000210968 [0,1,0,0,0,1|1,0,1]=4 4541 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 22a_100011215031_100000210968 [0,1,0,0,0,1|1,0,1]=4 4542 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 527a_100011215031_100000210968 [0,1,0,0,0,1|1,0,1]=4 4543 B14R1.954 C=CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210623 [0,1,0,0,0,1|1,0,1]=4 4544 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210193 [0,1,0,0,0,1|1,0,1]=4 4545 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210193 [0,1,0,0,0,1|1,0,1]=4 4546 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210193 [0,1,0,0,0,1|1,0,1]=4 4547 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210193 [0,1,0,0,0,1|1,0,1]=4 4548 B14R1.954 C=Cc1ccc(cc1)CC(=O)COC 1458a_100000210968_100000034074 [0,1,0,0,0,1|1,0,1]=4 4549 B14R1.954 C=Cc1ccc(cc1)CC(=O)OCC 271570a_100011290941_100000170549 [0,1,0,0,0,1|1,0,1]=4 4550 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 11a_100011218248_100000210968 [0,1,0,0,0,1|1,0,1]=4 4551 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 1626a_100011218248_100000210968 [0,1,0,0,0,1|1,0,1]=4 4552 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 22a_100011218248_100000210968 [0,1,0,0,0,1|1,0,1]=4 4553 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 527a_100011218248_100000210968 [0,1,0,0,0,1|1,0,1]=4 4554 B14R1.954 C=Cc1ccc(cc1)NC(=O)OCC 271570a_100011290941_100000158341 [0,1,0,0,0,1|1,0,1]=4 4555 B14R1.954 CC#CC(=O)Cc1ccc(cc1)CC 1458a_100000763181_100000747183 [0,1,0,0,0,1|2,0,0]=4 4556 B14R1.954 CC#CC(=O)Cc1ccc(cc1)SC 1458a_100000763181_100000181263 [0,1,0,0,0,1|1,1,0]=4 4557 B14R1.954 CC#CC(=O)Cc1ccc(cn1)OC 1458a_100000763181_200000757186 [0,1,0,0,0,1|2,0,0]=4 4558 B14R1.954 CC#CC(=O)Cc1ccc(nc1)OC 1458a_100000763181_100020631284 [0,1,0,0,0,1|2,0,0]=4 4559 B14R1.954 CC#CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000763181 [0,1,0,0,0,1|2,0,0]=4 4560 B14R1.954 CC#CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000763181 [0,1,0,0,0,1|1,0,0]=3 4561 B14R1.954 CC#CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000763181 [0,1,0,0,0,1|1,1,0]=4 4562 B14R1.954 CC=CC(=O)Cc1ccc(cc1)CC 1458a_100000210699_100000747183 [0,1,0,0,0,1|2,0,0]=4 4563 B14R1.954 CC=CC(=O)Cc1ccc(cc1)SC 1458a_100000210699_100000181263 [0,1,0,0,0,1|1,1,0]=4 4564 B14R1.954 CC=CC(=O)Cc1ccc(cn1)OC 1458a_100000210699_200000757186 [0,1,0,0,0,1|2,0,0]=4 4565 B14R1.954 CC=CC(=O)Cc1ccc(nc1)OC 1458a_100000210699_100020631284 [0,1,0,0,0,1|2,0,0]=4 4566 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210699 [0,1,0,0,0,1|2,0,0]=4 4567 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210699 [0,1,0,0,0,1|2,0,0]=4 4568 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210699 [0,1,0,0,0,1|2,0,0]=4 4569 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210699 [0,1,0,0,0,1|1,0,0]=3 4570 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210699 [0,1,0,0,0,1|1,0,0]=3 4571 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210699 [0,1,0,0,0,1|1,0,0]=3 4572 B14R1.954 CC=CC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210699 [0,1,0,0,0,1|1,1,0]=4 4573 B14R1.954 CC=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210699 [0,1,0,0,0,1|1,1,0]=4 4574 B14R1.954 CCCC(=O)Cc1ccc(cc1)CC 1458a_100000211992_100000747183 [0,1,0,0,0,1|2,0,0]=4 4575 B14R1.954 CCCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210303 [0,1,0,0,0,1|2,0,0]=4 4576 B14R1.954 CCCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210303 [0,1,0,0,0,1|1,0,0]=3 4577 B14R1.954 CCCC(=O)Cc1ccc(cc1)SC 1458a_100000211992_100000181263 [0,1,0,0,0,1|1,1,0]=4 4578 B14R1.954 CCCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210303 [0,1,0,0,0,1|1,1,0]=4 4579 B14R1.954 CCCC(=O)Cc1ccc(cn1)OC 1458a_100000211992_200000757186 [0,1,0,0,0,1|2,0,0]=4 4580 B14R1.954 CCCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210303 [0,1,0,0,0,1|2,0,0]=4 4581 B14R1.954 CCCC(=O)Cc1ccc(nc1)OC 1458a_100000211992_100020631284 [0,1,0,0,0,1|2,0,0]=4 4582 B14R1.954 CCCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210303 [0,1,0,0,0,1|2,0,0]=4 4583 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000211992 [0,1,0,0,0,1|2,0,0]=4 4584 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000211992 [0,1,0,0,0,1|2,0,0]=4 4585 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000211992 [0,1,0,0,0,1|2,0,0]=4 4586 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000211992 [0,1,0,0,0,1|2,0,0]=4 4587 B14R1.954 CCCC(=O)Nc1ccc(cc1)NC 34a_200000186512_200000210301 [0,1,0,0,0,1|2,0,0]=4 4588 B14R1.954 CCCC(=O)Nc1ccc(cc1)N[13CH3] 34a_200000186512_200025704644 [0,1,0,0,0,1|2,0,0]=4 4589 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000211992 [0,1,0,0,0,1|1,0,0]=3 4590 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000211992 [0,1,0,0,0,1|1,0,0]=3 4591 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000211992 [0,1,0,0,0,1|1,0,0]=3 4592 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 34a_200011217123_200000210301 [0,1,0,0,0,1|1,0,0]=3 4593 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000211992 [0,1,0,0,0,1|1,0,0]=3 4594 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 7a_200011217123_200000210301 [0,1,0,0,0,1|1,0,0]=3 4595 B14R1.954 CCCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200011217123_200025704644 [0,1,0,0,0,1|1,0,0]=3 4596 B14R1.954 CCCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200011217123_200025704644 [0,1,0,0,0,1|1,0,0]=3 4597 B14R1.954 CCCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000211992 [0,1,0,0,0,1|1,1,0]=4 4598 B14R1.954 CCCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000211992 [0,1,0,0,0,1|1,1,0]=4 4599 B14R1.954 CCCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000211992 [0,1,0,0,0,1|1,1,0]=4 4600 B14R1.954 CCNC(=O)Cc1ccc(cc1)CC 11a_100015525214_200000759805 [0,1,0,0,0,1|2,0,0]=4 4601 B14R1.954 CCNC(=O)Cc1ccc(cc1)CC 240690a_100015525214_200000759805 [0,1,0,0,0,1|2,0,0]=4 4602 B14R1.954 CCNC(=O)Cc1ccc(cc1)CC 527a_100015525214_200000759805 [0,1,0,0,0,1|2,0,0]=4 4603 B14R1.954 CCNC(=O)Cc1ccc(cc1)OC 11a_100015525214_100000210706 [0,1,0,0,0,1|1,0,0]=3 4604 B14R1.954 CCNC(=O)Cc1ccc(cc1)OC 240690a_100015525214_100000210706 [0,1,0,0,0,1|1,0,0]=3 4605 B14R1.954 CCNC(=O)Cc1ccc(cc1)OC 527a_100015525214_100000210706 [0,1,0,0,0,1|1,0,0]=3 4606 B14R1.954 CCNC(=O)Cc1ccc(cc1)SC 11a_100015525214_100000756958 [0,1,0,0,0,1|1,1,0]=4 4607 B14R1.954 CCNC(=O)Cc1ccc(cc1)SC 240690a_100015525214_100000756958 [0,1,0,0,0,1|1,1,0]=4 4608 B14R1.954 CCNC(=O)Cc1ccc(cc1)SC 527a_100015525214_100000756958 [0,1,0,0,0,1|1,1,0]=4 4609 B14R1.954 CCNC(=O)Cc1ccc(cn1)OC 11a_100015525214_100000722272 [0,1,0,0,0,1|2,0,0]=4 4610 B14R1.954 CCNC(=O)Cc1ccc(cn1)OC 240690a_100015525214_100000722272 [0,1,0,0,0,1|2,0,0]=4 4611 B14R1.954 CCNC(=O)Cc1ccc(cn1)OC 527a_100015525214_100000722272 [0,1,0,0,0,1|2,0,0]=4 4612 B14R1.954 CCNC(=O)Cc1ccc(nc1)OC 11a_100015525214_100012001117 [0,1,0,0,0,1|2,0,0]=4 4613 B14R1.954 CCNC(=O)Cc1ccc(nc1)OC 240690a_100015525214_100012001117 [0,1,0,0,0,1|2,0,0]=4 4614 B14R1.954 CCNC(=O)Cc1ccc(nc1)OC 527a_100015525214_100012001117 [0,1,0,0,0,1|2,0,0]=4 4615 B14R1.954 CCNC(=O)Nc1ccc(cc1)CC 2430a_100000211069_100015525214 [0,1,0,0,0,1|2,0,0]=4 4616 B14R1.954 CCNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100015525214 [0,1,0,0,0,1|1,0,0]=3 4617 B14R1.954 CCNC(=O)Nc1ccc(cc1)SC 2430a_100000212337_100015525214 [0,1,0,0,0,1|1,1,0]=4 4618 B14R1.954 CCOC(=O)Cc1ccc(cc1)OC 34a_100011212766_200000210301 [0,1,0,0,0,1|0,0,0]=2 4619 B14R1.954 CCOC(=O)Cc1ccc(cc1)OC 7a_100011212766_200000210301 [0,1,0,0,0,1|0,0,0]=2 4620 B14R1.954 CCOC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011212766_200025704644 [0,1,0,0,0,1|0,0,0]=2 4621 B14R1.954 CCOC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011212766_200025704644 [0,1,0,0,0,1|0,0,0]=2 4622 B14R1.954 CCOC(=O)Cc1ccc(cc1)SC 62a_100000170549_200000210301 [0,1,0,0,0,1|0,1,0]=3 4623 B14R1.954 CCOC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000170549 [0,1,0,0,0,1|0,1,0]=3 4624 B14R1.954 CCOC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000170549_200025704644 [0,1,0,0,0,1|0,1,0]=3 4625 B14R1.954 CCOC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000170549 [0,1,0,0,0,1|0,1,0]=3 4626 B14R1.954 CCOC(=O)Cc1ccc(cn1)SC 62a_100012359163_200000210301 [0,1,0,0,0,1|1,1,0]=4 4627 B14R1.954 CCOC(=O)Cc1ccc(cn1)SC 62a_200000210301_100012359163 [0,1,0,0,0,1|1,1,0]=4 4628 B14R1.954 CCOC(=O)Cc1ccc(cn1)S[13CH3] 62a_100012359163_200025704644 [0,1,0,0,0,1|1,1,0]=4 4629 B14R1.954 CCOC(=O)Cc1ccc(cn1)S[13CH3] 62a_200025704644_100012359163 [0,1,0,0,0,1|1,1,0]=4 4630 B14R1.954 CCOC(=O)Cc1ccc(nc1)SC 62a_100000071673_200000210301 [0,1,0,0,0,1|1,1,0]=4 4631 B14R1.954 CCOC(=O)Cc1ccc(nc1)SC 62a_200000210301_100000071673 [0,1,0,0,0,1|1,1,0]=4 4632 B14R1.954 CCOC(=O)Cc1ccc(nc1)S[13CH3] 62a_100000071673_200025704644 [0,1,0,0,0,1|1,1,0]=4 4633 B14R1.954 CCOC(=O)Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000071673 [0,1,0,0,0,1|1,1,0]=4 4634 B14R1.954 CCOC(=O)Nc1ccc(cc1)OC 34a_100000190837_200000210301 [0,1,0,0,0,1|0,0,0]=2 4635 B14R1.954 CCOC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000190837_200025704644 [0,1,0,0,0,1|0,0,0]=2 4636 B14R1.954 CCOC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000158341 [0,1,0,0,0,1|0,1,0]=3 4637 B14R1.954 CCOC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000158341 [0,1,0,0,0,1|0,1,0]=3 4638 B14R1.954 CCc1ccc(cc1)CC(=O)CCF 1458a_200000759805_100011217306 [0,1,0,0,0,1|2,0,0]=4 4639 B14R1.954 CCc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000747183 [0,1,0,0,0,1|2,0,0]=4 4640 B14R1.954 CCc1ccc(cc1)CC(=O)CCO 1458a_200000759805_100000211926 [0,1,0,0,0,1|2,0,0]=4 4641 B14R1.954 CCc1ccc(cc1)CC(=O)COC 1458a_100000210968_100000747183 [0,1,0,0,0,1|1,0,0]=3 4642 B14R1.954 CCc1ccc(cc1)CC(=O)CSC 1458a_100000184570_100000747183 [0,1,0,0,0,1|1,1,0]=4 4643 B14R1.954 CCc1ccc(cc1)CC(=O)NNC 22a_100016993582_200000759805 [0,1,0,0,0,1|2,0,0]=4 4644 B14R1.954 CCc1ccc(cc1)NC(=O)CCO 22a_100000211069_100011216618 [0,1,0,0,0,1|2,0,0]=4 4645 B14R1.954 CCc1ccc(cc1)NC(=O)CNC 2230a_106832991635_100000183192 [0,1,0,0,0,1|2,0,0]=4 4646 B14R1.954 CCc1ccc(cc1)NC(=O)CNC 34a_100102657272_100000183192 [0,1,0,0,0,1|2,0,0]=4 4647 B14R1.954 CCc1ccc(cc1)NC(=O)CNC 7a_106832991635_100000183192 [0,1,0,0,0,1|2,0,0]=4 4648 B14R1.954 CCc1ccc(cc1)NC(=O)COC 11a_100000211069_100000210968 [0,1,0,0,0,1|1,0,0]=3 4649 B14R1.954 CCc1ccc(cc1)NC(=O)COC 1626a_100000211069_100000210968 [0,1,0,0,0,1|1,0,0]=3 4650 B14R1.954 CCc1ccc(cc1)NC(=O)COC 22a_100000211069_100000210968 [0,1,0,0,0,1|1,0,0]=3 4651 B14R1.954 CCc1ccc(cc1)NC(=O)COC 34a_100138415774_100000183192 [0,1,0,0,0,1|1,0,0]=3 4652 B14R1.954 CCc1ccc(cc1)NC(=O)COC 527a_100000211069_100000210968 [0,1,0,0,0,1|1,0,0]=3 4653 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 11a_100000211069_100000184570 [0,1,0,0,0,1|1,1,0]=4 4654 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 1626a_100000211069_100000184570 [0,1,0,0,0,1|1,1,0]=4 4655 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 22a_100000211069_100000184570 [0,1,0,0,0,1|1,1,0]=4 4656 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 527a_100000211069_100000184570 [0,1,0,0,0,1|1,1,0]=4 4657 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 62a_200000210301_100000183192 [0,1,0,0,0,1|1,1,0]=4 4658 B14R1.954 CCc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000183192 [0,1,0,0,0,1|1,1,0]=4 4659 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 2230a_100025754840_200000210301 [0,1,0,0,0,1|1,0,0]=3 4660 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 2230a_106832991635_100000182860 [0,1,0,0,0,1|1,0,0]=3 4661 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 34a_100102657272_100000182860 [0,1,0,0,0,1|1,0,0]=3 4662 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 7a_106832991635_100000182860 [0,1,0,0,0,1|1,0,0]=3 4663 B14R1.954 CNCC(=O)Nc1ccc(cc1)SC 2230a_106832991635_100000239573 [0,1,0,0,0,1|1,1,0]=4 4664 B14R1.954 CNCC(=O)Nc1ccc(cc1)SC 34a_100102657272_100000239573 [0,1,0,0,0,1|1,1,0]=4 4665 B14R1.954 CNCC(=O)Nc1ccc(cc1)SC 7a_106832991635_100000239573 [0,1,0,0,0,1|1,1,0]=4 4666 B14R1.954 CNCC(=O)Nc1ccc(nc1)OC 2230a_106832991635_100000737755 [0,1,0,0,0,1|2,0,0]=4 4667 B14R1.954 CNCC(=O)Nc1ccc(nc1)OC 34a_100102657272_100000737755 [0,1,0,0,0,1|2,0,0]=4 4668 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 2230a_106832991635_100010004613 [0,1,0,0,0,1|1,0,0]=3 4669 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 34a_100102657272_100010004613 [0,1,0,0,0,1|1,0,0]=3 4670 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 7a_106832991635_100010004613 [0,1,0,0,0,1|1,0,0]=3 4671 B14R1.954 CNNC(=O)Cc1ccc(cc1)OC 22a_100016993582_100000210706 [0,1,0,0,0,1|1,0,0]=3 4672 B14R1.954 CNNC(=O)Cc1ccc(cc1)SC 22a_100016993582_100000756958 [0,1,0,0,0,1|1,1,0]=4 4673 B14R1.954 CNNC(=O)Cc1ccc(cn1)OC 22a_100016993582_100000722272 [0,1,0,0,0,1|2,0,0]=4 4674 B14R1.954 CNNC(=O)Cc1ccc(nc1)OC 22a_100016993582_100012001117 [0,1,0,0,0,1|2,0,0]=4 4675 B14R1.954 CNc1ccc(cc1)NC(=O)COC 34a_100000736724_200000210301 [0,1,0,0,0,1|1,0,0]=3 4676 B14R1.954 COCC(=O)Cc1ccc(cc1)C#N 1458a_100000210968_100000184898 [0,1,0,0,0,1|2,0,0]=4 4677 B14R1.954 COCC(=O)Cc1ccc(cc1)C=O 1458a_100000210968_100000075337 [0,1,0,0,0,1|2,0,0]=4 4678 B14R1.954 COCC(=O)Cc1ccc(cc1)CO 1458a_100000210968_100000067286 [0,1,0,0,0,1|2,0,0]=4 4679 B14R1.954 COCC(=O)Cc1ccc(cc1)SC 1458a_100000210968_100000181263 [0,1,0,0,0,1|0,1,0]=3 4680 B14R1.954 COCC(=O)Cc1ccc(cn1)OC 1458a_100000210968_200000757186 [0,1,0,0,0,1|1,0,0]=3 4681 B14R1.954 COCC(=O)Cc1ccc(nc1)OC 1458a_100000210968_100020631284 [0,1,0,0,0,1|1,0,0]=3 4682 B14R1.954 COCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210968 [0,1,0,0,0,1|2,0,0]=4 4683 B14R1.954 COCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210968 [0,1,0,0,0,1|2,0,0]=4 4684 B14R1.954 COCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210968 [0,1,0,0,0,1|2,0,0]=4 4685 B14R1.954 COCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000736724_200025704644 [0,1,0,0,0,1|1,0,0]=3 4686 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210968 [0,1,0,0,0,1|0,0,0]=2 4687 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210968 [0,1,0,0,0,1|0,0,0]=2 4688 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210968 [0,1,0,0,0,1|0,0,0]=2 4689 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 34a_100138415774_100000182860 [0,1,0,0,0,1|0,0,0]=2 4690 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210968 [0,1,0,0,0,1|0,0,0]=2 4691 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210968 [0,1,0,0,0,1|0,1,0]=3 4692 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210968 [0,1,0,0,0,1|0,1,0]=3 4693 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 34a_100138415774_100000239573 [0,1,0,0,0,1|0,1,0]=3 4694 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210968 [0,1,0,0,0,1|0,1,0]=3 4695 B14R1.954 COCC(=O)Nc1ccc(nc1)OC 34a_100138415774_100000737755 [0,1,0,0,0,1|1,0,0]=3 4696 B14R1.954 COCC(=O)Oc1ccc(cc1)OC 34a_100138415774_100010004613 [0,1,0,0,0,1|0,0,0]=2 4697 B14R1.954 COCC(C)Nc1ccc(cc1)OC 34a_100000184247_100000765312 [0,1,0,0,0,1|1,0,1]=4 4698 B14R1.954 COCC(C)Oc1ccc(cc1)OC 34a_100000210503_100000765312 [0,1,0,0,0,1|1,0,1]=4 4699 B14R1.954 COCC(C)Sc1ccc(cc1)OC 62a_100000765312_100000171711 [0,1,0,0,0,1|1,0,1]=4 4700 B14R1.954 COCN(C)Cc1ccc(cc1)OC 2230a_100000184145_100000766300 [0,1,0,0,0,1|2,0,0]=4 4701 B14R1.954 COCN(C)Cc1ccc(cc1)OC 269982a_100000184145_100000766300 [0,1,0,0,0,1|2,0,0]=4 4702 B14R1.954 COc1ccc(cc1)CC(=O)CC#N 1458a_100000210706_100011214920 [0,1,0,0,0,1|1,0,1]=4 4703 B14R1.954 COc1ccc(cc1)CC(=O)CCF 1458a_100000210706_100011217306 [0,1,0,0,0,1|1,0,0]=3 4704 B14R1.954 COc1ccc(cc1)CC(=O)CCO 1458a_100000210706_100000211926 [0,1,0,0,0,1|1,0,0]=3 4705 B14R1.954 COc1ccc(cc1)NC(=O)C=CBr 1626a_100000184247_100016273825 [0,1,0,0,0,1|1,0,1]=4 4706 B14R1.954 COc1ccc(cc1)NC(=O)C=CCl 11a_100000184247_200016279998 [0,1,0,0,0,1|1,0,1]=4 4707 B14R1.954 COc1ccc(cc1)NC(=O)C=CCl 1626a_100000184247_200016279998 [0,1,0,0,0,1|1,0,1]=4 4708 B14R1.954 COc1ccc(cc1)NC(=O)C=CI 1626a_100000184247_100016256311 [0,1,0,0,0,1|1,0,1]=4 4709 B14R1.954 COc1ccc(cc1)NC(=O)CC#N 1626a_100000184247_100051588842 [0,1,0,0,0,1|1,0,1]=4 4710 B14R1.954 COc1ccc(cc1)NC(=O)CC#N 22a_100000184247_100051588842 [0,1,0,0,0,1|1,0,1]=4 4711 B14R1.954 COc1ccc(cc1)NC(=O)CCCl 34a_100011302330_200000210301 [0,1,0,0,0,1|1,0,0]=3 4712 B14R1.954 COc1ccc(cc1)NC(=O)CCCl 7a_100011302330_200000210301 [0,1,0,0,0,1|1,0,0]=3 4713 B14R1.954 COc1ccc(cc1)NC(=O)CCO 22a_100000184247_100011216618 [0,1,0,0,0,1|1,0,0]=3 4714 B14R1.954 COc1ccc(cc1)NC(=O)CN[13CH3] 2230a_100025754840_200025704644 [0,1,0,0,0,1|1,0,0]=3 4715 B14R1.954 COc1ccc(cc1)NC(=O)CSC 11a_100000184247_100000184570 [0,1,0,0,0,1|0,1,0]=3 4716 B14R1.954 COc1ccc(cc1)NC(=O)CSC 1626a_100000184247_100000184570 [0,1,0,0,0,1|0,1,0]=3 4717 B14R1.954 COc1ccc(cc1)NC(=O)CSC 22a_100000184247_100000184570 [0,1,0,0,0,1|0,1,0]=3 4718 B14R1.954 COc1ccc(cc1)NC(=O)CSC 527a_100000184247_100000184570 [0,1,0,0,0,1|0,1,0]=3 4719 B14R1.954 COc1ccc(cc1)NC(=O)CSC 62a_200000210301_100000182860 [0,1,0,0,0,1|0,1,0]=3 4720 B14R1.954 COc1ccc(cc1)NC(=O)CSC 62a_200000243728_200000210301 [0,1,0,0,0,1|0,1,0]=3 4721 B14R1.954 COc1ccc(cc1)NC(=O)CS[13CH3] 62a_200000243728_200025704644 [0,1,0,0,0,1|0,1,0]=3 4722 B14R1.954 COc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000182860 [0,1,0,0,0,1|0,1,0]=3 4723 B14R1.954 COc1ccc(cc1)OC(=O)CSC 62a_200000210301_100010004613 [0,1,0,0,0,1|0,1,0]=3 4724 B14R1.954 COc1ccc(cc1)OC(=O)CS[13CH3] 62a_200025704644_100010004613 [0,1,0,0,0,1|0,1,0]=3 4725 B14R1.954 COc1ccc(cn1)CC(=O)CCF 1458a_100012001117_100011217306 [0,1,0,0,0,1|2,0,0]=4 4726 B14R1.954 COc1ccc(cn1)CC(=O)CCO 1458a_100011216618_100020631284 [0,1,0,0,0,1|2,0,0]=4 4727 B14R1.954 COc1ccc(cn1)CC(=O)CCO 1458a_100012001117_100000211926 [0,1,0,0,0,1|2,0,0]=4 4728 B14R1.954 COc1ccc(cn1)CC(=O)CSC 1458a_100000184570_100020631284 [0,1,0,0,0,1|1,1,0]=4 4729 B14R1.954 COc1ccc(cn1)NC(=O)CSC 62a_200000210301_100000737755 [0,1,0,0,0,1|1,1,0]=4 4730 B14R1.954 COc1ccc(cn1)NC(=O)CS[13CH3] 62a_200025704644_100000737755 [0,1,0,0,0,1|1,1,0]=4 4731 B14R1.954 COc1ccc(nc1)CC(=O)CCF 1458a_100000722272_100011217306 [0,1,0,0,0,1|2,0,0]=4 4732 B14R1.954 COc1ccc(nc1)CC(=O)CCO 1458a_100000722272_100000211926 [0,1,0,0,0,1|2,0,0]=4 4733 B14R1.954 COc1ccc(nc1)CC(=O)CCO 1458a_100011216618_200000757186 [0,1,0,0,0,1|2,0,0]=4 4734 B14R1.954 COc1ccc(nc1)CC(=O)CSC 1458a_100000184570_200000757186 [0,1,0,0,0,1|1,1,0]=4 4735 B14R1.954 CSCC(=O)Cc1ccc(cc1)SC 1458a_100000184570_100000181263 [0,1,0,0,0,1|0,2,0]=4 4736 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000184570 [0,1,0,0,0,1|0,2,0]=4 4737 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000184570 [0,1,0,0,0,1|0,2,0]=4 4738 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000184570 [0,1,0,0,0,1|0,2,0]=4 4739 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000239573 [0,1,0,0,0,1|0,2,0]=4 4740 B14R1.954 CSc1ccc(cc1)CC(=O)CCF 1458a_100000756958_100011217306 [0,1,0,0,0,1|1,1,0]=4 4741 B14R1.954 CSc1ccc(cc1)CC(=O)CCO 1458a_100000756958_100000211926 [0,1,0,0,0,1|1,1,0]=4 4742 B14R1.954 CSc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000181263 [0,1,0,0,0,1|1,1,0]=4 4743 B14R1.954 CSc1ccc(cc1)NC(=O)CCN 62a_200000210301_100000743120 [0,1,0,0,0,1|1,1,0]=4 4744 B14R1.954 CSc1ccc(cc1)NC(=O)CCO 22a_100000212337_100011216618 [0,1,0,0,0,1|1,1,0]=4 4745 B14R1.954 CSc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000239573 [0,1,0,0,0,1|0,2,0]=4 4746 B14R1.954 [13CH3]Oc1ccc(cc1)NC(=O)CCCl 34a_100011302330_200025704644 [0,1,0,0,0,1|1,0,0]=3 4747 B14R1.954 [13CH3]Oc1ccc(cc1)NC(=O)CCCl 7a_100011302330_200025704644 [0,1,0,0,0,1|1,0,0]=3 4748 B14R1.954 [13CH3]Sc1ccc(cc1)NC(=O)CCN 62a_200025704644_100000743120 [0,1,0,0,0,1|1,1,0]=4 4749 B14R1.2879 C=C(C)c1ccc(cc1)CC(=O)NC 271570a_100000694244_100000155101 [0,1,0,0,0,1|2,0,0]=4 4750 B14R1.2879 C=C(C)c1ccc(cc1)CC(=O)OC 271570a_100000694244_100000149743 [0,1,0,0,0,1|1,0,0]=3 4751 B14R1.2879 C=C(C)c1ccc(cc1)NC(=O)OC 271570a_100000694244_100000181880 [0,1,0,0,0,1|1,0,0]=3 4752 B14R1.2879 C=C(C)c1ccc(cc1)OC(=O)CC 271570a_100000694244_200009811598 [0,1,0,0,0,1|2,0,0]=4 4753 B14R1.2879 C=C(C)c1ccc(cn1)CC(=O)OC 271570a_100000694244_100000071674 [0,1,0,0,0,1|2,0,0]=4 4754 B14R1.2879 C=C(C)c1ccc(nc1)CC(=O)OC 271570a_100000694244_100012362609 [0,1,0,0,0,1|2,0,0]=4 4755 B14R1.2879 C=C(C)c1ccc(nc1)NC(=O)OC 271570a_100000694244_100000188976 [0,1,0,0,0,1|2,0,0]=4 4756 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000210414_100000756337 [0,1,0,0,0,1|2,0,0]=4 4757 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(C)C 1458a_100000210414_100000181262 [0,1,0,0,0,1|2,0,0]=4 4758 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_100000210202 [0,1,0,0,0,1|2,0,0]=4 4759 B14R1.2879 CCC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_100000210202 [0,1,0,0,0,1|2,0,0]=4 4760 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)C 1458a_100000194459_200000210301 [0,1,0,0,0,1|2,0,0]=4 4761 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000194459_200025704644 [0,1,0,0,0,1|2,0,0]=4 4762 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100000210414 [0,1,0,0,0,1|2,0,0]=4 4763 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100000210414 [0,1,0,0,0,1|2,0,0]=4 4764 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000210414 [0,1,0,0,0,1|2,0,0]=4 4765 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100000210414 [0,1,0,0,0,1|2,0,0]=4 4766 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000210414 [0,1,0,0,0,1|2,0,0]=4 4767 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100000210414 [0,1,0,0,0,1|2,0,0]=4 4768 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 11a_100016997997_100000210414 [0,1,0,0,0,1|2,0,0]=4 4769 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100000210414 [0,1,0,0,0,1|2,0,0]=4 4770 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000210414 [0,1,0,0,0,1|2,0,0]=4 4771 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 527a_100016997997_100000210414 [0,1,0,0,0,1|2,0,0]=4 4772 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 11a_106832991635_100000689720 [0,1,0,0,0,1|2,0,0]=4 4773 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 1626a_100102657272_100000689720 [0,1,0,0,0,1|2,0,0]=4 4774 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 240690a_100102657272_100000689720 [0,1,0,0,0,1|2,0,0]=4 4775 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 527a_100102657272_100000689720 [0,1,0,0,0,1|2,0,0]=4 4776 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 11a_106832991635_100011218386 [0,1,0,0,0,1|2,0,0]=4 4777 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 1626a_100102657272_100011218386 [0,1,0,0,0,1|2,0,0]=4 4778 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 240690a_100102657272_100011218386 [0,1,0,0,0,1|2,0,0]=4 4779 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 527a_100102657272_100011218386 [0,1,0,0,0,1|2,0,0]=4 4780 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)C 2430a_100000210773_100102657272 [0,1,0,0,0,1|2,0,0]=4 4781 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)O 2430a_100011216399_100102657272 [0,1,0,0,0,1|2,0,0]=4 4782 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)O 512a_106832991638_100011216399 [0,1,0,0,0,1|2,0,0]=4 4783 B14R1.2879 CNC(=O)Nc1ccc(cc1)N(C)C 2430a_100016997997_100102657272 [0,1,0,0,0,1|2,0,0]=4 4784 B14R1.2879 COC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000111013_200000210301 [0,1,0,0,0,1|1,0,0]=3 4785 B14R1.2879 COC(=O)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000111013_200025704644 [0,1,0,0,0,1|1,0,0]=3 4786 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000211873_200011397701 [0,1,0,0,0,1|1,0,1]=4 4787 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)C)OC 1458a_100000211873_200011290836 [0,1,0,0,0,1|1,0,1]=4 4788 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000211873_100000693707 [0,1,0,0,0,1|1,0,1]=4 4789 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)F)OC 1458a_100000211873_100000189595 [0,1,0,0,0,1|1,0,1]=4 4790 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000185746_200011397701 [0,1,0,0,0,1|1,0,1]=4 4791 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)C)OC 1458a_100000185746_200011290836 [0,1,0,0,0,1|1,0,1]=4 4792 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000185746_100000693707 [0,1,0,0,0,1|1,0,1]=4 4793 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)F)OC 1458a_100000185746_100000189595 [0,1,0,0,0,1|1,0,1]=4 4794 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Br)OC 1626a_100000187427_100000185746 [0,1,0,0,0,1|1,0,1]=4 4795 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Br)OC 22a_100000187427_100000185746 [0,1,0,0,0,1|1,0,1]=4 4796 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)C)OC 1626a_100000743268_100000185746 [0,1,0,0,0,1|1,0,1]=4 4797 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)C)OC 22a_100000743268_100000185746 [0,1,0,0,0,1|1,0,1]=4 4798 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)OC 1626a_100000211044_100000185746 [0,1,0,0,0,1|1,0,1]=4 4799 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)OC 22a_100000211044_100000185746 [0,1,0,0,0,1|1,0,1]=4 4800 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)OC 1626a_100000740183_100000185746 [0,1,0,0,0,1|1,0,1]=4 4801 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)OC 22a_100000740183_100000185746 [0,1,0,0,0,1|1,0,1]=4 4802 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)I)OC 1626a_100011356947_100000185746 [0,1,0,0,0,1|1,0,1]=4 4803 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)I)OC 22a_100011356947_100000185746 [0,1,0,0,0,1|1,0,1]=4 4804 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000185746 [0,1,0,0,0,1|1,0,1]=4 4805 B14R1.3276 C=Cc1ccc(cc1F)CC(=O)OC 271570a_100011290941_100010371902 [0,1,0,0,0,1|1,0,1]=4 4806 B14R1.3276 C=Cc1ccc(cc1N)NC(=O)OC 271570a_100011290941_100012639261 [0,1,0,0,0,1|1,0,1]=4 4807 B14R1.3276 CCC(=O)Cc1cc(=O)c(co1)OC 1458a_100000210414_100000081511 [0,1,0,0,0,1|2,0,0]=4 4808 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000210414_200011397701 [0,1,0,0,0,1|1,0,0]=3 4809 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Br)OC 1458a_100011202338_100000210202 [0,1,0,0,0,1|1,0,0]=3 4810 B14R1.3276 CCC(=O)Cc1ccc(c(c1)C)OC 1458a_100000210414_200011290836 [0,1,0,0,0,1|1,0,0]=3 4811 B14R1.3276 CCC(=O)Cc1ccc(c(c1)C)OC 1458a_100011356478_100000210202 [0,1,0,0,0,1|1,0,0]=3 4812 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000210414_100000693707 [0,1,0,0,0,1|1,0,0]=3 4813 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100012026953_100000210202 [0,1,0,0,0,1|1,0,0]=3 4814 B14R1.3276 CCC(=O)Cc1ccc(c(c1)F)OC 1458a_100000204603_100000210202 [0,1,0,0,0,1|1,0,0]=3 4815 B14R1.3276 CCC(=O)Cc1ccc(c(c1)F)OC 1458a_100000210414_100000189595 [0,1,0,0,0,1|1,0,0]=3 4816 B14R1.3276 CCC(=O)Cc1ccc(c(c1)O)OC 1458a_100000049095_100000210202 [0,1,0,0,0,1|1,0,0]=3 4817 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 11a_100000187427_100000210414 [0,1,0,0,0,1|1,0,0]=3 4818 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 1626a_100000187427_100000210414 [0,1,0,0,0,1|1,0,0]=3 4819 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 22a_100000187427_100000210414 [0,1,0,0,0,1|1,0,0]=3 4820 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 527a_100000187427_100000210414 [0,1,0,0,0,1|1,0,0]=3 4821 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)NC 34a_100011203062_200000210301 [0,1,0,0,0,1|2,0,0]=4 4822 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)NC 7a_100011203062_200000210301 [0,1,0,0,0,1|2,0,0]=4 4823 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)N[13CH3] 34a_100011203062_200025704644 [0,1,0,0,0,1|2,0,0]=4 4824 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)N[13CH3] 7a_100011203062_200025704644 [0,1,0,0,0,1|2,0,0]=4 4825 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 11a_100000743268_100000210414 [0,1,0,0,0,1|1,0,0]=3 4826 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 1626a_100000743268_100000210414 [0,1,0,0,0,1|1,0,0]=3 4827 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 22a_100000743268_100000210414 [0,1,0,0,0,1|1,0,0]=3 4828 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 527a_100000743268_100000210414 [0,1,0,0,0,1|1,0,0]=3 4829 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 11a_100000766362_100000210414 [0,1,0,0,0,1|2,0,0]=4 4830 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 1626a_100000766362_100000210414 [0,1,0,0,0,1|2,0,0]=4 4831 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 22a_100000766362_100000210414 [0,1,0,0,0,1|2,0,0]=4 4832 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 527a_100000766362_100000210414 [0,1,0,0,0,1|2,0,0]=4 4833 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 11a_100000211044_100000210414 [0,1,0,0,0,1|1,0,0]=3 4834 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 1626a_100000211044_100000210414 [0,1,0,0,0,1|1,0,0]=3 4835 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 22a_100000211044_100000210414 [0,1,0,0,0,1|1,0,0]=3 4836 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 527a_100000211044_100000210414 [0,1,0,0,0,1|1,0,0]=3 4837 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 11a_100000740183_100000210414 [0,1,0,0,0,1|1,0,0]=3 4838 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 1626a_100000740183_100000210414 [0,1,0,0,0,1|1,0,0]=3 4839 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 22a_100000740183_100000210414 [0,1,0,0,0,1|1,0,0]=3 4840 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 527a_100000740183_100000210414 [0,1,0,0,0,1|1,0,0]=3 4841 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 11a_100000762756_100000210414 [0,1,0,0,0,1|1,1,0]=4 4842 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 1626a_100000762756_100000210414 [0,1,0,0,0,1|1,1,0]=4 4843 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 22a_100000762756_100000210414 [0,1,0,0,0,1|1,1,0]=4 4844 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 527a_100000762756_100000210414 [0,1,0,0,0,1|1,1,0]=4 4845 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 11a_100011356947_100000210414 [0,1,0,0,0,1|1,0,0]=3 4846 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 1626a_100011356947_100000210414 [0,1,0,0,0,1|1,0,0]=3 4847 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 22a_100011356947_100000210414 [0,1,0,0,0,1|1,0,0]=3 4848 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 527a_100011356947_100000210414 [0,1,0,0,0,1|1,0,0]=3 4849 B14R1.3276 CCC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000210414 [0,1,0,0,0,1|1,0,0]=3 4850 B14R1.3276 CCC(=O)Nc1ccc(c(c1)O)OC 527a_100000211920_100000210414 [0,1,0,0,0,1|1,0,0]=3 4851 B14R1.3276 CCc1ccc(cc1Cl)NC(=O)NC 2430a_100000766362_100102657272 [0,1,0,0,0,1|2,0,0]=4 4852 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 11a_106832991635_100011202338 [0,1,0,0,0,1|1,0,0]=3 4853 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 1626a_100102657272_100011202338 [0,1,0,0,0,1|1,0,0]=3 4854 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 240690a_100102657272_100011202338 [0,1,0,0,0,1|1,0,0]=3 4855 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 527a_100102657272_100011202338 [0,1,0,0,0,1|1,0,0]=3 4856 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 11a_106832991635_100011356478 [0,1,0,0,0,1|1,0,0]=3 4857 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 1626a_100102657272_100011356478 [0,1,0,0,0,1|1,0,0]=3 4858 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 240690a_100102657272_100011356478 [0,1,0,0,0,1|1,0,0]=3 4859 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 527a_100102657272_100011356478 [0,1,0,0,0,1|1,0,0]=3 4860 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 11a_106832991635_100012026953 [0,1,0,0,0,1|1,0,0]=3 4861 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 1626a_100102657272_100012026953 [0,1,0,0,0,1|1,0,0]=3 4862 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 240690a_100102657272_100012026953 [0,1,0,0,0,1|1,0,0]=3 4863 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 527a_100102657272_100012026953 [0,1,0,0,0,1|1,0,0]=3 4864 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 11a_106832991635_100000204603 [0,1,0,0,0,1|1,0,0]=3 4865 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 1626a_100102657272_100000204603 [0,1,0,0,0,1|1,0,0]=3 4866 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 240690a_100102657272_100000204603 [0,1,0,0,0,1|1,0,0]=3 4867 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 527a_100102657272_100000204603 [0,1,0,0,0,1|1,0,0]=3 4868 B14R1.3276 CNC(=O)Cc1ccc(c(c1)O)OC 240690a_100102657272_100000049095 [0,1,0,0,0,1|1,0,0]=3 4869 B14R1.3276 CNC(=O)Cc1ccc(c(c1)O)OC 527a_100102657272_100000049095 [0,1,0,0,0,1|1,0,0]=3 4870 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Br)OC 2430a_100000187427_100102657272 [0,1,0,0,0,1|1,0,0]=3 4871 B14R1.3276 CNC(=O)Nc1ccc(c(c1)C)OC 2430a_100000743268_100102657272 [0,1,0,0,0,1|1,0,0]=3 4872 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Cl)OC 2430a_100000211044_100102657272 [0,1,0,0,0,1|1,0,0]=3 4873 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)OC 2430a_100000740183_100102657272 [0,1,0,0,0,1|1,0,0]=3 4874 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)SC 2430a_100000762756_100102657272 [0,1,0,0,0,1|1,1,0]=4 4875 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)SC 512a_100000762756_100102657272 [0,1,0,0,0,1|1,1,0]=4 4876 B14R1.3276 CNC(=O)Nc1ccc(c(c1)I)OC 2430a_100011356947_100102657272 [0,1,0,0,0,1|1,0,0]=3 4877 B14R1.3276 CNC(=O)Nc1ccc(c(c1)O)OC 2430a_100000211920_100102657272 [0,1,0,0,0,1|1,0,0]=3 4878 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)OC 34a_100010222482_200000210301 [0,1,0,0,0,1|0,0,0]=2 4879 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)OC 7a_100010222482_200000210301 [0,1,0,0,0,1|0,0,0]=2 4880 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010222482_200025704644 [0,1,0,0,0,1|0,0,0]=2 4881 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010222482_200025704644 [0,1,0,0,0,1|0,0,0]=2 4882 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)OC 34a_100000087474_200000210301 [0,1,0,0,0,1|0,0,0]=2 4883 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)OC 7a_100000087474_200000210301 [0,1,0,0,0,1|0,0,0]=2 4884 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_100000087474_200025704644 [0,1,0,0,0,1|0,0,0]=2 4885 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_100000087474_200025704644 [0,1,0,0,0,1|0,0,0]=2 4886 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)OC 34a_100009994800_200000210301 [0,1,0,0,0,1|0,0,0]=2 4887 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)OC 7a_100009994800_200000210301 [0,1,0,0,0,1|0,0,0]=2 4888 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_100009994800_200025704644 [0,1,0,0,0,1|0,0,0]=2 4889 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_100009994800_200025704644 [0,1,0,0,0,1|0,0,0]=2 4890 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)OC 34a_100000699185_200000210301 [0,1,0,0,0,1|0,0,0]=2 4891 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)OC 7a_100000699185_200000210301 [0,1,0,0,0,1|0,0,0]=2 4892 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)O[13CH3] 34a_100000699185_200025704644 [0,1,0,0,0,1|0,0,0]=2 4893 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)O[13CH3] 7a_100000699185_200025704644 [0,1,0,0,0,1|0,0,0]=2 4894 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)SC 62a_100010371902_200000210301 [0,1,0,0,0,1|0,1,0]=3 4895 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)SC 62a_200000210301_100010371902 [0,1,0,0,0,1|0,1,0]=3 4896 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)S[13CH3] 62a_100010371902_200025704644 [0,1,0,0,0,1|0,1,0]=3 4897 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010371902 [0,1,0,0,0,1|0,1,0]=3 4898 B14R1.3276 COC(=O)Cc1ccc(c(c1)N)OC 34a_100000067991_200000210301 [0,1,0,0,0,1|0,0,0]=2 4899 B14R1.3276 COC(=O)Cc1ccc(c(c1)N)O[13CH3] 34a_100000067991_200025704644 [0,1,0,0,0,1|0,0,0]=2 4900 B14R1.3276 COC(=O)Cc1ccc(c(c1)O)OC 271570a_203496583355_200012357789 [0,1,0,0,0,1|0,0,0]=2 4901 B14R1.3276 COC(=O)Nc1ccc(c(c1)N)SC 62a_200000210301_100012639261 [0,1,0,0,0,1|0,1,0]=3 4902 B14R1.3276 COC(=O)Nc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100012639261 [0,1,0,0,0,1|0,1,0]=3 4903 B14R1.3276 COc1ccc(cc1Br)CC(=O)CF 1458a_100011202338_100015361967 [0,1,0,0,0,1|2,0,0]=4 4904 B14R1.3276 COc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_200011397701 [0,1,0,0,0,1|2,0,0]=4 4905 B14R1.3276 COc1ccc(cc1Br)NC(=O)CO 22a_100000187427_100000210174 [0,1,0,0,0,1|2,0,0]=4 4906 B14R1.3276 COc1ccc(cc1Br)NC(=O)CO 527a_100000187427_100000210174 [0,1,0,0,0,1|2,0,0]=4 4907 B14R1.3276 COc1ccc(cc1Br)SC(C)OC 62a_100009879195_100011249507 [0,1,0,0,0,1|1,0,1]=4 4908 B14R1.3276 COc1ccc(cc1Br)SC(C)OC 62a_100011249507_100009879195 [0,1,0,0,0,1|1,0,1]=4 4909 B14R1.3276 COc1ccc(cc1C)CC(=O)CF 1458a_100011356478_100015361967 [0,1,0,0,0,1|2,0,0]=4 4910 B14R1.3276 COc1ccc(cc1C)CC(=O)CO 1458a_100000210174_200011290836 [0,1,0,0,0,1|2,0,0]=4 4911 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 22a_100000743268_100000210174 [0,1,0,0,0,1|2,0,0]=4 4912 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 527a_100000743268_100000210174 [0,1,0,0,0,1|2,0,0]=4 4913 B14R1.3276 COc1ccc(cc1C)SC(C)OC 62a_100009879195_100011219705 [0,1,0,0,0,1|1,0,1]=4 4914 B14R1.3276 COc1ccc(cc1C)SC(C)OC 62a_100011219705_100009879195 [0,1,0,0,0,1|1,0,1]=4 4915 B14R1.3276 COc1ccc(cc1Cl)CC(=O)CF 1458a_100012026953_100015361967 [0,1,0,0,0,1|2,0,0]=4 4916 B14R1.3276 COc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100000693707 [0,1,0,0,0,1|2,0,0]=4 4917 B14R1.3276 COc1ccc(cc1Cl)NC(=O)CO 22a_100000211044_100000210174 [0,1,0,0,0,1|2,0,0]=4 4918 B14R1.3276 COc1ccc(cc1Cl)NC(=O)CO 527a_100000211044_100000210174 [0,1,0,0,0,1|2,0,0]=4 4919 B14R1.3276 COc1ccc(cc1Cl)SC(C)OC 62a_100009879195_100012355395 [0,1,0,0,0,1|1,0,1]=4 4920 B14R1.3276 COc1ccc(cc1Cl)SC(C)OC 62a_100012355395_100009879195 [0,1,0,0,0,1|1,0,1]=4 4921 B14R1.3276 COc1ccc(cc1F)CC(=O)CF 1458a_100000204603_100015361967 [0,1,0,0,0,1|2,0,0]=4 4922 B14R1.3276 COc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100000189595 [0,1,0,0,0,1|2,0,0]=4 4923 B14R1.3276 COc1ccc(cc1F)NC(=O)CO 22a_100000740183_100000210174 [0,1,0,0,0,1|2,0,0]=4 4924 B14R1.3276 COc1ccc(cc1F)NC(=O)CO 527a_100000740183_100000210174 [0,1,0,0,0,1|2,0,0]=4 4925 B14R1.3276 COc1ccc(cc1F)SC(C)OC 62a_100000171752_100009879195 [0,1,0,0,0,1|1,0,1]=4 4926 B14R1.3276 COc1ccc(cc1F)SC(C)OC 62a_100009879195_100000171752 [0,1,0,0,0,1|1,0,1]=4 4927 B14R1.3276 COc1ccc(cc1I)NC(=O)CO 22a_100011356947_100000210174 [0,1,0,0,0,1|2,0,0]=4 4928 B14R1.3276 COc1ccc(cc1I)NC(=O)CO 527a_100011356947_100000210174 [0,1,0,0,0,1|2,0,0]=4 4929 B14R1.3276 COc1ccc(cc1N)SC(C)OC 62a_100009879195_100011249504 [0,1,0,0,0,1|1,0,1]=4 4930 B14R1.3276 COc1ccc(cc1N)SC(C)OC 62a_100011249504_100009879195 [0,1,0,0,0,1|1,0,1]=4 4931 B14R1.3276 COc1ccc(cc1O)CC(=O)CF 1458a_100000049095_100015361967 [0,1,0,0,0,1|2,0,0]=4 4932 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 22a_100000211920_100000210174 [0,1,0,0,0,1|2,0,0]=4 4933 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 527a_100000211920_100000210174 [0,1,0,0,0,1|2,0,0]=4 4934 B14R1.3276 COc1ccc(cc1O)SC(C)OC 62a_100009879195_100009816560 [0,1,0,0,0,1|1,0,1]=4 4935 B14R1.3714 C#CC(=O)Cc1ccc(cc1Br)OC 1458a_100000211873_100011982828 [0,1,0,0,0,1|1,0,1]=4 4936 B14R1.3714 C#CC(=O)Cc1ccc(cc1Cl)OC 1458a_100000211873_200011830453 [0,1,0,0,0,1|1,0,1]=4 4937 B14R1.3714 C#CC(=O)Cc1ccc(cc1F)OC 1458a_100000211873_100011260761 [0,1,0,0,0,1|1,0,1]=4 4938 B14R1.3714 C=CC(=O)Cc1ccc(cc1Br)OC 1458a_100000185746_100011982828 [0,1,0,0,0,1|1,0,1]=4 4939 B14R1.3714 C=CC(=O)Cc1ccc(cc1Cl)OC 1458a_100000185746_200011830453 [0,1,0,0,0,1|1,0,1]=4 4940 B14R1.3714 C=CC(=O)Cc1ccc(cc1F)OC 1458a_100000185746_100011260761 [0,1,0,0,0,1|1,0,1]=4 4941 B14R1.3714 C=CC(=O)Nc1ccc(cc1Br)OC 1626a_100015195136_100000185746 [0,1,0,0,0,1|1,0,1]=4 4942 B14R1.3714 C=CC(=O)Nc1ccc(cc1Br)OC 22a_100015195136_100000185746 [0,1,0,0,0,1|1,0,1]=4 4943 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)OC 1626a_100000750285_100000185746 [0,1,0,0,0,1|1,0,1]=4 4944 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)OC 22a_100000750285_100000185746 [0,1,0,0,0,1|1,0,1]=4 4945 B14R1.3714 C=CC(=O)Nc1ccc(cc1Cl)OC 1626a_100000747055_100000185746 [0,1,0,0,0,1|1,0,1]=4 4946 B14R1.3714 C=CC(=O)Nc1ccc(cc1Cl)OC 22a_100000747055_100000185746 [0,1,0,0,0,1|1,0,1]=4 4947 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)OC 1626a_100011299463_100000185746 [0,1,0,0,0,1|1,0,1]=4 4948 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)OC 22a_100011299463_100000185746 [0,1,0,0,0,1|1,0,1]=4 4949 B14R1.3714 C=CC(=O)Nc1ccc(cc1I)OC 1626a_100000049804_100000185746 [0,1,0,0,0,1|1,0,1]=4 4950 B14R1.3714 C=CC(=O)Nc1ccc(cc1I)OC 22a_100000049804_100000185746 [0,1,0,0,0,1|1,0,1]=4 4951 B14R1.3714 C=CC(=O)Nc1ccc(cc1O)OC 22a_100016989039_100000185746 [0,1,0,0,0,1|1,0,1]=4 4952 B14R1.3714 C=Cc1ccc(c(c1)F)CC(=O)OC 271570a_100011290941_100013023952 [0,1,0,0,0,1|1,0,1]=4 4953 B14R1.3714 C=Cc1ccc(c(c1)O)CC(=O)OC 271570a_100011290941_100010150832 [0,1,0,0,0,1|1,0,1]=4 4954 B14R1.3714 CCC(=O)Cc1ccc(cc1Br)OC 1458a_100000210414_100011982828 [0,1,0,0,0,1|1,0,0]=3 4955 B14R1.3714 CCC(=O)Cc1ccc(cc1Br)OC 1458a_100000238646_100000210202 [0,1,0,0,0,1|1,0,0]=3 4956 B14R1.3714 CCC(=O)Cc1ccc(cc1C)OC 1458a_100011996676_100000210202 [0,1,0,0,0,1|1,0,0]=3 4957 B14R1.3714 CCC(=O)Cc1ccc(cc1Cl)OC 1458a_100000210414_200011830453 [0,1,0,0,0,1|1,0,0]=3 4958 B14R1.3714 CCC(=O)Cc1ccc(cc1Cl)OC 1458a_100000688043_100000210202 [0,1,0,0,0,1|1,0,0]=3 4959 B14R1.3714 CCC(=O)Cc1ccc(cc1F)OC 1458a_100000210414_100011260761 [0,1,0,0,0,1|1,0,0]=3 4960 B14R1.3714 CCC(=O)Cc1ccc(cc1F)OC 1458a_100000709196_100000210202 [0,1,0,0,0,1|1,0,0]=3 4961 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)CC 11a_100012339725_100000210414 [0,1,0,0,0,1|2,0,0]=4 4962 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)CC 1626a_100012339725_100000210414 [0,1,0,0,0,1|2,0,0]=4 4963 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)CC 527a_100012339725_100000210414 [0,1,0,0,0,1|2,0,0]=4 4964 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 11a_100015195136_100000210414 [0,1,0,0,0,1|1,0,0]=3 4965 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 1626a_100015195136_100000210414 [0,1,0,0,0,1|1,0,0]=3 4966 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 22a_100015195136_100000210414 [0,1,0,0,0,1|1,0,0]=3 4967 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 527a_100015195136_100000210414 [0,1,0,0,0,1|1,0,0]=3 4968 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 11a_100011226020_100000210414 [0,1,0,0,0,1|2,0,0]=4 4969 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 1626a_100011226020_100000210414 [0,1,0,0,0,1|2,0,0]=4 4970 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 22a_100011226020_100000210414 [0,1,0,0,0,1|2,0,0]=4 4971 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 527a_100011226020_100000210414 [0,1,0,0,0,1|2,0,0]=4 4972 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 11a_100000750285_100000210414 [0,1,0,0,0,1|1,0,0]=3 4973 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 1626a_100000750285_100000210414 [0,1,0,0,0,1|1,0,0]=3 4974 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 22a_100000750285_100000210414 [0,1,0,0,0,1|1,0,0]=3 4975 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 527a_100000750285_100000210414 [0,1,0,0,0,1|1,0,0]=3 4976 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 11a_100000747055_100000210414 [0,1,0,0,0,1|1,0,0]=3 4977 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 1626a_100000747055_100000210414 [0,1,0,0,0,1|1,0,0]=3 4978 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 22a_100000747055_100000210414 [0,1,0,0,0,1|1,0,0]=3 4979 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 527a_100000747055_100000210414 [0,1,0,0,0,1|1,0,0]=3 4980 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 11a_100016177294_100000210414 [0,1,0,0,0,1|2,0,0]=4 4981 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 1626a_100016177294_100000210414 [0,1,0,0,0,1|2,0,0]=4 4982 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 22a_100016177294_100000210414 [0,1,0,0,0,1|2,0,0]=4 4983 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 527a_100016177294_100000210414 [0,1,0,0,0,1|2,0,0]=4 4984 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 11a_100011299463_100000210414 [0,1,0,0,0,1|1,0,0]=3 4985 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 1626a_100011299463_100000210414 [0,1,0,0,0,1|1,0,0]=3 4986 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 22a_100011299463_100000210414 [0,1,0,0,0,1|1,0,0]=3 4987 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 527a_100011299463_100000210414 [0,1,0,0,0,1|1,0,0]=3 4988 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 11a_100012056844_100000210414 [0,1,0,0,0,1|1,1,0]=4 4989 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 1626a_100012056844_100000210414 [0,1,0,0,0,1|1,1,0]=4 4990 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 22a_100012056844_100000210414 [0,1,0,0,0,1|1,1,0]=4 4991 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 527a_100012056844_100000210414 [0,1,0,0,0,1|1,1,0]=4 4992 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 11a_100000049804_100000210414 [0,1,0,0,0,1|1,0,0]=3 4993 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 1626a_100000049804_100000210414 [0,1,0,0,0,1|1,0,0]=3 4994 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 22a_100000049804_100000210414 [0,1,0,0,0,1|1,0,0]=3 4995 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 527a_100000049804_100000210414 [0,1,0,0,0,1|1,0,0]=3 4996 B14R1.3714 CCC(=O)Nc1ccc(cc1O)CC 22a_100000124328_100000210414 [0,1,0,0,0,1|2,0,0]=4 4997 B14R1.3714 CCC(=O)Nc1ccc(cc1O)CC 527a_100000124328_100000210414 [0,1,0,0,0,1|2,0,0]=4 4998 B14R1.3714 CCC(=O)Nc1ccc(cc1O)OC 22a_100016989039_100000210414 [0,1,0,0,0,1|1,0,0]=3 4999 B14R1.3714 CCC(=O)Nc1ccc(cc1O)OC 527a_100016989039_100000210414 [0,1,0,0,0,1|1,0,0]=3 5000 B14R1.3714 CCc1ccc(c(c1)Br)NC(=O)NC 2430a_100012339725_100102657272 [0,1,0,0,0,1|2,0,0]=4 5001 B14R1.3714 CCc1ccc(c(c1)C)NC(=O)NC 2430a_100011226020_100102657272 [0,1,0,0,0,1|2,0,0]=4 5002 B14R1.3714 CCc1ccc(c(c1)C)NC(=O)NC 512a_106832991638_100011226020 [0,1,0,0,0,1|2,0,0]=4 5003 B14R1.3714 CCc1ccc(c(c1)F)NC(=O)NC 2430a_100016177294_100102657272 [0,1,0,0,0,1|2,0,0]=4 5004 B14R1.3714 CCc1ccc(c(c1)O)NC(=O)NC 2430a_100000124328_100102657272 [0,1,0,0,0,1|2,0,0]=4 5005 B14R1.3714 CNC(=O)Cc1ccc(cc1Br)OC 11a_106832991635_100000238646 [0,1,0,0,0,1|1,0,0]=3 5006 B14R1.3714 CNC(=O)Cc1ccc(cc1Br)OC 240690a_100102657272_100000238646 [0,1,0,0,0,1|1,0,0]=3 5007 B14R1.3714 CNC(=O)Cc1ccc(cc1Br)OC 527a_100102657272_100000238646 [0,1,0,0,0,1|1,0,0]=3 5008 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 11a_106832991635_100011996676 [0,1,0,0,0,1|1,0,0]=3 5009 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 1626a_100102657272_100011996676 [0,1,0,0,0,1|1,0,0]=3 5010 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 240690a_100102657272_100011996676 [0,1,0,0,0,1|1,0,0]=3 5011 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 527a_100102657272_100011996676 [0,1,0,0,0,1|1,0,0]=3 5012 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 11a_106832991635_100000688043 [0,1,0,0,0,1|1,0,0]=3 5013 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 1626a_100102657272_100000688043 [0,1,0,0,0,1|1,0,0]=3 5014 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 240690a_100102657272_100000688043 [0,1,0,0,0,1|1,0,0]=3 5015 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 527a_100102657272_100000688043 [0,1,0,0,0,1|1,0,0]=3 5016 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 11a_106832991635_100000709196 [0,1,0,0,0,1|1,0,0]=3 5017 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 1626a_100102657272_100000709196 [0,1,0,0,0,1|1,0,0]=3 5018 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 240690a_100102657272_100000709196 [0,1,0,0,0,1|1,0,0]=3 5019 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 527a_100102657272_100000709196 [0,1,0,0,0,1|1,0,0]=3 5020 B14R1.3714 CNC(=O)Nc1ccc(cc1Br)OC 2430a_100015195136_100102657272 [0,1,0,0,0,1|1,0,0]=3 5021 B14R1.3714 CNC(=O)Nc1ccc(cc1C)OC 2430a_100000750285_100102657272 [0,1,0,0,0,1|1,0,0]=3 5022 B14R1.3714 CNC(=O)Nc1ccc(cc1Cl)OC 2430a_100000747055_100102657272 [0,1,0,0,0,1|1,0,0]=3 5023 B14R1.3714 CNC(=O)Nc1ccc(cc1F)OC 2430a_100011299463_100102657272 [0,1,0,0,0,1|1,0,0]=3 5024 B14R1.3714 CNC(=O)Nc1ccc(cc1F)SC 2430a_100012056844_100102657272 [0,1,0,0,0,1|1,1,0]=4 5025 B14R1.3714 CNC(=O)Nc1ccc(cc1I)OC 2430a_100000049804_100102657272 [0,1,0,0,0,1|1,0,0]=3 5026 B14R1.3714 CNC(=O)Nc1ccc(cc1O)OC 2430a_100016989039_100102657272 [0,1,0,0,0,1|1,0,0]=3 5027 B14R1.3714 COC(=O)Cc1ccc(cc1F)OC 34a_100009869613_200000210301 [0,1,0,0,0,1|0,0,0]=2 5028 B14R1.3714 COC(=O)Cc1ccc(cc1F)OC 7a_100009869613_200000210301 [0,1,0,0,0,1|0,0,0]=2 5029 B14R1.3714 COC(=O)Cc1ccc(cc1F)O[13CH3] 34a_100009869613_200025704644 [0,1,0,0,0,1|0,0,0]=2 5030 B14R1.3714 COC(=O)Cc1ccc(cc1F)O[13CH3] 7a_100009869613_200025704644 [0,1,0,0,0,1|0,0,0]=2 5031 B14R1.3714 COC(=O)Cc1ccc(cc1F)SC 62a_100013023952_200000210301 [0,1,0,0,0,1|0,1,0]=3 5032 B14R1.3714 COC(=O)Cc1ccc(cc1F)SC 62a_200000210301_100013023952 [0,1,0,0,0,1|0,1,0]=3 5033 B14R1.3714 COC(=O)Cc1ccc(cc1F)S[13CH3] 62a_100013023952_200025704644 [0,1,0,0,0,1|0,1,0]=3 5034 B14R1.3714 COC(=O)Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100013023952 [0,1,0,0,0,1|0,1,0]=3 5035 B14R1.3714 COC(=O)Cc1ccc(cc1O)C#N 271570a_203496583355_200010150797 [0,1,0,0,0,1|2,0,0]=4 5036 B14R1.3714 COC(=O)Cc1ccc(cc1O)SC 62a_100010150832_200000210301 [0,1,0,0,0,1|0,1,0]=3 5037 B14R1.3714 COC(=O)Cc1ccc(cc1O)SC 62a_200000210301_100010150832 [0,1,0,0,0,1|0,1,0]=3 5038 B14R1.3714 COC(=O)Cc1ccc(cc1O)S[13CH3] 62a_100010150832_200025704644 [0,1,0,0,0,1|0,1,0]=3 5039 B14R1.3714 COC(=O)Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100010150832 [0,1,0,0,0,1|0,1,0]=3 5040 B14R1.3714 COc1ccc(c(c1)Br)CC(=O)CF 1458a_100000238646_100015361967 [0,1,0,0,0,1|2,0,0]=4 5041 B14R1.3714 COc1ccc(c(c1)Br)CC(=O)CO 1458a_100000210174_100011982828 [0,1,0,0,0,1|2,0,0]=4 5042 B14R1.3714 COc1ccc(c(c1)Br)NC(=O)CO 22a_100015195136_100000210174 [0,1,0,0,0,1|2,0,0]=4 5043 B14R1.3714 COc1ccc(c(c1)Br)NC(=O)CO 527a_100015195136_100000210174 [0,1,0,0,0,1|2,0,0]=4 5044 B14R1.3714 COc1ccc(c(c1)Br)SC(C)OC 62a_100009879195_100012349170 [0,1,0,0,0,1|1,0,1]=4 5045 B14R1.3714 COc1ccc(c(c1)Br)SC(C)OC 62a_100012349170_100009879195 [0,1,0,0,0,1|1,0,1]=4 5046 B14R1.3714 COc1ccc(c(c1)C)CC(=O)CF 1458a_100011996676_100015361967 [0,1,0,0,0,1|2,0,0]=4 5047 B14R1.3714 COc1ccc(c(c1)C)NC(=O)CO 22a_100000750285_100000210174 [0,1,0,0,0,1|2,0,0]=4 5048 B14R1.3714 COc1ccc(c(c1)C)NC(=O)CO 527a_100000750285_100000210174 [0,1,0,0,0,1|2,0,0]=4 5049 B14R1.3714 COc1ccc(c(c1)C)SC(C)OC 62a_100000759875_100009879195 [0,1,0,0,0,1|1,0,1]=4 5050 B14R1.3714 COc1ccc(c(c1)C)SC(C)OC 62a_100009879195_100000759875 [0,1,0,0,0,1|1,0,1]=4 5051 B14R1.3714 COc1ccc(c(c1)Cl)CC(=O)CF 1458a_100000688043_100015361967 [0,1,0,0,0,1|2,0,0]=4 5052 B14R1.3714 COc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_200011830453 [0,1,0,0,0,1|2,0,0]=4 5053 B14R1.3714 COc1ccc(c(c1)Cl)NC(=O)CO 22a_100000747055_100000210174 [0,1,0,0,0,1|2,0,0]=4 5054 B14R1.3714 COc1ccc(c(c1)Cl)NC(=O)CO 527a_100000747055_100000210174 [0,1,0,0,0,1|2,0,0]=4 5055 B14R1.3714 COc1ccc(c(c1)F)CC(=O)CF 1458a_100000709196_100015361967 [0,1,0,0,0,1|2,0,0]=4 5056 B14R1.3714 COc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100011260761 [0,1,0,0,0,1|2,0,0]=4 5057 B14R1.3714 COc1ccc(c(c1)F)NC(=O)CO 22a_100011299463_100000210174 [0,1,0,0,0,1|2,0,0]=4 5058 B14R1.3714 COc1ccc(c(c1)F)NC(=O)CO 527a_100011299463_100000210174 [0,1,0,0,0,1|2,0,0]=4 5059 B14R1.3714 COc1ccc(c(c1)F)SC(C)OC 62a_100000753793_100009879195 [0,1,0,0,0,1|1,0,1]=4 5060 B14R1.3714 COc1ccc(c(c1)F)SC(C)OC 62a_100009879195_100000753793 [0,1,0,0,0,1|1,0,1]=4 5061 B14R1.3714 COc1ccc(c(c1)I)NC(=O)CO 22a_100000049804_100000210174 [0,1,0,0,0,1|2,0,0]=4 5062 B14R1.3714 COc1ccc(c(c1)I)NC(=O)CO 527a_100000049804_100000210174 [0,1,0,0,0,1|2,0,0]=4 5063 B14R1.3714 COc1ccc(c(c1)N)SC(C)OC 62a_100000748021_100009879195 [0,1,0,0,0,1|1,0,1]=4 5064 B14R1.3714 COc1ccc(c(c1)N)SC(C)OC 62a_100009879195_100000748021 [0,1,0,0,0,1|1,0,1]=4 5065 B14R1.3714 COc1ccc(c(c1)O)NC(=O)CO 22a_100016989039_100000210174 [0,1,0,0,0,1|2,0,0]=4 5066 B14R1.3714 COc1ccc(c(c1)O)NC(=O)CO 527a_100016989039_100000210174 [0,1,0,0,0,1|2,0,0]=4 5067 B14R1.3714 COc1ccc(c(c1)O)SC(C)OC 62a_100009879195_100000719091 [0,1,0,0,0,1|1,0,1]=4 5068 B14R1.8 CCC(C(=O)C)c1ccc(cc1)OC 1458a_200000687490_200000210301 [0,2,0,0,0,0|1,0,1]=4 5069 B14R1.8 CCC(C(=O)[13CH3])c1ccc(cc1)OC 1458a_200000687490_200025704644 [0,2,0,0,0,0|1,0,1]=4 5070 B14R1.8 CNC(C(=O)O)c1ccc(cc1)OC 269956a_100000181765_200000210301 [0,2,0,0,0,0|1,0,1]=4 5071 B14R1.8 COc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100000181765_200025704644 [0,2,0,0,0,0|1,0,1]=4 5072 B14R1.8 COc1ccc(cc1)C(OC)C(C)C 34a_200011350851_200000210301 [0,2,0,0,0,0|1,0,1]=4 5073 B14R1.8 COc1ccc(cc1)C(OC)C(C)C 7a_200011350851_200000210301 [0,2,0,0,0,0|1,0,1]=4 5074 B14R1.8 COc1ccc(cc1)C(O[13CH3])C(C)C 34a_200011350851_200025704644 [0,2,0,0,0,0|1,0,1]=4 5075 B14R1.8 COc1ccc(cc1)C(O[13CH3])C(C)C 7a_200011350851_200025704644 [0,2,0,0,0,0|1,0,1]=4 5076 B14R1.102 CCc1ccc(c(c1)F)C(=O)C(C)C 1458a_200009867912_100000210206 [0,2,0,0,0,0|2,0,0]=4 5077 B14R1.102 CCc1ccc(c(c1)F)C(=O)N(C)C 11a_100102631434_200009867912 [0,2,0,0,0,0|2,0,0]=4 5078 B14R1.102 CCc1ccc(c(c1)F)C(=O)N(C)C 1626a_100102631434_200009867912 [0,2,0,0,0,0|2,0,0]=4 5079 B14R1.102 CCc1ccc(c(c1)F)C(=O)N(C)C 240690a_100102631434_200009867912 [0,2,0,0,0,0|2,0,0]=4 5080 B14R1.102 CCc1ccc(c(c1)F)C(=O)N(C)C 527a_100102631434_200009867912 [0,2,0,0,0,0|2,0,0]=4 5081 B14R1.102 CN(C)C(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000744803_200025704644 [0,2,0,0,0,0|2,0,0]=4 5082 B14R1.102 CN(C)C(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000744803_200025704644 [0,2,0,0,0,0|2,0,0]=4 5083 B14R1.102 CN(C)C(=O)c1ccc(cc1F)S[13CH3] 62a_200000216859_200025704644 [0,2,0,0,0,0|1,1,0]=4 5084 B14R1.102 CN(C)C(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_200000216859 [0,2,0,0,0,0|1,1,0]=4 5085 B14R1.102 CNc1ccc(c(c1)Cl)C(=O)N(C)C 34a_100000744803_200000210301 [0,2,0,0,0,0|2,0,0]=4 5086 B14R1.102 CNc1ccc(c(c1)Cl)C(=O)N(C)C 7a_100000744803_200000210301 [0,2,0,0,0,0|2,0,0]=4 5087 B14R1.102 CNc1ccc(c(c1)F)C(=O)N(C)C 27a_100102657272_200000216859 [0,2,0,0,0,0|2,0,0]=4 5088 B14R1.102 COc1ccc(c(c1)Br)C(=C(C)C)C 271570a_200000049429_100012349170 [0,2,0,0,0,0|2,0,0]=4 5089 B14R1.102 COc1ccc(c(c1)Br)C(=O)C(C)C 1458a_100000748873_100000210206 [0,2,0,0,0,0|1,0,0]=3 5090 B14R1.102 COc1ccc(c(c1)Br)C(=O)N(C)C 11a_100102631434_100000748873 [0,2,0,0,0,0|1,0,0]=3 5091 B14R1.102 COc1ccc(c(c1)Br)C(=O)N(C)C 1626a_100102631434_100000748873 [0,2,0,0,0,0|1,0,0]=3 5092 B14R1.102 COc1ccc(c(c1)Br)C(=O)N(C)C 240690a_100102631434_100000748873 [0,2,0,0,0,0|1,0,0]=3 5093 B14R1.102 COc1ccc(c(c1)Br)C(=O)N(C)C 527a_100102631434_100000748873 [0,2,0,0,0,0|1,0,0]=3 5094 B14R1.102 COc1ccc(c(c1)C)C(=C(C)C)C 271570a_200000049429_100000759875 [0,2,0,0,0,0|2,0,0]=4 5095 B14R1.102 COc1ccc(c(c1)C)C(=O)C(C)C 1458a_100000763155_100000210206 [0,2,0,0,0,0|1,0,0]=3 5096 B14R1.102 COc1ccc(c(c1)C)C(=O)N(C)C 11a_100102631434_100000763155 [0,2,0,0,0,0|1,0,0]=3 5097 B14R1.102 COc1ccc(c(c1)C)C(=O)N(C)C 1626a_100102631434_100000763155 [0,2,0,0,0,0|1,0,0]=3 5098 B14R1.102 COc1ccc(c(c1)C)C(=O)N(C)C 240690a_100102631434_100000763155 [0,2,0,0,0,0|1,0,0]=3 5099 B14R1.102 COc1ccc(c(c1)C)C(=O)N(C)C 527a_100102631434_100000763155 [0,2,0,0,0,0|1,0,0]=3 5100 B14R1.102 COc1ccc(c(c1)Cl)C(=O)C(C)C 1458a_100000753557_100000210206 [0,2,0,0,0,0|1,0,0]=3 5101 B14R1.102 COc1ccc(c(c1)Cl)C(=O)N(C)C 11a_100102631434_100000753557 [0,2,0,0,0,0|1,0,0]=3 5102 B14R1.102 COc1ccc(c(c1)Cl)C(=O)N(C)C 1626a_100102631434_100000753557 [0,2,0,0,0,0|1,0,0]=3 5103 B14R1.102 COc1ccc(c(c1)Cl)C(=O)N(C)C 240690a_100102631434_100000753557 [0,2,0,0,0,0|1,0,0]=3 5104 B14R1.102 COc1ccc(c(c1)Cl)C(=O)N(C)C 527a_100102631434_100000753557 [0,2,0,0,0,0|1,0,0]=3 5105 B14R1.102 COc1ccc(c(c1)F)C(=C(C)C)C 271570a_200000049429_100000753793 [0,2,0,0,0,0|2,0,0]=4 5106 B14R1.102 COc1ccc(c(c1)F)C(=O)C(C)C 1458a_100000198494_100000210206 [0,2,0,0,0,0|1,0,0]=3 5107 B14R1.102 COc1ccc(c(c1)F)C(=O)N(C)C 11a_100102631434_100000198494 [0,2,0,0,0,0|1,0,0]=3 5108 B14R1.102 COc1ccc(c(c1)F)C(=O)N(C)C 1626a_100102631434_100000198494 [0,2,0,0,0,0|1,0,0]=3 5109 B14R1.102 COc1ccc(c(c1)F)C(=O)N(C)C 240690a_100102631434_100000198494 [0,2,0,0,0,0|1,0,0]=3 5110 B14R1.102 COc1ccc(c(c1)F)C(=O)N(C)C 527a_100102631434_100000198494 [0,2,0,0,0,0|1,0,0]=3 5111 B14R1.102 COc1ccc(c(c1)I)C(=O)C(C)C 1458a_100000688016_100000210206 [0,2,0,0,0,0|1,0,0]=3 5112 B14R1.102 COc1ccc(c(c1)I)C(=O)N(C)C 11a_100102631434_100000688016 [0,2,0,0,0,0|1,0,0]=3 5113 B14R1.102 COc1ccc(c(c1)I)C(=O)N(C)C 1626a_100102631434_100000688016 [0,2,0,0,0,0|1,0,0]=3 5114 B14R1.102 COc1ccc(c(c1)I)C(=O)N(C)C 240690a_100102631434_100000688016 [0,2,0,0,0,0|1,0,0]=3 5115 B14R1.102 COc1ccc(c(c1)I)C(=O)N(C)C 527a_100102631434_100000688016 [0,2,0,0,0,0|1,0,0]=3 5116 B14R1.102 COc1ccc(c(c1)N)C(=C(C)C)C 271570a_200000049429_100000748021 [0,2,0,0,0,0|2,0,0]=4 5117 B14R1.102 COc1ccc(c(c1)O)C(=C(C)C)C 271570a_200000049429_100000719091 [0,2,0,0,0,0|2,0,0]=4 5118 B14R1.102 COc1ccc(c(c1)O)C(=O)C(C)C 1458a_100000212123_100000210206 [0,2,0,0,0,0|1,0,0]=3 5119 B14R1.102 COc1ccc(c(c1)O)C(=O)N(C)C 11a_100102631434_100000212123 [0,2,0,0,0,0|1,0,0]=3 5120 B14R1.102 COc1ccc(c(c1)O)C(=O)N(C)C 240690a_100102631434_100000212123 [0,2,0,0,0,0|1,0,0]=3 5121 B14R1.102 COc1ccc(c(c1)O)C(=O)N(C)C 527a_100102631434_100000212123 [0,2,0,0,0,0|1,0,0]=3 5122 B14R1.102 CSc1ccc(c(c1)C)C(=O)C(C)C 1458a_100012278374_100000210206 [0,2,0,0,0,0|1,1,0]=4 5123 B14R1.102 CSc1ccc(c(c1)C)C(=O)N(C)C 11a_100102631434_100012278374 [0,2,0,0,0,0|1,1,0]=4 5124 B14R1.102 CSc1ccc(c(c1)C)C(=O)N(C)C 1626a_100102631434_100012278374 [0,2,0,0,0,0|1,1,0]=4 5125 B14R1.102 CSc1ccc(c(c1)C)C(=O)N(C)C 240690a_100102631434_100012278374 [0,2,0,0,0,0|1,1,0]=4 5126 B14R1.102 CSc1ccc(c(c1)C)C(=O)N(C)C 527a_100102631434_100012278374 [0,2,0,0,0,0|1,1,0]=4 5127 B14R1.102 CSc1ccc(c(c1)F)C(=O)N(C)C 62a_200000210301_200000216859 [0,2,0,0,0,0|1,1,0]=4 5128 B14R1.102 CSc1ccc(c(c1)F)C(=O)N(C)C 62a_200000216859_200000210301 [0,2,0,0,0,0|1,1,0]=4 5129 B14R1.141 CC#Cc1ccc(cc1)C(=O)C(C)C 1458a_100009923575_100000210206 [0,2,0,0,0,0|2,0,0]=4 5130 B14R1.141 CC#Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100009923575 [0,2,0,0,0,0|2,0,0]=4 5131 B14R1.141 CC#Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100009923575 [0,2,0,0,0,0|2,0,0]=4 5132 B14R1.141 CC#Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100009923575 [0,2,0,0,0,0|2,0,0]=4 5133 B14R1.141 CC#Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100009923575 [0,2,0,0,0,0|2,0,0]=4 5134 B14R1.141 CC(Br)C(=O)c1ccc(cc1)OCF 34a_200010205864_100015361967 [0,2,0,0,0,0|1,0,0]=3 5135 B14R1.141 CC(Br)C(=O)c1ccc(cc1)OCF 7a_200010205864_100015361967 [0,2,0,0,0,0|1,0,0]=3 5136 B14R1.141 CC(C)C(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210206 [0,2,0,0,0,0|2,0,0]=4 5137 B14R1.141 CC(C)C(=O)c1ccc(cc1)OCF 34a_100011995950_100015361967 [0,2,0,0,0,0|1,0,0]=3 5138 B14R1.141 CC(C)C(=O)c1ccc(cc1)OCF 7a_100011995950_100015361967 [0,2,0,0,0,0|1,0,0]=3 5139 B14R1.141 CC(C)C(=O)c1ccc(cc1)SCF 62a_100011220430_100015361967 [0,2,0,0,0,0|1,1,0]=4 5140 B14R1.141 CC(C)C(=O)c1ccc(cc1)SCF 62a_100015361967_100011220430 [0,2,0,0,0,0|1,1,0]=4 5141 B14R1.141 CC=Cc1ccc(cc1)C(=O)C(C)C 271570a_100016259895_100011220430 [0,2,0,0,0,0|2,0,0]=4 5142 B14R1.141 CC=Cc1ccc(cc1)C(=O)N(C)C 271570a_100016259895_100000159574 [0,2,0,0,0,0|2,0,0]=4 5143 B14R1.141 CCCc1ccc(cc1)C(=O)C(C)C 1458a_100011207308_100000210206 [0,2,0,0,0,0|2,0,0]=4 5144 B14R1.141 CCCc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100011207308 [0,2,0,0,0,0|2,0,0]=4 5145 B14R1.141 CCCc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100011207308 [0,2,0,0,0,0|2,0,0]=4 5146 B14R1.141 CCCc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100011207308 [0,2,0,0,0,0|2,0,0]=4 5147 B14R1.141 CCCc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100011207308 [0,2,0,0,0,0|2,0,0]=4 5148 B14R1.141 CCNc1ccc(cc1)C(=O)C(C)C 27a_100015525214_100011220430 [0,2,0,0,0,0|2,0,0]=4 5149 B14R1.141 CCNc1ccc(cc1)C(=O)N(C)C 27a_100015525214_100000159574 [0,2,0,0,0,0|2,0,0]=4 5150 B14R1.141 CCNc1ccc(cc1)C(=O)N(C)C 34a_100000184784_100000210202 [0,2,0,0,0,0|2,0,0]=4 5151 B14R1.141 CCOc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000169946 [0,2,0,0,0,0|2,0,0]=4 5152 B14R1.141 CCOc1ccc(cc1)C(=O)C(C)Br 34a_200010205864_100000210202 [0,2,0,0,0,0|1,0,0]=3 5153 B14R1.141 CCOc1ccc(cc1)C(=O)C(C)Br 7a_200010205864_100000210202 [0,2,0,0,0,0|1,0,0]=3 5154 B14R1.141 CCOc1ccc(cc1)C(=O)C(C)C 1458a_100000181891_100000210206 [0,2,0,0,0,0|1,0,0]=3 5155 B14R1.141 CCOc1ccc(cc1)C(=O)C(C)C 34a_100011995950_100000210202 [0,2,0,0,0,0|1,0,0]=3 5156 B14R1.141 CCOc1ccc(cc1)C(=O)C(C)C 7a_100011995950_100000210202 [0,2,0,0,0,0|1,0,0]=3 5157 B14R1.141 CCOc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000181891 [0,2,0,0,0,0|1,0,0]=3 5158 B14R1.141 CCOc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000181891 [0,2,0,0,0,0|1,0,0]=3 5159 B14R1.141 CCOc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000181891 [0,2,0,0,0,0|1,0,0]=3 5160 B14R1.141 CCOc1ccc(cc1)C(=O)N(C)C 34a_100000192105_100000210202 [0,2,0,0,0,0|1,0,0]=3 5161 B14R1.141 CCOc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000181891 [0,2,0,0,0,0|1,0,0]=3 5162 B14R1.141 CCOc1ccc(cc1)C(=O)N(C)C 7a_100000192105_100000210202 [0,2,0,0,0,0|1,0,0]=3 5163 B14R1.141 CCSc1ccc(cc1)C(=O)C(C)C 1458a_100000244969_100000210206 [0,2,0,0,0,0|1,1,0]=4 5164 B14R1.141 CCSc1ccc(cc1)C(=O)C(C)C 62a_100000210202_100011220430 [0,2,0,0,0,0|1,1,0]=4 5165 B14R1.141 CCSc1ccc(cc1)C(=O)C(C)C 62a_100011220430_100000210202 [0,2,0,0,0,0|1,1,0]=4 5166 B14R1.141 CCSc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000244969 [0,2,0,0,0,0|1,1,0]=4 5167 B14R1.141 CCSc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000244969 [0,2,0,0,0,0|1,1,0]=4 5168 B14R1.141 CCSc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000244969 [0,2,0,0,0,0|1,1,0]=4 5169 B14R1.141 CCSc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000244969 [0,2,0,0,0,0|1,1,0]=4 5170 B14R1.141 CCSc1ccc(cc1)C(=O)N(C)C 62a_100000159574_100000210202 [0,2,0,0,0,0|1,1,0]=4 5171 B14R1.141 CCSc1ccc(cc1)C(=O)N(C)C 62a_100000210202_100000159574 [0,2,0,0,0,0|1,1,0]=4 5172 B14R1.141 CN(C)C(=O)c1ccc(cc1)CCO 1626a_100102631434_100000078963 [0,2,0,0,0,0|2,0,0]=4 5173 B14R1.141 CN(C)C(=O)c1ccc(cc1)CCO 240690a_100102631434_100000078963 [0,2,0,0,0,0|2,0,0]=4 5174 B14R1.141 CN(C)C(=O)c1ccc(cc1)CN[13CH3] 2230a_100000246156_200025704644 [0,2,0,0,0,0|2,0,0]=4 5175 B14R1.141 CN(C)C(=O)c1ccc(cc1)CN[13CH3] 34a_100000246156_200025704644 [0,2,0,0,0,0|2,0,0]=4 5176 B14R1.141 CN(C)C(=O)c1ccc(cc1)CO[13CH3] 34a_100000159455_200025704644 [0,2,0,0,0,0|1,0,0]=3 5177 B14R1.141 CN(C)C(=O)c1ccc(cc1)CO[13CH3] 7a_100000159455_200025704644 [0,2,0,0,0,0|1,0,0]=3 5178 B14R1.141 CN(C)C(=O)c1ccc(cc1)CS[13CH3] 62a_100000230106_200025704644 [0,2,0,0,0,0|1,1,0]=4 5179 B14R1.141 CN(C)C(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000230106 [0,2,0,0,0,0|1,1,0]=4 5180 B14R1.141 CN(C)C(=O)c1ccc(cc1)NCF 34a_100000184784_100015361967 [0,2,0,0,0,0|2,0,0]=4 5181 B14R1.141 CN(C)C(=O)c1ccc(cc1)OCF 34a_100000192105_100015361967 [0,2,0,0,0,0|1,0,0]=3 5182 B14R1.141 CN(C)C(=O)c1ccc(cc1)OCF 7a_100000192105_100015361967 [0,2,0,0,0,0|1,0,0]=3 5183 B14R1.141 CN(C)C(=O)c1ccc(cc1)SCF 62a_100000159574_100015361967 [0,2,0,0,0,0|1,1,0]=4 5184 B14R1.141 CN(C)C(=O)c1ccc(cc1)SCF 62a_100015361967_100000159574 [0,2,0,0,0,0|1,1,0]=4 5185 B14R1.141 CNCc1ccc(cc1)C(=O)C(C)Br 26a_100102657272_200010205864 [0,2,0,0,0,0|2,0,0]=4 5186 B14R1.141 CNCc1ccc(cc1)C(=O)C(C)C 26a_100102657272_100011995950 [0,2,0,0,0,0|2,0,0]=4 5187 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 207a_100102657272_100000050693 [0,2,0,0,0,0|2,0,0]=4 5188 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 2230a_100000246156_200000210301 [0,2,0,0,0,0|2,0,0]=4 5189 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 2230a_106832991635_100000230106 [0,2,0,0,0,0|2,0,0]=4 5190 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 26a_100102657272_100000192105 [0,2,0,0,0,0|2,0,0]=4 5191 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 270004a_106832991635_100000050693 [0,2,0,0,0,0|2,0,0]=4 5192 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 34a_100000246156_200000210301 [0,2,0,0,0,0|2,0,0]=4 5193 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 34a_100102657272_100000230106 [0,2,0,0,0,0|2,0,0]=4 5194 B14R1.141 CNCc1ccc(cc1)C(=O)N(C)C 7a_106832991635_100000230106 [0,2,0,0,0,0|2,0,0]=4 5195 B14R1.141 COCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011493685 [0,2,0,0,0,0|2,0,0]=4 5196 B14R1.141 COCc1ccc(cc1)C(=O)C(C)C 1458a_100000189608_100000210206 [0,2,0,0,0,0|1,0,0]=3 5197 B14R1.141 COCc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000189608 [0,2,0,0,0,0|1,0,0]=3 5198 B14R1.141 COCc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000189608 [0,2,0,0,0,0|1,0,0]=3 5199 B14R1.141 COCc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000189608 [0,2,0,0,0,0|1,0,0]=3 5200 B14R1.141 COCc1ccc(cc1)C(=O)N(C)C 34a_100000159455_200000210301 [0,2,0,0,0,0|1,0,0]=3 5201 B14R1.141 COCc1ccc(cc1)C(=O)N(C)C 34a_100138415774_100000230106 [0,2,0,0,0,0|1,0,0]=3 5202 B14R1.141 COCc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000189608 [0,2,0,0,0,0|1,0,0]=3 5203 B14R1.141 COCc1ccc(cc1)C(=O)N(C)C 7a_100000159455_200000210301 [0,2,0,0,0,0|1,0,0]=3 5204 B14R1.141 CSCc1ccc(cc1)C(=O)C(C)C 1458a_100000175442_100000210206 [0,2,0,0,0,0|1,1,0]=4 5205 B14R1.141 CSCc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000175442 [0,2,0,0,0,0|1,1,0]=4 5206 B14R1.141 CSCc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000175442 [0,2,0,0,0,0|1,1,0]=4 5207 B14R1.141 CSCc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000175442 [0,2,0,0,0,0|1,1,0]=4 5208 B14R1.141 CSCc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000175442 [0,2,0,0,0,0|1,1,0]=4 5209 B14R1.141 CSCc1ccc(cc1)C(=O)N(C)C 62a_100000230106_200000210301 [0,2,0,0,0,0|1,1,0]=4 5210 B14R1.141 CSCc1ccc(cc1)C(=O)N(C)C 62a_200000210301_100000230106 [0,2,0,0,0,0|1,1,0]=4 5211 B14R1.212 CC(C)(C)C(=O)c1ccc(cc1)S[13CH3] 62a_100000701730_200025704644 [0,2,0,0,0,0|1,1,0]=4 5212 B14R1.212 CC(C)(C)C(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000701730 [0,2,0,0,0,0|1,1,0]=4 5213 B14R1.212 CNc1ccc(cc1)C(=O)C(C)(C)C 27a_100102657272_100000701730 [0,2,0,0,0,0|2,0,0]=4 5214 B14R1.212 COc1ccc(cc1)C(=O)C(F)(F)F 1458a_100000184203_200000243211 [0,2,0,0,0,0|2,0,0]=4 5215 B14R1.212 COc1ccc(cc1)C(=O)C(F)(F)F 34a_100000094045_200000210301 [0,2,0,0,0,0|2,0,0]=4 5216 B14R1.212 COc1ccc(cc1)C(=O)C(F)(F)F 7a_100000094045_200000210301 [0,2,0,0,0,0|2,0,0]=4 5217 B14R1.212 CSc1ccc(cc1)C(=O)C(C)(C)C 62a_100000701730_200000210301 [0,2,0,0,0,0|1,1,0]=4 5218 B14R1.212 CSc1ccc(cc1)C(=O)C(C)(C)C 62a_200000210301_100000701730 [0,2,0,0,0,0|1,1,0]=4 5219 B14R1.212 [13CH3]Oc1ccc(cc1)C(=O)C(F)(F)F 34a_100000094045_200025704644 [0,2,0,0,0,0|2,0,0]=4 5220 B14R1.212 [13CH3]Oc1ccc(cc1)C(=O)C(F)(F)F 7a_100000094045_200025704644 [0,2,0,0,0,0|2,0,0]=4 5221 B14R1.213 COc1ccc(cc1)S(=O)(=O)N(C)C 270084a_100102631434_100000182833 [0,2,0,0,0,0|2,0,0]=4 5222 B14R1.213 COc1ccc(cc1)S(=O)(=O)N(C)C 274078a_100102631434_100000182833 [0,2,0,0,0,0|2,0,0]=4 5223 B14R1.3652 CCc1ccc(cc1Br)C(=O)C(C)C 1458a_100012340589_100000210206 [0,2,0,0,0,0|2,0,0]=4 5224 B14R1.3652 CCc1ccc(cc1Br)C(=O)N(C)C 11a_100102631434_100012340589 [0,2,0,0,0,0|2,0,0]=4 5225 B14R1.3652 CCc1ccc(cc1Br)C(=O)N(C)C 1626a_100102631434_100012340589 [0,2,0,0,0,0|2,0,0]=4 5226 B14R1.3652 CCc1ccc(cc1Br)C(=O)N(C)C 240690a_100102631434_100012340589 [0,2,0,0,0,0|2,0,0]=4 5227 B14R1.3652 CCc1ccc(cc1Br)C(=O)N(C)C 527a_100102631434_100012340589 [0,2,0,0,0,0|2,0,0]=4 5228 B14R1.3652 CCc1ccc(cc1O)C(=O)C(C)C 1458a_100000089006_100000210206 [0,2,0,0,0,0|2,0,0]=4 5229 B14R1.3652 CCc1ccc(cc1O)C(=O)N(C)C 240690a_100102631434_100000089006 [0,2,0,0,0,0|2,0,0]=4 5230 B14R1.3652 CCc1ccc(cc1O)C(=O)N(C)C 527a_100102631434_100000089006 [0,2,0,0,0,0|2,0,0]=4 5231 B14R1.3652 CNc1ccc(cc1C)C(=O)N(C)C 2230a_200011200722_200000210301 [0,2,0,0,0,0|2,0,0]=4 5232 B14R1.3652 CNc1ccc(cc1C)C(=O)N(C)C 34a_200011200722_200000210301 [0,2,0,0,0,0|2,0,0]=4 5233 B14R1.3652 CNc1ccc(cc1C)C(=O)N(C)C 7a_200011200722_200000210301 [0,2,0,0,0,0|2,0,0]=4 5234 B14R1.3652 COc1ccc(cc1Br)C(=C(C)C)C 271570a_200000049429_100011249507 [0,2,0,0,0,0|2,0,0]=4 5235 B14R1.3652 COc1ccc(cc1Br)C(=O)C(C)C 1458a_100000187947_100000210206 [0,2,0,0,0,0|1,0,0]=3 5236 B14R1.3652 COc1ccc(cc1Br)C(=O)N(C)C 11a_100102631434_100000187947 [0,2,0,0,0,0|1,0,0]=3 5237 B14R1.3652 COc1ccc(cc1Br)C(=O)N(C)C 1626a_100102631434_100000187947 [0,2,0,0,0,0|1,0,0]=3 5238 B14R1.3652 COc1ccc(cc1Br)C(=O)N(C)C 240690a_100102631434_100000187947 [0,2,0,0,0,0|1,0,0]=3 5239 B14R1.3652 COc1ccc(cc1Br)C(=O)N(C)C 527a_100102631434_100000187947 [0,2,0,0,0,0|1,0,0]=3 5240 B14R1.3652 COc1ccc(cc1C)C(=C(C)C)C 271570a_200000049429_100011219705 [0,2,0,0,0,0|2,0,0]=4 5241 B14R1.3652 COc1ccc(cc1C)C(=O)C(C)C 1458a_100011202886_100000210206 [0,2,0,0,0,0|1,0,0]=3 5242 B14R1.3652 COc1ccc(cc1C)C(=O)N(C)C 11a_100102631434_100011202886 [0,2,0,0,0,0|1,0,0]=3 5243 B14R1.3652 COc1ccc(cc1C)C(=O)N(C)C 1626a_100102631434_100011202886 [0,2,0,0,0,0|1,0,0]=3 5244 B14R1.3652 COc1ccc(cc1C)C(=O)N(C)C 240690a_100102631434_100011202886 [0,2,0,0,0,0|1,0,0]=3 5245 B14R1.3652 COc1ccc(cc1C)C(=O)N(C)C 527a_100102631434_100011202886 [0,2,0,0,0,0|1,0,0]=3 5246 B14R1.3652 COc1ccc(cc1Cl)C(=C(C)C)C 271570a_200000049429_100012355395 [0,2,0,0,0,0|2,0,0]=4 5247 B14R1.3652 COc1ccc(cc1Cl)C(=O)C(C)C 1458a_100000188346_100000210206 [0,2,0,0,0,0|1,0,0]=3 5248 B14R1.3652 COc1ccc(cc1Cl)C(=O)N(C)C 11a_100102631434_100000188346 [0,2,0,0,0,0|1,0,0]=3 5249 B14R1.3652 COc1ccc(cc1Cl)C(=O)N(C)C 1626a_100102631434_100000188346 [0,2,0,0,0,0|1,0,0]=3 5250 B14R1.3652 COc1ccc(cc1Cl)C(=O)N(C)C 240690a_100102631434_100000188346 [0,2,0,0,0,0|1,0,0]=3 5251 B14R1.3652 COc1ccc(cc1Cl)C(=O)N(C)C 527a_100102631434_100000188346 [0,2,0,0,0,0|1,0,0]=3 5252 B14R1.3652 COc1ccc(cc1F)C(=C(C)C)C 271570a_200000049429_100000185480 [0,2,0,0,0,0|2,0,0]=4 5253 B14R1.3652 COc1ccc(cc1F)C(=O)C(C)C 1458a_100000186160_100000210206 [0,2,0,0,0,0|1,0,0]=3 5254 B14R1.3652 COc1ccc(cc1F)C(=O)N(C)C 11a_100102631434_100000186160 [0,2,0,0,0,0|1,0,0]=3 5255 B14R1.3652 COc1ccc(cc1F)C(=O)N(C)C 1626a_100102631434_100000186160 [0,2,0,0,0,0|1,0,0]=3 5256 B14R1.3652 COc1ccc(cc1F)C(=O)N(C)C 240690a_100102631434_100000186160 [0,2,0,0,0,0|1,0,0]=3 5257 B14R1.3652 COc1ccc(cc1F)C(=O)N(C)C 527a_100102631434_100000186160 [0,2,0,0,0,0|1,0,0]=3 5258 B14R1.3652 COc1ccc(cc1I)C(=O)C(C)C 1458a_100000188716_100000210206 [0,2,0,0,0,0|1,0,0]=3 5259 B14R1.3652 COc1ccc(cc1I)C(=O)N(C)C 11a_100102631434_100000188716 [0,2,0,0,0,0|1,0,0]=3 5260 B14R1.3652 COc1ccc(cc1I)C(=O)N(C)C 1626a_100102631434_100000188716 [0,2,0,0,0,0|1,0,0]=3 5261 B14R1.3652 COc1ccc(cc1I)C(=O)N(C)C 240690a_100102631434_100000188716 [0,2,0,0,0,0|1,0,0]=3 5262 B14R1.3652 COc1ccc(cc1I)C(=O)N(C)C 527a_100102631434_100000188716 [0,2,0,0,0,0|1,0,0]=3 5263 B14R1.3652 COc1ccc(cc1N)C(=C(C)C)C 271570a_200000049429_100000743470 [0,2,0,0,0,0|2,0,0]=4 5264 B14R1.3652 COc1ccc(cc1O)C(=C(C)C)C 271570a_200000049429_100009816560 [0,2,0,0,0,0|2,0,0]=4 5265 B14R1.3652 COc1ccc(cc1O)C(=O)C(C)C 1458a_100000766810_100000210206 [0,2,0,0,0,0|1,0,0]=3 5266 B14R1.3652 COc1ccc(cc1O)C(=O)N(C)C 240690a_100102631434_100000766810 [0,2,0,0,0,0|1,0,0]=3 5267 B14R1.3652 COc1ccc(cc1O)C(=O)N(C)C 527a_100102631434_100000766810 [0,2,0,0,0,0|1,0,0]=3 5268 B14R1.3652 Cc1cc(ccc1N[13CH3])C(=O)N(C)C 2230a_200011200722_200025704644 [0,2,0,0,0,0|2,0,0]=4 5269 B14R1.3652 Cc1cc(ccc1N[13CH3])C(=O)N(C)C 34a_200011200722_200025704644 [0,2,0,0,0,0|2,0,0]=4 5270 B14R1.3652 Cc1cc(ccc1N[13CH3])C(=O)N(C)C 7a_200011200722_200025704644 [0,2,0,0,0,0|2,0,0]=4 5271 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)C(C)C 1458a_200009908186_100000210206 [0,2,0,0,0,0|2,0,0]=4 5272 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)C(C)C 271570a_100000694244_100011220430 [0,2,0,0,0,0|2,0,0]=4 5273 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 11a_100102631434_200009908186 [0,2,0,0,0,0|2,0,0]=4 5274 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 1626a_100102631434_200009908186 [0,2,0,0,0,0|2,0,0]=4 5275 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 240690a_100102631434_200009908186 [0,2,0,0,0,0|2,0,0]=4 5276 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 271570a_100000694244_100000159574 [0,2,0,0,0,0|2,0,0]=4 5277 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 527a_100102631434_200009908186 [0,2,0,0,0,0|2,0,0]=4 5278 B14R1.6402 CC(C)C(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210206 [0,2,0,0,0,0|2,0,0]=4 5279 B14R1.6402 CC(C)C(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210206 [0,2,0,0,0,0|2,0,0]=4 5280 B14R1.6402 CC(C)C(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210206 [0,2,0,0,0,0|2,0,0]=4 5281 B14R1.6402 CC(C)C(=O)c1ccc(cc1)N(C)C 27a_100102631434_100011220430 [0,2,0,0,0,0|2,0,0]=4 5282 B14R1.6402 CC(C)C(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210206 [0,2,0,0,0,0|1,1,0]=4 5283 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000210772 [0,2,0,0,0,0|2,0,0]=4 5284 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000210772 [0,2,0,0,0,0|2,0,0]=4 5285 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000210772 [0,2,0,0,0,0|2,0,0]=4 5286 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000210772 [0,2,0,0,0,0|2,0,0]=4 5287 B14R1.6402 CC(O)c1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000076921 [0,2,0,0,0,0|2,0,0]=4 5288 B14R1.6402 CN(C)C(=O)c1ccc(cc1)N(C)C 11a_100102631434_100000210873 [0,2,0,0,0,0|2,0,0]=4 5289 B14R1.6402 CN(C)C(=O)c1ccc(cc1)N(C)C 1626a_100102631434_100000210873 [0,2,0,0,0,0|2,0,0]=4 5290 B14R1.6402 CN(C)C(=O)c1ccc(cc1)N(C)C 240690a_100102631434_100000210873 [0,2,0,0,0,0|2,0,0]=4 5291 B14R1.6402 CN(C)C(=O)c1ccc(cc1)N(C)C 27a_100102631434_100000159574 [0,2,0,0,0,0|2,0,0]=4 5292 B14R1.6402 CN(C)C(=O)c1ccc(cc1)N(C)C 527a_100102631434_100000210873 [0,2,0,0,0,0|2,0,0]=4 5293 B14R1.6402 CN(C)C(=O)c1ccc(cc1)S(=O)C 1626a_100102631434_200000217594 [0,2,0,0,0,0|1,1,0]=4 5294 B14R1.6402 CN(C)C(=O)c1ccc(cc1)S(=O)C 240690a_100102631434_200000217594 [0,2,0,0,0,0|1,1,0]=4 5295 B14R1.6402 CN(C)C(=O)c1ccc(cc1)S(=O)C 527a_100102631434_200000217594 [0,2,0,0,0,0|1,1,0]=4 5296 B14R1.145 CCC(=NO)c1ccc(cc1)OCF 34a_100000740173_100015361967 [0,2,0,0,0,0|1,0,1]=4 5297 B14R1.145 CCOc1ccc(cc1)C(=NO)CC 34a_100000740173_100000210202 [0,2,0,0,0,0|1,0,1]=4 5298 B14R1.145 COC(OC)c1ccc(cc1)CO[13CH3] 34a_200000066697_200025704644 [0,2,0,0,0,0|0,0,2]=4 5299 B14R1.145 COC(OC)c1ccc(cc1)CO[13CH3] 7a_200000066697_200025704644 [0,2,0,0,0,0|0,0,2]=4 5300 B14R1.145 COCc1ccc(cc1)C(OC)OC 34a_200000066697_200000210301 [0,2,0,0,0,0|0,0,2]=4 5301 B14R1.145 COCc1ccc(cc1)C(OC)OC 7a_200000066697_200000210301 [0,2,0,0,0,0|0,0,2]=4 5302 B14R1.191 CCC(OCF)c1ccc(cc1)OC 34a_100000246523_100015361967 [0,2,0,0,0,0|1,0,1]=4 5303 B14R1.191 CCC(OCF)c1ccc(cc1)OC 7a_100000246523_100015361967 [0,2,0,0,0,0|1,0,1]=4 5304 B14R1.191 CCOC(C#N)c1ccc(cc1)OC 34a_100011218237_100000210202 [0,2,0,0,0,0|1,0,1]=4 5305 B14R1.191 CCOC(C#N)c1ccc(cc1)OC 7a_100011218237_100000210202 [0,2,0,0,0,0|1,0,1]=4 5306 B14R1.191 CCOC(CC)c1ccc(cc1)OC 34a_100000246523_100000210202 [0,2,0,0,0,0|1,0,1]=4 5307 B14R1.191 CCOC(CC)c1ccc(cc1)OC 7a_100000246523_100000210202 [0,2,0,0,0,0|1,0,1]=4 5308 B14R1.191 CCOC(CN)c1ccc(cc1)OC 34a_100000738651_100000210202 [0,2,0,0,0,0|1,0,1]=4 5309 B14R1.191 CNCC(OC)c1ccc(cc1)OC 34a_100011290904_200000210301 [0,2,0,0,0,0|1,0,1]=4 5310 B14R1.191 CNCC(O[13CH3])c1ccc(cc1)OC 34a_100011290904_200025704644 [0,2,0,0,0,0|1,0,1]=4 5311 B14R1.191 COc1ccc(cc1)C(C#N)OCF 34a_100011218237_100015361967 [0,2,0,0,0,0|1,0,1]=4 5312 B14R1.191 COc1ccc(cc1)C(C#N)OCF 7a_100011218237_100015361967 [0,2,0,0,0,0|1,0,1]=4 5313 B14R1.191 COc1ccc(cc1)C(CN)OCF 34a_100000738651_100015361967 [0,2,0,0,0,0|1,0,1]=4 5314 B14R1.487 C=C=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100015277604_100010247156 [0,2,0,0,0,0|1,0,1]=4 5315 B14R1.487 C=C=Cc1ccc(c(c1)C)C(=O)OC 271570a_100015277604_100000747612 [0,2,0,0,0,0|1,0,1]=4 5316 B14R1.487 C=C=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100015277604_100000060724 [0,2,0,0,0,0|1,0,1]=4 5317 B14R1.487 C=C=Cc1ccc(c(c1)F)C(=O)OC 271570a_100015277604_100000216654 [0,2,0,0,0,0|1,0,1]=4 5318 B14R1.487 C=C=Cc1ccc(c(c1)N)C(=O)OC 271570a_100015277604_100011373473 [0,2,0,0,0,0|1,0,1]=4 5319 B14R1.487 C=C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100015277604_100000062286 [0,2,0,0,0,0|1,0,1]=4 5320 B14R1.487 CC=Cc1cc(c(cn1)C(=O)OC)C 271570a_100016259895_100009871181 [0,2,0,0,0,0|2,0,0]=4 5321 B14R1.487 CC=Cc1cc(c(cn1)C(=O)OC)N 271570a_100016259895_100009862510 [0,2,0,0,0,0|2,0,0]=4 5322 B14R1.487 CC=Cc1ccc([n+](c1)[O-])C(=O)OC 271570a_100016259895_100015641791 [0,2,0,0,0,0|2,0,0]=4 5323 B14R1.487 CC=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100016259895_100010247156 [0,2,0,0,0,0|1,0,0]=3 5324 B14R1.487 CC=Cc1ccc(c(c1)C)C(=O)CC 271570a_100016259895_200012361375 [0,2,0,0,0,0|2,0,0]=4 5325 B14R1.487 CC=Cc1ccc(c(c1)C)C(=O)OC 271570a_100016259895_100000747612 [0,2,0,0,0,0|1,0,0]=3 5326 B14R1.487 CC=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100016259895_100000060724 [0,2,0,0,0,0|1,0,0]=3 5327 B14R1.487 CC=Cc1ccc(c(c1)F)C(=O)CC 271570a_100016259895_100012360378 [0,2,0,0,0,0|2,0,0]=4 5328 B14R1.487 CC=Cc1ccc(c(c1)F)C(=O)NC 271570a_100016259895_100000233932 [0,2,0,0,0,0|2,0,0]=4 5329 B14R1.487 CC=Cc1ccc(c(c1)F)C(=O)OC 271570a_100016259895_100000216654 [0,2,0,0,0,0|1,0,0]=3 5330 B14R1.487 CC=Cc1ccc(c(c1)N)C(=O)OC 271570a_100016259895_100011373473 [0,2,0,0,0,0|1,0,0]=3 5331 B14R1.487 CC=Cc1ccc(c(c1)O)C(=O)OC 271570a_100016259895_100000062286 [0,2,0,0,0,0|1,0,0]=3 5332 B14R1.487 CC=Cc1ccc(c(n1)C)C(=O)OC 271570a_100016259895_100000692007 [0,2,0,0,0,0|2,0,0]=4 5333 B14R1.487 CC=Cc1ccc(c(n1)F)C(=O)OC 271570a_100016259895_100010189635 [0,2,0,0,0,0|2,0,0]=4 5334 B14R1.487 CC=Cc1ccc(c(n1)N)C(=O)OC 271570a_100016259895_100000142702 [0,2,0,0,0,0|2,0,0]=4 5335 B14R1.487 CC=Cc1ccc(c(n1)O)C(=O)OC 271570a_100016259895_100015962272 [0,2,0,0,0,0|2,0,0]=4 5336 B14R1.487 CC=Cc1cnc(c(c1)C)C(=O)OC 271570a_100016259895_100010178714 [0,2,0,0,0,0|2,0,0]=4 5337 B14R1.487 CC=Cc1cnc(c(c1)F)C(=O)OC 271570a_100016259895_100000695675 [0,2,0,0,0,0|2,0,0]=4 5338 B14R1.487 CC=Cc1cnc(c(c1)N)C(=O)OC 271570a_100016259895_100010090751 [0,2,0,0,0,0|2,0,0]=4 5339 B14R1.487 CC=Cc1cnc(c(c1)O)C(=O)OC 271570a_100016259895_100010071521 [0,2,0,0,0,0|2,0,0]=4 5340 B14R1.487 CCC(=O)c1ccc(cc1C)SCF 62a_100015361967_200012361375 [0,2,0,0,0,0|1,1,0]=4 5341 B14R1.487 CCC(=O)c1ccc(cc1C)SCF 62a_200012361375_100015361967 [0,2,0,0,0,0|1,1,0]=4 5342 B14R1.487 CCC(=O)c1ccc(cc1F)SCF 62a_100012360378_100015361967 [0,2,0,0,0,0|1,1,0]=4 5343 B14R1.487 CCC(=O)c1ccc(cc1F)SCF 62a_100015361967_100012360378 [0,2,0,0,0,0|1,1,0]=4 5344 B14R1.487 CCNc1cc(c(cn1)C(=O)OC)C 27a_100015525214_100009871181 [0,2,0,0,0,0|2,0,0]=4 5345 B14R1.487 CCNc1ccc(c(c1)Cl)C(=O)NC 34a_100000742945_100000210202 [0,2,0,0,0,0|2,0,0]=4 5346 B14R1.487 CCNc1ccc(c(c1)Cl)C(=O)NC 7a_100000742945_100000210202 [0,2,0,0,0,0|2,0,0]=4 5347 B14R1.487 CCNc1ccc(c(c1)F)C(=O)CC 27a_100015525214_100012360378 [0,2,0,0,0,0|2,0,0]=4 5348 B14R1.487 CCNc1ccc(c(c1)F)C(=O)NC 27a_100015525214_100000233932 [0,2,0,0,0,0|2,0,0]=4 5349 B14R1.487 CCNc1ccc(c(c1)F)C(=O)NC 34a_100011533607_100000210202 [0,2,0,0,0,0|2,0,0]=4 5350 B14R1.487 CCNc1ccc(c(c1)F)C(=O)NC 7a_100011533607_100000210202 [0,2,0,0,0,0|2,0,0]=4 5351 B14R1.487 CCNc1ccc(c(c1)O)C(=O)NC 34a_100000223174_100000210202 [0,2,0,0,0,0|2,0,0]=4 5352 B14R1.487 CCNc1ccc(c(n1)C)C(=O)OC 27a_100015525214_100000692007 [0,2,0,0,0,0|2,0,0]=4 5353 B14R1.487 CCOc1ccc(c(c1)Br)C(=O)OC 34a_100010150825_100000210202 [0,2,0,0,0,0|0,0,0]=2 5354 B14R1.487 CCOc1ccc(c(c1)Br)C(=O)OC 7a_100010150825_100000210202 [0,2,0,0,0,0|0,0,0]=2 5355 B14R1.487 CCOc1ccc(c(c1)C)C(=O)CC 1458a_200012183785_100000210202 [0,2,0,0,0,0|1,0,0]=3 5356 B14R1.487 CCOc1ccc(c(c1)C)C(=O)CF 1458a_200012183785_100015361967 [0,2,0,0,0,0|2,0,0]=4 5357 B14R1.487 CCOc1ccc(c(c1)C)C(=O)NC 11a_106832991635_200012183785 [0,2,0,0,0,0|1,0,0]=3 5358 B14R1.487 CCOc1ccc(c(c1)C)C(=O)NC 1626a_100102657272_200012183785 [0,2,0,0,0,0|1,0,0]=3 5359 B14R1.487 CCOc1ccc(c(c1)C)C(=O)NC 240690a_100102657272_200012183785 [0,2,0,0,0,0|1,0,0]=3 5360 B14R1.487 CCOc1ccc(c(c1)C)C(=O)NC 527a_100102657272_200012183785 [0,2,0,0,0,0|1,0,0]=3 5361 B14R1.487 CCOc1ccc(c(c1)C)C(=O)OC 34a_100012000157_100000210202 [0,2,0,0,0,0|0,0,0]=2 5362 B14R1.487 CCOc1ccc(c(c1)C)C(=O)OC 7a_100012000157_100000210202 [0,2,0,0,0,0|0,0,0]=2 5363 B14R1.487 CCOc1ccc(c(c1)Cl)C(=O)OC 34a_100000081488_100000210202 [0,2,0,0,0,0|0,0,0]=2 5364 B14R1.487 CCOc1ccc(c(c1)Cl)C(=O)OC 7a_100000081488_100000210202 [0,2,0,0,0,0|0,0,0]=2 5365 B14R1.487 CCOc1ccc(c(c1)F)C(=O)CC 1458a_100012184274_100000210202 [0,2,0,0,0,0|1,0,0]=3 5366 B14R1.487 CCOc1ccc(c(c1)F)C(=O)CF 1458a_100012184274_100015361967 [0,2,0,0,0,0|2,0,0]=4 5367 B14R1.487 CCOc1ccc(c(c1)F)C(=O)NC 11a_106832991635_100012184274 [0,2,0,0,0,0|1,0,0]=3 5368 B14R1.487 CCOc1ccc(c(c1)F)C(=O)NC 1626a_100102657272_100012184274 [0,2,0,0,0,0|1,0,0]=3 5369 B14R1.487 CCOc1ccc(c(c1)F)C(=O)NC 240690a_100102657272_100012184274 [0,2,0,0,0,0|1,0,0]=3 5370 B14R1.487 CCOc1ccc(c(c1)F)C(=O)NC 527a_100102657272_100012184274 [0,2,0,0,0,0|1,0,0]=3 5371 B14R1.487 CCOc1ccc(c(c1)F)C(=O)OC 34a_100011999631_100000210202 [0,2,0,0,0,0|0,0,0]=2 5372 B14R1.487 CCOc1ccc(c(c1)F)C(=O)OC 7a_100011999631_100000210202 [0,2,0,0,0,0|0,0,0]=2 5373 B14R1.487 CCOc1ccc(c(c1)N)C(=O)OC 34a_100000701581_100000210202 [0,2,0,0,0,0|0,0,0]=2 5374 B14R1.487 CCOc1ccc(c(c1)N)C(=O)OC 7a_100000701581_100000210202 [0,2,0,0,0,0|0,0,0]=2 5375 B14R1.487 CCOc1ccc(c(c1)O)C(=O)CC 1458a_200000049073_100000210202 [0,2,0,0,0,0|1,0,0]=3 5376 B14R1.487 CCOc1ccc(c(c1)O)C(=O)CF 1458a_200000049073_100015361967 [0,2,0,0,0,0|2,0,0]=4 5377 B14R1.487 CCOc1ccc(c(c1)O)C(=O)NC 240690a_100102657272_200000049073 [0,2,0,0,0,0|1,0,0]=3 5378 B14R1.487 CCOc1ccc(c(c1)O)C(=O)NC 527a_100102657272_200000049073 [0,2,0,0,0,0|1,0,0]=3 5379 B14R1.487 CCOc1cnc(c(c1)Cl)C(=O)OC 34a_100009855505_100000210202 [0,2,0,0,0,0|1,0,0]=3 5380 B14R1.487 CCOc1cnc(c(c1)Cl)C(=O)OC 7a_100009855505_100000210202 [0,2,0,0,0,0|1,0,0]=3 5381 B14R1.487 CCSc1cc(c(cn1)C(=O)OC)C 62a_100000210202_100009871181 [0,2,0,0,0,0|1,1,0]=4 5382 B14R1.487 CCSc1cc(c(cn1)C(=O)OC)C 62a_100009871181_100000210202 [0,2,0,0,0,0|1,1,0]=4 5383 B14R1.487 CCSc1cc(c(cn1)C(=O)OC)N 62a_100000210202_100009862510 [0,2,0,0,0,0|1,1,0]=4 5384 B14R1.487 CCSc1cc(c(cn1)C(=O)OC)N 62a_100009862510_100000210202 [0,2,0,0,0,0|1,1,0]=4 5385 B14R1.487 CCSc1ccc(c(c1)Br)C(=O)OC 62a_100000210202_100010247156 [0,2,0,0,0,0|0,1,0]=3 5386 B14R1.487 CCSc1ccc(c(c1)Br)C(=O)OC 62a_100010247156_100000210202 [0,2,0,0,0,0|0,1,0]=3 5387 B14R1.487 CCSc1ccc(c(c1)C)C(=O)CC 62a_100000210202_200012361375 [0,2,0,0,0,0|1,1,0]=4 5388 B14R1.487 CCSc1ccc(c(c1)C)C(=O)CC 62a_200012361375_100000210202 [0,2,0,0,0,0|1,1,0]=4 5389 B14R1.487 CCSc1ccc(c(c1)C)C(=O)OC 62a_100000210202_100000747612 [0,2,0,0,0,0|0,1,0]=3 5390 B14R1.487 CCSc1ccc(c(c1)C)C(=O)OC 62a_100000747612_100000210202 [0,2,0,0,0,0|0,1,0]=3 5391 B14R1.487 CCSc1ccc(c(c1)Cl)C(=O)OC 62a_100000060724_100000210202 [0,2,0,0,0,0|0,1,0]=3 5392 B14R1.487 CCSc1ccc(c(c1)Cl)C(=O)OC 62a_100000210202_100000060724 [0,2,0,0,0,0|0,1,0]=3 5393 B14R1.487 CCSc1ccc(c(c1)F)C(=O)CC 62a_100000210202_100012360378 [0,2,0,0,0,0|1,1,0]=4 5394 B14R1.487 CCSc1ccc(c(c1)F)C(=O)CC 62a_100012360378_100000210202 [0,2,0,0,0,0|1,1,0]=4 5395 B14R1.487 CCSc1ccc(c(c1)F)C(=O)NC 62a_100000210202_100000233932 [0,2,0,0,0,0|1,1,0]=4 5396 B14R1.487 CCSc1ccc(c(c1)F)C(=O)NC 62a_100000233932_100000210202 [0,2,0,0,0,0|1,1,0]=4 5397 B14R1.487 CCSc1ccc(c(c1)F)C(=O)OC 62a_100000210202_100000216654 [0,2,0,0,0,0|0,1,0]=3 5398 B14R1.487 CCSc1ccc(c(c1)F)C(=O)OC 62a_100000216654_100000210202 [0,2,0,0,0,0|0,1,0]=3 5399 B14R1.487 CCSc1ccc(c(c1)N)C(=O)OC 62a_100011373473_100000210202 [0,2,0,0,0,0|0,1,0]=3 5400 B14R1.487 CCSc1ccc(c(c1)O)C(=O)OC 62a_100000210202_100000062286 [0,2,0,0,0,0|0,1,0]=3 5401 B14R1.487 CCSc1ccc(c(n1)C)C(=O)OC 62a_100000210202_100000692007 [0,2,0,0,0,0|1,1,0]=4 5402 B14R1.487 CCSc1ccc(c(n1)C)C(=O)OC 62a_100000692007_100000210202 [0,2,0,0,0,0|1,1,0]=4 5403 B14R1.487 CCSc1ccc(c(n1)F)C(=O)OC 62a_100000210202_100010189635 [0,2,0,0,0,0|1,1,0]=4 5404 B14R1.487 CCSc1ccc(c(n1)F)C(=O)OC 62a_100010189635_100000210202 [0,2,0,0,0,0|1,1,0]=4 5405 B14R1.487 CCSc1ccc(c(n1)N)C(=O)OC 62a_100000142702_100000210202 [0,2,0,0,0,0|1,1,0]=4 5406 B14R1.487 CCSc1cnc(c(c1)C)C(=O)OC 62a_100000210202_100010178714 [0,2,0,0,0,0|1,1,0]=4 5407 B14R1.487 CCSc1cnc(c(c1)C)C(=O)OC 62a_100010178714_100000210202 [0,2,0,0,0,0|1,1,0]=4 5408 B14R1.487 CCSc1cnc(c(c1)F)C(=O)OC 62a_100000210202_100000695675 [0,2,0,0,0,0|1,1,0]=4 5409 B14R1.487 CCSc1cnc(c(c1)F)C(=O)OC 62a_100000695675_100000210202 [0,2,0,0,0,0|1,1,0]=4 5410 B14R1.487 CCSc1cnc(c(c1)N)C(=O)OC 62a_100000210202_100010090751 [0,2,0,0,0,0|1,1,0]=4 5411 B14R1.487 CCSc1cnc(c(c1)N)C(=O)OC 62a_100010090751_100000210202 [0,2,0,0,0,0|1,1,0]=4 5412 B14R1.487 CCSc1cnc(c(c1)O)C(=O)OC 62a_100000210202_100010071521 [0,2,0,0,0,0|1,1,0]=4 5413 B14R1.487 CNC(=O)c1ccc(cc1Cl)NCF 34a_100000742945_100015361967 [0,2,0,0,0,0|2,0,0]=4 5414 B14R1.487 CNC(=O)c1ccc(cc1Cl)NCF 7a_100000742945_100015361967 [0,2,0,0,0,0|2,0,0]=4 5415 B14R1.487 CNC(=O)c1ccc(cc1F)NCF 34a_100011533607_100015361967 [0,2,0,0,0,0|2,0,0]=4 5416 B14R1.487 CNC(=O)c1ccc(cc1F)NCF 7a_100011533607_100015361967 [0,2,0,0,0,0|2,0,0]=4 5417 B14R1.487 CNC(=O)c1ccc(cc1F)SCF 62a_100000233932_100015361967 [0,2,0,0,0,0|1,1,0]=4 5418 B14R1.487 CNC(=O)c1ccc(cc1F)SCF 62a_100015361967_100000233932 [0,2,0,0,0,0|1,1,0]=4 5419 B14R1.487 CNC(=O)c1ccc(cc1O)NCF 34a_100000223174_100015361967 [0,2,0,0,0,0|2,0,0]=4 5420 B14R1.487 CNCc1ccc(c(c1)Br)C(=O)OC 2230a_106832991635_100012340598 [0,2,0,0,0,0|1,0,0]=3 5421 B14R1.487 CNCc1ccc(c(c1)Br)C(=O)OC 26a_100102657272_100010150825 [0,2,0,0,0,0|1,0,0]=3 5422 B14R1.487 CNCc1ccc(c(c1)Br)C(=O)OC 34a_100102657272_100012340598 [0,2,0,0,0,0|1,0,0]=3 5423 B14R1.487 CNCc1ccc(c(c1)Br)C(=O)OC 7a_106832991635_100012340598 [0,2,0,0,0,0|1,0,0]=3 5424 B14R1.487 CNCc1ccc(c(c1)C)C(=O)OC 2230a_106832991635_100010991300 [0,2,0,0,0,0|1,0,0]=3 5425 B14R1.487 CNCc1ccc(c(c1)C)C(=O)OC 270004a_106832991635_100010370968 [0,2,0,0,0,0|1,0,0]=3 5426 B14R1.487 CNCc1ccc(c(c1)C)C(=O)OC 34a_100102657272_100010991300 [0,2,0,0,0,0|1,0,0]=3 5427 B14R1.487 CNCc1ccc(c(c1)C)C(=O)OC 7a_106832991635_100010991300 [0,2,0,0,0,0|1,0,0]=3 5428 B14R1.487 CNCc1ccc(c(c1)Cl)C(=O)OC 2230a_106832991635_100010128985 [0,2,0,0,0,0|1,0,0]=3 5429 B14R1.487 CNCc1ccc(c(c1)Cl)C(=O)OC 270004a_106832991635_100010630601 [0,2,0,0,0,0|1,0,0]=3 5430 B14R1.487 CNCc1ccc(c(c1)Cl)C(=O)OC 34a_100102657272_100010128985 [0,2,0,0,0,0|1,0,0]=3 5431 B14R1.487 CNCc1ccc(c(c1)Cl)C(=O)OC 7a_106832991635_100010128985 [0,2,0,0,0,0|1,0,0]=3 5432 B14R1.487 CNCc1ccc(c(c1)F)C(=O)OC 2230a_106832991635_100000686969 [0,2,0,0,0,0|1,0,0]=3 5433 B14R1.487 CNCc1ccc(c(c1)F)C(=O)OC 270004a_106832991635_100012457946 [0,2,0,0,0,0|1,0,0]=3 5434 B14R1.487 CNCc1ccc(c(c1)F)C(=O)OC 34a_100102657272_100000686969 [0,2,0,0,0,0|1,0,0]=3 5435 B14R1.487 CNCc1ccc(c(c1)F)C(=O)OC 7a_106832991635_100000686969 [0,2,0,0,0,0|1,0,0]=3 5436 B14R1.487 COC(=O)c1ccc(cc1Br)CSC 62a_100012340598_200000210301 [0,2,0,0,0,0|0,1,0]=3 5437 B14R1.487 COC(=O)c1ccc(cc1Br)CSC 62a_200000210301_100012340598 [0,2,0,0,0,0|0,1,0]=3 5438 B14R1.487 COC(=O)c1ccc(cc1Br)CS[13CH3] 62a_100012340598_200025704644 [0,2,0,0,0,0|0,1,0]=3 5439 B14R1.487 COC(=O)c1ccc(cc1Br)CS[13CH3] 62a_200025704644_100012340598 [0,2,0,0,0,0|0,1,0]=3 5440 B14R1.487 COC(=O)c1ccc(cc1Br)OCF 34a_100010150825_100015361967 [0,2,0,0,0,0|0,0,0]=2 5441 B14R1.487 COC(=O)c1ccc(cc1Br)OCF 7a_100010150825_100015361967 [0,2,0,0,0,0|0,0,0]=2 5442 B14R1.487 COC(=O)c1ccc(cc1Br)SCF 62a_100010247156_100015361967 [0,2,0,0,0,0|0,1,0]=3 5443 B14R1.487 COC(=O)c1ccc(cc1Br)SCF 62a_100015361967_100010247156 [0,2,0,0,0,0|0,1,0]=3 5444 B14R1.487 COC(=O)c1ccc(cc1C)CSC 62a_100010991300_200000210301 [0,2,0,0,0,0|0,1,0]=3 5445 B14R1.487 COC(=O)c1ccc(cc1C)CSC 62a_200000210301_100010991300 [0,2,0,0,0,0|0,1,0]=3 5446 B14R1.487 COC(=O)c1ccc(cc1C)CS[13CH3] 62a_100010991300_200025704644 [0,2,0,0,0,0|0,1,0]=3 5447 B14R1.487 COC(=O)c1ccc(cc1C)CS[13CH3] 62a_200025704644_100010991300 [0,2,0,0,0,0|0,1,0]=3 5448 B14R1.487 COC(=O)c1ccc(cc1C)OCF 34a_100012000157_100015361967 [0,2,0,0,0,0|0,0,0]=2 5449 B14R1.487 COC(=O)c1ccc(cc1C)OCF 7a_100012000157_100015361967 [0,2,0,0,0,0|0,0,0]=2 5450 B14R1.487 COC(=O)c1ccc(cc1C)SCF 62a_100000747612_100015361967 [0,2,0,0,0,0|0,1,0]=3 5451 B14R1.487 COC(=O)c1ccc(cc1C)SCF 62a_100015361967_100000747612 [0,2,0,0,0,0|0,1,0]=3 5452 B14R1.487 COC(=O)c1ccc(cc1Cl)CSC 62a_100010128985_200000210301 [0,2,0,0,0,0|0,1,0]=3 5453 B14R1.487 COC(=O)c1ccc(cc1Cl)CSC 62a_200000210301_100010128985 [0,2,0,0,0,0|0,1,0]=3 5454 B14R1.487 COC(=O)c1ccc(cc1Cl)CS[13CH3] 62a_100010128985_200025704644 [0,2,0,0,0,0|0,1,0]=3 5455 B14R1.487 COC(=O)c1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100010128985 [0,2,0,0,0,0|0,1,0]=3 5456 B14R1.487 COC(=O)c1ccc(cc1Cl)OCF 34a_100000081488_100015361967 [0,2,0,0,0,0|0,0,0]=2 5457 B14R1.487 COC(=O)c1ccc(cc1Cl)OCF 7a_100000081488_100015361967 [0,2,0,0,0,0|0,0,0]=2 5458 B14R1.487 COC(=O)c1ccc(cc1Cl)SCF 62a_100000060724_100015361967 [0,2,0,0,0,0|0,1,0]=3 5459 B14R1.487 COC(=O)c1ccc(cc1Cl)SCF 62a_100015361967_100000060724 [0,2,0,0,0,0|0,1,0]=3 5460 B14R1.487 COC(=O)c1ccc(cc1F)CO[13CH3] 34a_100012183857_200025704644 [0,2,0,0,0,0|0,0,0]=2 5461 B14R1.487 COC(=O)c1ccc(cc1F)CO[13CH3] 7a_100012183857_200025704644 [0,2,0,0,0,0|0,0,0]=2 5462 B14R1.487 COC(=O)c1ccc(cc1F)CSC 62a_100000686969_200000210301 [0,2,0,0,0,0|0,1,0]=3 5463 B14R1.487 COC(=O)c1ccc(cc1F)CSC 62a_200000210301_100000686969 [0,2,0,0,0,0|0,1,0]=3 5464 B14R1.487 COC(=O)c1ccc(cc1F)CS[13CH3] 62a_100000686969_200025704644 [0,2,0,0,0,0|0,1,0]=3 5465 B14R1.487 COC(=O)c1ccc(cc1F)CS[13CH3] 62a_200025704644_100000686969 [0,2,0,0,0,0|0,1,0]=3 5466 B14R1.487 COC(=O)c1ccc(cc1F)OCF 34a_100011999631_100015361967 [0,2,0,0,0,0|0,0,0]=2 5467 B14R1.487 COC(=O)c1ccc(cc1F)OCF 7a_100011999631_100015361967 [0,2,0,0,0,0|0,0,0]=2 5468 B14R1.487 COC(=O)c1ccc(cc1F)SCF 62a_100000216654_100015361967 [0,2,0,0,0,0|0,1,0]=3 5469 B14R1.487 COC(=O)c1ccc(cc1F)SCF 62a_100015361967_100000216654 [0,2,0,0,0,0|0,1,0]=3 5470 B14R1.487 COC(=O)c1ccc(cc1N)OCF 34a_100000701581_100015361967 [0,2,0,0,0,0|0,0,0]=2 5471 B14R1.487 COC(=O)c1ccc(cc1N)OCF 7a_100000701581_100015361967 [0,2,0,0,0,0|0,0,0]=2 5472 B14R1.487 COC(=O)c1ccc(cc1N)SCF 62a_100011373473_100015361967 [0,2,0,0,0,0|0,1,0]=3 5473 B14R1.487 COC(=O)c1ccc(cc1O)SCF 62a_100015361967_100000062286 [0,2,0,0,0,0|0,1,0]=3 5474 B14R1.487 COC(=O)c1ccc(nc1C)SCF 62a_100000692007_100015361967 [0,2,0,0,0,0|1,1,0]=4 5475 B14R1.487 COC(=O)c1ccc(nc1C)SCF 62a_100015361967_100000692007 [0,2,0,0,0,0|1,1,0]=4 5476 B14R1.487 COC(=O)c1ccc(nc1F)SCF 62a_100010189635_100015361967 [0,2,0,0,0,0|1,1,0]=4 5477 B14R1.487 COC(=O)c1ccc(nc1F)SCF 62a_100015361967_100010189635 [0,2,0,0,0,0|1,1,0]=4 5478 B14R1.487 COC(=O)c1ccc(nc1N)SCF 62a_100000142702_100015361967 [0,2,0,0,0,0|1,1,0]=4 5479 B14R1.487 COC(=O)c1cnc(cc1C)SCF 62a_100009871181_100015361967 [0,2,0,0,0,0|1,1,0]=4 5480 B14R1.487 COC(=O)c1cnc(cc1C)SCF 62a_100015361967_100009871181 [0,2,0,0,0,0|1,1,0]=4 5481 B14R1.487 COC(=O)c1cnc(cc1N)SCF 62a_100009862510_100015361967 [0,2,0,0,0,0|1,1,0]=4 5482 B14R1.487 COC(=O)c1cnc(cc1N)SCF 62a_100015361967_100009862510 [0,2,0,0,0,0|1,1,0]=4 5483 B14R1.487 COC(=O)c1ncc(cc1C)SCF 62a_100010178714_100015361967 [0,2,0,0,0,0|1,1,0]=4 5484 B14R1.487 COC(=O)c1ncc(cc1C)SCF 62a_100015361967_100010178714 [0,2,0,0,0,0|1,1,0]=4 5485 B14R1.487 COC(=O)c1ncc(cc1Cl)OCF 34a_100009855505_100015361967 [0,2,0,0,0,0|1,0,0]=3 5486 B14R1.487 COC(=O)c1ncc(cc1Cl)OCF 7a_100009855505_100015361967 [0,2,0,0,0,0|1,0,0]=3 5487 B14R1.487 COC(=O)c1ncc(cc1F)SCF 62a_100000695675_100015361967 [0,2,0,0,0,0|1,1,0]=4 5488 B14R1.487 COC(=O)c1ncc(cc1F)SCF 62a_100015361967_100000695675 [0,2,0,0,0,0|1,1,0]=4 5489 B14R1.487 COC(=O)c1ncc(cc1N)SCF 62a_100010090751_100015361967 [0,2,0,0,0,0|1,1,0]=4 5490 B14R1.487 COC(=O)c1ncc(cc1N)SCF 62a_100015361967_100010090751 [0,2,0,0,0,0|1,1,0]=4 5491 B14R1.487 COC(=O)c1ncc(cc1O)SCF 62a_100015361967_100010071521 [0,2,0,0,0,0|1,1,0]=4 5492 B14R1.487 COCc1ccc(c(c1)Br)C(=O)OC 34a_100138415774_100012340598 [0,2,0,0,0,0|0,0,0]=2 5493 B14R1.487 COCc1ccc(c(c1)C)C(=O)OC 34a_100138415774_100010991300 [0,2,0,0,0,0|0,0,0]=2 5494 B14R1.487 COCc1ccc(c(c1)Cl)C(=O)OC 34a_100138415774_100010128985 [0,2,0,0,0,0|0,0,0]=2 5495 B14R1.487 COCc1ccc(c(c1)F)C(=O)OC 34a_100012183857_200000210301 [0,2,0,0,0,0|0,0,0]=2 5496 B14R1.487 COCc1ccc(c(c1)F)C(=O)OC 34a_100138415774_100000686969 [0,2,0,0,0,0|0,0,0]=2 5497 B14R1.487 COCc1ccc(c(c1)F)C(=O)OC 7a_100012183857_200000210301 [0,2,0,0,0,0|0,0,0]=2 5498 B14R1.579 C=Cc1cc(c(c(c1)C)C(=O)OC)C 271570a_100011290941_100009831683 [0,2,0,0,0,0|1,0,1]=4 5499 B14R1.579 C=Cc1cc(c(c(c1)F)C(=O)OC)C 271570a_100011290941_100010761470 [0,2,0,0,0,0|1,0,1]=4 5500 B14R1.579 C=Cc1cc(c(c(c1)F)C(=O)OC)F 271570a_100011290941_100012350779 [0,2,0,0,0,0|1,0,1]=4 5501 B14R1.579 C=Cc1cc(c(c(c1)F)C(=O)OC)N 271570a_100011290941_100015466354 [0,2,0,0,0,0|1,0,1]=4 5502 B14R1.579 C=Cc1cc(c(c(c1)F)C(=O)OC)O 271570a_100011290941_100010889199 [0,2,0,0,0,0|1,0,1]=4 5503 B14R1.579 CCC(=O)c1c(cc(cc1C)OC)C 1458a_100000077298_100000210202 [0,2,0,0,0,0|1,0,0]=3 5504 B14R1.579 CCC(=O)c1c(cc(cc1F)OC)F 1458a_100011216705_100000210202 [0,2,0,0,0,0|1,0,0]=3 5505 B14R1.579 CNC(=O)c1c(cc(cc1C)OC)C 11a_106832991635_100000077298 [0,2,0,0,0,0|1,0,0]=3 5506 B14R1.579 CNC(=O)c1c(cc(cc1C)OC)C 1626a_100102657272_100000077298 [0,2,0,0,0,0|1,0,0]=3 5507 B14R1.579 CNC(=O)c1c(cc(cc1C)OC)C 240690a_100102657272_100000077298 [0,2,0,0,0,0|1,0,0]=3 5508 B14R1.579 CNC(=O)c1c(cc(cc1F)OC)F 11a_106832991635_100011216705 [0,2,0,0,0,0|1,0,0]=3 5509 B14R1.579 CNC(=O)c1c(cc(cc1F)OC)F 1626a_100102657272_100011216705 [0,2,0,0,0,0|1,0,0]=3 5510 B14R1.579 CNC(=O)c1c(cc(cc1F)OC)F 240690a_100102657272_100011216705 [0,2,0,0,0,0|1,0,0]=3 5511 B14R1.579 CNC(=O)c1c(cc(cc1F)OC)F 527a_100102657272_100011216705 [0,2,0,0,0,0|1,0,0]=3 5512 B14R1.579 CNc1cc(c(c(n1)C)C(=O)OC)C 27a_100102657272_100009881562 [0,2,0,0,0,0|2,0,0]=4 5513 B14R1.579 COC(=O)c1c(cc(cc1C)OC)C 34a_100009884286_200000210301 [0,2,0,0,0,0|0,0,0]=2 5514 B14R1.579 COC(=O)c1c(cc(cc1C)OC)C 7a_100009884286_200000210301 [0,2,0,0,0,0|0,0,0]=2 5515 B14R1.579 COC(=O)c1c(cc(cc1C)O[13CH3])C 34a_100009884286_200025704644 [0,2,0,0,0,0|0,0,0]=2 5516 B14R1.579 COC(=O)c1c(cc(cc1C)O[13CH3])C 7a_100009884286_200025704644 [0,2,0,0,0,0|0,0,0]=2 5517 B14R1.579 COC(=O)c1c(cc(cc1C)SC)C 62a_100009831683_200000210301 [0,2,0,0,0,0|0,1,0]=3 5518 B14R1.579 COC(=O)c1c(cc(cc1C)SC)C 62a_200000210301_100009831683 [0,2,0,0,0,0|0,1,0]=3 5519 B14R1.579 COC(=O)c1c(cc(cc1C)S[13CH3])C 62a_100009831683_200025704644 [0,2,0,0,0,0|0,1,0]=3 5520 B14R1.579 COC(=O)c1c(cc(cc1C)S[13CH3])C 62a_200025704644_100009831683 [0,2,0,0,0,0|0,1,0]=3 5521 B14R1.579 COC(=O)c1c(cc(cc1F)OC)F 34a_100000101002_200000210301 [0,2,0,0,0,0|0,0,0]=2 5522 B14R1.579 COC(=O)c1c(cc(cc1F)OC)F 7a_100000101002_200000210301 [0,2,0,0,0,0|0,0,0]=2 5523 B14R1.579 COC(=O)c1c(cc(cc1F)O[13CH3])F 34a_100000101002_200025704644 [0,2,0,0,0,0|0,0,0]=2 5524 B14R1.579 COC(=O)c1c(cc(cc1F)O[13CH3])F 7a_100000101002_200025704644 [0,2,0,0,0,0|0,0,0]=2 5525 B14R1.579 COC(=O)c1c(cc(cc1F)SC)C 62a_100010761470_200000210301 [0,2,0,0,0,0|0,1,0]=3 5526 B14R1.579 COC(=O)c1c(cc(cc1F)SC)C 62a_200000210301_100010761470 [0,2,0,0,0,0|0,1,0]=3 5527 B14R1.579 COC(=O)c1c(cc(cc1F)SC)F 62a_100012350779_200000210301 [0,2,0,0,0,0|0,1,0]=3 5528 B14R1.579 COC(=O)c1c(cc(cc1F)SC)F 62a_200000210301_100012350779 [0,2,0,0,0,0|0,1,0]=3 5529 B14R1.579 COC(=O)c1c(cc(cc1F)SC)N 62a_100015466354_200000210301 [0,2,0,0,0,0|0,1,0]=3 5530 B14R1.579 COC(=O)c1c(cc(cc1F)SC)O 62a_200000210301_100010889199 [0,2,0,0,0,0|0,1,0]=3 5531 B14R1.579 COC(=O)c1c(cc(cc1F)S[13CH3])C 62a_100010761470_200025704644 [0,2,0,0,0,0|0,1,0]=3 5532 B14R1.579 COC(=O)c1c(cc(cc1F)S[13CH3])C 62a_200025704644_100010761470 [0,2,0,0,0,0|0,1,0]=3 5533 B14R1.579 COC(=O)c1c(cc(cc1F)S[13CH3])F 62a_100012350779_200025704644 [0,2,0,0,0,0|0,1,0]=3 5534 B14R1.579 COC(=O)c1c(cc(cc1F)S[13CH3])F 62a_200025704644_100012350779 [0,2,0,0,0,0|0,1,0]=3 5535 B14R1.579 COC(=O)c1c(cc(cc1F)S[13CH3])N 62a_100015466354_200025704644 [0,2,0,0,0,0|0,1,0]=3 5536 B14R1.579 COC(=O)c1c(cc(cc1F)S[13CH3])O 62a_200025704644_100010889199 [0,2,0,0,0,0|0,1,0]=3 5537 B14R1.579 COC(=O)c1c(cc(nc1C)SC)C 62a_100009881562_200000210301 [0,2,0,0,0,0|1,1,0]=4 5538 B14R1.579 COC(=O)c1c(cc(nc1C)SC)C 62a_200000210301_100009881562 [0,2,0,0,0,0|1,1,0]=4 5539 B14R1.579 COC(=O)c1c(cc(nc1C)S[13CH3])C 62a_100009881562_200025704644 [0,2,0,0,0,0|1,1,0]=4 5540 B14R1.579 COC(=O)c1c(cc(nc1C)S[13CH3])C 62a_200025704644_100009881562 [0,2,0,0,0,0|1,1,0]=4 5541 B14R1.579 COc1cc(c(c(c1)C)C(=O)CF)C 1458a_100000077298_100015361967 [0,2,0,0,0,0|2,0,0]=4 5542 B14R1.579 COc1cc(c(c(c1)F)C(=O)CF)F 1458a_100011216705_100015361967 [0,2,0,0,0,0|2,0,0]=4 5543 B14R1.1128 C=C(C)c1cc(c(cn1)C(=O)OC)C 271570a_100000694244_100009871181 [0,2,0,0,0,0|2,0,0]=4 5544 B14R1.1128 C=C(C)c1cc(c(cn1)C(=O)OC)N 271570a_100000694244_100009862510 [0,2,0,0,0,0|2,0,0]=4 5545 B14R1.1128 C=C(C)c1ccc([n+](c1)[O-])C(=O)OC 271570a_100000694244_100015641791 [0,2,0,0,0,0|2,0,0]=4 5546 B14R1.1128 C=C(C)c1ccc(c(c1)Br)C(=O)OC 271570a_100000694244_100010247156 [0,2,0,0,0,0|1,0,0]=3 5547 B14R1.1128 C=C(C)c1ccc(c(c1)C)C(=O)CC 271570a_100000694244_200012361375 [0,2,0,0,0,0|2,0,0]=4 5548 B14R1.1128 C=C(C)c1ccc(c(c1)C)C(=O)OC 271570a_100000694244_100000747612 [0,2,0,0,0,0|1,0,0]=3 5549 B14R1.1128 C=C(C)c1ccc(c(c1)Cl)C(=O)OC 271570a_100000694244_100000060724 [0,2,0,0,0,0|1,0,0]=3 5550 B14R1.1128 C=C(C)c1ccc(c(c1)F)C(=O)CC 271570a_100000694244_100012360378 [0,2,0,0,0,0|2,0,0]=4 5551 B14R1.1128 C=C(C)c1ccc(c(c1)F)C(=O)NC 271570a_100000694244_100000233932 [0,2,0,0,0,0|2,0,0]=4 5552 B14R1.1128 C=C(C)c1ccc(c(c1)F)C(=O)OC 271570a_100000694244_100000216654 [0,2,0,0,0,0|1,0,0]=3 5553 B14R1.1128 C=C(C)c1ccc(c(c1)N)C(=O)OC 271570a_100000694244_100011373473 [0,2,0,0,0,0|1,0,0]=3 5554 B14R1.1128 C=C(C)c1ccc(c(c1)O)C(=O)OC 271570a_100000694244_100000062286 [0,2,0,0,0,0|1,0,0]=3 5555 B14R1.1128 C=C(C)c1ccc(c(n1)C)C(=O)OC 271570a_100000694244_100000692007 [0,2,0,0,0,0|2,0,0]=4 5556 B14R1.1128 C=C(C)c1ccc(c(n1)F)C(=O)OC 271570a_100000694244_100010189635 [0,2,0,0,0,0|2,0,0]=4 5557 B14R1.1128 C=C(C)c1ccc(c(n1)N)C(=O)OC 271570a_100000694244_100000142702 [0,2,0,0,0,0|2,0,0]=4 5558 B14R1.1128 C=C(C)c1ccc(c(n1)O)C(=O)OC 271570a_100000694244_100015962272 [0,2,0,0,0,0|2,0,0]=4 5559 B14R1.1128 C=C(C)c1cnc(c(c1)C)C(=O)OC 271570a_100000694244_100010178714 [0,2,0,0,0,0|2,0,0]=4 5560 B14R1.1128 C=C(C)c1cnc(c(c1)F)C(=O)OC 271570a_100000694244_100000695675 [0,2,0,0,0,0|2,0,0]=4 5561 B14R1.1128 C=C(C)c1cnc(c(c1)N)C(=O)OC 271570a_100000694244_100010090751 [0,2,0,0,0,0|2,0,0]=4 5562 B14R1.1128 C=C(C)c1cnc(c(c1)O)C(=O)OC 271570a_100000694244_100010071521 [0,2,0,0,0,0|2,0,0]=4 5563 B14R1.1128 CCC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_100000210202 [0,2,0,0,0,0|2,0,0]=4 5564 B14R1.1128 CCC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100012360378 [0,2,0,0,0,0|2,0,0]=4 5565 B14R1.1128 CCC(=O)c1ccc(cc1O)N(C)C 1458a_200000073653_100000210202 [0,2,0,0,0,0|2,0,0]=4 5566 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 11a_106832991635_100011941423 [0,2,0,0,0,0|2,0,0]=4 5567 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 1626a_100102657272_100011941423 [0,2,0,0,0,0|2,0,0]=4 5568 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 240690a_100102657272_100011941423 [0,2,0,0,0,0|2,0,0]=4 5569 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 527a_100102657272_100011941423 [0,2,0,0,0,0|2,0,0]=4 5570 B14R1.1128 CNC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100000233932 [0,2,0,0,0,0|2,0,0]=4 5571 B14R1.1128 CNC(=O)c1ccc(cc1O)N(C)C 240690a_100102657272_200000073653 [0,2,0,0,0,0|2,0,0]=4 5572 B14R1.1128 COC(=O)c1ccc(cc1Br)C(=O)C 1458a_200009992943_200000210301 [0,2,0,0,0,0|1,0,0]=3 5573 B14R1.1128 COC(=O)c1ccc(cc1Br)C(=O)[13CH3] 1458a_200009992943_200025704644 [0,2,0,0,0,0|1,0,0]=3 5574 B14R1.1128 COC(=O)c1ccc(cc1C)C(=O)C 1458a_100009860594_200000210301 [0,2,0,0,0,0|1,0,0]=3 5575 B14R1.1128 COC(=O)c1ccc(cc1C)C(=O)[13CH3] 1458a_100009860594_200025704644 [0,2,0,0,0,0|1,0,0]=3 5576 B14R1.1128 COC(=O)c1ccc(cc1Cl)C(=O)C 1458a_100009992935_200000210301 [0,2,0,0,0,0|1,0,0]=3 5577 B14R1.1128 COC(=O)c1ccc(cc1Cl)C(=O)[13CH3] 1458a_100009992935_200025704644 [0,2,0,0,0,0|1,0,0]=3 5578 B14R1.1128 COC(=O)c1ccc(cc1F)C(=O)C 1458a_100000690533_200000210301 [0,2,0,0,0,0|1,0,0]=3 5579 B14R1.1128 COC(=O)c1ccc(cc1F)C(=O)[13CH3] 1458a_100000690533_200025704644 [0,2,0,0,0,0|1,0,0]=3 5580 B14R1.1128 COC(=O)c1ccc(cc1I)C(=O)C 1458a_200010176111_200000210301 [0,2,0,0,0,0|1,0,0]=3 5581 B14R1.1128 COC(=O)c1ccc(cc1I)C(=O)[13CH3] 1458a_200010176111_200025704644 [0,2,0,0,0,0|1,0,0]=3 5582 B14R1.1128 COC(=O)c1ccc(cc1O)B(O)O 271570a_203496583355_100000068243 [0,2,0,0,0,0|2,0,0]=4 5583 B14R1.1128 COC(=O)c1ccc(cc1O)C(=O)C 1458a_100000704390_200000210301 [0,2,0,0,0,0|1,0,0]=3 5584 B14R1.1128 COC(=O)c1ccc(cc1O)C(=O)[13CH3] 1458a_100000704390_200025704644 [0,2,0,0,0,0|1,0,0]=3 5585 B14R1.1128 COC(=O)c1ccc(nc1C)N(C)C 27a_100102631434_100000692007 [0,2,0,0,0,0|2,0,0]=4 5586 B14R1.1128 COC(=O)c1cnc(cc1C)N(C)C 27a_100102631434_100009871181 [0,2,0,0,0,0|2,0,0]=4 5587 B14R1.2294 C=Cc1cc(c(cc1F)C(=O)OC)C 271570a_100011290941_100010291504 [0,2,0,0,0,0|1,0,1]=4 5588 B14R1.2294 C=Cc1cc(c(cc1F)C(=O)OC)F 271570a_100011290941_100010769226 [0,2,0,0,0,0|1,0,1]=4 5589 B14R1.2294 C=Cc1cc(c(cc1F)C(=O)OC)N 271570a_100011290941_100000724440 [0,2,0,0,0,0|1,0,1]=4 5590 B14R1.2294 C=Cc1cc(c(cc1F)C(=O)OC)O 271570a_100011290941_100010760826 [0,2,0,0,0,0|1,0,1]=4 5591 B14R1.2294 C=Cc1cc(c(cc1N)C(=O)OC)F 271570a_100011290941_100000760059 [0,2,0,0,0,0|1,0,1]=4 5592 B14R1.2294 CCC(=O)c1cc(c(cc1Br)OC)O 1458a_100010074811_100000210202 [0,2,0,0,0,0|1,0,0]=3 5593 B14R1.2294 CCC(=O)c1cc(c(cc1C)OC)Br 1458a_100010233827_100000210202 [0,2,0,0,0,0|1,0,0]=3 5594 B14R1.2294 CCC(=O)c1cc(c(cc1C)OC)C 1458a_100011996352_100000210202 [0,2,0,0,0,0|1,0,0]=3 5595 B14R1.2294 CCC(=O)c1cc(c(cc1F)OC)Br 1458a_100010270082_100000210202 [0,2,0,0,0,0|1,0,0]=3 5596 B14R1.2294 CCC(=O)c1cc(c(cc1F)OC)F 1458a_100009861218_100000210202 [0,2,0,0,0,0|1,0,0]=3 5597 B14R1.2294 CCC(=O)c1cc(c(cc1O)OC)Br 1458a_100009816734_100000210202 [0,2,0,0,0,0|1,0,0]=3 5598 B14R1.2294 CNC(=O)c1cc(c(cc1Br)OC)O 240690a_100102657272_100010074811 [0,2,0,0,0,0|1,0,0]=3 5599 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)Br 11a_106832991635_100010233827 [0,2,0,0,0,0|1,0,0]=3 5600 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)Br 1626a_100102657272_100010233827 [0,2,0,0,0,0|1,0,0]=3 5601 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)Br 240690a_100102657272_100010233827 [0,2,0,0,0,0|1,0,0]=3 5602 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)Br 527a_100102657272_100010233827 [0,2,0,0,0,0|1,0,0]=3 5603 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)C 11a_106832991635_100011996352 [0,2,0,0,0,0|1,0,0]=3 5604 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)C 1626a_100102657272_100011996352 [0,2,0,0,0,0|1,0,0]=3 5605 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)C 240690a_100102657272_100011996352 [0,2,0,0,0,0|1,0,0]=3 5606 B14R1.2294 CNC(=O)c1cc(c(cc1C)OC)C 527a_100102657272_100011996352 [0,2,0,0,0,0|1,0,0]=3 5607 B14R1.2294 CNC(=O)c1cc(c(cc1F)NC)F 27a_100102657272_200107972064 [0,2,0,0,0,0|2,0,0]=4 5608 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)Br 11a_106832991635_100010270082 [0,2,0,0,0,0|1,0,0]=3 5609 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)Br 1626a_100102657272_100010270082 [0,2,0,0,0,0|1,0,0]=3 5610 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)Br 240690a_100102657272_100010270082 [0,2,0,0,0,0|1,0,0]=3 5611 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)Br 527a_100102657272_100010270082 [0,2,0,0,0,0|1,0,0]=3 5612 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)F 11a_106832991635_100009861218 [0,2,0,0,0,0|1,0,0]=3 5613 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)F 1626a_100102657272_100009861218 [0,2,0,0,0,0|1,0,0]=3 5614 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)F 240690a_100102657272_100009861218 [0,2,0,0,0,0|1,0,0]=3 5615 B14R1.2294 CNC(=O)c1cc(c(cc1F)OC)F 527a_100102657272_100009861218 [0,2,0,0,0,0|1,0,0]=3 5616 B14R1.2294 CNC(=O)c1cc(c(cc1F)SC)F 62a_200000210301_200107972064 [0,2,0,0,0,0|1,1,0]=4 5617 B14R1.2294 CNC(=O)c1cc(c(cc1F)SC)F 62a_200107972064_200000210301 [0,2,0,0,0,0|1,1,0]=4 5618 B14R1.2294 CNC(=O)c1cc(c(cc1F)S[13CH3])F 62a_200025704644_200107972064 [0,2,0,0,0,0|1,1,0]=4 5619 B14R1.2294 CNC(=O)c1cc(c(cc1F)S[13CH3])F 62a_200107972064_200025704644 [0,2,0,0,0,0|1,1,0]=4 5620 B14R1.2294 CNC(=O)c1cc(c(cc1O)OC)Br 240690a_100102657272_100009816734 [0,2,0,0,0,0|1,0,0]=3 5621 B14R1.2294 CNC(=O)c1cc(c(cc1O)OC)Br 527a_100102657272_100009816734 [0,2,0,0,0,0|1,0,0]=3 5622 B14R1.2294 COC(=O)c1cc(c(cc1C)OC)O 271570a_203496583355_100010236281 [0,2,0,0,0,0|0,0,0]=2 5623 B14R1.2294 COC(=O)c1cc(c(cc1C)SC)F 62a_100010291504_200000210301 [0,2,0,0,0,0|0,1,0]=3 5624 B14R1.2294 COC(=O)c1cc(c(cc1C)SC)F 62a_200000210301_100010291504 [0,2,0,0,0,0|0,1,0]=3 5625 B14R1.2294 COC(=O)c1cc(c(cc1C)S[13CH3])F 62a_100010291504_200025704644 [0,2,0,0,0,0|0,1,0]=3 5626 B14R1.2294 COC(=O)c1cc(c(cc1C)S[13CH3])F 62a_200025704644_100010291504 [0,2,0,0,0,0|0,1,0]=3 5627 B14R1.2294 COC(=O)c1cc(c(cc1F)OC)Cl 34a_100010366841_200000210301 [0,2,0,0,0,0|0,0,0]=2 5628 B14R1.2294 COC(=O)c1cc(c(cc1F)OC)Cl 7a_100010366841_200000210301 [0,2,0,0,0,0|0,0,0]=2 5629 B14R1.2294 COC(=O)c1cc(c(cc1F)OC)O 271570a_203496583355_100015648668 [0,2,0,0,0,0|0,0,0]=2 5630 B14R1.2294 COC(=O)c1cc(c(cc1F)O[13CH3])Cl 34a_100010366841_200025704644 [0,2,0,0,0,0|0,0,0]=2 5631 B14R1.2294 COC(=O)c1cc(c(cc1F)O[13CH3])Cl 7a_100010366841_200025704644 [0,2,0,0,0,0|0,0,0]=2 5632 B14R1.2294 COC(=O)c1cc(c(cc1F)SC)F 62a_100010769226_200000210301 [0,2,0,0,0,0|0,1,0]=3 5633 B14R1.2294 COC(=O)c1cc(c(cc1F)SC)F 62a_200000210301_100010769226 [0,2,0,0,0,0|0,1,0]=3 5634 B14R1.2294 COC(=O)c1cc(c(cc1F)SC)N 62a_100000760059_200000210301 [0,2,0,0,0,0|0,1,0]=3 5635 B14R1.2294 COC(=O)c1cc(c(cc1F)S[13CH3])F 62a_100010769226_200025704644 [0,2,0,0,0,0|0,1,0]=3 5636 B14R1.2294 COC(=O)c1cc(c(cc1F)S[13CH3])F 62a_200025704644_100010769226 [0,2,0,0,0,0|0,1,0]=3 5637 B14R1.2294 COC(=O)c1cc(c(cc1F)S[13CH3])N 62a_100000760059_200025704644 [0,2,0,0,0,0|0,1,0]=3 5638 B14R1.2294 COC(=O)c1cc(c(cc1N)OC)O 271570a_203496583355_100000730826 [0,2,0,0,0,0|0,0,0]=2 5639 B14R1.2294 COC(=O)c1cc(c(cc1N)SC)F 62a_100000724440_200000210301 [0,2,0,0,0,0|0,1,0]=3 5640 B14R1.2294 COC(=O)c1cc(c(cc1N)S[13CH3])F 62a_100000724440_200025704644 [0,2,0,0,0,0|0,1,0]=3 5641 B14R1.2294 COC(=O)c1cc(c(cc1O)OC)O 271570a_203496583355_200010007936 [0,2,0,0,0,0|0,0,0]=2 5642 B14R1.2294 COC(=O)c1cc(c(cc1O)SC)F 62a_100010760826_200000210301 [0,2,0,0,0,0|0,1,0]=3 5643 B14R1.2294 COC(=O)c1cc(c(cc1O)SC)F 62a_200000210301_100010760826 [0,2,0,0,0,0|0,1,0]=3 5644 B14R1.2294 COC(=O)c1cc(c(cc1O)S[13CH3])F 62a_100010760826_200025704644 [0,2,0,0,0,0|0,1,0]=3 5645 B14R1.2294 COC(=O)c1cc(c(cc1O)S[13CH3])F 62a_200025704644_100010760826 [0,2,0,0,0,0|0,1,0]=3 5646 B14R1.2294 COC(=O)c1cc(c(nc1O)OC)F 271570a_203496583355_100010254575 [0,2,0,0,0,0|1,0,0]=3 5647 B14R1.2294 COc1cc(c(cc1Br)C(=O)CF)C 1458a_100010233827_100015361967 [0,2,0,0,0,0|2,0,0]=4 5648 B14R1.2294 COc1cc(c(cc1Br)C(=O)CF)F 1458a_100010270082_100015361967 [0,2,0,0,0,0|2,0,0]=4 5649 B14R1.2294 COc1cc(c(cc1Br)C(=O)CF)O 1458a_100009816734_100015361967 [0,2,0,0,0,0|2,0,0]=4 5650 B14R1.2294 COc1cc(c(cc1C)C(=O)CF)C 1458a_100011996352_100015361967 [0,2,0,0,0,0|2,0,0]=4 5651 B14R1.2294 COc1cc(c(cc1F)C(=O)CF)F 1458a_100009861218_100015361967 [0,2,0,0,0,0|2,0,0]=4 5652 B14R1.2294 COc1cc(c(cc1O)C(=O)CF)Br 1458a_100010074811_100015361967 [0,2,0,0,0,0|2,0,0]=4 5653 B14R1.2316 C=Cc1ccc(c(c1C)C)C(=O)OC 271570a_100011290941_100010761469 [0,2,0,0,0,0|1,0,1]=4 5654 B14R1.2316 C=Cc1ccc(c(c1C)F)C(=O)OC 271570a_100011290941_100010172522 [0,2,0,0,0,0|1,0,1]=4 5655 B14R1.2316 C=Cc1ccc(c(c1C)N)C(=O)OC 271570a_100011290941_100000764893 [0,2,0,0,0,0|1,0,1]=4 5656 B14R1.2316 C=Cc1ccc(c(c1F)C)C(=O)OC 271570a_100011290941_100010291505 [0,2,0,0,0,0|1,0,1]=4 5657 B14R1.2316 C=Cc1ccc(c(c1F)F)C(=O)OC 271570a_100011290941_100010982024 [0,2,0,0,0,0|1,0,1]=4 5658 B14R1.2316 C=Cc1ccc(c(c1F)N)C(=O)OC 271570a_100011290941_100022009169 [0,2,0,0,0,0|1,0,1]=4 5659 B14R1.2316 C=Cc1ccc(c(c1F)O)C(=O)OC 271570a_100011290941_100011092008 [0,2,0,0,0,0|1,0,1]=4 5660 B14R1.2316 C=Cc1ccc(c(c1O)C)C(=O)OC 271570a_100011290941_100010889012 [0,2,0,0,0,0|1,0,1]=4 5661 B14R1.2316 C=Cc1ccc(c(c1O)F)C(=O)OC 271570a_100011290941_100011096176 [0,2,0,0,0,0|1,0,1]=4 5662 B14R1.2316 CCC(=O)c1ccc(c(c1C)C)OC 1458a_200000082569_100000210202 [0,2,0,0,0,0|1,0,0]=3 5663 B14R1.2316 CCC(=O)c1ccc(c(c1F)F)OC 1458a_100000061877_100000210202 [0,2,0,0,0,0|1,0,0]=3 5664 B14R1.2316 CCC(=O)c1ccc(c(c1O)O)OC 1458a_100000045701_100000210202 [0,2,0,0,0,0|1,0,0]=3 5665 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 11a_106832991635_200000082569 [0,2,0,0,0,0|1,0,0]=3 5666 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 1626a_100102657272_200000082569 [0,2,0,0,0,0|1,0,0]=3 5667 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 240690a_100102657272_200000082569 [0,2,0,0,0,0|1,0,0]=3 5668 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 527a_100102657272_200000082569 [0,2,0,0,0,0|1,0,0]=3 5669 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 11a_106832991635_100000061877 [0,2,0,0,0,0|1,0,0]=3 5670 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 1626a_100102657272_100000061877 [0,2,0,0,0,0|1,0,0]=3 5671 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 240690a_100102657272_100000061877 [0,2,0,0,0,0|1,0,0]=3 5672 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 527a_100102657272_100000061877 [0,2,0,0,0,0|1,0,0]=3 5673 B14R1.2316 COC(=O)c1ccc(c(c1C)C)SC 62a_100010761469_200000210301 [0,2,0,0,0,0|0,1,0]=3 5674 B14R1.2316 COC(=O)c1ccc(c(c1C)C)SC 62a_200000210301_100010761469 [0,2,0,0,0,0|0,1,0]=3 5675 B14R1.2316 COC(=O)c1ccc(c(c1C)C)S[13CH3] 62a_100010761469_200025704644 [0,2,0,0,0,0|0,1,0]=3 5676 B14R1.2316 COC(=O)c1ccc(c(c1C)C)S[13CH3] 62a_200025704644_100010761469 [0,2,0,0,0,0|0,1,0]=3 5677 B14R1.2316 COC(=O)c1ccc(c(c1C)F)SC 62a_100010291505_200000210301 [0,2,0,0,0,0|0,1,0]=3 5678 B14R1.2316 COC(=O)c1ccc(c(c1C)F)SC 62a_200000210301_100010291505 [0,2,0,0,0,0|0,1,0]=3 5679 B14R1.2316 COC(=O)c1ccc(c(c1C)F)S[13CH3] 62a_100010291505_200025704644 [0,2,0,0,0,0|0,1,0]=3 5680 B14R1.2316 COC(=O)c1ccc(c(c1C)F)S[13CH3] 62a_200025704644_100010291505 [0,2,0,0,0,0|0,1,0]=3 5681 B14R1.2316 COC(=O)c1ccc(c(c1C)O)OC 271570a_203496583355_100010761468 [0,2,0,0,0,0|0,0,0]=2 5682 B14R1.2316 COC(=O)c1ccc(c(c1C)O)SC 62a_100010889012_200000210301 [0,2,0,0,0,0|0,1,0]=3 5683 B14R1.2316 COC(=O)c1ccc(c(c1C)O)SC 62a_200000210301_100010889012 [0,2,0,0,0,0|0,1,0]=3 5684 B14R1.2316 COC(=O)c1ccc(c(c1C)O)S[13CH3] 62a_100010889012_200025704644 [0,2,0,0,0,0|0,1,0]=3 5685 B14R1.2316 COC(=O)c1ccc(c(c1C)O)S[13CH3] 62a_200025704644_100010889012 [0,2,0,0,0,0|0,1,0]=3 5686 B14R1.2316 COC(=O)c1ccc(c(c1F)C)SC 62a_100010172522_200000210301 [0,2,0,0,0,0|0,1,0]=3 5687 B14R1.2316 COC(=O)c1ccc(c(c1F)C)SC 62a_200000210301_100010172522 [0,2,0,0,0,0|0,1,0]=3 5688 B14R1.2316 COC(=O)c1ccc(c(c1F)C)S[13CH3] 62a_100010172522_200025704644 [0,2,0,0,0,0|0,1,0]=3 5689 B14R1.2316 COC(=O)c1ccc(c(c1F)C)S[13CH3] 62a_200025704644_100010172522 [0,2,0,0,0,0|0,1,0]=3 5690 B14R1.2316 COC(=O)c1ccc(c(c1F)F)OC 34a_100000101000_200000210301 [0,2,0,0,0,0|0,0,0]=2 5691 B14R1.2316 COC(=O)c1ccc(c(c1F)F)OC 7a_100000101000_200000210301 [0,2,0,0,0,0|0,0,0]=2 5692 B14R1.2316 COC(=O)c1ccc(c(c1F)F)O[13CH3] 34a_100000101000_200025704644 [0,2,0,0,0,0|0,0,0]=2 5693 B14R1.2316 COC(=O)c1ccc(c(c1F)F)O[13CH3] 7a_100000101000_200025704644 [0,2,0,0,0,0|0,0,0]=2 5694 B14R1.2316 COC(=O)c1ccc(c(c1F)F)SC 62a_100010982024_200000210301 [0,2,0,0,0,0|0,1,0]=3 5695 B14R1.2316 COC(=O)c1ccc(c(c1F)F)SC 62a_200000210301_100010982024 [0,2,0,0,0,0|0,1,0]=3 5696 B14R1.2316 COC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_100010982024_200025704644 [0,2,0,0,0,0|0,1,0]=3 5697 B14R1.2316 COC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010982024 [0,2,0,0,0,0|0,1,0]=3 5698 B14R1.2316 COC(=O)c1ccc(c(c1F)O)SC 62a_100011096176_200000210301 [0,2,0,0,0,0|0,1,0]=3 5699 B14R1.2316 COC(=O)c1ccc(c(c1F)O)SC 62a_200000210301_100011096176 [0,2,0,0,0,0|0,1,0]=3 5700 B14R1.2316 COC(=O)c1ccc(c(c1F)O)S[13CH3] 62a_100011096176_200025704644 [0,2,0,0,0,0|0,1,0]=3 5701 B14R1.2316 COC(=O)c1ccc(c(c1F)O)S[13CH3] 62a_200025704644_100011096176 [0,2,0,0,0,0|0,1,0]=3 5702 B14R1.2316 COC(=O)c1ccc(c(c1N)C)SC 62a_100000764893_200000210301 [0,2,0,0,0,0|0,1,0]=3 5703 B14R1.2316 COC(=O)c1ccc(c(c1N)C)S[13CH3] 62a_100000764893_200025704644 [0,2,0,0,0,0|0,1,0]=3 5704 B14R1.2316 COC(=O)c1ccc(c(c1N)F)SC 62a_100022009169_200000210301 [0,2,0,0,0,0|0,1,0]=3 5705 B14R1.2316 COC(=O)c1ccc(c(c1N)F)S[13CH3] 62a_100022009169_200025704644 [0,2,0,0,0,0|0,1,0]=3 5706 B14R1.2316 COc1ccc(c(c1C)C)C(=O)CF 1458a_200000082569_100015361967 [0,2,0,0,0,0|2,0,0]=4 5707 B14R1.2316 COc1ccc(c(c1F)F)C(=O)CF 1458a_100000061877_100015361967 [0,2,0,0,0,0|2,0,0]=4 5708 B14R1.2316 COc1ccc(c(c1O)O)C(=O)CF 1458a_100000045701_100015361967 [0,2,0,0,0,0|2,0,0]=4 5709 B14R1.2334 C=Cc1cc(ccc1C(=O)OC)C#N 271570a_100011290941_100009832033 [0,2,0,0,0,0|2,0,0]=4 5710 B14R1.2334 C=Cc1cc(ccc1C(=O)OC)C=O 271570a_100011290941_100010630601 [0,2,0,0,0,0|2,0,0]=4 5711 B14R1.2334 C=Cc1cc(ccc1C(=O)OC)OC 271570a_100011290941_100009815674 [0,2,0,0,0,0|0,0,0]=2 5712 B14R1.2334 C=Cc1cc(ncc1C(=O)OC)OC 271570a_100011290941_100010136350 [0,2,0,0,0,0|1,0,0]=3 5713 B14R1.2334 C=Cc1ccc(c(c1)C#N)C(=O)OC 271570a_100011290941_100010150794 [0,2,0,0,0,0|1,0,1]=4 5714 B14R1.2334 C=Cc1ccc(c(c1)C=O)C(=O)OC 271570a_100011290941_100010732994 [0,2,0,0,0,0|1,0,1]=4 5715 B14R1.2334 C=Cc1ccc(c(c1)NC)C(=O)OC 271570a_100011290941_200160487225 [0,2,0,0,0,0|1,0,1]=4 5716 B14R1.2334 C=Cc1ccc(c(c1)OC)C(=O)OC 271570a_100011290941_100000708095 [0,2,0,0,0,0|1,0,1]=4 5717 B14R1.2334 C=Cc1nc(ccc1C(=O)OC)OC 271570a_100011290941_100010136187 [0,2,0,0,0,0|1,0,0]=3 5718 B14R1.2334 CCC(=O)c1ccc(cc1OC)OC 1458a_100000210807_100000210202 [0,2,0,0,0,0|1,0,0]=3 5719 B14R1.2334 CCC(=O)c1ccc(cc1OC)OC 7a_200000067515_200000210301 [0,2,0,0,0,0|1,0,0]=3 5720 B14R1.2334 CCC(=O)c1ccc(cc1OC)SC 1458a_100000211074_100000210202 [0,2,0,0,0,0|1,1,0]=4 5721 B14R1.2334 CCC(=O)c1ccc(cc1O[13CH3])OC 7a_200000067515_200025704644 [0,2,0,0,0,0|1,0,0]=3 5722 B14R1.2334 CNC(=O)c1ccc(cc1OC)NC 2230a_200011977860_200000210301 [0,2,0,0,0,0|2,0,0]=4 5723 B14R1.2334 CNC(=O)c1ccc(cc1OC)NC 34a_200011977860_200000210301 [0,2,0,0,0,0|2,0,0]=4 5724 B14R1.2334 CNC(=O)c1ccc(cc1OC)N[13CH3] 2230a_200011977860_200025704644 [0,2,0,0,0,0|2,0,0]=4 5725 B14R1.2334 CNC(=O)c1ccc(cc1OC)N[13CH3] 34a_200011977860_200025704644 [0,2,0,0,0,0|2,0,0]=4 5726 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 11a_106832991635_100000210807 [0,2,0,0,0,0|1,0,0]=3 5727 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 1626a_100102657272_100000210807 [0,2,0,0,0,0|1,0,0]=3 5728 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 240690a_100102657272_100000210807 [0,2,0,0,0,0|1,0,0]=3 5729 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 527a_100102657272_100000210807 [0,2,0,0,0,0|1,0,0]=3 5730 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 11a_106832991635_100000211074 [0,2,0,0,0,0|1,1,0]=4 5731 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 1626a_100102657272_100000211074 [0,2,0,0,0,0|1,1,0]=4 5732 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 240690a_100102657272_100000211074 [0,2,0,0,0,0|1,1,0]=4 5733 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 527a_100102657272_100000211074 [0,2,0,0,0,0|1,1,0]=4 5734 B14R1.2334 CNc1cc(ccc1C(=O)OC)SC 62a_200160487225_200000210301 [0,2,0,0,0,0|0,1,0]=3 5735 B14R1.2334 CNc1cc(ccc1C(=O)OC)S[13CH3] 62a_200160487225_200025704644 [0,2,0,0,0,0|0,1,0]=3 5736 B14R1.2334 CNc1ccc(c(n1)OC)C(=O)OC 27a_100102657272_100000703831 [0,2,0,0,0,0|2,0,0]=4 5737 B14R1.2334 COC(=O)c1ccc(cc1C#N)SC 62a_200000210301_100010150794 [0,2,0,0,0,0|0,1,0]=3 5738 B14R1.2334 COC(=O)c1ccc(cc1C#N)S[13CH3] 62a_200025704644_100010150794 [0,2,0,0,0,0|0,1,0]=3 5739 B14R1.2334 COC(=O)c1ccc(cc1C=O)SC 62a_100010732994_200000210301 [0,2,0,0,0,0|0,1,0]=3 5740 B14R1.2334 COC(=O)c1ccc(cc1C=O)S[13CH3] 62a_100010732994_200025704644 [0,2,0,0,0,0|0,1,0]=3 5741 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 34a_100000082606_200000210301 [0,2,0,0,0,0|0,0,0]=2 5742 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 34a_100000151117_200000210301 [0,2,0,0,0,0|0,0,0]=2 5743 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 7a_100000082606_200000210301 [0,2,0,0,0,0|0,0,0]=2 5744 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 7a_100000151117_200000210301 [0,2,0,0,0,0|0,0,0]=2 5745 B14R1.2334 COC(=O)c1ccc(cc1OC)O[13CH3] 34a_100000082606_200025704644 [0,2,0,0,0,0|0,0,0]=2 5746 B14R1.2334 COC(=O)c1ccc(cc1OC)O[13CH3] 7a_100000082606_200025704644 [0,2,0,0,0,0|0,0,0]=2 5747 B14R1.2334 COC(=O)c1ccc(cc1OC)SC 62a_100000708095_200000210301 [0,2,0,0,0,0|0,1,0]=3 5748 B14R1.2334 COC(=O)c1ccc(cc1OC)S[13CH3] 62a_100000708095_200025704644 [0,2,0,0,0,0|0,1,0]=3 5749 B14R1.2334 COC(=O)c1ccc(cc1O[13CH3])OC 34a_100000151117_200025704644 [0,2,0,0,0,0|0,0,0]=2 5750 B14R1.2334 COC(=O)c1ccc(cc1O[13CH3])OC 7a_100000151117_200025704644 [0,2,0,0,0,0|0,0,0]=2 5751 B14R1.2334 COC(=O)c1ccc(cc1SC)C#N 62a_200000210301_100009832033 [0,2,0,0,0,0|2,0,0]=4 5752 B14R1.2334 COC(=O)c1ccc(cc1SC)C=O 62a_100010630601_200000210301 [0,2,0,0,0,0|2,0,0]=4 5753 B14R1.2334 COC(=O)c1ccc(cc1SC)C=O 62a_200000210301_100010630601 [0,2,0,0,0,0|2,0,0]=4 5754 B14R1.2334 COC(=O)c1ccc(cc1SC)OC 62a_100009815674_200000210301 [0,2,0,0,0,0|0,0,0]=2 5755 B14R1.2334 COC(=O)c1ccc(cc1SC)OC 62a_200000210301_100009815674 [0,2,0,0,0,0|0,0,0]=2 5756 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C#N 62a_200025704644_100009832033 [0,2,0,0,0,0|2,0,0]=4 5757 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C=O 62a_100010630601_200025704644 [0,2,0,0,0,0|2,0,0]=4 5758 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C=O 62a_200025704644_100010630601 [0,2,0,0,0,0|2,0,0]=4 5759 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])OC 62a_100009815674_200025704644 [0,2,0,0,0,0|0,0,0]=2 5760 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])OC 62a_200025704644_100009815674 [0,2,0,0,0,0|0,0,0]=2 5761 B14R1.2334 COC(=O)c1ccc(nc1OC)SC 62a_100000703831_200000210301 [0,2,0,0,0,0|1,1,0]=4 5762 B14R1.2334 COC(=O)c1ccc(nc1OC)SC 62a_200000210301_100000703831 [0,2,0,0,0,0|1,1,0]=4 5763 B14R1.2334 COC(=O)c1ccc(nc1OC)S[13CH3] 62a_100000703831_200025704644 [0,2,0,0,0,0|1,1,0]=4 5764 B14R1.2334 COC(=O)c1ccc(nc1OC)S[13CH3] 62a_200025704644_100000703831 [0,2,0,0,0,0|1,1,0]=4 5765 B14R1.2334 COC(=O)c1ccc(nc1SC)OC 62a_100010136187_200000210301 [0,2,0,0,0,0|1,0,0]=3 5766 B14R1.2334 COC(=O)c1ccc(nc1SC)OC 62a_200000210301_100010136187 [0,2,0,0,0,0|1,0,0]=3 5767 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])OC 62a_100010136187_200025704644 [0,2,0,0,0,0|1,0,0]=3 5768 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])OC 62a_200025704644_100010136187 [0,2,0,0,0,0|1,0,0]=3 5769 B14R1.2334 COC(=O)c1cnc(cc1OC)SC 62a_100010062786_200000210301 [0,2,0,0,0,0|1,1,0]=4 5770 B14R1.2334 COC(=O)c1cnc(cc1OC)SC 62a_200000210301_100010062786 [0,2,0,0,0,0|1,1,0]=4 5771 B14R1.2334 COC(=O)c1cnc(cc1OC)S[13CH3] 62a_100010062786_200025704644 [0,2,0,0,0,0|1,1,0]=4 5772 B14R1.2334 COC(=O)c1cnc(cc1OC)S[13CH3] 62a_200025704644_100010062786 [0,2,0,0,0,0|1,1,0]=4 5773 B14R1.2334 COC(=O)c1cnc(cc1SC)OC 62a_100010136350_200000210301 [0,2,0,0,0,0|1,0,0]=3 5774 B14R1.2334 COC(=O)c1cnc(cc1SC)OC 62a_200000210301_100010136350 [0,2,0,0,0,0|1,0,0]=3 5775 B14R1.2334 COC(=O)c1cnc(cc1S[13CH3])OC 62a_100010136350_200025704644 [0,2,0,0,0,0|1,0,0]=3 5776 B14R1.2334 COC(=O)c1cnc(cc1S[13CH3])OC 62a_200025704644_100010136350 [0,2,0,0,0,0|1,0,0]=3 5777 B14R1.2334 COC(=O)c1ncc(cc1OC)SC 62a_100010254911_200000210301 [0,2,0,0,0,0|1,1,0]=4 5778 B14R1.2334 COC(=O)c1ncc(cc1OC)SC 62a_200000210301_100010254911 [0,2,0,0,0,0|1,1,0]=4 5779 B14R1.2334 COC(=O)c1ncc(cc1OC)S[13CH3] 62a_100010254911_200025704644 [0,2,0,0,0,0|1,1,0]=4 5780 B14R1.2334 COC(=O)c1ncc(cc1OC)S[13CH3] 62a_200025704644_100010254911 [0,2,0,0,0,0|1,1,0]=4 5781 B14R1.2334 COc1ccc(c(c1)OC)C(=O)CF 1458a_100000210807_100015361967 [0,2,0,0,0,0|2,0,0]=4 5782 B14R1.2334 COc1ccc(c(c1)OC)C(=O)NN 34a_100000188385_200000210301 [0,2,0,0,0,0|2,0,0]=4 5783 B14R1.2334 COc1ccc(c(c1)O[13CH3])C(=O)NN 34a_100000188385_200025704644 [0,2,0,0,0,0|2,0,0]=4 5784 B14R1.3718 CNS(=O)(=O)c1ccc(cc1Br)OC 270084a_100102657272_100000724158 [0,2,0,0,0,0|2,0,0]=4 5785 B14R1.3718 CNS(=O)(=O)c1ccc(cc1Br)OC 274078a_100102657272_100000724158 [0,2,0,0,0,0|2,0,0]=4 5786 B14R1.3718 CNS(=O)(=O)c1ccc(cc1C)OC 270084a_100102657272_100000742020 [0,2,0,0,0,0|2,0,0]=4 5787 B14R1.3718 CNS(=O)(=O)c1ccc(cc1C)OC 274078a_100102657272_100000742020 [0,2,0,0,0,0|2,0,0]=4 5788 B14R1.7234 C#CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000184674 [0,2,0,0,0,0|1,0,1]=4 5789 B14R1.7234 C#CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000184674 [0,2,0,0,0,0|1,0,1]=4 5790 B14R1.7234 C#CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000184674 [0,2,0,0,0,0|1,0,1]=4 5791 B14R1.7234 C#CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000184674 [0,2,0,0,0,0|1,0,1]=4 5792 B14R1.7234 C#CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000184674 [0,2,0,0,0,0|1,0,1]=4 5793 B14R1.7234 C#CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000184674 [0,2,0,0,0,0|1,0,1]=4 5794 B14R1.7234 C=CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210623 [0,2,0,0,0,0|1,0,1]=4 5795 B14R1.7234 C=CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210623 [0,2,0,0,0,0|1,0,1]=4 5796 B14R1.7234 C=CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210623 [0,2,0,0,0,0|1,0,1]=4 5797 B14R1.7234 C=CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210623 [0,2,0,0,0,0|1,0,1]=4 5798 B14R1.7234 C=CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210623 [0,2,0,0,0,0|1,0,1]=4 5799 B14R1.7234 C=CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210623 [0,2,0,0,0,0|1,0,1]=4 5800 B14R1.7234 C=Cc1ccc(c(c1)C)C(=O)OCC 271570a_100011290941_100011327926 [0,2,0,0,0,0|1,0,1]=4 5801 B14R1.7234 C=Cc1ccc(c(c1)Cl)C(=O)OCC 271570a_100011290941_100000060723 [0,2,0,0,0,0|1,0,1]=4 5802 B14R1.7234 C=Cc1ccc(c(c1)F)C(=O)OCC 271570a_100011290941_100010244673 [0,2,0,0,0,0|1,0,1]=4 5803 B14R1.7234 CCCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210303 [0,2,0,0,0,0|1,0,0]=3 5804 B14R1.7234 CCCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210303 [0,2,0,0,0,0|1,0,0]=3 5805 B14R1.7234 CCCC(=O)c1ccc(cc1C)SC 1458a_100012278374_100000210303 [0,2,0,0,0,0|1,1,0]=4 5806 B14R1.7234 CCCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210303 [0,2,0,0,0,0|1,0,0]=3 5807 B14R1.7234 CCCC(=O)c1ccc(cc1F)CC 1458a_200009867912_100000210303 [0,2,0,0,0,0|2,0,0]=4 5808 B14R1.7234 CCCC(=O)c1ccc(cc1F)NC 27a_100102657272_100012345046 [0,2,0,0,0,0|2,0,0]=4 5809 B14R1.7234 CCCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210303 [0,2,0,0,0,0|1,0,0]=3 5810 B14R1.7234 CCCC(=O)c1ccc(cc1F)SC 62a_100012345046_200000210301 [0,2,0,0,0,0|1,1,0]=4 5811 B14R1.7234 CCCC(=O)c1ccc(cc1F)SC 62a_200000210301_100012345046 [0,2,0,0,0,0|1,1,0]=4 5812 B14R1.7234 CCCC(=O)c1ccc(cc1F)S[13CH3] 62a_100012345046_200025704644 [0,2,0,0,0,0|1,1,0]=4 5813 B14R1.7234 CCCC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100012345046 [0,2,0,0,0,0|1,1,0]=4 5814 B14R1.7234 CCCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210303 [0,2,0,0,0,0|1,0,0]=3 5815 B14R1.7234 CCCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210303 [0,2,0,0,0,0|1,0,0]=3 5816 B14R1.7234 CCNC(=O)c1ccc(cc1Br)OC 11a_100015525214_100000748873 [0,2,0,0,0,0|1,0,0]=3 5817 B14R1.7234 CCNC(=O)c1ccc(cc1Br)OC 240690a_100015525214_100000748873 [0,2,0,0,0,0|1,0,0]=3 5818 B14R1.7234 CCNC(=O)c1ccc(cc1Br)OC 527a_100015525214_100000748873 [0,2,0,0,0,0|1,0,0]=3 5819 B14R1.7234 CCNC(=O)c1ccc(cc1C)OC 11a_100015525214_100000763155 [0,2,0,0,0,0|1,0,0]=3 5820 B14R1.7234 CCNC(=O)c1ccc(cc1C)OC 240690a_100015525214_100000763155 [0,2,0,0,0,0|1,0,0]=3 5821 B14R1.7234 CCNC(=O)c1ccc(cc1C)OC 527a_100015525214_100000763155 [0,2,0,0,0,0|1,0,0]=3 5822 B14R1.7234 CCNC(=O)c1ccc(cc1C)SC 11a_100015525214_100012278374 [0,2,0,0,0,0|1,1,0]=4 5823 B14R1.7234 CCNC(=O)c1ccc(cc1C)SC 240690a_100015525214_100012278374 [0,2,0,0,0,0|1,1,0]=4 5824 B14R1.7234 CCNC(=O)c1ccc(cc1C)SC 527a_100015525214_100012278374 [0,2,0,0,0,0|1,1,0]=4 5825 B14R1.7234 CCNC(=O)c1ccc(cc1Cl)NC 34a_200015185234_200000210301 [0,2,0,0,0,0|2,0,0]=4 5826 B14R1.7234 CCNC(=O)c1ccc(cc1Cl)NC 7a_200015185234_200000210301 [0,2,0,0,0,0|2,0,0]=4 5827 B14R1.7234 CCNC(=O)c1ccc(cc1Cl)N[13CH3] 34a_200015185234_200025704644 [0,2,0,0,0,0|2,0,0]=4 5828 B14R1.7234 CCNC(=O)c1ccc(cc1Cl)N[13CH3] 7a_200015185234_200025704644 [0,2,0,0,0,0|2,0,0]=4 5829 B14R1.7234 CCNC(=O)c1ccc(cc1Cl)OC 11a_100015525214_100000753557 [0,2,0,0,0,0|1,0,0]=3 5830 B14R1.7234 CCNC(=O)c1ccc(cc1Cl)OC 240690a_100015525214_100000753557 [0,2,0,0,0,0|1,0,0]=3 5831 B14R1.7234 CCNC(=O)c1ccc(cc1Cl)OC 527a_100015525214_100000753557 [0,2,0,0,0,0|1,0,0]=3 5832 B14R1.7234 CCNC(=O)c1ccc(cc1F)CC 11a_100015525214_200009867912 [0,2,0,0,0,0|2,0,0]=4 5833 B14R1.7234 CCNC(=O)c1ccc(cc1F)CC 240690a_100015525214_200009867912 [0,2,0,0,0,0|2,0,0]=4 5834 B14R1.7234 CCNC(=O)c1ccc(cc1F)CC 527a_100015525214_200009867912 [0,2,0,0,0,0|2,0,0]=4 5835 B14R1.7234 CCNC(=O)c1ccc(cc1F)NC 27a_100102657272_200000215476 [0,2,0,0,0,0|2,0,0]=4 5836 B14R1.7234 CCNC(=O)c1ccc(cc1F)OC 11a_100015525214_100000198494 [0,2,0,0,0,0|1,0,0]=3 5837 B14R1.7234 CCNC(=O)c1ccc(cc1F)OC 240690a_100015525214_100000198494 [0,2,0,0,0,0|1,0,0]=3 5838 B14R1.7234 CCNC(=O)c1ccc(cc1F)OC 527a_100015525214_100000198494 [0,2,0,0,0,0|1,0,0]=3 5839 B14R1.7234 CCNC(=O)c1ccc(cc1F)SC 62a_200000210301_200000215476 [0,2,0,0,0,0|1,1,0]=4 5840 B14R1.7234 CCNC(=O)c1ccc(cc1F)SC 62a_200000215476_200000210301 [0,2,0,0,0,0|1,1,0]=4 5841 B14R1.7234 CCNC(=O)c1ccc(cc1F)S[13CH3] 62a_200000215476_200025704644 [0,2,0,0,0,0|1,1,0]=4 5842 B14R1.7234 CCNC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_200000215476 [0,2,0,0,0,0|1,1,0]=4 5843 B14R1.7234 CCNC(=O)c1ccc(cc1I)OC 11a_100015525214_100000688016 [0,2,0,0,0,0|1,0,0]=3 5844 B14R1.7234 CCNC(=O)c1ccc(cc1I)OC 240690a_100015525214_100000688016 [0,2,0,0,0,0|1,0,0]=3 5845 B14R1.7234 CCNC(=O)c1ccc(cc1I)OC 527a_100015525214_100000688016 [0,2,0,0,0,0|1,0,0]=3 5846 B14R1.7234 CCNC(=O)c1ccc(cc1O)OC 11a_100015525214_100000212123 [0,2,0,0,0,0|1,0,0]=3 5847 B14R1.7234 CCNC(=O)c1ccc(cc1O)OC 240690a_100015525214_100000212123 [0,2,0,0,0,0|1,0,0]=3 5848 B14R1.7234 CCNC(=O)c1ccc(cc1O)OC 527a_100015525214_100000212123 [0,2,0,0,0,0|1,0,0]=3 5849 B14R1.7234 CCOC(=O)c1ccc(cc1C)OC 7a_100012184494_200000210301 [0,2,0,0,0,0|0,0,0]=2 5850 B14R1.7234 CCOC(=O)c1ccc(cc1C)O[13CH3] 7a_100012184494_200025704644 [0,2,0,0,0,0|0,0,0]=2 5851 B14R1.7234 CCOC(=O)c1ccc(cc1C)SC 62a_100011327926_200000210301 [0,2,0,0,0,0|0,1,0]=3 5852 B14R1.7234 CCOC(=O)c1ccc(cc1C)SC 62a_200000210301_100011327926 [0,2,0,0,0,0|0,1,0]=3 5853 B14R1.7234 CCOC(=O)c1ccc(cc1C)S[13CH3] 62a_100011327926_200025704644 [0,2,0,0,0,0|0,1,0]=3 5854 B14R1.7234 CCOC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100011327926 [0,2,0,0,0,0|0,1,0]=3 5855 B14R1.7234 CCOC(=O)c1ccc(cc1Cl)SC 62a_100000060723_200000210301 [0,2,0,0,0,0|0,1,0]=3 5856 B14R1.7234 CCOC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060723 [0,2,0,0,0,0|0,1,0]=3 5857 B14R1.7234 CCOC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060723_200025704644 [0,2,0,0,0,0|0,1,0]=3 5858 B14R1.7234 CCOC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060723 [0,2,0,0,0,0|0,1,0]=3 5859 B14R1.7234 CCOC(=O)c1ccc(cc1F)NC 27a_100102657272_100010244673 [0,2,0,0,0,0|1,0,0]=3 5860 B14R1.7234 CCOC(=O)c1ccc(cc1F)SC 62a_100010244673_200000210301 [0,2,0,0,0,0|0,1,0]=3 5861 B14R1.7234 CCOC(=O)c1ccc(cc1F)SC 62a_200000210301_100010244673 [0,2,0,0,0,0|0,1,0]=3 5862 B14R1.7234 CCOC(=O)c1ccc(cc1F)S[13CH3] 62a_100010244673_200025704644 [0,2,0,0,0,0|0,1,0]=3 5863 B14R1.7234 CCOC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100010244673 [0,2,0,0,0,0|0,1,0]=3 5864 B14R1.7234 CCOC(=O)c1ccc(nc1C)NC 27a_100102657272_100000106303 [0,2,0,0,0,0|2,0,0]=4 5865 B14R1.7234 CCOC(=O)c1ccc(nc1C)SC 62a_100000106303_200000210301 [0,2,0,0,0,0|1,1,0]=4 5866 B14R1.7234 CCOC(=O)c1ccc(nc1C)SC 62a_200000210301_100000106303 [0,2,0,0,0,0|1,1,0]=4 5867 B14R1.7234 CCOC(=O)c1ccc(nc1C)S[13CH3] 62a_100000106303_200025704644 [0,2,0,0,0,0|1,1,0]=4 5868 B14R1.7234 CCOC(=O)c1ccc(nc1C)S[13CH3] 62a_200025704644_100000106303 [0,2,0,0,0,0|1,1,0]=4 5869 B14R1.7234 CCOC(=O)c1cnc(cc1N)NC 27a_100102657272_100009998224 [0,2,0,0,0,0|2,0,0]=4 5870 B14R1.7234 CCOC(=O)c1cnc(cc1N)SC 62a_100009998224_200000210301 [0,2,0,0,0,0|1,1,0]=4 5871 B14R1.7234 CCOC(=O)c1cnc(cc1N)SC 62a_200000210301_100009998224 [0,2,0,0,0,0|1,1,0]=4 5872 B14R1.7234 CCOC(=O)c1cnc(cc1N)S[13CH3] 62a_100009998224_200025704644 [0,2,0,0,0,0|1,1,0]=4 5873 B14R1.7234 CCOC(=O)c1cnc(cc1N)S[13CH3] 62a_200025704644_100009998224 [0,2,0,0,0,0|1,1,0]=4 5874 B14R1.7234 CCOC(=O)c1cnc(nc1O)OC 271570a_203496583355_200010168087 [0,2,0,0,0,0|2,0,0]=4 5875 B14R1.7234 CCOC(=O)c1ncc(cc1C)SC 62a_100010201522_200000210301 [0,2,0,0,0,0|1,1,0]=4 5876 B14R1.7234 CCOC(=O)c1ncc(cc1C)SC 62a_200000210301_100010201522 [0,2,0,0,0,0|1,1,0]=4 5877 B14R1.7234 CCOC(=O)c1ncc(cc1C)S[13CH3] 62a_100010201522_200025704644 [0,2,0,0,0,0|1,1,0]=4 5878 B14R1.7234 CCOC(=O)c1ncc(cc1C)S[13CH3] 62a_200025704644_100010201522 [0,2,0,0,0,0|1,1,0]=4 5879 B14R1.7234 CCOC(=O)c1ncc(cc1N)SC 62a_100010230144_200000210301 [0,2,0,0,0,0|1,1,0]=4 5880 B14R1.7234 CCOC(=O)c1ncc(cc1N)SC 62a_200000210301_100010230144 [0,2,0,0,0,0|1,1,0]=4 5881 B14R1.7234 CCOC(=O)c1ncc(cc1N)S[13CH3] 62a_100010230144_200025704644 [0,2,0,0,0,0|1,1,0]=4 5882 B14R1.7234 CCOC(=O)c1ncc(cc1N)S[13CH3] 62a_200025704644_100010230144 [0,2,0,0,0,0|1,1,0]=4 5883 B14R1.7234 CCOC(=O)c1ncc(cc1O)SC 62a_200000210301_100016103240 [0,2,0,0,0,0|1,1,0]=4 5884 B14R1.7234 CCOC(=O)c1ncc(cc1O)S[13CH3] 62a_200025704644_100016103240 [0,2,0,0,0,0|1,1,0]=4 5885 B14R1.7234 CCOC(C)c1ccc(cc1Br)OC 34a_100000697252_100000210202 [0,2,0,0,0,0|1,0,1]=4 5886 B14R1.7234 CCOC(C)c1ccc(cc1Br)OC 7a_100000697252_100000210202 [0,2,0,0,0,0|1,0,1]=4 5887 B14R1.7234 CCc1ccc(c(c1)F)C(=O)CCF 1458a_200009867912_100011217306 [0,2,0,0,0,0|2,0,0]=4 5888 B14R1.7234 CCc1ccc(c(c1)F)C(=O)CCO 1458a_200009867912_100000211926 [0,2,0,0,0,0|2,0,0]=4 5889 B14R1.7234 CCc1ccc(c(c1)F)C(=O)NNC 22a_100016993582_200009867912 [0,2,0,0,0,0|2,0,0]=4 5890 B14R1.7234 CNCC(=O)c1ccc(cc1F)OC 2230a_106832991635_100011316493 [0,2,0,0,0,0|1,0,0]=3 5891 B14R1.7234 CNCC(=O)c1ccc(cc1F)OC 34a_100102657272_100011316493 [0,2,0,0,0,0|1,0,0]=3 5892 B14R1.7234 CNCC(=O)c1ccc(cc1F)OC 7a_106832991635_100011316493 [0,2,0,0,0,0|1,0,0]=3 5893 B14R1.7234 CNNC(=O)c1ccc(cc1Br)OC 22a_100016993582_100000748873 [0,2,0,0,0,0|1,0,0]=3 5894 B14R1.7234 CNNC(=O)c1ccc(cc1C)OC 22a_100016993582_100000763155 [0,2,0,0,0,0|1,0,0]=3 5895 B14R1.7234 CNNC(=O)c1ccc(cc1C)SC 22a_100016993582_100012278374 [0,2,0,0,0,0|1,1,0]=4 5896 B14R1.7234 CNNC(=O)c1ccc(cc1Cl)OC 22a_100016993582_100000753557 [0,2,0,0,0,0|1,0,0]=3 5897 B14R1.7234 CNNC(=O)c1ccc(cc1F)OC 22a_100016993582_100000198494 [0,2,0,0,0,0|1,0,0]=3 5898 B14R1.7234 CNNC(=O)c1ccc(cc1I)OC 22a_100016993582_100000688016 [0,2,0,0,0,0|1,0,0]=3 5899 B14R1.7234 CNNC(=O)c1ccc(cc1O)OC 22a_100016993582_100000212123 [0,2,0,0,0,0|1,0,0]=3 5900 B14R1.7234 COCC(=O)c1ccc(cc1F)OC 34a_100138415774_100011316493 [0,2,0,0,0,0|0,0,0]=2 5901 B14R1.7234 COCN(C)c1ccc(cc1C)OC 2230a_103496583619_100000766300 [0,2,0,0,0,0|2,0,0]=4 5902 B14R1.7234 COCN(C)c1ccc(cc1C)OC 269982a_103496583619_100000766300 [0,2,0,0,0,0|2,0,0]=4 5903 B14R1.7234 COc1ccc(c(c1)Br)C(=O)CC#N 1458a_100000748873_100011214920 [0,2,0,0,0,0|1,0,1]=4 5904 B14R1.7234 COc1ccc(c(c1)Br)C(=O)CCF 1458a_100000748873_100011217306 [0,2,0,0,0,0|1,0,0]=3 5905 B14R1.7234 COc1ccc(c(c1)Br)C(=O)CCO 1458a_100000748873_100000211926 [0,2,0,0,0,0|1,0,0]=3 5906 B14R1.7234 COc1ccc(c(c1)Br)C(C)OCF 34a_100000697252_100015361967 [0,2,0,0,0,0|1,0,1]=4 5907 B14R1.7234 COc1ccc(c(c1)Br)C(C)OCF 7a_100000697252_100015361967 [0,2,0,0,0,0|1,0,1]=4 5908 B14R1.7234 COc1ccc(c(c1)C)C(=O)CC#N 1458a_100000763155_100011214920 [0,2,0,0,0,0|1,0,1]=4 5909 B14R1.7234 COc1ccc(c(c1)C)C(=O)CCF 1458a_100000763155_100011217306 [0,2,0,0,0,0|1,0,0]=3 5910 B14R1.7234 COc1ccc(c(c1)C)C(=O)CCO 1458a_100000763155_100000211926 [0,2,0,0,0,0|1,0,0]=3 5911 B14R1.7234 COc1ccc(c(c1)Cl)C(=O)CC#N 1458a_100000753557_100011214920 [0,2,0,0,0,0|1,0,1]=4 5912 B14R1.7234 COc1ccc(c(c1)Cl)C(=O)CCF 1458a_100000753557_100011217306 [0,2,0,0,0,0|1,0,0]=3 5913 B14R1.7234 COc1ccc(c(c1)Cl)C(=O)CCO 1458a_100000753557_100000211926 [0,2,0,0,0,0|1,0,0]=3 5914 B14R1.7234 COc1ccc(c(c1)F)C(=O)CC#N 1458a_100000198494_100011214920 [0,2,0,0,0,0|1,0,1]=4 5915 B14R1.7234 COc1ccc(c(c1)F)C(=O)CCF 1458a_100000198494_100011217306 [0,2,0,0,0,0|1,0,0]=3 5916 B14R1.7234 COc1ccc(c(c1)F)C(=O)CCO 1458a_100000198494_100000211926 [0,2,0,0,0,0|1,0,0]=3 5917 B14R1.7234 COc1ccc(c(c1)F)C(=O)CSC 62a_100011316493_200000210301 [0,2,0,0,0,0|0,1,0]=3 5918 B14R1.7234 COc1ccc(c(c1)F)C(=O)CSC 62a_200000210301_100011316493 [0,2,0,0,0,0|0,1,0]=3 5919 B14R1.7234 COc1ccc(c(c1)F)C(=O)CS[13CH3] 62a_100011316493_200025704644 [0,2,0,0,0,0|0,1,0]=3 5920 B14R1.7234 COc1ccc(c(c1)F)C(=O)CS[13CH3] 62a_200025704644_100011316493 [0,2,0,0,0,0|0,1,0]=3 5921 B14R1.7234 COc1ccc(c(c1)I)C(=O)CC#N 1458a_100000688016_100011214920 [0,2,0,0,0,0|1,0,1]=4 5922 B14R1.7234 COc1ccc(c(c1)I)C(=O)CCF 1458a_100000688016_100011217306 [0,2,0,0,0,0|1,0,0]=3 5923 B14R1.7234 COc1ccc(c(c1)I)C(=O)CCO 1458a_100000688016_100000211926 [0,2,0,0,0,0|1,0,0]=3 5924 B14R1.7234 COc1ccc(c(c1)O)C(=O)CC#N 1458a_100000212123_100011214920 [0,2,0,0,0,0|1,0,1]=4 5925 B14R1.7234 COc1ccc(c(c1)O)C(=O)CCF 1458a_100000212123_100011217306 [0,2,0,0,0,0|1,0,0]=3 5926 B14R1.7234 COc1ccc(c(c1)O)C(=O)CCO 1458a_100000212123_100000211926 [0,2,0,0,0,0|1,0,0]=3 5927 B14R1.7234 CSc1ccc(c(c1)C)C(=O)CCF 1458a_100012278374_100011217306 [0,2,0,0,0,0|1,1,0]=4 5928 B14R1.7234 CSc1ccc(c(c1)C)C(=O)CCO 1458a_100012278374_100000211926 [0,2,0,0,0,0|1,1,0]=4 5929 B14R1.25 C#CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000184674 [0,2,0,0,0,0|1,0,1]=4 5930 B14R1.25 C#CCC(=O)c1ccc(cc1)OCC 1458a_100000181891_100000184674 [0,2,0,0,0,0|1,0,1]=4 5931 B14R1.25 C=C=Cc1ccc(cc1)C(=O)COC 271570a_100015277604_200011343064 [0,2,0,0,0,0|1,0,1]=4 5932 B14R1.25 C=C=Cc1ccc(cc1)C(=O)OCC 271570a_100015277604_100000170077 [0,2,0,0,0,0|1,0,1]=4 5933 B14R1.25 C=CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210623 [0,2,0,0,0,0|1,0,1]=4 5934 B14R1.25 C=CCC(=O)c1ccc(cc1)OCC 1458a_100000181891_100000210623 [0,2,0,0,0,0|1,0,1]=4 5935 B14R1.25 CC#CC(=O)c1ccc(cc1)C=CC 271570a_100016259895_100153741113 [0,2,0,0,0,0|2,0,0]=4 5936 B14R1.25 CC#CC(=O)c1ccc(cc1)SCC 62a_100000210202_100153741113 [0,2,0,0,0,0|1,1,0]=4 5937 B14R1.25 CC#CC(=O)c1ccc(cc1)SCF 62a_100015361967_100153741113 [0,2,0,0,0,0|1,1,0]=4 5938 B14R1.25 CC#Cc1ccc(cc1)C(=O)CCC 1458a_100009923575_100000210303 [0,2,0,0,0,0|2,0,0]=4 5939 B14R1.25 CC#Cc1ccc(cc1)C(=O)CCF 1458a_100009923575_100011217306 [0,2,0,0,0,0|2,0,0]=4 5940 B14R1.25 CC#Cc1ccc(cc1)C(=O)CCO 1458a_100009923575_100000211926 [0,2,0,0,0,0|2,0,0]=4 5941 B14R1.25 CC#Cc1ccc(cc1)C(=O)NCC 11a_100015525214_100009923575 [0,2,0,0,0,0|2,0,0]=4 5942 B14R1.25 CC#Cc1ccc(cc1)C(=O)NCC 240690a_100015525214_100009923575 [0,2,0,0,0,0|2,0,0]=4 5943 B14R1.25 CC#Cc1ccc(cc1)C(=O)NCC 527a_100015525214_100009923575 [0,2,0,0,0,0|2,0,0]=4 5944 B14R1.25 CC#Cc1ccc(cc1)C(=O)NNC 22a_100016993582_100009923575 [0,2,0,0,0,0|2,0,0]=4 5945 B14R1.25 CC=Cc1ccc(cc1)C(=O)CCC 271570a_100016259895_100011267722 [0,2,0,0,0,0|2,0,0]=4 5946 B14R1.25 CC=Cc1ccc(cc1)C(=O)COC 271570a_100016259895_200011343064 [0,2,0,0,0,0|1,0,0]=3 5947 B14R1.25 CC=Cc1ccc(cc1)C(=O)NCC 271570a_100016259895_100000155177 [0,2,0,0,0,0|2,0,0]=4 5948 B14R1.25 CC=Cc1ccc(cc1)C(=O)OCC 271570a_100016259895_100000170077 [0,2,0,0,0,0|1,0,0]=3 5949 B14R1.25 CC=Cc1ccc(cn1)C(=O)OCC 271570a_100016259895_100000170224 [0,2,0,0,0,0|2,0,0]=4 5950 B14R1.25 CC=Cc1ccc(nc1)C(=O)OCC 271570a_100016259895_100011781174 [0,2,0,0,0,0|2,0,0]=4 5951 B14R1.25 CCCC(=O)c1ccc(cc1)CCC 1458a_100011207308_100000210303 [0,2,0,0,0,0|2,0,0]=4 5952 B14R1.25 CCCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210303 [0,2,0,0,0,0|2,0,0]=4 5953 B14R1.25 CCCC(=O)c1ccc(cc1)CNC 26a_100102657272_100011216482 [0,2,0,0,0,0|2,0,0]=4 5954 B14R1.25 CCCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210303 [0,2,0,0,0,0|1,0,0]=3 5955 B14R1.25 CCCC(=O)c1ccc(cc1)CSC 1458a_100000175442_100000210303 [0,2,0,0,0,0|1,1,0]=4 5956 B14R1.25 CCCC(=O)c1ccc(cc1)OCC 1458a_100000181891_100000210303 [0,2,0,0,0,0|1,0,0]=3 5957 B14R1.25 CCCC(=O)c1ccc(cc1)OCC 34a_100011216482_100000210202 [0,2,0,0,0,0|1,0,0]=3 5958 B14R1.25 CCCC(=O)c1ccc(cc1)OCC 7a_100011216482_100000210202 [0,2,0,0,0,0|1,0,0]=3 5959 B14R1.25 CCCC(=O)c1ccc(cc1)OCF 34a_100011216482_100015361967 [0,2,0,0,0,0|1,0,0]=3 5960 B14R1.25 CCCC(=O)c1ccc(cc1)OCF 7a_100011216482_100015361967 [0,2,0,0,0,0|1,0,0]=3 5961 B14R1.25 CCCC(=O)c1ccc(cc1)SCC 1458a_100000244969_100000210303 [0,2,0,0,0,0|1,1,0]=4 5962 B14R1.25 CCCC(=O)c1ccc(cc1)SCC 62a_100000210202_100011267722 [0,2,0,0,0,0|1,1,0]=4 5963 B14R1.25 CCCC(=O)c1ccc(cc1)SCC 62a_100011267722_100000210202 [0,2,0,0,0,0|1,1,0]=4 5964 B14R1.25 CCCC(=O)c1ccc(cc1)SCF 62a_100011267722_100015361967 [0,2,0,0,0,0|1,1,0]=4 5965 B14R1.25 CCCC(=O)c1ccc(cc1)SCF 62a_100015361967_100011267722 [0,2,0,0,0,0|1,1,0]=4 5966 B14R1.25 CCCc1ccc(cc1)C(=O)CCF 1458a_100011207308_100011217306 [0,2,0,0,0,0|2,0,0]=4 5967 B14R1.25 CCCc1ccc(cc1)C(=O)CCO 1458a_100011207308_100000211926 [0,2,0,0,0,0|2,0,0]=4 5968 B14R1.25 CCCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000183362 [0,2,0,0,0,0|2,0,0]=4 5969 B14R1.25 CCCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183362 [0,2,0,0,0,0|2,0,0]=4 5970 B14R1.25 CCCc1ccc(cc1)C(=O)CSC 62a_100000183362_200000210301 [0,2,0,0,0,0|1,1,0]=4 5971 B14R1.25 CCCc1ccc(cc1)C(=O)CSC 62a_200000210301_100000183362 [0,2,0,0,0,0|1,1,0]=4 5972 B14R1.25 CCCc1ccc(cc1)C(=O)CS[13CH3] 62a_100000183362_200025704644 [0,2,0,0,0,0|1,1,0]=4 5973 B14R1.25 CCCc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000183362 [0,2,0,0,0,0|1,1,0]=4 5974 B14R1.25 CCCc1ccc(cc1)C(=O)NCC 11a_100015525214_100011207308 [0,2,0,0,0,0|2,0,0]=4 5975 B14R1.25 CCCc1ccc(cc1)C(=O)NCC 240690a_100015525214_100011207308 [0,2,0,0,0,0|2,0,0]=4 5976 B14R1.25 CCCc1ccc(cc1)C(=O)NCC 527a_100015525214_100011207308 [0,2,0,0,0,0|2,0,0]=4 5977 B14R1.25 CCCc1ccc(cc1)C(=O)NNC 22a_100016993582_100011207308 [0,2,0,0,0,0|2,0,0]=4 5978 B14R1.25 CCNC(=O)c1ccc(cc1)CCO 240690a_100015525214_100000078963 [0,2,0,0,0,0|2,0,0]=4 5979 B14R1.25 CCNC(=O)c1ccc(cc1)CNC 2230a_106832991635_100011266492 [0,2,0,0,0,0|2,0,0]=4 5980 B14R1.25 CCNC(=O)c1ccc(cc1)CNC 34a_100102657272_100011266492 [0,2,0,0,0,0|2,0,0]=4 5981 B14R1.25 CCNC(=O)c1ccc(cc1)CNC 7a_106832991635_100011266492 [0,2,0,0,0,0|2,0,0]=4 5982 B14R1.25 CCNC(=O)c1ccc(cc1)COC 11a_100015525214_100000189608 [0,2,0,0,0,0|1,0,0]=3 5983 B14R1.25 CCNC(=O)c1ccc(cc1)COC 240690a_100015525214_100000189608 [0,2,0,0,0,0|1,0,0]=3 5984 B14R1.25 CCNC(=O)c1ccc(cc1)COC 34a_100138415774_100011266492 [0,2,0,0,0,0|1,0,0]=3 5985 B14R1.25 CCNC(=O)c1ccc(cc1)COC 527a_100015525214_100000189608 [0,2,0,0,0,0|1,0,0]=3 5986 B14R1.25 CCNC(=O)c1ccc(cc1)CSC 11a_100015525214_100000175442 [0,2,0,0,0,0|1,1,0]=4 5987 B14R1.25 CCNC(=O)c1ccc(cc1)CSC 240690a_100015525214_100000175442 [0,2,0,0,0,0|1,1,0]=4 5988 B14R1.25 CCNC(=O)c1ccc(cc1)CSC 527a_100015525214_100000175442 [0,2,0,0,0,0|1,1,0]=4 5989 B14R1.25 CCNC(=O)c1ccc(cc1)CSC 62a_100011266492_200000210301 [0,2,0,0,0,0|1,1,0]=4 5990 B14R1.25 CCNC(=O)c1ccc(cc1)CSC 62a_200000210301_100011266492 [0,2,0,0,0,0|1,1,0]=4 5991 B14R1.25 CCNC(=O)c1ccc(cc1)CS[13CH3] 62a_100011266492_200025704644 [0,2,0,0,0,0|1,1,0]=4 5992 B14R1.25 CCNC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100011266492 [0,2,0,0,0,0|1,1,0]=4 5993 B14R1.25 CCNC(=O)c1ccc(cc1)NCC 2230a_100000741011_100000210202 [0,2,0,0,0,0|2,0,0]=4 5994 B14R1.25 CCNC(=O)c1ccc(cc1)NCC 27a_100015525214_100000155177 [0,2,0,0,0,0|2,0,0]=4 5995 B14R1.25 CCNC(=O)c1ccc(cc1)NCC 34a_100000741011_100000210202 [0,2,0,0,0,0|2,0,0]=4 5996 B14R1.25 CCNC(=O)c1ccc(cc1)NCF 34a_100000741011_100015361967 [0,2,0,0,0,0|2,0,0]=4 5997 B14R1.25 CCNC(=O)c1ccc(cc1)OCC 11a_100015525214_100000181891 [0,2,0,0,0,0|1,0,0]=3 5998 B14R1.25 CCNC(=O)c1ccc(cc1)OCC 240690a_100015525214_100000181891 [0,2,0,0,0,0|1,0,0]=3 5999 B14R1.25 CCNC(=O)c1ccc(cc1)OCC 527a_100015525214_100000181891 [0,2,0,0,0,0|1,0,0]=3 6000 B14R1.25 CCNC(=O)c1ccc(cc1)SCC 11a_100015525214_100000244969 [0,2,0,0,0,0|1,1,0]=4 6001 B14R1.25 CCNC(=O)c1ccc(cc1)SCC 240690a_100015525214_100000244969 [0,2,0,0,0,0|1,1,0]=4 6002 B14R1.25 CCNC(=O)c1ccc(cc1)SCC 527a_100015525214_100000244969 [0,2,0,0,0,0|1,1,0]=4 6003 B14R1.25 CCNC(=O)c1ccc(cc1)SCC 62a_100000155177_100000210202 [0,2,0,0,0,0|1,1,0]=4 6004 B14R1.25 CCNC(=O)c1ccc(cc1)SCC 62a_100000210202_100000155177 [0,2,0,0,0,0|1,1,0]=4 6005 B14R1.25 CCNC(=O)c1ccc(cc1)SCF 62a_100000155177_100015361967 [0,2,0,0,0,0|1,1,0]=4 6006 B14R1.25 CCNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000155177 [0,2,0,0,0,0|1,1,0]=4 6007 B14R1.25 CCNc1ccc(cn1)C(=O)OCC 27a_100015525214_100000170224 [0,2,0,0,0,0|2,0,0]=4 6008 B14R1.25 CCOC(=O)c1ccc(cc1)CNC 2230a_106832991635_100009812261 [0,2,0,0,0,0|1,0,0]=3 6009 B14R1.25 CCOC(=O)c1ccc(cc1)CNC 270004a_106832991635_100000170165 [0,2,0,0,0,0|1,0,0]=3 6010 B14R1.25 CCOC(=O)c1ccc(cc1)CNC 34a_100102657272_100009812261 [0,2,0,0,0,0|1,0,0]=3 6011 B14R1.25 CCOC(=O)c1ccc(cc1)CNC 7a_106832991635_100009812261 [0,2,0,0,0,0|1,0,0]=3 6012 B14R1.25 CCOC(=O)c1ccc(cc1)COC 34a_100138415774_100009812261 [0,2,0,0,0,0|0,0,0]=2 6013 B14R1.25 CCOC(=O)c1ccc(cc1)CSC 62a_100009812261_200000210301 [0,2,0,0,0,0|0,1,0]=3 6014 B14R1.25 CCOC(=O)c1ccc(cc1)CSC 62a_200000210301_100009812261 [0,2,0,0,0,0|0,1,0]=3 6015 B14R1.25 CCOC(=O)c1ccc(cc1)CS[13CH3] 62a_100009812261_200025704644 [0,2,0,0,0,0|0,1,0]=3 6016 B14R1.25 CCOC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100009812261 [0,2,0,0,0,0|0,1,0]=3 6017 B14R1.25 CCOC(=O)c1ccc(cc1)OCC 34a_100000169885_100000210202 [0,2,0,0,0,0|0,0,0]=2 6018 B14R1.25 CCOC(=O)c1ccc(cc1)OCC 7a_100000169885_100000210202 [0,2,0,0,0,0|0,0,0]=2 6019 B14R1.25 CCOC(=O)c1ccc(cc1)OCF 34a_100000169885_100015361967 [0,2,0,0,0,0|0,0,0]=2 6020 B14R1.25 CCOC(=O)c1ccc(cc1)OCF 7a_100000169885_100015361967 [0,2,0,0,0,0|0,0,0]=2 6021 B14R1.25 CCOC(=O)c1ccc(cc1)SCC 62a_100000169895_100000210202 [0,2,0,0,0,0|0,1,0]=3 6022 B14R1.25 CCOC(=O)c1ccc(cc1)SCC 62a_100000210202_100000169919 [0,2,0,0,0,0|0,1,0]=3 6023 B14R1.25 CCOC(=O)c1ccc(cc1)SCF 62a_100000169895_100015361967 [0,2,0,0,0,0|0,1,0]=3 6024 B14R1.25 CCOC(=O)c1ccc(cc1)SCF 62a_100015361967_100000169919 [0,2,0,0,0,0|0,1,0]=3 6025 B14R1.25 CCOC(=O)c1ccc(cn1)COC 7a_200010979131_200000210301 [0,2,0,0,0,0|1,0,0]=3 6026 B14R1.25 CCOC(=O)c1ccc(cn1)CO[13CH3] 7a_200010979131_200025704644 [0,2,0,0,0,0|1,0,0]=3 6027 B14R1.25 CCOC(=O)c1ccc(cn1)SCC 62a_100000210202_100011781174 [0,2,0,0,0,0|1,1,0]=4 6028 B14R1.25 CCOC(=O)c1ccc(cn1)SCC 62a_100011781174_100000210202 [0,2,0,0,0,0|1,1,0]=4 6029 B14R1.25 CCOC(=O)c1ccc(cn1)SCF 62a_100011781174_100015361967 [0,2,0,0,0,0|1,1,0]=4 6030 B14R1.25 CCOC(=O)c1ccc(cn1)SCF 62a_100015361967_100011781174 [0,2,0,0,0,0|1,1,0]=4 6031 B14R1.25 CCOC(=O)c1ccc(nc1)CNC 2230a_106832991635_100015196883 [0,2,0,0,0,0|2,0,0]=4 6032 B14R1.25 CCOC(=O)c1ccc(nc1)CNC 270004a_106832991635_200009890202 [0,2,0,0,0,0|2,0,0]=4 6033 B14R1.25 CCOC(=O)c1ccc(nc1)CNC 34a_100102657272_100015196883 [0,2,0,0,0,0|2,0,0]=4 6034 B14R1.25 CCOC(=O)c1ccc(nc1)CNC 7a_106832991635_100015196883 [0,2,0,0,0,0|2,0,0]=4 6035 B14R1.25 CCOC(=O)c1ccc(nc1)COC 34a_100138415774_100015196883 [0,2,0,0,0,0|1,0,0]=3 6036 B14R1.25 CCOC(=O)c1ccc(nc1)CSC 62a_100015196883_200000210301 [0,2,0,0,0,0|1,1,0]=4 6037 B14R1.25 CCOC(=O)c1ccc(nc1)CSC 62a_200000210301_100015196883 [0,2,0,0,0,0|1,1,0]=4 6038 B14R1.25 CCOC(=O)c1ccc(nc1)CS[13CH3] 62a_100015196883_200025704644 [0,2,0,0,0,0|1,1,0]=4 6039 B14R1.25 CCOC(=O)c1ccc(nc1)CS[13CH3] 62a_200025704644_100015196883 [0,2,0,0,0,0|1,1,0]=4 6040 B14R1.25 CCOC(=O)c1ccc(nc1)SCC 62a_100000210202_100000170224 [0,2,0,0,0,0|1,1,0]=4 6041 B14R1.25 CCOC(=O)c1ccc(nc1)SCC 62a_100011291635_100000210202 [0,2,0,0,0,0|1,1,0]=4 6042 B14R1.25 CCOC(=O)c1ccc(nc1)SCF 62a_100011291635_100015361967 [0,2,0,0,0,0|1,1,0]=4 6043 B14R1.25 CCOC(=O)c1ccc(nc1)SCF 62a_100015361967_100000170224 [0,2,0,0,0,0|1,1,0]=4 6044 B14R1.25 CCOc1ccc(cc1)C(=O)CC#N 1458a_100000181891_100011214920 [0,2,0,0,0,0|1,0,1]=4 6045 B14R1.25 CCOc1ccc(cc1)C(=O)CC#N 7a_100009871544_100000210202 [0,2,0,0,0,0|1,0,1]=4 6046 B14R1.25 CCOc1ccc(cc1)C(=O)CCCl 7a_100009879949_100000210202 [0,2,0,0,0,0|1,0,0]=3 6047 B14R1.25 CCOc1ccc(cc1)C(=O)CCF 1458a_100000181891_100011217306 [0,2,0,0,0,0|1,0,0]=3 6048 B14R1.25 CCOc1ccc(cc1)C(=O)CCO 1458a_100000181891_100000211926 [0,2,0,0,0,0|1,0,0]=3 6049 B14R1.25 CCOc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000203716 [0,2,0,0,0,0|1,0,0]=3 6050 B14R1.25 CCOc1ccc(cc1)C(=O)CNC 7a_106832991635_100000203716 [0,2,0,0,0,0|1,0,0]=3 6051 B14R1.25 CCOc1ccc(cc1)C(=O)COC 34a_200009861119_100000210202 [0,2,0,0,0,0|0,0,0]=2 6052 B14R1.25 CCOc1ccc(cc1)C(=O)COC 7a_200009861119_100000210202 [0,2,0,0,0,0|0,0,0]=2 6053 B14R1.25 CCOc1ccc(cc1)C(=O)CSC 62a_100000203716_200000210301 [0,2,0,0,0,0|0,1,0]=3 6054 B14R1.25 CCOc1ccc(cc1)C(=O)CS[13CH3] 62a_100000203716_200025704644 [0,2,0,0,0,0|0,1,0]=3 6055 B14R1.25 CCOc1ccc(cc1)C(=O)NNC 22a_100016993582_100000181891 [0,2,0,0,0,0|1,0,0]=3 6056 B14R1.25 CCOc1ccc(cc1)N(C)COC 2230a_100025784348_100000766300 [0,2,0,0,0,0|2,0,0]=4 6057 B14R1.25 CCOc1ccc(cc1)N(C)COC 269982a_100025784348_100000766300 [0,2,0,0,0,0|2,0,0]=4 6058 B14R1.25 CCOc1ccc(cc1)[C@@H](C)OCC 34a_100000761365_100000210202 [0,2,0,0,0,0|1,0,1]=4 6059 B14R1.25 CCOc1ccc(cc1)[C@@H](C)OCC 7a_100000761365_100000210202 [0,2,0,0,0,0|1,0,1]=4 6060 B14R1.25 CCOc1ccc(cc1)[C@@H](C)OCF 34a_100000761365_100015361967 [0,2,0,0,0,0|1,0,1]=4 6061 B14R1.25 CCOc1ccc(cc1)[C@@H](C)OCF 7a_100000761365_100015361967 [0,2,0,0,0,0|1,0,1]=4 6062 B14R1.25 CCSc1ccc(cc1)C(=O)CCF 1458a_100000244969_100011217306 [0,2,0,0,0,0|1,1,0]=4 6063 B14R1.25 CCSc1ccc(cc1)C(=O)CCO 1458a_100000244969_100000211926 [0,2,0,0,0,0|1,1,0]=4 6064 B14R1.25 CCSc1ccc(cc1)C(=O)COC 62a_200011343064_100000210202 [0,2,0,0,0,0|0,1,0]=3 6065 B14R1.25 CCSc1ccc(cc1)C(=O)NNC 22a_100016993582_100000244969 [0,2,0,0,0,0|1,1,0]=4 6066 B14R1.25 CNCc1ccc(cc1)C(=O)CCCl 26a_100102657272_100009879949 [0,2,0,0,0,0|2,0,0]=4 6067 B14R1.25 CNNC(=O)c1ccc(cc1)CCO 22a_100016993582_100000078963 [0,2,0,0,0,0|2,0,0]=4 6068 B14R1.25 CNNC(=O)c1ccc(cc1)COC 22a_100016993582_100000189608 [0,2,0,0,0,0|1,0,0]=3 6069 B14R1.25 CNNC(=O)c1ccc(cc1)CSC 22a_100016993582_100000175442 [0,2,0,0,0,0|1,1,0]=4 6070 B14R1.25 COCC(=O)c1ccc(cc1)OCF 34a_200009861119_100015361967 [0,2,0,0,0,0|0,0,0]=2 6071 B14R1.25 COCC(=O)c1ccc(cc1)OCF 7a_200009861119_100015361967 [0,2,0,0,0,0|0,0,0]=2 6072 B14R1.25 COCC(=O)c1ccc(cc1)SCF 62a_200011343064_100015361967 [0,2,0,0,0,0|0,1,0]=3 6073 B14R1.25 COCc1ccc(cc1)C(=O)CC#N 1458a_100000189608_100011214920 [0,2,0,0,0,0|1,0,1]=4 6074 B14R1.25 COCc1ccc(cc1)C(=O)CCF 1458a_100000189608_100011217306 [0,2,0,0,0,0|1,0,0]=3 6075 B14R1.25 COCc1ccc(cc1)C(=O)CCO 1458a_100000189608_100000211926 [0,2,0,0,0,0|1,0,0]=3 6076 B14R1.25 CSCc1ccc(cc1)C(=O)CCF 1458a_100000175442_100011217306 [0,2,0,0,0,0|1,1,0]=4 6077 B14R1.25 CSCc1ccc(cc1)C(=O)CCO 1458a_100000175442_100000211926 [0,2,0,0,0,0|1,1,0]=4 6078 B14R1.25 N#CCC(=O)c1ccc(cc1)OCF 7a_100009871544_100015361967 [0,2,0,0,0,0|1,0,1]=4 6079 B14R1.25 O=C(CCCl)c1ccc(cc1)OCF 7a_100009879949_100015361967 [0,2,0,0,0,0|1,0,0]=3 6080 B14R1.25 O=C(CCF)c1ccc(cc1)CCO 1458a_100000078963_100011217306 [0,2,0,0,0,0|2,0,0]=4 6081 B14R1.25 O=C(CCO)c1ccc(cc1)CCO 1458a_100000078963_100000211926 [0,2,0,0,0,0|2,0,0]=4 6082 B14R1.65 C#CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000038162 [0,2,0,0,0,0|2,0,0]=4 6083 B14R1.65 C#CCNc1ccc(cc1)C(=O)NC 27a_100000212058_100000155074 [0,2,0,0,0,0|2,0,0]=4 6084 B14R1.65 C#CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000184674 [0,2,0,0,0,0|2,0,0]=4 6085 B14R1.65 C#CCNc1ccc(cn1)C(=O)OC 27a_100000212058_100000733799 [0,2,0,0,0,0|2,0,0]=4 6086 B14R1.65 C#CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000038162 [0,2,0,0,0,0|2,0,0]=4 6087 B14R1.65 C#CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000184674 [0,2,0,0,0,0|1,0,0]=3 6088 B14R1.65 C#CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000038162 [0,2,0,0,0,0|1,0,0]=3 6089 B14R1.65 C#CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000038162 [0,2,0,0,0,0|2,0,0]=4 6090 B14R1.65 C#CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000184674 [0,2,0,0,0,0|2,0,0]=4 6091 B14R1.65 C#CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000038162 [0,2,0,0,0,0|2,0,0]=4 6092 B14R1.65 C#CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000184674 [0,2,0,0,0,0|1,0,0]=3 6093 B14R1.65 C#CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000038162 [0,2,0,0,0,0|1,0,0]=3 6094 B14R1.65 C#CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000184674 [0,2,0,0,0,0|2,0,0]=4 6095 B14R1.65 C#CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000184674 [0,2,0,0,0,0|0,0,0]=2 6096 B14R1.65 C#CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000038162 [0,2,0,0,0,0|0,0,0]=2 6097 B14R1.65 C#CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000184674 [0,2,0,0,0,0|1,0,1]=4 6098 B14R1.65 C#CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000038162 [0,2,0,0,0,0|1,0,1]=4 6099 B14R1.65 C#CCOc1ccc(nc1)C(=O)NC 34a_100009861314_100000184674 [0,2,0,0,0,0|2,0,0]=4 6100 B14R1.65 C#CCOc1ccc(nc1)C(=O)NC 7a_100009861314_100000038162 [0,2,0,0,0,0|2,0,0]=4 6101 B14R1.65 C#CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000184674 [0,2,0,0,0,0|1,0,0]=3 6102 B14R1.65 C#CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000038162 [0,2,0,0,0,0|1,0,0]=3 6103 B14R1.65 C#CCSc1ccc(cc1)C(=O)CC 62a_100000038162_100000211647 [0,2,0,0,0,0|1,1,0]=4 6104 B14R1.65 C#CCSc1ccc(cc1)C(=O)NC 62a_100000038162_100000155074 [0,2,0,0,0,0|1,1,0]=4 6105 B14R1.65 C#CCSc1ccc(cc1)C(=O)OC 62a_100000038162_100000150774 [0,2,0,0,0,0|0,1,0]=3 6106 B14R1.65 C#CCSc1ccc(cn1)C(=O)OC 62a_100000038162_100000733799 [0,2,0,0,0,0|1,1,0]=4 6107 B14R1.65 C#CCSc1ccc(nc1)C(=O)OC 62a_100000038162_100102712061 [0,2,0,0,0,0|1,1,0]=4 6108 B14R1.65 C=CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210623 [0,2,0,0,0,0|2,0,0]=4 6109 B14R1.65 C=CCNc1ccc(cc1)C(=O)NC 27a_100020586998_100000155074 [0,2,0,0,0,0|2,0,0]=4 6110 B14R1.65 C=CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100015514636 [0,2,0,0,0,0|2,0,0]=4 6111 B14R1.65 C=CCNc1ccc(cn1)C(=O)OC 27a_100020586998_100000733799 [0,2,0,0,0,0|2,0,0]=4 6112 B14R1.65 C=CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100015514636 [0,2,0,0,0,0|2,0,0]=4 6113 B14R1.65 C=CCOc1ccc(cc1)C(=O)CC 1458a_100000216320_100000210202 [0,2,0,0,0,0|1,0,0]=3 6114 B14R1.65 C=CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100015514636 [0,2,0,0,0,0|1,0,0]=3 6115 B14R1.65 C=CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100015514636 [0,2,0,0,0,0|1,0,0]=3 6116 B14R1.65 C=CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100015514636 [0,2,0,0,0,0|2,0,0]=4 6117 B14R1.65 C=CCOc1ccc(cc1)C(=O)CF 1458a_100000216320_100015361967 [0,2,0,0,0,0|2,0,0]=4 6118 B14R1.65 C=CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100015514636 [0,2,0,0,0,0|2,0,0]=4 6119 B14R1.65 C=CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100015514636 [0,2,0,0,0,0|2,0,0]=4 6120 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000216320 [0,2,0,0,0,0|1,0,0]=3 6121 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000216320 [0,2,0,0,0,0|1,0,0]=3 6122 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000216320 [0,2,0,0,0,0|1,0,0]=3 6123 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100015514636 [0,2,0,0,0,0|1,0,0]=3 6124 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000216320 [0,2,0,0,0,0|1,0,0]=3 6125 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100015514636 [0,2,0,0,0,0|1,0,0]=3 6126 B14R1.65 C=CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100015514636 [0,2,0,0,0,0|2,0,0]=4 6127 B14R1.65 C=CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100015514636 [0,2,0,0,0,0|0,0,0]=2 6128 B14R1.65 C=CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100015514636 [0,2,0,0,0,0|0,0,0]=2 6129 B14R1.65 C=CCOc1ccc(cc1)C(C)OC 34a_200010658654_100015514636 [0,2,0,0,0,0|1,0,1]=4 6130 B14R1.65 C=CCOc1ccc(cc1)C(C)OC 7a_200010658654_100015514636 [0,2,0,0,0,0|1,0,1]=4 6131 B14R1.65 C=CCOc1ccc(nc1)C(=O)NC 34a_100009861314_100015514636 [0,2,0,0,0,0|2,0,0]=4 6132 B14R1.65 C=CCOc1ccc(nc1)C(=O)NC 7a_100009861314_100015514636 [0,2,0,0,0,0|2,0,0]=4 6133 B14R1.65 C=CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100015514636 [0,2,0,0,0,0|1,0,0]=3 6134 B14R1.65 C=CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100015514636 [0,2,0,0,0,0|1,0,0]=3 6135 B14R1.65 C=CCSc1ccc(cc1)C(=O)CC 62a_100000210623_100000211647 [0,2,0,0,0,0|1,1,0]=4 6136 B14R1.65 C=CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210623 [0,2,0,0,0,0|1,1,0]=4 6137 B14R1.65 C=CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210623 [0,2,0,0,0,0|1,1,0]=4 6138 B14R1.65 C=CCSc1ccc(cc1)C(=O)NC 62a_100000210623_100000155074 [0,2,0,0,0,0|1,1,0]=4 6139 B14R1.65 C=CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210623 [0,2,0,0,0,0|0,1,0]=3 6140 B14R1.65 C=CCSc1ccc(cc1)C(=O)OC 62a_100000210623_100000150774 [0,2,0,0,0,0|0,1,0]=3 6141 B14R1.65 C=CCSc1ccc(cn1)C(=O)OC 62a_100000210623_100000733799 [0,2,0,0,0,0|1,1,0]=4 6142 B14R1.65 C=CCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000210623 [0,2,0,0,0,0|1,1,0]=4 6143 B14R1.65 C=CCSc1ccc(nc1)C(=O)OC 62a_100000210623_100102712061 [0,2,0,0,0,0|1,1,0]=4 6144 B14R1.65 C=CCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000210623 [0,2,0,0,0,0|1,1,0]=4 6145 B14R1.65 CCC(=O)c1ccc(cc1)OCC#N 7a_100000212119_100011215382 [0,2,0,0,0,0|1,0,0]=3 6146 B14R1.65 CCC(=O)c1ccc(cc1)OCC=O 34a_100000212119_200009817547 [0,2,0,0,0,0|1,0,0]=3 6147 B14R1.65 CCC(=O)c1ccc(cc1)OCC=O 7a_100000212119_200015260668 [0,2,0,0,0,0|1,0,0]=3 6148 B14R1.65 CCC(=O)c1ccc(cc1)OCCF 34a_100000212119_100011217306 [0,2,0,0,0,0|1,0,0]=3 6149 B14R1.65 CCC(=O)c1ccc(cc1)OCCF 7a_100000212119_100011217306 [0,2,0,0,0,0|1,0,0]=3 6150 B14R1.65 CCC(=O)c1ccc(cc1)OCCO 1458a_100000217286_100000210202 [0,2,0,0,0,0|1,0,0]=3 6151 B14R1.65 CCC(=O)c1ccc(cc1)OCCO 34a_100000212119_100000211926 [0,2,0,0,0,0|1,0,0]=3 6152 B14R1.65 CCC(=O)c1ccc(cc1)OCCO 7a_100000212119_100000211926 [0,2,0,0,0,0|1,0,0]=3 6153 B14R1.65 CCC(=O)c1ccc(cc1)OCOC 1458a_100000230389_100000210202 [0,2,0,0,0,0|1,0,0]=3 6154 B14R1.65 CCC(=O)c1ccc(cc1)OCSC 34a_100000212119_100011218213 [0,2,0,0,0,0|1,0,0]=3 6155 B14R1.65 CCC(=O)c1ccc(cc1)SCC#N 62a_100000211647_100011215382 [0,2,0,0,0,0|1,1,0]=4 6156 B14R1.65 CCC(=O)c1ccc(cc1)SCC#N 62a_100011215382_100000211647 [0,2,0,0,0,0|1,1,0]=4 6157 B14R1.65 CCC(=O)c1ccc(cc1)SCC=O 62a_100000211647_200015260668 [0,2,0,0,0,0|1,1,0]=4 6158 B14R1.65 CCC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000211647 [0,2,0,0,0,0|1,1,0]=4 6159 B14R1.65 CCC(=O)c1ccc(cc1)SCCF 62a_100000211647_100011217306 [0,2,0,0,0,0|1,1,0]=4 6160 B14R1.65 CCC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000211647 [0,2,0,0,0,0|1,1,0]=4 6161 B14R1.65 CCC(=O)c1ccc(cc1)SCCO 1458a_200000182347_100000210202 [0,2,0,0,0,0|1,1,0]=4 6162 B14R1.65 CCC(=O)c1ccc(cc1)SCCO 62a_100000211647_100000211926 [0,2,0,0,0,0|1,1,0]=4 6163 B14R1.65 CCC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000211647 [0,2,0,0,0,0|1,1,0]=4 6164 B14R1.65 CCC(=O)c1ccc(cc1)SCOC 62a_100000211647_100000766300 [0,2,0,0,0,0|1,0,0]=3 6165 B14R1.65 CCC(=O)c1ccc(cc1)SCOC 62a_100000766300_100000211647 [0,2,0,0,0,0|1,0,0]=3 6166 B14R1.65 CCC(=O)c1ccc(cc1)SCSC 62a_100000211647_100011218213 [0,2,0,0,0,0|1,1,0]=4 6167 B14R1.65 CCC(=O)c1ccc(cc1)SCSC 62a_100011218213_100000211647 [0,2,0,0,0,0|1,1,0]=4 6168 B14R1.65 CCC(=O)c1ccc(cn1)SCOC 62a_100000766300_100012351654 [0,2,0,0,0,0|2,0,0]=4 6169 B14R1.65 CCC(=O)c1ccc(cn1)SCOC 62a_100012351654_100000766300 [0,2,0,0,0,0|2,0,0]=4 6170 B14R1.65 CCCCc1ccc(cc1)C(=O)CC 1458a_100000186158_100000210202 [0,2,0,0,0,0|2,0,0]=4 6171 B14R1.65 CCCCc1ccc(cc1)C(=O)CC 271570a_100020621405_100000211647 [0,2,0,0,0,0|2,0,0]=4 6172 B14R1.65 CCCCc1ccc(cc1)C(=O)NC 11a_106832991635_100000186158 [0,2,0,0,0,0|2,0,0]=4 6173 B14R1.65 CCCCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000186158 [0,2,0,0,0,0|2,0,0]=4 6174 B14R1.65 CCCCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000186158 [0,2,0,0,0,0|2,0,0]=4 6175 B14R1.65 CCCCc1ccc(cc1)C(=O)NC 271570a_100020621405_100000155074 [0,2,0,0,0,0|2,0,0]=4 6176 B14R1.65 CCCCc1ccc(cc1)C(=O)NC 527a_100102657272_100000186158 [0,2,0,0,0,0|2,0,0]=4 6177 B14R1.65 CCCCc1ccc(cc1)C(=O)OC 271570a_100020621405_100000150774 [0,2,0,0,0,0|1,0,0]=3 6178 B14R1.65 CCCCc1ccc(cn1)C(=O)OC 271570a_100020621405_100000733799 [0,2,0,0,0,0|2,0,0]=4 6179 B14R1.65 CCCCc1ccc(nc1)C(=O)OC 271570a_100020621405_100000690920 [0,2,0,0,0,0|2,0,0]=4 6180 B14R1.65 CCCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210303 [0,2,0,0,0,0|2,0,0]=4 6181 B14R1.65 CCCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000210303 [0,2,0,0,0,0|2,0,0]=4 6182 B14R1.65 CCCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210303 [0,2,0,0,0,0|2,0,0]=4 6183 B14R1.65 CCCOc1ccc(cc1)C(=O)CC 1458a_100000182924_100000210202 [0,2,0,0,0,0|1,0,0]=3 6184 B14R1.65 CCCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210303 [0,2,0,0,0,0|1,0,0]=3 6185 B14R1.65 CCCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210303 [0,2,0,0,0,0|1,0,0]=3 6186 B14R1.65 CCCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210303 [0,2,0,0,0,0|2,0,0]=4 6187 B14R1.65 CCCOc1ccc(cc1)C(=O)CF 1458a_100000182924_100015361967 [0,2,0,0,0,0|2,0,0]=4 6188 B14R1.65 CCCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210303 [0,2,0,0,0,0|2,0,0]=4 6189 B14R1.65 CCCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210303 [0,2,0,0,0,0|2,0,0]=4 6190 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000182924 [0,2,0,0,0,0|1,0,0]=3 6191 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000182924 [0,2,0,0,0,0|1,0,0]=3 6192 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000182924 [0,2,0,0,0,0|1,0,0]=3 6193 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210303 [0,2,0,0,0,0|1,0,0]=3 6194 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000182924 [0,2,0,0,0,0|1,0,0]=3 6195 B14R1.65 CCCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210303 [0,2,0,0,0,0|1,0,0]=3 6196 B14R1.65 CCCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210303 [0,2,0,0,0,0|2,0,0]=4 6197 B14R1.65 CCCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210303 [0,2,0,0,0,0|0,0,0]=2 6198 B14R1.65 CCCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210303 [0,2,0,0,0,0|0,0,0]=2 6199 B14R1.65 CCCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210303 [0,2,0,0,0,0|1,0,1]=4 6200 B14R1.65 CCCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210303 [0,2,0,0,0,0|1,0,1]=4 6201 B14R1.65 CCCOc1ccc(nc1)C(=O)NC 34a_100009861314_100000210303 [0,2,0,0,0,0|2,0,0]=4 6202 B14R1.65 CCCOc1ccc(nc1)C(=O)NC 7a_100009861314_100000210303 [0,2,0,0,0,0|2,0,0]=4 6203 B14R1.65 CCCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000210303 [0,2,0,0,0,0|1,0,0]=3 6204 B14R1.65 CCCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000210303 [0,2,0,0,0,0|1,0,0]=3 6205 B14R1.65 CCCSc1ccc(cc1)C(=O)CC 62a_100000210303_100000211647 [0,2,0,0,0,0|1,1,0]=4 6206 B14R1.65 CCCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210303 [0,2,0,0,0,0|1,1,0]=4 6207 B14R1.65 CCCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210303 [0,2,0,0,0,0|1,1,0]=4 6208 B14R1.65 CCCSc1ccc(cc1)C(=O)NC 62a_100000210303_100000155074 [0,2,0,0,0,0|1,1,0]=4 6209 B14R1.65 CCCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210303 [0,2,0,0,0,0|0,1,0]=3 6210 B14R1.65 CCCSc1ccc(cc1)C(=O)OC 62a_100000210303_100000150774 [0,2,0,0,0,0|0,1,0]=3 6211 B14R1.65 CCCSc1ccc(cn1)C(=O)OC 62a_100000210303_100000733799 [0,2,0,0,0,0|1,1,0]=4 6212 B14R1.65 CCCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000210303 [0,2,0,0,0,0|1,1,0]=4 6213 B14R1.65 CCCSc1ccc(nc1)C(=O)OC 62a_100000210303_100102712061 [0,2,0,0,0,0|1,1,0]=4 6214 B14R1.65 CCCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000210303 [0,2,0,0,0,0|1,1,0]=4 6215 B14R1.65 CCNCc1ccc(cc1)C(=O)NC 207a_100015525214_100000043907 [0,2,0,0,0,0|2,0,0]=4 6216 B14R1.65 CCNCc1ccc(cc1)C(=O)NC 2230a_100000743749_100000210202 [0,2,0,0,0,0|2,0,0]=4 6217 B14R1.65 CCNCc1ccc(cc1)C(=O)NC 2230a_100015525214_100000753832 [0,2,0,0,0,0|2,0,0]=4 6218 B14R1.65 CCNCc1ccc(cc1)C(=O)NC 270004a_100015525214_100000043907 [0,2,0,0,0,0|2,0,0]=4 6219 B14R1.65 CCNCc1ccc(cc1)C(=O)NC 34a_100000743749_100000210202 [0,2,0,0,0,0|2,0,0]=4 6220 B14R1.65 CCNCc1ccc(cc1)C(=O)OC 2230a_100015525214_100000735637 [0,2,0,0,0,0|1,0,0]=3 6221 B14R1.65 CCNCc1ccc(cc1)C(=O)OC 270004a_100015525214_100000148700 [0,2,0,0,0,0|1,0,0]=3 6222 B14R1.65 CCNCc1ccc(cn1)C(=O)OC 2230a_100015525214_100000063545 [0,2,0,0,0,0|2,0,0]=4 6223 B14R1.65 CCNCc1ccc(cn1)C(=O)OC 270004a_100015525214_100000762506 [0,2,0,0,0,0|2,0,0]=4 6224 B14R1.65 CCNCc1ccc(nc1)C(=O)OC 2230a_100015525214_100010177729 [0,2,0,0,0,0|2,0,0]=4 6225 B14R1.65 CCNCc1ccc(nc1)C(=O)OC 270004a_100015525214_102516457225 [0,2,0,0,0,0|2,0,0]=4 6226 B14R1.65 CCOCc1ccc(cc1)C(=O)NC 34a_100121572206_100000753832 [0,2,0,0,0,0|1,0,0]=3 6227 B14R1.65 CCOCc1ccc(cc1)C(=O)OC 34a_100000151488_100000210202 [0,2,0,0,0,0|0,0,0]=2 6228 B14R1.65 CCOCc1ccc(cc1)C(=O)OC 34a_100121572206_100000735637 [0,2,0,0,0,0|0,0,0]=2 6229 B14R1.65 CCOCc1ccc(cc1)C(=O)OC 7a_100000151488_100000210202 [0,2,0,0,0,0|0,0,0]=2 6230 B14R1.65 CCOCc1ccc(cn1)C(=O)OC 34a_100000239634_100000210202 [0,2,0,0,0,0|1,0,0]=3 6231 B14R1.65 CCOCc1ccc(cn1)C(=O)OC 34a_100121572206_100010230174 [0,2,0,0,0,0|1,0,0]=3 6232 B14R1.65 CCOCc1ccc(nc1)C(=O)OC 34a_100009873365_100000210202 [0,2,0,0,0,0|1,0,0]=3 6233 B14R1.65 CCOCc1ccc(nc1)C(=O)OC 34a_100121572206_100010177729 [0,2,0,0,0,0|1,0,0]=3 6234 B14R1.65 CCOCc1ccc(nc1)C(=O)OC 7a_100009873365_100000210202 [0,2,0,0,0,0|1,0,0]=3 6235 B14R1.65 CCOCc1cnc(cn1)C(=O)OC 34a_100121572206_200010203303 [0,2,0,0,0,0|2,0,0]=4 6236 B14R1.65 CCSCc1ccc(cc1)C(=O)CC 1458a_100000193729_100000210202 [0,2,0,0,0,0|1,1,0]=4 6237 B14R1.65 CCSCc1ccc(cc1)C(=O)NC 11a_106832991635_100000193729 [0,2,0,0,0,0|1,1,0]=4 6238 B14R1.65 CCSCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000193729 [0,2,0,0,0,0|1,1,0]=4 6239 B14R1.65 CCSCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000193729 [0,2,0,0,0,0|1,1,0]=4 6240 B14R1.65 CCSCc1ccc(cc1)C(=O)NC 527a_100102657272_100000193729 [0,2,0,0,0,0|1,1,0]=4 6241 B14R1.65 CCSCc1ccc(cc1)C(=O)NC 62a_100000210202_100000753832 [0,2,0,0,0,0|1,1,0]=4 6242 B14R1.65 CCSCc1ccc(cc1)C(=O)NC 62a_100000753832_100000210202 [0,2,0,0,0,0|1,1,0]=4 6243 B14R1.65 CCSCc1ccc(cc1)C(=O)OC 62a_100000210202_100000187170 [0,2,0,0,0,0|0,1,0]=3 6244 B14R1.65 CCSCc1ccc(cc1)C(=O)OC 62a_100000735637_100000210202 [0,2,0,0,0,0|0,1,0]=3 6245 B14R1.65 CCSCc1ccc(cn1)C(=O)OC 62a_100000210202_100010230174 [0,2,0,0,0,0|1,1,0]=4 6246 B14R1.65 CCSCc1ccc(cn1)C(=O)OC 62a_100010230174_100000210202 [0,2,0,0,0,0|1,1,0]=4 6247 B14R1.65 CCSCc1ccc(nc1)C(=O)OC 62a_100000210202_100010177729 [0,2,0,0,0,0|1,1,0]=4 6248 B14R1.65 CCSCc1ccc(nc1)C(=O)OC 62a_100010177729_100000210202 [0,2,0,0,0,0|1,1,0]=4 6249 B14R1.65 CNC(=O)c1ccc(cc1)CNCF 34a_100000743749_100015361967 [0,2,0,0,0,0|2,0,0]=4 6250 B14R1.65 CNC(=O)c1ccc(cc1)CSCF 62a_100000753832_100015361967 [0,2,0,0,0,0|1,1,0]=4 6251 B14R1.65 CNC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000753832 [0,2,0,0,0,0|1,1,0]=4 6252 B14R1.65 CNC(=O)c1ccc(cc1)NCC#N 2230a_100000184841_100011215382 [0,2,0,0,0,0|2,0,0]=4 6253 B14R1.65 CNC(=O)c1ccc(cc1)NCC=O 2230a_100000184841_200015260668 [0,2,0,0,0,0|2,0,0]=4 6254 B14R1.65 CNC(=O)c1ccc(cc1)NCC=O 34a_100000184841_200009817547 [0,2,0,0,0,0|2,0,0]=4 6255 B14R1.65 CNC(=O)c1ccc(cc1)NCCF 2230a_100000184841_100011217306 [0,2,0,0,0,0|2,0,0]=4 6256 B14R1.65 CNC(=O)c1ccc(cc1)NCCF 34a_100000184841_100011217306 [0,2,0,0,0,0|2,0,0]=4 6257 B14R1.65 CNC(=O)c1ccc(cc1)NCCO 2230a_100000184841_100000211926 [0,2,0,0,0,0|2,0,0]=4 6258 B14R1.65 CNC(=O)c1ccc(cc1)NCCO 27a_100000210304_100000155074 [0,2,0,0,0,0|2,0,0]=4 6259 B14R1.65 CNC(=O)c1ccc(cc1)NCCO 34a_100000184841_100000211926 [0,2,0,0,0,0|2,0,0]=4 6260 B14R1.65 CNC(=O)c1ccc(cc1)NCOC 2230a_100000184841_100000766300 [0,2,0,0,0,0|1,0,0]=3 6261 B14R1.65 CNC(=O)c1ccc(cc1)NCSC 2230a_100000184841_100011218213 [0,2,0,0,0,0|1,1,0]=4 6262 B14R1.65 CNC(=O)c1ccc(cc1)NCSC 34a_100000184841_100011218213 [0,2,0,0,0,0|1,1,0]=4 6263 B14R1.65 CNC(=O)c1ccc(cc1)OCC#N 7a_100000192141_100011215382 [0,2,0,0,0,0|1,0,0]=3 6264 B14R1.65 CNC(=O)c1ccc(cc1)OCC=O 34a_100000192141_200009817547 [0,2,0,0,0,0|1,0,0]=3 6265 B14R1.65 CNC(=O)c1ccc(cc1)OCC=O 7a_100000192141_200015260668 [0,2,0,0,0,0|1,0,0]=3 6266 B14R1.65 CNC(=O)c1ccc(cc1)OCCF 34a_100000192141_100011217306 [0,2,0,0,0,0|1,0,0]=3 6267 B14R1.65 CNC(=O)c1ccc(cc1)OCCF 7a_100000192141_100011217306 [0,2,0,0,0,0|1,0,0]=3 6268 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 1626a_100102657272_100000217286 [0,2,0,0,0,0|1,0,0]=3 6269 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 240690a_100102657272_100000217286 [0,2,0,0,0,0|1,0,0]=3 6270 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 34a_100000192141_100000211926 [0,2,0,0,0,0|1,0,0]=3 6271 B14R1.65 CNC(=O)c1ccc(cc1)OCCO 7a_100000192141_100000211926 [0,2,0,0,0,0|1,0,0]=3 6272 B14R1.65 CNC(=O)c1ccc(cc1)OCOC 11a_106832991635_100000230389 [0,2,0,0,0,0|1,0,0]=3 6273 B14R1.65 CNC(=O)c1ccc(cc1)OCOC 1626a_100102657272_100000230389 [0,2,0,0,0,0|1,0,0]=3 6274 B14R1.65 CNC(=O)c1ccc(cc1)OCOC 240690a_100102657272_100000230389 [0,2,0,0,0,0|1,0,0]=3 6275 B14R1.65 CNC(=O)c1ccc(cc1)OCOC 527a_100102657272_100000230389 [0,2,0,0,0,0|1,0,0]=3 6276 B14R1.65 CNC(=O)c1ccc(cc1)OCSC 34a_100000192141_100011218213 [0,2,0,0,0,0|1,0,0]=3 6277 B14R1.65 CNC(=O)c1ccc(cc1)SCC#N 62a_100000155074_100011215382 [0,2,0,0,0,0|1,1,0]=4 6278 B14R1.65 CNC(=O)c1ccc(cc1)SCC#N 62a_100011215382_100000155074 [0,2,0,0,0,0|1,1,0]=4 6279 B14R1.65 CNC(=O)c1ccc(cc1)SCC=O 62a_100000155074_200015260668 [0,2,0,0,0,0|1,1,0]=4 6280 B14R1.65 CNC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000155074 [0,2,0,0,0,0|1,1,0]=4 6281 B14R1.65 CNC(=O)c1ccc(cc1)SCCF 62a_100000155074_100011217306 [0,2,0,0,0,0|1,1,0]=4 6282 B14R1.65 CNC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000155074 [0,2,0,0,0,0|1,1,0]=4 6283 B14R1.65 CNC(=O)c1ccc(cc1)SCCO 1626a_100102657272_200000182347 [0,2,0,0,0,0|1,1,0]=4 6284 B14R1.65 CNC(=O)c1ccc(cc1)SCCO 240690a_100102657272_200000182347 [0,2,0,0,0,0|1,1,0]=4 6285 B14R1.65 CNC(=O)c1ccc(cc1)SCCO 62a_100000155074_100000211926 [0,2,0,0,0,0|1,1,0]=4 6286 B14R1.65 CNC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000155074 [0,2,0,0,0,0|1,1,0]=4 6287 B14R1.65 CNC(=O)c1ccc(cc1)SCOC 62a_100000155074_100000766300 [0,2,0,0,0,0|1,0,0]=3 6288 B14R1.65 CNC(=O)c1ccc(cc1)SCOC 62a_100000766300_100000155074 [0,2,0,0,0,0|1,0,0]=3 6289 B14R1.65 CNC(=O)c1ccc(cc1)SCSC 62a_100000155074_100011218213 [0,2,0,0,0,0|1,1,0]=4 6290 B14R1.65 CNC(=O)c1ccc(cc1)SCSC 62a_100011218213_100000155074 [0,2,0,0,0,0|1,1,0]=4 6291 B14R1.65 CNC(=O)c1ccc(cn1)OCC#N 7a_100009861314_100011215382 [0,2,0,0,0,0|2,0,0]=4 6292 B14R1.65 CNC(=O)c1ccc(cn1)OCC=O 34a_100009861314_200009817547 [0,2,0,0,0,0|2,0,0]=4 6293 B14R1.65 CNC(=O)c1ccc(cn1)OCC=O 7a_100009861314_200015260668 [0,2,0,0,0,0|2,0,0]=4 6294 B14R1.65 CNC(=O)c1ccc(cn1)OCCF 34a_100009861314_100011217306 [0,2,0,0,0,0|2,0,0]=4 6295 B14R1.65 CNC(=O)c1ccc(cn1)OCCF 7a_100009861314_100011217306 [0,2,0,0,0,0|2,0,0]=4 6296 B14R1.65 CNC(=O)c1ccc(cn1)OCCO 34a_100009861314_100000211926 [0,2,0,0,0,0|2,0,0]=4 6297 B14R1.65 CNC(=O)c1ccc(cn1)OCCO 7a_100009861314_100000211926 [0,2,0,0,0,0|2,0,0]=4 6298 B14R1.65 CNC(=O)c1ccc(cn1)OCSC 34a_100009861314_100011218213 [0,2,0,0,0,0|2,0,0]=4 6299 B14R1.65 CNC(=O)c1ccc(cn1)SCOC 62a_100000766300_100011781262 [0,2,0,0,0,0|2,0,0]=4 6300 B14R1.65 CNC(=O)c1ccc(cn1)SCOC 62a_100011781262_100000766300 [0,2,0,0,0,0|2,0,0]=4 6301 B14R1.65 CNC(=O)c1ccc(nc1)SCOC 62a_100000159860_100000766300 [0,2,0,0,0,0|2,0,0]=4 6302 B14R1.65 CNC(=O)c1ccc(nc1)SCOC 62a_100000766300_100000159860 [0,2,0,0,0,0|2,0,0]=4 6303 B14R1.65 CNCCc1ccc(cc1)C(=O)OC 2230a_106832991635_100010192280 [0,2,0,0,0,0|1,0,0]=3 6304 B14R1.65 CNCCc1ccc(cc1)C(=O)OC 34a_100102657272_100010192280 [0,2,0,0,0,0|1,0,0]=3 6305 B14R1.65 CNCCc1ccc(cc1)C(=O)OC 7a_106832991635_100010192280 [0,2,0,0,0,0|1,0,0]=3 6306 B14R1.65 COC(=O)c1ccc(cc1)CCO[13CH3] 34a_100010779965_200025704644 [0,2,0,0,0,0|0,0,0]=2 6307 B14R1.65 COC(=O)c1ccc(cc1)CCO[13CH3] 7a_100010779965_200025704644 [0,2,0,0,0,0|0,0,0]=2 6308 B14R1.65 COC(=O)c1ccc(cc1)CCSC 62a_100010192280_200000210301 [0,2,0,0,0,0|0,1,0]=3 6309 B14R1.65 COC(=O)c1ccc(cc1)CCSC 62a_200000210301_100010192280 [0,2,0,0,0,0|0,1,0]=3 6310 B14R1.65 COC(=O)c1ccc(cc1)CCS[13CH3] 62a_100010192280_200025704644 [0,2,0,0,0,0|0,1,0]=3 6311 B14R1.65 COC(=O)c1ccc(cc1)CCS[13CH3] 62a_200025704644_100010192280 [0,2,0,0,0,0|0,1,0]=3 6312 B14R1.65 COC(=O)c1ccc(cc1)COCF 34a_100000151488_100015361967 [0,2,0,0,0,0|0,0,0]=2 6313 B14R1.65 COC(=O)c1ccc(cc1)COCF 7a_100000151488_100015361967 [0,2,0,0,0,0|0,0,0]=2 6314 B14R1.65 COC(=O)c1ccc(cc1)CSCF 62a_100000735637_100015361967 [0,2,0,0,0,0|0,1,0]=3 6315 B14R1.65 COC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000187170 [0,2,0,0,0,0|0,1,0]=3 6316 B14R1.65 COC(=O)c1ccc(cc1)OCC#N 7a_100000150123_100011215382 [0,2,0,0,0,0|0,0,0]=2 6317 B14R1.65 COC(=O)c1ccc(cc1)OCC=O 34a_100000150123_200009817547 [0,2,0,0,0,0|0,0,0]=2 6318 B14R1.65 COC(=O)c1ccc(cc1)OCC=O 7a_100000150123_200015260668 [0,2,0,0,0,0|0,0,0]=2 6319 B14R1.65 COC(=O)c1ccc(cc1)OCCF 34a_100000150123_100011217306 [0,2,0,0,0,0|0,0,0]=2 6320 B14R1.65 COC(=O)c1ccc(cc1)OCCF 7a_100000150123_100011217306 [0,2,0,0,0,0|0,0,0]=2 6321 B14R1.65 COC(=O)c1ccc(cc1)OCCO 34a_100000150123_100000211926 [0,2,0,0,0,0|0,0,0]=2 6322 B14R1.65 COC(=O)c1ccc(cc1)OCCO 7a_100000150123_100000211926 [0,2,0,0,0,0|0,0,0]=2 6323 B14R1.65 COC(=O)c1ccc(cc1)OCSC 34a_100000150123_100011218213 [0,2,0,0,0,0|0,0,0]=2 6324 B14R1.65 COC(=O)c1ccc(cc1)SCC#N 62a_100000150774_100011215382 [0,2,0,0,0,0|0,1,0]=3 6325 B14R1.65 COC(=O)c1ccc(cc1)SCC#N 62a_100011215382_100000150774 [0,2,0,0,0,0|0,1,0]=3 6326 B14R1.65 COC(=O)c1ccc(cc1)SCC=O 62a_100000150774_200015260668 [0,2,0,0,0,0|0,1,0]=3 6327 B14R1.65 COC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000150774 [0,2,0,0,0,0|0,1,0]=3 6328 B14R1.65 COC(=O)c1ccc(cc1)SCCF 62a_100000150774_100011217306 [0,2,0,0,0,0|0,1,0]=3 6329 B14R1.65 COC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000150774 [0,2,0,0,0,0|0,1,0]=3 6330 B14R1.65 COC(=O)c1ccc(cc1)SCCO 62a_100000150774_100000211926 [0,2,0,0,0,0|0,1,0]=3 6331 B14R1.65 COC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000150774 [0,2,0,0,0,0|0,1,0]=3 6332 B14R1.65 COC(=O)c1ccc(cc1)SCSC 62a_100000150774_100011218213 [0,2,0,0,0,0|0,1,0]=3 6333 B14R1.65 COC(=O)c1ccc(cc1)SCSC 62a_100011218213_100000150774 [0,2,0,0,0,0|0,1,0]=3 6334 B14R1.65 COC(=O)c1ccc(cn1)COCF 34a_100009873365_100015361967 [0,2,0,0,0,0|1,0,0]=3 6335 B14R1.65 COC(=O)c1ccc(cn1)COCF 7a_100009873365_100015361967 [0,2,0,0,0,0|1,0,0]=3 6336 B14R1.65 COC(=O)c1ccc(cn1)CSCF 62a_100010177729_100015361967 [0,2,0,0,0,0|1,1,0]=4 6337 B14R1.65 COC(=O)c1ccc(cn1)CSCF 62a_100015361967_100010177729 [0,2,0,0,0,0|1,1,0]=4 6338 B14R1.65 COC(=O)c1ccc(cn1)OCC#N 7a_100011997255_100011215382 [0,2,0,0,0,0|1,0,0]=3 6339 B14R1.65 COC(=O)c1ccc(cn1)OCC=O 34a_100011997255_200009817547 [0,2,0,0,0,0|1,0,0]=3 6340 B14R1.65 COC(=O)c1ccc(cn1)OCC=O 7a_100011997255_200015260668 [0,2,0,0,0,0|1,0,0]=3 6341 B14R1.65 COC(=O)c1ccc(cn1)OCCF 34a_100011997255_100011217306 [0,2,0,0,0,0|1,0,0]=3 6342 B14R1.65 COC(=O)c1ccc(cn1)OCCF 7a_100011997255_100011217306 [0,2,0,0,0,0|1,0,0]=3 6343 B14R1.65 COC(=O)c1ccc(cn1)OCCO 34a_100011997255_100000211926 [0,2,0,0,0,0|1,0,0]=3 6344 B14R1.65 COC(=O)c1ccc(cn1)OCCO 7a_100011997255_100000211926 [0,2,0,0,0,0|1,0,0]=3 6345 B14R1.65 COC(=O)c1ccc(cn1)OCSC 34a_100011997255_100011218213 [0,2,0,0,0,0|1,0,0]=3 6346 B14R1.65 COC(=O)c1ccc(cn1)SCC#N 62a_100011215382_100102712061 [0,2,0,0,0,0|1,1,0]=4 6347 B14R1.65 COC(=O)c1ccc(cn1)SCC#N 62a_100102712061_100011215382 [0,2,0,0,0,0|1,1,0]=4 6348 B14R1.65 COC(=O)c1ccc(cn1)SCC=O 62a_100102712061_200015260668 [0,2,0,0,0,0|1,1,0]=4 6349 B14R1.65 COC(=O)c1ccc(cn1)SCC=O 62a_200015260668_100102712061 [0,2,0,0,0,0|1,1,0]=4 6350 B14R1.65 COC(=O)c1ccc(cn1)SCCF 62a_100011217306_100102712061 [0,2,0,0,0,0|1,1,0]=4 6351 B14R1.65 COC(=O)c1ccc(cn1)SCCF 62a_100102712061_100011217306 [0,2,0,0,0,0|1,1,0]=4 6352 B14R1.65 COC(=O)c1ccc(cn1)SCCO 62a_100000211926_100102712061 [0,2,0,0,0,0|1,1,0]=4 6353 B14R1.65 COC(=O)c1ccc(cn1)SCCO 62a_100102712061_100000211926 [0,2,0,0,0,0|1,1,0]=4 6354 B14R1.65 COC(=O)c1ccc(cn1)SCSC 62a_100011218213_100102712061 [0,2,0,0,0,0|1,1,0]=4 6355 B14R1.65 COC(=O)c1ccc(cn1)SCSC 62a_100102712061_100011218213 [0,2,0,0,0,0|1,1,0]=4 6356 B14R1.65 COC(=O)c1ccc(nc1)COCF 34a_100000239634_100015361967 [0,2,0,0,0,0|1,0,0]=3 6357 B14R1.65 COC(=O)c1ccc(nc1)CSCF 62a_100010230174_100015361967 [0,2,0,0,0,0|1,1,0]=4 6358 B14R1.65 COC(=O)c1ccc(nc1)CSCF 62a_100015361967_100010230174 [0,2,0,0,0,0|1,1,0]=4 6359 B14R1.65 COC(=O)c1ccc(nc1)NCCO 27a_100000210304_100000733799 [0,2,0,0,0,0|2,0,0]=4 6360 B14R1.65 COC(=O)c1ccc(nc1)SCC#N 62a_100000733799_100011215382 [0,2,0,0,0,0|1,1,0]=4 6361 B14R1.65 COC(=O)c1ccc(nc1)SCC#N 62a_100011215382_100000733799 [0,2,0,0,0,0|1,1,0]=4 6362 B14R1.65 COC(=O)c1ccc(nc1)SCC=O 62a_100000733799_200015260668 [0,2,0,0,0,0|1,1,0]=4 6363 B14R1.65 COC(=O)c1ccc(nc1)SCC=O 62a_200015260668_100000733799 [0,2,0,0,0,0|1,1,0]=4 6364 B14R1.65 COC(=O)c1ccc(nc1)SCCF 62a_100000733799_100011217306 [0,2,0,0,0,0|1,1,0]=4 6365 B14R1.65 COC(=O)c1ccc(nc1)SCCF 62a_100011217306_100000733799 [0,2,0,0,0,0|1,1,0]=4 6366 B14R1.65 COC(=O)c1ccc(nc1)SCCO 62a_100000211926_100000733799 [0,2,0,0,0,0|1,1,0]=4 6367 B14R1.65 COC(=O)c1ccc(nc1)SCCO 62a_100000733799_100000211926 [0,2,0,0,0,0|1,1,0]=4 6368 B14R1.65 COC(=O)c1ccc(nc1)SCSC 62a_100000733799_100011218213 [0,2,0,0,0,0|1,1,0]=4 6369 B14R1.65 COC(=O)c1ccc(nc1)SCSC 62a_100011218213_100000733799 [0,2,0,0,0,0|1,1,0]=4 6370 B14R1.65 COC(C)c1ccc(cc1)OCC#N 7a_200010658654_100011215382 [0,2,0,0,0,0|1,0,1]=4 6371 B14R1.65 COC(C)c1ccc(cc1)OCC=O 34a_200010658654_200009817547 [0,2,0,0,0,0|1,0,1]=4 6372 B14R1.65 COC(C)c1ccc(cc1)OCC=O 7a_200010658654_200015260668 [0,2,0,0,0,0|1,0,1]=4 6373 B14R1.65 COC(C)c1ccc(cc1)OCCF 34a_200010658654_100011217306 [0,2,0,0,0,0|1,0,1]=4 6374 B14R1.65 COC(C)c1ccc(cc1)OCCF 7a_200010658654_100011217306 [0,2,0,0,0,0|1,0,1]=4 6375 B14R1.65 COC(C)c1ccc(cc1)OCCO 34a_200010658654_100000211926 [0,2,0,0,0,0|1,0,1]=4 6376 B14R1.65 COC(C)c1ccc(cc1)OCCO 7a_200010658654_100000211926 [0,2,0,0,0,0|1,0,1]=4 6377 B14R1.65 COC(C)c1ccc(cc1)OCSC 34a_200010658654_100011218213 [0,2,0,0,0,0|1,0,1]=4 6378 B14R1.65 COCCc1ccc(cc1)C(=O)OC 34a_100010779965_200000210301 [0,2,0,0,0,0|0,0,0]=2 6379 B14R1.65 COCCc1ccc(cc1)C(=O)OC 34a_100138415774_100010192280 [0,2,0,0,0,0|0,0,0]=2 6380 B14R1.65 COCCc1ccc(cc1)C(=O)OC 7a_100010779965_200000210301 [0,2,0,0,0,0|0,0,0]=2 6381 B14R1.65 COCOc1ccc(cc1)C(=O)CF 1458a_100000230389_100015361967 [0,2,0,0,0,0|2,0,0]=4 6382 B14R1.65 COCSc1ccc(cc1)C(=O)C#N 62a_100000766300_100009994572 [0,2,0,0,0,0|2,0,0]=4 6383 B14R1.65 COCSc1ccc(cc1)C(=O)C=O 62a_100000725942_100000766300 [0,2,0,0,0,0|2,0,0]=4 6384 B14R1.65 COCSc1ccc(cc1)C(=O)C=O 62a_100000766300_100000725942 [0,2,0,0,0,0|2,0,0]=4 6385 B14R1.65 COCSc1ccc(cc1)C(=O)CN 62a_100000017248_100000766300 [0,2,0,0,0,0|2,0,0]=4 6386 B14R1.65 COCSc1ccc(cc1)C(=O)CN 62a_100000766300_100000017248 [0,2,0,0,0,0|2,0,0]=4 6387 B14R1.65 COCSc1ccc(cc1)C(=O)CO 62a_100000766300_100011219529 [0,2,0,0,0,0|2,0,0]=4 6388 B14R1.65 COCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000766300 [0,2,0,0,0,0|2,0,0]=4 6389 B14R1.65 COCSc1ccc(cc1)C(=O)NN 62a_100000183614_100000766300 [0,2,0,0,0,0|2,0,0]=4 6390 B14R1.65 COCSc1ccc(cc1)C(=O)NN 62a_100000766300_100000183614 [0,2,0,0,0,0|2,0,0]=4 6391 B14R1.65 COCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000766300 [0,2,0,0,0,0|0,0,0]=2 6392 B14R1.65 COCSc1ccc(cc1)C(=O)OC 62a_100000766300_100000150774 [0,2,0,0,0,0|0,0,0]=2 6393 B14R1.65 COCSc1ccc(cc1)C(C)OC 62a_100000766300_100010254937 [0,2,0,0,0,0|1,0,1]=4 6394 B14R1.65 COCSc1ccc(cc1)C(C)OC 62a_100010254937_100000766300 [0,2,0,0,0,0|1,0,1]=4 6395 B14R1.65 COCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000766300 [0,2,0,0,0,0|1,0,0]=3 6396 B14R1.65 COCSc1ccc(cn1)C(=O)OC 62a_100000766300_100000733799 [0,2,0,0,0,0|1,0,0]=3 6397 B14R1.65 COCSc1ccc(nc1)C(=O)OC 62a_100000766300_100102712061 [0,2,0,0,0,0|1,0,0]=3 6398 B14R1.65 COCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000766300 [0,2,0,0,0,0|1,0,0]=3 6399 B14R1.65 COCSc1ccc(nn1)C(=O)OC 62a_100000738951_100000766300 [0,2,0,0,0,0|2,0,0]=4 6400 B14R1.65 COCSc1ccc(nn1)C(=O)OC 62a_100000766300_100000738951 [0,2,0,0,0,0|2,0,0]=4 6401 B14R1.65 COCSc1cnc(cn1)C(=O)OC 62a_100000766300_100010219404 [0,2,0,0,0,0|2,0,0]=4 6402 B14R1.65 COCSc1cnc(cn1)C(=O)OC 62a_100010219404_100000766300 [0,2,0,0,0,0|2,0,0]=4 6403 B14R1.65 COCSc1cnc(nc1)C(=O)OC 62a_100000690087_100000766300 [0,2,0,0,0,0|2,0,0]=4 6404 B14R1.65 COCSc1cnc(nc1)C(=O)OC 62a_100000766300_100000690087 [0,2,0,0,0,0|2,0,0]=4 6405 B14R1.65 COCSc1ncc(cn1)C(=O)OC 62a_100000729365_100000766300 [0,2,0,0,0,0|2,0,0]=4 6406 B14R1.65 COCSc1ncc(cn1)C(=O)OC 62a_100000766300_100000729365 [0,2,0,0,0,0|2,0,0]=4 6407 B14R1.65 CSCOc1ccc(cc1)C(=O)CF 34a_200010654591_100011218213 [0,2,0,0,0,0|2,0,0]=4 6408 B14R1.65 CSCOc1ccc(cc1)C(=O)NN 34a_100000185078_100011218213 [0,2,0,0,0,0|2,0,0]=4 6409 B14R1.65 N#CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100011215382 [0,2,0,0,0,0|2,0,0]=4 6410 B14R1.65 N#CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100011215382 [0,2,0,0,0,0|2,0,0]=4 6411 B14R1.65 N#CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100011215382 [0,2,0,0,0,0|2,0,0]=4 6412 B14R1.65 NNC(=O)c1ccc(cc1)OCC=O 34a_100000185078_200009817547 [0,2,0,0,0,0|2,0,0]=4 6413 B14R1.65 NNC(=O)c1ccc(cc1)OCCF 34a_100000185078_100011217306 [0,2,0,0,0,0|2,0,0]=4 6414 B14R1.65 NNC(=O)c1ccc(cc1)OCCO 34a_100000185078_100000211926 [0,2,0,0,0,0|2,0,0]=4 6415 B14R1.65 O=C(CBr)c1ccc(cc1)OCCF 7a_100009814261_100011217306 [0,2,0,0,0,0|2,0,0]=4 6416 B14R1.65 O=C(CBr)c1ccc(cc1)OCCO 7a_100009814261_100000211926 [0,2,0,0,0,0|2,0,0]=4 6417 B14R1.65 O=C(CCl)c1ccc(cc1)OCCF 7a_100000018856_100011217306 [0,2,0,0,0,0|2,0,0]=4 6418 B14R1.65 O=C(CCl)c1ccc(cc1)OCCO 7a_100000018856_100000211926 [0,2,0,0,0,0|2,0,0]=4 6419 B14R1.65 O=C(CF)c1ccc(cc1)OCCF 34a_200010654591_100011217306 [0,2,0,0,0,0|2,0,0]=4 6420 B14R1.65 O=C(CF)c1ccc(cc1)OCCF 7a_200010654591_100011217306 [0,2,0,0,0,0|2,0,0]=4 6421 B14R1.65 O=C(CF)c1ccc(cc1)OCCO 1458a_100000217286_100015361967 [0,2,0,0,0,0|2,0,0]=4 6422 B14R1.65 O=C(CF)c1ccc(cc1)OCCO 34a_200010654591_100000211926 [0,2,0,0,0,0|2,0,0]=4 6423 B14R1.65 O=C(CF)c1ccc(cc1)OCCO 7a_200010654591_100000211926 [0,2,0,0,0,0|2,0,0]=4 6424 B14R1.65 O=CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_200015260668 [0,2,0,0,0,0|2,0,0]=4 6425 B14R1.65 O=CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_200015260668 [0,2,0,0,0,0|2,0,0]=4 6426 B14R1.65 O=CCOc1ccc(cc1)C(=O)CF 34a_200010654591_200009817547 [0,2,0,0,0,0|2,0,0]=4 6427 B14R1.65 O=CCOc1ccc(cc1)C(=O)CF 7a_200010654591_200015260668 [0,2,0,0,0,0|2,0,0]=4 6428 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210206 [0,2,0,0,0,0|2,0,0]=4 6429 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210206 [0,2,0,0,0,0|2,0,0]=4 6430 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CF 1458a_100000182917_100015361967 [0,2,0,0,0,0|2,0,0]=4 6431 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CF 34a_200010654591_100000210206 [0,2,0,0,0,0|2,0,0]=4 6432 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CF 7a_200010654591_100000210206 [0,2,0,0,0,0|2,0,0]=4 6433 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)NN 34a_100000185078_100000210206 [0,2,0,0,0,0|2,0,0]=4 6434 B14R1.717 CCC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000211647 [0,2,0,0,0,0|2,0,0]=4 6435 B14R1.717 CCC(=O)c1ccc(cc1)CC(C)C 1458a_100000185289_100000210202 [0,2,0,0,0,0|2,0,0]=4 6436 B14R1.717 CCC(=O)c1ccc(cc1)CN(C)C 1458a_100000749272_100000210202 [0,2,0,0,0,0|2,0,0]=4 6437 B14R1.717 CCC(=O)c1ccc(cc1)NC(=O)C 1458a_100000185149_100000210202 [0,2,0,0,0,0|2,0,0]=4 6438 B14R1.717 CCC(=O)c1ccc(cc1)OC(C)C 1458a_100000182917_100000210202 [0,2,0,0,0,0|1,0,0]=3 6439 B14R1.717 CCC(=O)c1ccc(cc1)OC(C)C 34a_100000212119_100000210206 [0,2,0,0,0,0|1,0,0]=3 6440 B14R1.717 CCC(=O)c1ccc(cc1)OC(C)C 7a_100000212119_100000210206 [0,2,0,0,0,0|1,0,0]=3 6441 B14R1.717 CCC(=O)c1ccc(cc1)OC(F)F 1458a_100000183673_100000210202 [0,2,0,0,0,0|1,0,0]=3 6442 B14R1.717 CCC(=O)c1ccc(cc1)SC(C)C 1458a_100000244970_100000210202 [0,2,0,0,0,0|1,1,0]=4 6443 B14R1.717 CCC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000211647 [0,2,0,0,0,0|1,1,0]=4 6444 B14R1.717 CCC(=O)c1ccc(cc1)SC(C)C 62a_100000211647_100000210206 [0,2,0,0,0,0|1,1,0]=4 6445 B14R1.717 CCC(=O)c1ccc(cc1)SC(F)F 1458a_100000735404_100000210202 [0,2,0,0,0,0|1,1,0]=4 6446 B14R1.717 CCC(=O)c1ccc(nc1)OC(F)F 1458a_100009845188_100000210202 [0,2,0,0,0,0|2,0,0]=4 6447 B14R1.717 CNC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000155074 [0,2,0,0,0,0|2,0,0]=4 6448 B14R1.717 CNC(=O)c1ccc(cc1)CC(=O)C 1458a_100000070787_100000753832 [0,2,0,0,0,0|2,0,0]=4 6449 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 11a_106832991635_100000185289 [0,2,0,0,0,0|2,0,0]=4 6450 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 1626a_100102657272_100000185289 [0,2,0,0,0,0|2,0,0]=4 6451 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 240690a_100102657272_100000185289 [0,2,0,0,0,0|2,0,0]=4 6452 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 527a_100102657272_100000185289 [0,2,0,0,0,0|2,0,0]=4 6453 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 11a_106832991635_100000749272 [0,2,0,0,0,0|2,0,0]=4 6454 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 1626a_100102657272_100000749272 [0,2,0,0,0,0|2,0,0]=4 6455 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 2230a_100102631434_100000753832 [0,2,0,0,0,0|2,0,0]=4 6456 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 240690a_100102657272_100000749272 [0,2,0,0,0,0|2,0,0]=4 6457 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 269982a_100102631434_100000753832 [0,2,0,0,0,0|2,0,0]=4 6458 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 270004a_100102631434_100000043907 [0,2,0,0,0,0|2,0,0]=4 6459 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 527a_100102657272_100000749272 [0,2,0,0,0,0|2,0,0]=4 6460 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 11a_100000184841_100015343762 [0,2,0,0,0,0|2,0,0]=4 6461 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 11a_106832991635_100000185149 [0,2,0,0,0,0|2,0,0]=4 6462 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 1626a_100000184841_100015343762 [0,2,0,0,0,0|2,0,0]=4 6463 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 1626a_100102657272_100000185149 [0,2,0,0,0,0|2,0,0]=4 6464 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 22a_100000184841_100000070787 [0,2,0,0,0,0|2,0,0]=4 6465 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 240690a_100102657272_100000185149 [0,2,0,0,0,0|2,0,0]=4 6466 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 527a_100000184841_100103153847 [0,2,0,0,0,0|2,0,0]=4 6467 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 527a_100102657272_100000185149 [0,2,0,0,0,0|2,0,0]=4 6468 B14R1.717 CNC(=O)c1ccc(cc1)NC(C)C 2230a_100000184841_100000210206 [0,2,0,0,0,0|2,0,0]=4 6469 B14R1.717 CNC(=O)c1ccc(cc1)NC(C)C 27a_100138425928_100000155074 [0,2,0,0,0,0|2,0,0]=4 6470 B14R1.717 CNC(=O)c1ccc(cc1)NC(C)C 34a_100000184841_100000210206 [0,2,0,0,0,0|2,0,0]=4 6471 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 11a_106832991635_100000188978 [0,2,0,0,0,0|1,0,0]=3 6472 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 1626a_100102657272_100000188978 [0,2,0,0,0,0|1,0,0]=3 6473 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 240690a_100102657272_100000188978 [0,2,0,0,0,0|1,0,0]=3 6474 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 11a_106832991635_100000182917 [0,2,0,0,0,0|1,0,0]=3 6475 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 1626a_100102657272_100000182917 [0,2,0,0,0,0|1,0,0]=3 6476 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 240690a_100102657272_100000182917 [0,2,0,0,0,0|1,0,0]=3 6477 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 34a_100000192141_100000210206 [0,2,0,0,0,0|1,0,0]=3 6478 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 527a_100102657272_100000182917 [0,2,0,0,0,0|1,0,0]=3 6479 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 7a_100000192141_100000210206 [0,2,0,0,0,0|1,0,0]=3 6480 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 11a_106832991635_100000183673 [0,2,0,0,0,0|1,0,0]=3 6481 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 1626a_100102657272_100000183673 [0,2,0,0,0,0|1,0,0]=3 6482 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 240690a_100102657272_100000183673 [0,2,0,0,0,0|1,0,0]=3 6483 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 527a_100102657272_100000183673 [0,2,0,0,0,0|1,0,0]=3 6484 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 11a_106832991635_100000244970 [0,2,0,0,0,0|1,1,0]=4 6485 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 1626a_100102657272_100000244970 [0,2,0,0,0,0|1,1,0]=4 6486 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 240690a_100102657272_100000244970 [0,2,0,0,0,0|1,1,0]=4 6487 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 527a_100102657272_100000244970 [0,2,0,0,0,0|1,1,0]=4 6488 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 62a_100000155074_100000210206 [0,2,0,0,0,0|1,1,0]=4 6489 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000155074 [0,2,0,0,0,0|1,1,0]=4 6490 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 11a_106832991635_100000735404 [0,2,0,0,0,0|1,1,0]=4 6491 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 1626a_100102657272_100000735404 [0,2,0,0,0,0|1,1,0]=4 6492 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 240690a_100102657272_100000735404 [0,2,0,0,0,0|1,1,0]=4 6493 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 527a_100102657272_100000735404 [0,2,0,0,0,0|1,1,0]=4 6494 B14R1.717 CNC(=O)c1ccc(cn1)OC(C)C 34a_100009861314_100000210206 [0,2,0,0,0,0|2,0,0]=4 6495 B14R1.717 CNC(=O)c1ccc(cn1)OC(C)C 7a_100009861314_100000210206 [0,2,0,0,0,0|2,0,0]=4 6496 B14R1.717 CNC(=O)c1ccc(nc1)OC(F)F 11a_106832991635_100009845188 [0,2,0,0,0,0|2,0,0]=4 6497 B14R1.717 CNC(=O)c1ccc(nc1)OC(F)F 1626a_100102657272_100009845188 [0,2,0,0,0,0|2,0,0]=4 6498 B14R1.717 CNC(=O)c1ccc(nc1)OC(F)F 240690a_100102657272_100009845188 [0,2,0,0,0,0|2,0,0]=4 6499 B14R1.717 CNC(=O)c1ccc(nc1)OC(F)F 527a_100102657272_100009845188 [0,2,0,0,0,0|2,0,0]=4 6500 B14R1.717 COC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000150774 [0,2,0,0,0,0|1,0,0]=3 6501 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)C 1458a_100000070787_100000735637 [0,2,0,0,0,0|1,0,0]=3 6502 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)C 1458a_100012277402_200000210301 [0,2,0,0,0,0|1,0,0]=3 6503 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)[13CH3] 1458a_100012277402_200025704644 [0,2,0,0,0,0|1,0,0]=3 6504 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 2230a_100000737656_200000210301 [0,2,0,0,0,0|1,0,0]=3 6505 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 2230a_100102631434_100000735637 [0,2,0,0,0,0|1,0,0]=3 6506 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 269982a_100000737656_200000210301 [0,2,0,0,0,0|1,0,0]=3 6507 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 269982a_100102631434_100000735637 [0,2,0,0,0,0|1,0,0]=3 6508 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 270004a_100102631434_100000148700 [0,2,0,0,0,0|1,0,0]=3 6509 B14R1.717 COC(=O)c1ccc(cc1)CN(C)[13CH3] 2230a_100000737656_200025704644 [0,2,0,0,0,0|1,0,0]=3 6510 B14R1.717 COC(=O)c1ccc(cc1)CN(C)[13CH3] 269982a_100000737656_200025704644 [0,2,0,0,0,0|1,0,0]=3 6511 B14R1.717 COC(=O)c1ccc(cc1)NC(=O)C 188690a_100016994500_100015343762 [0,2,0,0,0,0|1,0,0]=3 6512 B14R1.717 COC(=O)c1ccc(cc1)OC(C)C 34a_100000150123_100000210206 [0,2,0,0,0,0|0,0,0]=2 6513 B14R1.717 COC(=O)c1ccc(cc1)OC(C)C 7a_100000150123_100000210206 [0,2,0,0,0,0|0,0,0]=2 6514 B14R1.717 COC(=O)c1ccc(cc1)SC(C)C 62a_100000150774_100000210206 [0,2,0,0,0,0|0,1,0]=3 6515 B14R1.717 COC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000150774 [0,2,0,0,0,0|0,1,0]=3 6516 B14R1.717 COC(=O)c1ccc(cn1)C=C(C)C 271570a_100102525489_100000690920 [0,2,0,0,0,0|2,0,0]=4 6517 B14R1.717 COC(=O)c1ccc(cn1)CC(=O)C 1458a_100000070787_100010177729 [0,2,0,0,0,0|2,0,0]=4 6518 B14R1.717 COC(=O)c1ccc(cn1)CN(C)C 2230a_100102631434_100010177729 [0,2,0,0,0,0|2,0,0]=4 6519 B14R1.717 COC(=O)c1ccc(cn1)CN(C)C 269982a_100102631434_100010177729 [0,2,0,0,0,0|2,0,0]=4 6520 B14R1.717 COC(=O)c1ccc(cn1)CN(C)C 270004a_100102631434_102516457225 [0,2,0,0,0,0|2,0,0]=4 6521 B14R1.717 COC(=O)c1ccc(cn1)OC(C)C 34a_100011997255_100000210206 [0,2,0,0,0,0|1,0,0]=3 6522 B14R1.717 COC(=O)c1ccc(cn1)OC(C)C 7a_100011997255_100000210206 [0,2,0,0,0,0|1,0,0]=3 6523 B14R1.717 COC(=O)c1ccc(cn1)SC(C)C 62a_100000210206_100102712061 [0,2,0,0,0,0|1,1,0]=4 6524 B14R1.717 COC(=O)c1ccc(cn1)SC(C)C 62a_100102712061_100000210206 [0,2,0,0,0,0|1,1,0]=4 6525 B14R1.717 COC(=O)c1ccc(nc1)C=C(C)C 271570a_100102525489_100000733799 [0,2,0,0,0,0|2,0,0]=4 6526 B14R1.717 COC(=O)c1ccc(nc1)CC(=O)C 1458a_100000070787_100010230174 [0,2,0,0,0,0|2,0,0]=4 6527 B14R1.717 COC(=O)c1ccc(nc1)CN(C)C 2230a_100102631434_100000063545 [0,2,0,0,0,0|2,0,0]=4 6528 B14R1.717 COC(=O)c1ccc(nc1)CN(C)C 269982a_100102631434_100000063545 [0,2,0,0,0,0|2,0,0]=4 6529 B14R1.717 COC(=O)c1ccc(nc1)CN(C)C 270004a_100102631434_100000762506 [0,2,0,0,0,0|2,0,0]=4 6530 B14R1.717 COC(=O)c1ccc(nc1)NC(C)C 27a_100138425928_100000733799 [0,2,0,0,0,0|2,0,0]=4 6531 B14R1.717 COC(=O)c1ccc(nc1)SC(C)C 62a_100000210206_100000733799 [0,2,0,0,0,0|1,1,0]=4 6532 B14R1.717 COC(=O)c1ccc(nc1)SC(C)C 62a_100000733799_100000210206 [0,2,0,0,0,0|1,1,0]=4 6533 B14R1.717 COC(C)c1ccc(cc1)OC(C)C 34a_200010658654_100000210206 [0,2,0,0,0,0|1,0,1]=4 6534 B14R1.717 COC(C)c1ccc(cc1)OC(C)C 7a_200010658654_100000210206 [0,2,0,0,0,0|1,0,1]=4 6535 B14R1.717 O=C(CF)c1ccc(cc1)OC(F)F 1458a_100000183673_100015361967 [0,2,0,0,0,0|2,0,0]=4 6536 B14R1.718 CCC(=O)c1ccc(cc1)C(=O)NC 1458a_100011298788_100000210202 [0,2,0,0,0,0|2,0,0]=4 6537 B14R1.718 CCC(=O)c1ccc(cc1)C(=O)OC 1458a_100000211811_100000210202 [0,2,0,0,0,0|1,0,0]=3 6538 B14R1.718 CCN(C)c1ccc(cc1)C(=O)OC 2230a_100000220287_100000210202 [0,2,0,0,0,0|1,0,0]=3 6539 B14R1.718 CCN(C)c1ccc(cc1)C(=O)OC 269982a_100000220287_100000204670 [0,2,0,0,0,0|1,0,0]=3 6540 B14R1.718 CCN(C)c1ccc(cc1)C(=O)OC 34a_100000220287_100000210202 [0,2,0,0,0,0|1,0,0]=3 6541 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)CF 1458a_100011298788_100015361967 [0,2,0,0,0,0|2,0,0]=4 6542 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 11a_106832991635_100011298788 [0,2,0,0,0,0|2,0,0]=4 6543 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 1626a_100102657272_100011298788 [0,2,0,0,0,0|2,0,0]=4 6544 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 240690a_100102657272_100011298788 [0,2,0,0,0,0|2,0,0]=4 6545 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 527a_100102657272_100011298788 [0,2,0,0,0,0|2,0,0]=4 6546 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 11a_106832991635_100000211811 [0,2,0,0,0,0|1,0,0]=3 6547 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 1626a_100102657272_100000211811 [0,2,0,0,0,0|1,0,0]=3 6548 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 240690a_100102657272_100000211811 [0,2,0,0,0,0|1,0,0]=3 6549 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 527a_100102657272_100000211811 [0,2,0,0,0,0|1,0,0]=3 6550 B14R1.718 CNC(C)c1ccc(cc1)C(=O)OC 2230a_106832991635_100010159609 [0,2,0,0,0,0|1,0,0]=3 6551 B14R1.718 CNC(C)c1ccc(cc1)C(=O)OC 7a_106832991635_100010159609 [0,2,0,0,0,0|1,0,0]=3 6552 B14R1.718 COC(=O)c1ccc(cc1)C(=O)CF 1458a_100000211811_100015361967 [0,2,0,0,0,0|1,0,0]=3 6553 B14R1.718 COC(=O)c1ccc(cc1)C(C)OC 34a_100000036437_200000210301 [0,2,0,0,0,0|0,0,0]=2 6554 B14R1.718 COC(=O)c1ccc(cc1)C(C)OC 7a_100000036437_200000210301 [0,2,0,0,0,0|0,0,0]=2 6555 B14R1.718 COC(=O)c1ccc(cc1)C(C)O[13CH3] 34a_100000036437_200025704644 [0,2,0,0,0,0|0,0,0]=2 6556 B14R1.718 COC(=O)c1ccc(cc1)C(C)O[13CH3] 7a_100000036437_200025704644 [0,2,0,0,0,0|0,0,0]=2 6557 B14R1.718 COC(=O)c1ccc(cc1)C(C)SC 62a_100010159609_200000210301 [0,2,0,0,0,0|0,1,0]=3 6558 B14R1.718 COC(=O)c1ccc(cc1)C(C)SC 62a_200000210301_100010159609 [0,2,0,0,0,0|0,1,0]=3 6559 B14R1.718 COC(=O)c1ccc(cc1)C(C)S[13CH3] 62a_100010159609_200025704644 [0,2,0,0,0,0|0,1,0]=3 6560 B14R1.718 COC(=O)c1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100010159609 [0,2,0,0,0,0|0,1,0]=3 6561 B14R1.718 COC(=O)c1ccc(cc1)N(C)CF 269982a_100000220287_100015361967 [0,2,0,0,0,0|1,0,0]=3 6562 B14R1.718 COC(=O)c1ccc(cc1)N(C)CF 34a_100000220287_100015361967 [0,2,0,0,0,0|1,0,0]=3 6563 B14R1.3125 CC=Cc1ccc(cc1)S(=O)(=O)OC 271570a_100016259895_100000004522 [0,2,0,0,0,0|2,0,0]=4 6564 B14R1.3125 CCOc1ccc(cc1)S(=O)(=O)NC 270084a_100102657272_100000182814 [0,2,0,0,0,0|2,0,0]=4 6565 B14R1.3125 CCOc1ccc(cc1)S(=O)(=O)NC 274078a_100102657272_100000182814 [0,2,0,0,0,0|2,0,0]=4 6566 B14R1.3125 CCOc1ccc(cc1)S(=O)(=O)NC 40a_100102657272_100010301650 [0,2,0,0,0,0|2,0,0]=4 6567 B14R1.6720 C=C=Cc1ccc(cc1Br)C(=O)OC 271570a_100015277604_100011294788 [0,2,0,0,0,0|1,0,1]=4 6568 B14R1.6720 C=C=Cc1ccc(cc1C)C(=O)OC 271570a_100015277604_100011215878 [0,2,0,0,0,0|1,0,1]=4 6569 B14R1.6720 C=C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100015277604_100012356344 [0,2,0,0,0,0|1,0,1]=4 6570 B14R1.6720 C=C=Cc1ccc(cc1F)C(=O)OC 271570a_100015277604_100000703229 [0,2,0,0,0,0|1,0,1]=4 6571 B14R1.6720 C=C=Cc1ccc(cc1N)C(=O)OC 271570a_100015277604_100011450966 [0,2,0,0,0,0|1,0,1]=4 6572 B14R1.6720 C=C=Cc1ccc(cc1O)C(=O)OC 271570a_100015277604_100012350776 [0,2,0,0,0,0|1,0,1]=4 6573 B14R1.6720 CC=Cc1ccc(cc1Br)C(=O)OC 271570a_100016259895_100011294788 [0,2,0,0,0,0|1,0,0]=3 6574 B14R1.6720 CC=Cc1ccc(cc1C)C(=O)CC 271570a_100016259895_200012349626 [0,2,0,0,0,0|2,0,0]=4 6575 B14R1.6720 CC=Cc1ccc(cc1C)C(=O)NC 271570a_100016259895_200013065384 [0,2,0,0,0,0|2,0,0]=4 6576 B14R1.6720 CC=Cc1ccc(cc1C)C(=O)OC 271570a_100016259895_100011215878 [0,2,0,0,0,0|1,0,0]=3 6577 B14R1.6720 CC=Cc1ccc(cc1Cl)C(=O)OC 271570a_100016259895_100012356344 [0,2,0,0,0,0|1,0,0]=3 6578 B14R1.6720 CC=Cc1ccc(cc1F)C(=O)OC 271570a_100016259895_100000703229 [0,2,0,0,0,0|1,0,0]=3 6579 B14R1.6720 CC=Cc1ccc(cc1N)C(=O)OC 271570a_100016259895_100011450966 [0,2,0,0,0,0|1,0,0]=3 6580 B14R1.6720 CC=Cc1ccc(cc1O)C(=O)OC 271570a_100016259895_100012350776 [0,2,0,0,0,0|1,0,0]=3 6581 B14R1.6720 CC=Cc1ccc(nc1C)C(=O)OC 271570a_100016259895_100010207261 [0,2,0,0,0,0|2,0,0]=4 6582 B14R1.6720 CC=Cc1ccc(nc1F)C(=O)OC 271570a_100016259895_100010189630 [0,2,0,0,0,0|2,0,0]=4 6583 B14R1.6720 CC=Cc1ccc(nc1N)C(=O)OC 271570a_100016259895_100010187631 [0,2,0,0,0,0|2,0,0]=4 6584 B14R1.6720 CC=Cc1ccc(nc1O)C(=O)OC 271570a_100016259895_100010189637 [0,2,0,0,0,0|2,0,0]=4 6585 B14R1.6720 CC=Cc1cnc(cc1C)C(=O)OC 271570a_100016259895_100010080863 [0,2,0,0,0,0|2,0,0]=4 6586 B14R1.6720 CC=Cc1cnc(cc1N)C(=O)OC 271570a_100016259895_100016001589 [0,2,0,0,0,0|2,0,0]=4 6587 B14R1.6720 CC=Cc1ncc(cc1Br)C(=O)OC 271570a_100016259895_100010114297 [0,2,0,0,0,0|2,0,0]=4 6588 B14R1.6720 CC=Cc1ncc(cc1C)C(=O)OC 271570a_100016259895_100009862495 [0,2,0,0,0,0|2,0,0]=4 6589 B14R1.6720 CC=Cc1ncc(cc1F)C(=O)OC 271570a_100016259895_100010189625 [0,2,0,0,0,0|2,0,0]=4 6590 B14R1.6720 CC=Cc1ncc(cc1N)C(=O)OC 271570a_100016259895_100000079130 [0,2,0,0,0,0|2,0,0]=4 6591 B14R1.6720 CC=Cc1ncc(cc1O)C(=O)OC 271570a_100016259895_100010999399 [0,2,0,0,0,0|2,0,0]=4 6592 B14R1.6720 CCC(=O)c1ccc(c(c1)C)SCF 62a_100015361967_200012349626 [0,2,0,0,0,0|1,1,0]=4 6593 B14R1.6720 CCC(=O)c1ccc(c(c1)C)SCF 62a_200012349626_100015361967 [0,2,0,0,0,0|1,1,0]=4 6594 B14R1.6720 CCC(=O)c1ccc(c(c1)Cl)CNC 26a_100102657272_100011218862 [0,2,0,0,0,0|2,0,0]=4 6595 B14R1.6720 CCC(=O)c1ccc(c(c1)Cl)OCF 34a_100011218862_100015361967 [0,2,0,0,0,0|1,0,0]=3 6596 B14R1.6720 CCC(=O)c1ccc(c(c1)Cl)OCF 7a_100011218862_100015361967 [0,2,0,0,0,0|1,0,0]=3 6597 B14R1.6720 CCCc1ccc(cc1Br)C(=O)CC 1458a_200010235943_100000210202 [0,2,0,0,0,0|2,0,0]=4 6598 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 11a_106832991635_200010235943 [0,2,0,0,0,0|2,0,0]=4 6599 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_200010235943 [0,2,0,0,0,0|2,0,0]=4 6600 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_200010235943 [0,2,0,0,0,0|2,0,0]=4 6601 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 527a_100102657272_200010235943 [0,2,0,0,0,0|2,0,0]=4 6602 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 2230a_100000739472_100000210202 [0,2,0,0,0,0|2,0,0]=4 6603 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 27a_100015525214_200013065384 [0,2,0,0,0,0|2,0,0]=4 6604 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 34a_100000739472_100000210202 [0,2,0,0,0,0|2,0,0]=4 6605 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 7a_100000739472_100000210202 [0,2,0,0,0,0|2,0,0]=4 6606 B14R1.6720 CCNc1ccc(nc1F)C(=O)OC 27a_100015525214_100010189630 [0,2,0,0,0,0|2,0,0]=4 6607 B14R1.6720 CCNc1ncc(cc1Br)C(=O)OC 27a_100015525214_100010114297 [0,2,0,0,0,0|2,0,0]=4 6608 B14R1.6720 CCNc1ncc(cc1C)C(=O)OC 27a_100015525214_100009862495 [0,2,0,0,0,0|2,0,0]=4 6609 B14R1.6720 CCNc1ncc(cc1F)C(=O)OC 27a_100015525214_100009877320 [0,2,0,0,0,0|2,0,0]=4 6610 B14R1.6720 CCNc1ncc(cc1N)C(=O)OC 27a_100015525214_100000079130 [0,2,0,0,0,0|2,0,0]=4 6611 B14R1.6720 CCOc1ccc(cc1Br)C(=O)CC 1458a_100000230806_100000210202 [0,2,0,0,0,0|1,0,0]=3 6612 B14R1.6720 CCOc1ccc(cc1Br)C(=O)CF 1458a_100000230806_100015361967 [0,2,0,0,0,0|2,0,0]=4 6613 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 11a_106832991635_100000230806 [0,2,0,0,0,0|1,0,0]=3 6614 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100000230806 [0,2,0,0,0,0|1,0,0]=3 6615 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100000230806 [0,2,0,0,0,0|1,0,0]=3 6616 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 527a_100102657272_100000230806 [0,2,0,0,0,0|1,0,0]=3 6617 B14R1.6720 CCOc1ccc(cc1Br)C(=O)OC 34a_100000216328_100000210202 [0,2,0,0,0,0|0,0,0]=2 6618 B14R1.6720 CCOc1ccc(cc1Br)C(=O)OC 7a_100000216328_100000210202 [0,2,0,0,0,0|0,0,0]=2 6619 B14R1.6720 CCOc1ccc(cc1C)C(=O)OC 34a_100011997373_100000210202 [0,2,0,0,0,0|0,0,0]=2 6620 B14R1.6720 CCOc1ccc(cc1C)C(=O)OC 7a_100011997373_100000210202 [0,2,0,0,0,0|0,0,0]=2 6621 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CC 1458a_100000230665_100000210202 [0,2,0,0,0,0|1,0,0]=3 6622 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CC 34a_100011218862_100000210202 [0,2,0,0,0,0|1,0,0]=3 6623 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CC 7a_100011218862_100000210202 [0,2,0,0,0,0|1,0,0]=3 6624 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_100000210202 [0,2,0,0,0,0|2,0,0]=4 6625 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CF 1458a_100000230665_100015361967 [0,2,0,0,0,0|2,0,0]=4 6626 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 11a_106832991635_100000230665 [0,2,0,0,0,0|1,0,0]=3 6627 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 1626a_100102657272_100000230665 [0,2,0,0,0,0|1,0,0]=3 6628 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 240690a_100102657272_100000230665 [0,2,0,0,0,0|1,0,0]=3 6629 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 527a_100102657272_100000230665 [0,2,0,0,0,0|1,0,0]=3 6630 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)OC 34a_100000151454_100000210202 [0,2,0,0,0,0|0,0,0]=2 6631 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)OC 7a_100000151454_100000210202 [0,2,0,0,0,0|0,0,0]=2 6632 B14R1.6720 CCOc1ccc(cc1F)C(=O)OC 34a_100000075456_100000210202 [0,2,0,0,0,0|0,0,0]=2 6633 B14R1.6720 CCOc1ccc(cc1F)C(=O)OC 7a_100000075456_100000210202 [0,2,0,0,0,0|0,0,0]=2 6634 B14R1.6720 CCOc1ccc(cc1I)C(=O)OC 34a_100010162523_100000210202 [0,2,0,0,0,0|0,0,0]=2 6635 B14R1.6720 CCOc1ccc(cc1I)C(=O)OC 7a_100010162523_100000210202 [0,2,0,0,0,0|0,0,0]=2 6636 B14R1.6720 CCOc1ccc(cc1N)C(=O)NN 34a_200000039609_100000210202 [0,2,0,0,0,0|2,0,0]=4 6637 B14R1.6720 CCOc1ccc(cc1N)C(=O)OC 34a_100000724433_100000210202 [0,2,0,0,0,0|0,0,0]=2 6638 B14R1.6720 CCOc1ccc(cc1N)C(=O)OC 7a_100000724433_100000210202 [0,2,0,0,0,0|0,0,0]=2 6639 B14R1.6720 CCOc1ccc(nc1Br)C(=O)OC 34a_200009815348_100000210202 [0,2,0,0,0,0|1,0,0]=3 6640 B14R1.6720 CCOc1ccc(nc1Br)C(=O)OC 7a_200009815348_100000210202 [0,2,0,0,0,0|1,0,0]=3 6641 B14R1.6720 CCOc1ncc(cc1Br)C(=O)OC 34a_100015192546_100000210202 [0,2,0,0,0,0|1,0,0]=3 6642 B14R1.6720 CCSc1ccc(cc1Br)C(=O)OC 62a_100000210202_100011294788 [0,2,0,0,0,0|0,1,0]=3 6643 B14R1.6720 CCSc1ccc(cc1Br)C(=O)OC 62a_100011294788_100000210202 [0,2,0,0,0,0|0,1,0]=3 6644 B14R1.6720 CCSc1ccc(cc1C)C(=O)CC 62a_100000210202_200012349626 [0,2,0,0,0,0|1,1,0]=4 6645 B14R1.6720 CCSc1ccc(cc1C)C(=O)CC 62a_200012349626_100000210202 [0,2,0,0,0,0|1,1,0]=4 6646 B14R1.6720 CCSc1ccc(cc1C)C(=O)NC 62a_100000210202_200013065384 [0,2,0,0,0,0|1,1,0]=4 6647 B14R1.6720 CCSc1ccc(cc1C)C(=O)NC 62a_200013065384_100000210202 [0,2,0,0,0,0|1,1,0]=4 6648 B14R1.6720 CCSc1ccc(cc1C)C(=O)OC 62a_100000210202_100011215878 [0,2,0,0,0,0|0,1,0]=3 6649 B14R1.6720 CCSc1ccc(cc1C)C(=O)OC 62a_100011215878_100000210202 [0,2,0,0,0,0|0,1,0]=3 6650 B14R1.6720 CCSc1ccc(cc1Cl)C(=O)OC 62a_100000210202_100012356344 [0,2,0,0,0,0|0,1,0]=3 6651 B14R1.6720 CCSc1ccc(cc1Cl)C(=O)OC 62a_100012356344_100000210202 [0,2,0,0,0,0|0,1,0]=3 6652 B14R1.6720 CCSc1ccc(cc1F)C(=O)OC 62a_100000210202_100000703229 [0,2,0,0,0,0|0,1,0]=3 6653 B14R1.6720 CCSc1ccc(cc1F)C(=O)OC 62a_100000703229_100000210202 [0,2,0,0,0,0|0,1,0]=3 6654 B14R1.6720 CCSc1ccc(cc1N)C(=O)OC 62a_100000210202_100011450966 [0,2,0,0,0,0|0,1,0]=3 6655 B14R1.6720 CCSc1ccc(cc1N)C(=O)OC 62a_100011450966_100000210202 [0,2,0,0,0,0|0,1,0]=3 6656 B14R1.6720 CCSc1ccc(cc1O)C(=O)OC 62a_100000210202_100012350776 [0,2,0,0,0,0|0,1,0]=3 6657 B14R1.6720 CCSc1ccc(cc1O)C(=O)OC 62a_100012350776_100000210202 [0,2,0,0,0,0|0,1,0]=3 6658 B14R1.6720 CCSc1ccc(nc1C)C(=O)OC 62a_100000210202_100010207261 [0,2,0,0,0,0|1,1,0]=4 6659 B14R1.6720 CCSc1ccc(nc1C)C(=O)OC 62a_100010207261_100000210202 [0,2,0,0,0,0|1,1,0]=4 6660 B14R1.6720 CCSc1ccc(nc1F)C(=O)OC 62a_100000210202_100010189630 [0,2,0,0,0,0|1,1,0]=4 6661 B14R1.6720 CCSc1ccc(nc1F)C(=O)OC 62a_100010189630_100000210202 [0,2,0,0,0,0|1,1,0]=4 6662 B14R1.6720 CCSc1ccc(nc1N)C(=O)OC 62a_100010187631_100000210202 [0,2,0,0,0,0|1,1,0]=4 6663 B14R1.6720 CCSc1ccc(nc1O)C(=O)OC 62a_100000210202_100010189637 [0,2,0,0,0,0|1,1,0]=4 6664 B14R1.6720 CCSc1cnc(cc1C)C(=O)OC 62a_100000210202_100010080863 [0,2,0,0,0,0|1,1,0]=4 6665 B14R1.6720 CCSc1cnc(cc1C)C(=O)OC 62a_100010080863_100000210202 [0,2,0,0,0,0|1,1,0]=4 6666 B14R1.6720 CCSc1cnc(cc1N)C(=O)OC 62a_100000210202_100016001589 [0,2,0,0,0,0|1,1,0]=4 6667 B14R1.6720 CCSc1cnc(cc1N)C(=O)OC 62a_100016001589_100000210202 [0,2,0,0,0,0|1,1,0]=4 6668 B14R1.6720 CCSc1ncc(cc1Br)C(=O)OC 62a_100000210202_100010114297 [0,2,0,0,0,0|1,1,0]=4 6669 B14R1.6720 CCSc1ncc(cc1Br)C(=O)OC 62a_100010114297_100000210202 [0,2,0,0,0,0|1,1,0]=4 6670 B14R1.6720 CCSc1ncc(cc1C)C(=O)OC 62a_100000210202_100009862495 [0,2,0,0,0,0|1,1,0]=4 6671 B14R1.6720 CCSc1ncc(cc1C)C(=O)OC 62a_200010136688_100000210202 [0,2,0,0,0,0|1,1,0]=4 6672 B14R1.6720 CCSc1ncc(cc1F)C(=O)OC 62a_100000210202_100010189625 [0,2,0,0,0,0|1,1,0]=4 6673 B14R1.6720 CCSc1ncc(cc1F)C(=O)OC 62a_100010189625_100000210202 [0,2,0,0,0,0|1,1,0]=4 6674 B14R1.6720 CCSc1ncc(cc1N)C(=O)OC 62a_100000210202_100000079130 [0,2,0,0,0,0|1,1,0]=4 6675 B14R1.6720 CCSc1ncc(cc1O)C(=O)OC 62a_100000210202_100010999399 [0,2,0,0,0,0|1,1,0]=4 6676 B14R1.6720 CCSc1ncc(cc1O)C(=O)OC 62a_100010999399_100000210202 [0,2,0,0,0,0|1,1,0]=4 6677 B14R1.6720 CNC(=O)c1ccc(c(c1)C)NCF 34a_100000739472_100015361967 [0,2,0,0,0,0|2,0,0]=4 6678 B14R1.6720 CNC(=O)c1ccc(c(c1)C)NCF 7a_100000739472_100015361967 [0,2,0,0,0,0|2,0,0]=4 6679 B14R1.6720 CNC(=O)c1ccc(c(c1)C)SCF 62a_100015361967_200013065384 [0,2,0,0,0,0|1,1,0]=4 6680 B14R1.6720 CNC(=O)c1ccc(c(c1)C)SCF 62a_200013065384_100015361967 [0,2,0,0,0,0|1,1,0]=4 6681 B14R1.6720 CNCc1ccc(cc1Br)C(=O)OC 2230a_106832991635_100010201862 [0,2,0,0,0,0|1,0,0]=3 6682 B14R1.6720 CNCc1ccc(cc1Br)C(=O)OC 26a_100102657272_100000216328 [0,2,0,0,0,0|1,0,0]=3 6683 B14R1.6720 CNCc1ccc(cc1Br)C(=O)OC 270004a_106832991635_100000727569 [0,2,0,0,0,0|1,0,0]=3 6684 B14R1.6720 CNCc1ccc(cc1Br)C(=O)OC 34a_100102657272_100010201862 [0,2,0,0,0,0|1,0,0]=3 6685 B14R1.6720 CNCc1ccc(cc1Br)C(=O)OC 7a_106832991635_100010201862 [0,2,0,0,0,0|1,0,0]=3 6686 B14R1.6720 CNCc1ccc(cc1C)C(=O)OC 270004a_106832991635_100010289884 [0,2,0,0,0,0|1,0,0]=3 6687 B14R1.6720 CNCc1ccc(cc1Cl)C(=O)OC 2230a_106832991635_100012194053 [0,2,0,0,0,0|1,0,0]=3 6688 B14R1.6720 CNCc1ccc(cc1Cl)C(=O)OC 26a_100102657272_100000151454 [0,2,0,0,0,0|1,0,0]=3 6689 B14R1.6720 CNCc1ccc(cc1Cl)C(=O)OC 270004a_106832991635_100012179231 [0,2,0,0,0,0|1,0,0]=3 6690 B14R1.6720 CNCc1ccc(cc1Cl)C(=O)OC 34a_100102657272_100012194053 [0,2,0,0,0,0|1,0,0]=3 6691 B14R1.6720 CNCc1ccc(cc1Cl)C(=O)OC 7a_106832991635_100012194053 [0,2,0,0,0,0|1,0,0]=3 6692 B14R1.6720 CNCc1ccc(cc1F)C(=O)OC 2230a_106832991635_100000694138 [0,2,0,0,0,0|1,0,0]=3 6693 B14R1.6720 CNCc1ccc(cc1F)C(=O)OC 26a_100102657272_100000075456 [0,2,0,0,0,0|1,0,0]=3 6694 B14R1.6720 CNCc1ccc(cc1F)C(=O)OC 270004a_106832991635_100012178685 [0,2,0,0,0,0|1,0,0]=3 6695 B14R1.6720 CNCc1ccc(cc1F)C(=O)OC 34a_100102657272_100000694138 [0,2,0,0,0,0|1,0,0]=3 6696 B14R1.6720 CNCc1ccc(cc1F)C(=O)OC 7a_106832991635_100000694138 [0,2,0,0,0,0|1,0,0]=3 6697 B14R1.6720 COC(=O)c1cc(c(cn1)SCF)C 62a_100010080863_100015361967 [0,2,0,0,0,0|1,1,0]=4 6698 B14R1.6720 COC(=O)c1cc(c(cn1)SCF)C 62a_100015361967_100010080863 [0,2,0,0,0,0|1,1,0]=4 6699 B14R1.6720 COC(=O)c1cc(c(cn1)SCF)N 62a_100015361967_100016001589 [0,2,0,0,0,0|1,1,0]=4 6700 B14R1.6720 COC(=O)c1cc(c(cn1)SCF)N 62a_100016001589_100015361967 [0,2,0,0,0,0|1,1,0]=4 6701 B14R1.6720 COC(=O)c1ccc(c(c1)Br)CO[13CH3] 34a_100012355398_200025704644 [0,2,0,0,0,0|0,0,0]=2 6702 B14R1.6720 COC(=O)c1ccc(c(c1)Br)CO[13CH3] 7a_100012355398_200025704644 [0,2,0,0,0,0|0,0,0]=2 6703 B14R1.6720 COC(=O)c1ccc(c(c1)Br)CSC 62a_100010201862_200000210301 [0,2,0,0,0,0|0,1,0]=3 6704 B14R1.6720 COC(=O)c1ccc(c(c1)Br)CSC 62a_200000210301_100010201862 [0,2,0,0,0,0|0,1,0]=3 6705 B14R1.6720 COC(=O)c1ccc(c(c1)Br)CS[13CH3] 62a_100010201862_200025704644 [0,2,0,0,0,0|0,1,0]=3 6706 B14R1.6720 COC(=O)c1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100010201862 [0,2,0,0,0,0|0,1,0]=3 6707 B14R1.6720 COC(=O)c1ccc(c(c1)Br)OCF 34a_100000216328_100015361967 [0,2,0,0,0,0|0,0,0]=2 6708 B14R1.6720 COC(=O)c1ccc(c(c1)Br)OCF 7a_100000216328_100015361967 [0,2,0,0,0,0|0,0,0]=2 6709 B14R1.6720 COC(=O)c1ccc(c(c1)Br)SCF 62a_100011294788_100015361967 [0,2,0,0,0,0|0,1,0]=3 6710 B14R1.6720 COC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100011294788 [0,2,0,0,0,0|0,1,0]=3 6711 B14R1.6720 COC(=O)c1ccc(c(c1)C)OCF 34a_100011997373_100015361967 [0,2,0,0,0,0|0,0,0]=2 6712 B14R1.6720 COC(=O)c1ccc(c(c1)C)OCF 7a_100011997373_100015361967 [0,2,0,0,0,0|0,0,0]=2 6713 B14R1.6720 COC(=O)c1ccc(c(c1)C)SCF 62a_100011215878_100015361967 [0,2,0,0,0,0|0,1,0]=3 6714 B14R1.6720 COC(=O)c1ccc(c(c1)C)SCF 62a_100015361967_100011215878 [0,2,0,0,0,0|0,1,0]=3 6715 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)CSC 62a_100012194053_200000210301 [0,2,0,0,0,0|0,1,0]=3 6716 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)CSC 62a_200000210301_100012194053 [0,2,0,0,0,0|0,1,0]=3 6717 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)CS[13CH3] 62a_100012194053_200025704644 [0,2,0,0,0,0|0,1,0]=3 6718 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012194053 [0,2,0,0,0,0|0,1,0]=3 6719 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)OCF 34a_100000151454_100015361967 [0,2,0,0,0,0|0,0,0]=2 6720 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)OCF 7a_100000151454_100015361967 [0,2,0,0,0,0|0,0,0]=2 6721 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)SCF 62a_100012356344_100015361967 [0,2,0,0,0,0|0,1,0]=3 6722 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)SCF 62a_100015361967_100012356344 [0,2,0,0,0,0|0,1,0]=3 6723 B14R1.6720 COC(=O)c1ccc(c(c1)F)CO[13CH3] 34a_100000094453_200025704644 [0,2,0,0,0,0|0,0,0]=2 6724 B14R1.6720 COC(=O)c1ccc(c(c1)F)CO[13CH3] 7a_100000094453_200025704644 [0,2,0,0,0,0|0,0,0]=2 6725 B14R1.6720 COC(=O)c1ccc(c(c1)F)CSC 62a_100000694138_200000210301 [0,2,0,0,0,0|0,1,0]=3 6726 B14R1.6720 COC(=O)c1ccc(c(c1)F)CSC 62a_200000210301_100000694138 [0,2,0,0,0,0|0,1,0]=3 6727 B14R1.6720 COC(=O)c1ccc(c(c1)F)CS[13CH3] 62a_100000694138_200025704644 [0,2,0,0,0,0|0,1,0]=3 6728 B14R1.6720 COC(=O)c1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100000694138 [0,2,0,0,0,0|0,1,0]=3 6729 B14R1.6720 COC(=O)c1ccc(c(c1)F)OCF 34a_100000075456_100015361967 [0,2,0,0,0,0|0,0,0]=2 6730 B14R1.6720 COC(=O)c1ccc(c(c1)F)OCF 7a_100000075456_100015361967 [0,2,0,0,0,0|0,0,0]=2 6731 B14R1.6720 COC(=O)c1ccc(c(c1)F)SCF 62a_100000703229_100015361967 [0,2,0,0,0,0|0,1,0]=3 6732 B14R1.6720 COC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000703229 [0,2,0,0,0,0|0,1,0]=3 6733 B14R1.6720 COC(=O)c1ccc(c(c1)I)OCF 34a_100010162523_100015361967 [0,2,0,0,0,0|0,0,0]=2 6734 B14R1.6720 COC(=O)c1ccc(c(c1)I)OCF 7a_100010162523_100015361967 [0,2,0,0,0,0|0,0,0]=2 6735 B14R1.6720 COC(=O)c1ccc(c(c1)N)OCF 34a_100000724433_100015361967 [0,2,0,0,0,0|0,0,0]=2 6736 B14R1.6720 COC(=O)c1ccc(c(c1)N)OCF 7a_100000724433_100015361967 [0,2,0,0,0,0|0,0,0]=2 6737 B14R1.6720 COC(=O)c1ccc(c(c1)N)SCF 62a_100011450966_100015361967 [0,2,0,0,0,0|0,1,0]=3 6738 B14R1.6720 COC(=O)c1ccc(c(c1)N)SCF 62a_100015361967_100011450966 [0,2,0,0,0,0|0,1,0]=3 6739 B14R1.6720 COC(=O)c1ccc(c(c1)O)SCF 62a_100012350776_100015361967 [0,2,0,0,0,0|0,1,0]=3 6740 B14R1.6720 COC(=O)c1ccc(c(c1)O)SCF 62a_100015361967_100012350776 [0,2,0,0,0,0|0,1,0]=3 6741 B14R1.6720 COC(=O)c1ccc(c(n1)Br)OCF 34a_200009815348_100015361967 [0,2,0,0,0,0|1,0,0]=3 6742 B14R1.6720 COC(=O)c1ccc(c(n1)Br)OCF 7a_200009815348_100015361967 [0,2,0,0,0,0|1,0,0]=3 6743 B14R1.6720 COC(=O)c1ccc(c(n1)C)SCF 62a_100010207261_100015361967 [0,2,0,0,0,0|1,1,0]=4 6744 B14R1.6720 COC(=O)c1ccc(c(n1)C)SCF 62a_100015361967_100010207261 [0,2,0,0,0,0|1,1,0]=4 6745 B14R1.6720 COC(=O)c1ccc(c(n1)F)SCF 62a_100010189630_100015361967 [0,2,0,0,0,0|1,1,0]=4 6746 B14R1.6720 COC(=O)c1ccc(c(n1)F)SCF 62a_100015361967_100010189630 [0,2,0,0,0,0|1,1,0]=4 6747 B14R1.6720 COC(=O)c1ccc(c(n1)N)SCF 62a_100010187631_100015361967 [0,2,0,0,0,0|1,1,0]=4 6748 B14R1.6720 COC(=O)c1ccc(c(n1)O)SCF 62a_100015361967_100010189637 [0,2,0,0,0,0|1,1,0]=4 6749 B14R1.6720 COC(=O)c1cnc(c(c1)Br)OCF 34a_100015192546_100015361967 [0,2,0,0,0,0|1,0,0]=3 6750 B14R1.6720 COC(=O)c1cnc(c(c1)Br)SCF 62a_100010114297_100015361967 [0,2,0,0,0,0|1,1,0]=4 6751 B14R1.6720 COC(=O)c1cnc(c(c1)Br)SCF 62a_100015361967_100010114297 [0,2,0,0,0,0|1,1,0]=4 6752 B14R1.6720 COC(=O)c1cnc(c(c1)C)SCF 62a_100015361967_100009862495 [0,2,0,0,0,0|1,1,0]=4 6753 B14R1.6720 COC(=O)c1cnc(c(c1)C)SCF 62a_200010136688_100015361967 [0,2,0,0,0,0|1,1,0]=4 6754 B14R1.6720 COC(=O)c1cnc(c(c1)F)SCF 62a_100010189625_100015361967 [0,2,0,0,0,0|1,1,0]=4 6755 B14R1.6720 COC(=O)c1cnc(c(c1)F)SCF 62a_100015361967_100010189625 [0,2,0,0,0,0|1,1,0]=4 6756 B14R1.6720 COC(=O)c1cnc(c(c1)N)SCF 62a_100015361967_100000079130 [0,2,0,0,0,0|1,1,0]=4 6757 B14R1.6720 COC(=O)c1cnc(c(c1)O)SCF 62a_100010999399_100015361967 [0,2,0,0,0,0|1,1,0]=4 6758 B14R1.6720 COC(=O)c1cnc(c(c1)O)SCF 62a_100015361967_100010999399 [0,2,0,0,0,0|1,1,0]=4 6759 B14R1.6720 COCc1ccc(cc1Br)C(=O)OC 34a_100012355398_200000210301 [0,2,0,0,0,0|0,0,0]=2 6760 B14R1.6720 COCc1ccc(cc1Br)C(=O)OC 34a_100138415774_100010201862 [0,2,0,0,0,0|0,0,0]=2 6761 B14R1.6720 COCc1ccc(cc1Br)C(=O)OC 7a_100012355398_200000210301 [0,2,0,0,0,0|0,0,0]=2 6762 B14R1.6720 COCc1ccc(cc1Cl)C(=O)OC 34a_100138415774_100012194053 [0,2,0,0,0,0|0,0,0]=2 6763 B14R1.6720 COCc1ccc(cc1F)C(=O)OC 34a_100000094453_200000210301 [0,2,0,0,0,0|0,0,0]=2 6764 B14R1.6720 COCc1ccc(cc1F)C(=O)OC 34a_100138415774_100000694138 [0,2,0,0,0,0|0,0,0]=2 6765 B14R1.6720 COCc1ccc(cc1F)C(=O)OC 7a_100000094453_200000210301 [0,2,0,0,0,0|0,0,0]=2 6766 B14R1.6720 NNC(=O)c1ccc(c(c1)N)OCF 34a_200000039609_100015361967 [0,2,0,0,0,0|2,0,0]=4 6767 B14R1.6720 O=C(CCl)c1ccc(c(c1)Cl)OCF 7a_200010170092_100015361967 [0,2,0,0,0,0|2,0,0]=4 6768 B14R1.307 C=C(C)c1ccc(cc1)S(=O)(=O)OC 271570a_100000694244_100000004522 [0,2,0,0,0,0|2,0,0]=4 6769 B14R1.3175 CCNS(=O)(=O)c1ccc(cc1)OC 270084a_100015525214_100000182833 [0,2,0,0,0,0|2,0,0]=4 6770 B14R1.3175 CCNS(=O)(=O)c1ccc(cc1)OC 274078a_100015525214_100000182833 [0,2,0,0,0,0|2,0,0]=4 6771 B14R1.3175 CCOC(C)(C)c1ccc(cc1)OC 34a_100000744786_100000210202 [0,2,0,0,0,0|1,0,1]=4 6772 B14R1.3175 CCOC(C)(C)c1ccc(cc1)OC 7a_100000744786_100000210202 [0,2,0,0,0,0|1,0,1]=4 6773 B14R1.3175 COc1ccc(cc1)C(C)(C)OCF 34a_100000744786_100015361967 [0,2,0,0,0,0|1,0,1]=4 6774 B14R1.3175 COc1ccc(cc1)C(C)(C)OCF 7a_100000744786_100015361967 [0,2,0,0,0,0|1,0,1]=4 6775 B14R1.3287 CCS(=O)(=O)c1ccc(c(c1)N)OC 34a_100000210498_200000210301 [0,2,0,0,0,0|2,0,0]=4 6776 B14R1.3287 CCS(=O)(=O)c1ccc(c(c1)N)OC 7a_100000210498_200000210301 [0,2,0,0,0,0|2,0,0]=4 6777 B14R1.3287 CCS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000210498_200025704644 [0,2,0,0,0,0|2,0,0]=4 6778 B14R1.3287 CCS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000210498_200025704644 [0,2,0,0,0,0|2,0,0]=4 6779 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)Br)OC 270084a_100102657272_100000184073 [0,2,0,0,0,0|2,0,0]=4 6780 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)Br)OC 274078a_100102657272_100000184073 [0,2,0,0,0,0|2,0,0]=4 6781 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)C)OC 270084a_100102657272_100000738859 [0,2,0,0,0,0|2,0,0]=4 6782 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)C)OC 274078a_100102657272_100000738859 [0,2,0,0,0,0|2,0,0]=4 6783 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)Cl)OC 270084a_100102657272_100000738900 [0,2,0,0,0,0|2,0,0]=4 6784 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)Cl)OC 274078a_100102657272_100000738900 [0,2,0,0,0,0|2,0,0]=4 6785 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)F)OC 270084a_100102657272_100000738988 [0,2,0,0,0,0|2,0,0]=4 6786 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)F)OC 274078a_100102657272_100000738988 [0,2,0,0,0,0|2,0,0]=4 6787 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)N)OC 34a_100000732981_200000210301 [0,2,0,0,0,0|2,0,0]=4 6788 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)N)OC 40a_100102657272_100000032121 [0,2,0,0,0,0|2,0,0]=4 6789 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)N)OC 7a_100000732981_200000210301 [0,2,0,0,0,0|2,0,0]=4 6790 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000732981_200025704644 [0,2,0,0,0,0|2,0,0]=4 6791 B14R1.3287 CNS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000732981_200025704644 [0,2,0,0,0,0|2,0,0]=4 6792 B14R1.2 C=C(C)CC(=O)c1ccc(cc1)CC 1458a_100000211226_100000748629 [0,2,0,0,0,0|2,0,0]=4 6793 B14R1.2 C=C(C)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100000748629 [0,2,0,0,0,0|1,0,0]=3 6794 B14R1.2 C=C(C)CC(=O)c1ccc(cc1)SC 1458a_100000189692_100000748629 [0,2,0,0,0,0|1,1,0]=4 6795 B14R1.2 C=C(F)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100009893438 [0,2,0,0,0,0|1,0,1]=4 6796 B14R1.2 CC(=O)CC(=O)c1ccc(cc1)S[13CH3] 62a_100000184285_200025704644 [0,2,0,0,0,0|1,1,0]=4 6797 B14R1.2 CC(C)NC(=O)c1ccc(cc1)N[13CH3] 2230a_100000742665_200025704644 [0,2,0,0,0,0|2,0,0]=4 6798 B14R1.2 CC(C)NC(=O)c1ccc(cc1)N[13CH3] 34a_100000742665_200025704644 [0,2,0,0,0,0|2,0,0]=4 6799 B14R1.2 CC(C)NC(=O)c1ccc(cc1)N[13CH3] 7a_100000742665_200025704644 [0,2,0,0,0,0|2,0,0]=4 6800 B14R1.2 CC(C)NC(=O)c1ccc(cc1)O[13CH3] 34a_100000191456_200025704644 [0,2,0,0,0,0|1,0,0]=3 6801 B14R1.2 CC(C)NC(=O)c1ccc(cc1)O[13CH3] 7a_100000191456_200025704644 [0,2,0,0,0,0|1,0,0]=3 6802 B14R1.2 CC(C)NC(=O)c1ccc(cc1)S[13CH3] 62a_200000152628_200025704644 [0,2,0,0,0,0|1,1,0]=4 6803 B14R1.2 CC(C)NC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_200000152628 [0,2,0,0,0,0|1,1,0]=4 6804 B14R1.2 CC(C)OC(=O)c1ccc(cc1)O[13CH3] 34a_100000169886_200025704644 [0,2,0,0,0,0|0,0,0]=2 6805 B14R1.2 CC(C)OC(=O)c1ccc(cc1)O[13CH3] 7a_100000169886_200025704644 [0,2,0,0,0,0|0,0,0]=2 6806 B14R1.2 CCc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000689809 [0,2,0,0,0,0|2,0,0]=4 6807 B14R1.2 CCc1ccc(cc1)C(=O)CC(C)C 1458a_100000211226_100000210624 [0,2,0,0,0,0|2,0,0]=4 6808 B14R1.2 CCc1ccc(cc1)C(=O)CC(C)O 1458a_100000211226_100011218427 [0,2,0,0,0,0|2,0,0]=4 6809 B14R1.2 CCc1ccc(cc1)C(=O)CC(F)F 1458a_100000211226_100011934356 [0,2,0,0,0,0|2,0,0]=4 6810 B14R1.2 CCc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100000689809 [0,2,0,0,0,0|2,0,0]=4 6811 B14R1.2 CCc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100000689809 [0,2,0,0,0,0|2,0,0]=4 6812 B14R1.2 CCc1ccc(cc1)C(=O)NC(C)C 11a_100138425928_100000211226 [0,2,0,0,0,0|2,0,0]=4 6813 B14R1.2 CCc1ccc(cc1)C(=O)NC(C)C 1626a_100138425928_100000211226 [0,2,0,0,0,0|2,0,0]=4 6814 B14R1.2 CCc1ccc(cc1)C(=O)NC(C)C 240690a_100138425928_100000211226 [0,2,0,0,0,0|2,0,0]=4 6815 B14R1.2 CCc1ccc(cc1)C(=O)NC(C)C 527a_100138425928_100000211226 [0,2,0,0,0,0|2,0,0]=4 6816 B14R1.2 CNc1ccc(cc1)C(=O)NC(C)C 2230a_100000742665_200000210301 [0,2,0,0,0,0|2,0,0]=4 6817 B14R1.2 CNc1ccc(cc1)C(=O)NC(C)C 27a_100102657272_200000152628 [0,2,0,0,0,0|2,0,0]=4 6818 B14R1.2 CNc1ccc(cc1)C(=O)NC(C)C 34a_100000742665_200000210301 [0,2,0,0,0,0|2,0,0]=4 6819 B14R1.2 CNc1ccc(cc1)C(=O)NC(C)C 7a_100000742665_200000210301 [0,2,0,0,0,0|2,0,0]=4 6820 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000212054 [0,2,0,0,0,0|1,0,0]=3 6821 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)N 1458a_100000184203_100000187820 [0,2,0,0,0,0|1,0,1]=4 6822 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000184203_100020667443 [0,2,0,0,0,0|1,0,1]=4 6823 B14R1.2 COc1ccc(cc1)C(=O)CC(C)C 1458a_100000184203_100000210624 [0,2,0,0,0,0|1,0,0]=3 6824 B14R1.2 COc1ccc(cc1)C(=O)CC(C)O 1458a_100000184203_100011218427 [0,2,0,0,0,0|1,0,0]=3 6825 B14R1.2 COc1ccc(cc1)C(=O)CC(F)F 1458a_100000184203_100011934356 [0,2,0,0,0,0|1,0,0]=3 6826 B14R1.2 COc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100000212054 [0,2,0,0,0,0|1,0,0]=3 6827 B14R1.2 COc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100000212054 [0,2,0,0,0,0|1,0,0]=3 6828 B14R1.2 COc1ccc(cc1)C(=O)C[N+](=O)[O-] 1458a_100000184203_100000761209 [0,2,0,0,0,0|2,0,0]=4 6829 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 11a_100138425928_100000184203 [0,2,0,0,0,0|1,0,0]=3 6830 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 1626a_100138425928_100000184203 [0,2,0,0,0,0|1,0,0]=3 6831 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 240690a_100138425928_100000184203 [0,2,0,0,0,0|1,0,0]=3 6832 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 34a_100000191456_200000210301 [0,2,0,0,0,0|1,0,0]=3 6833 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 527a_100138425928_100000184203 [0,2,0,0,0,0|1,0,0]=3 6834 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 7a_100000191456_200000210301 [0,2,0,0,0,0|1,0,0]=3 6835 B14R1.2 COc1ccc(cc1)C(=O)OC(C)C 34a_100000169886_200000210301 [0,2,0,0,0,0|0,0,0]=2 6836 B14R1.2 COc1ccc(cc1)C(=O)OC(C)C 7a_100000169886_200000210301 [0,2,0,0,0,0|0,0,0]=2 6837 B14R1.2 COc1ccc(cc1)C(C)OC(C)C 34a_100000742907_100000210206 [0,2,0,0,0,0|1,0,1]=4 6838 B14R1.2 COc1ccc(cc1)C(C)OC(C)C 7a_100000742907_100000210206 [0,2,0,0,0,0|1,0,1]=4 6839 B14R1.2 CSc1ccc(cc1)C(=O)CC(=O)C 62a_100000184285_200000210301 [0,2,0,0,0,0|1,1,0]=4 6840 B14R1.2 CSc1ccc(cc1)C(=O)CC(C)C 1458a_100000189692_100000210624 [0,2,0,0,0,0|1,1,0]=4 6841 B14R1.2 CSc1ccc(cc1)C(=O)CC(C)O 1458a_100000189692_100011218427 [0,2,0,0,0,0|1,1,0]=4 6842 B14R1.2 CSc1ccc(cc1)C(=O)CC(F)F 1458a_100000189692_100011934356 [0,2,0,0,0,0|1,1,0]=4 6843 B14R1.2 CSc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100011216809 [0,2,0,0,0,0|1,1,0]=4 6844 B14R1.2 CSc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100011216809 [0,2,0,0,0,0|1,1,0]=4 6845 B14R1.2 CSc1ccc(cc1)C(=O)NC(C)C 11a_100138425928_100000189692 [0,2,0,0,0,0|1,1,0]=4 6846 B14R1.2 CSc1ccc(cc1)C(=O)NC(C)C 1626a_100138425928_100000189692 [0,2,0,0,0,0|1,1,0]=4 6847 B14R1.2 CSc1ccc(cc1)C(=O)NC(C)C 240690a_100138425928_100000189692 [0,2,0,0,0,0|1,1,0]=4 6848 B14R1.2 CSc1ccc(cc1)C(=O)NC(C)C 527a_100138425928_100000189692 [0,2,0,0,0,0|1,1,0]=4 6849 B14R1.2 CSc1ccc(cc1)C(=O)NC(C)C 62a_200000152628_200000210301 [0,2,0,0,0,0|1,1,0]=4 6850 B14R1.2 CSc1ccc(cc1)C(=O)NC(C)C 62a_200000210301_200000152628 [0,2,0,0,0,0|1,1,0]=4 6851 B14R1.610 C=C(C)c1ccc(cc1)C(=O)C#CC 271570a_100000694244_100153741113 [0,2,0,0,0,0|2,0,0]=4 6852 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCC 1458a_200009908186_100000210303 [0,2,0,0,0,0|2,0,0]=4 6853 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCC 271570a_100000694244_100011267722 [0,2,0,0,0,0|2,0,0]=4 6854 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCF 1458a_200009908186_100011217306 [0,2,0,0,0,0|2,0,0]=4 6855 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCO 1458a_200009908186_100000211926 [0,2,0,0,0,0|2,0,0]=4 6856 B14R1.610 C=C(C)c1ccc(cc1)C(=O)COC 271570a_100000694244_200011343064 [0,2,0,0,0,0|1,0,0]=3 6857 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 11a_100015525214_200009908186 [0,2,0,0,0,0|2,0,0]=4 6858 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 240690a_100015525214_200009908186 [0,2,0,0,0,0|2,0,0]=4 6859 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 271570a_100000694244_100000155177 [0,2,0,0,0,0|2,0,0]=4 6860 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 527a_100015525214_200009908186 [0,2,0,0,0,0|2,0,0]=4 6861 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NNC 22a_100016993582_200009908186 [0,2,0,0,0,0|2,0,0]=4 6862 B14R1.610 C=C(C)c1ccc(cc1)C(=O)OCC 271570a_100000694244_100000170077 [0,2,0,0,0,0|1,0,0]=3 6863 B14R1.610 C=C(C)c1ccc(cn1)C(=O)OCC 271570a_100000694244_100000170224 [0,2,0,0,0,0|2,0,0]=4 6864 B14R1.610 C=C(C)c1ccc(nc1)C(=O)OCC 271570a_100000694244_100011781174 [0,2,0,0,0,0|2,0,0]=4 6865 B14R1.610 CC(C)c1ccc(cc1)C(=O)CCF 1458a_100000210772_100011217306 [0,2,0,0,0,0|2,0,0]=4 6866 B14R1.610 CC(C)c1ccc(cc1)C(=O)CCO 1458a_100000210772_100000211926 [0,2,0,0,0,0|2,0,0]=4 6867 B14R1.610 CC(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_200000751037_200025704644 [0,2,0,0,0,0|1,1,0]=4 6868 B14R1.610 CC(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_200000751037 [0,2,0,0,0,0|1,1,0]=4 6869 B14R1.610 CC(O)c1ccc(cc1)C(=O)CCF 1458a_100000076921_100011217306 [0,2,0,0,0,0|2,0,0]=4 6870 B14R1.610 CC(O)c1ccc(cc1)C(=O)CCO 1458a_100000076921_100000211926 [0,2,0,0,0,0|2,0,0]=4 6871 B14R1.610 CCCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210303 [0,2,0,0,0,0|2,0,0]=4 6872 B14R1.610 CCCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210303 [0,2,0,0,0,0|2,0,0]=4 6873 B14R1.610 CCCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210303 [0,2,0,0,0,0|2,0,0]=4 6874 B14R1.610 CCCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210303 [0,2,0,0,0,0|1,1,0]=4 6875 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)C 11a_100015525214_100000210772 [0,2,0,0,0,0|2,0,0]=4 6876 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)C 240690a_100015525214_100000210772 [0,2,0,0,0,0|2,0,0]=4 6877 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)C 527a_100015525214_100000210772 [0,2,0,0,0,0|2,0,0]=4 6878 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)O 240690a_100015525214_100000076921 [0,2,0,0,0,0|2,0,0]=4 6879 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 11a_100015525214_100000210873 [0,2,0,0,0,0|2,0,0]=4 6880 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 240690a_100015525214_100000210873 [0,2,0,0,0,0|2,0,0]=4 6881 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 27a_100102631434_100000155177 [0,2,0,0,0,0|2,0,0]=4 6882 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 527a_100015525214_100000210873 [0,2,0,0,0,0|2,0,0]=4 6883 B14R1.610 CCNC(=O)c1ccc(cc1)S(=O)C 240690a_100015525214_200000217594 [0,2,0,0,0,0|1,1,0]=4 6884 B14R1.610 CCNC(=O)c1ccc(cc1)S(=O)C 527a_100015525214_200000217594 [0,2,0,0,0,0|1,1,0]=4 6885 B14R1.610 CCOC(=O)c1ccc(cc1)C(=O)C 1458a_100000076237_200000210301 [0,2,0,0,0,0|1,0,0]=3 6886 B14R1.610 CCOC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076237_200025704644 [0,2,0,0,0,0|1,0,0]=3 6887 B14R1.610 CCOC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000170224 [0,2,0,0,0,0|2,0,0]=4 6888 B14R1.610 CN(C)c1ccc(cc1)C(=O)CCF 1458a_100000210873_100011217306 [0,2,0,0,0,0|2,0,0]=4 6889 B14R1.610 CN(C)c1ccc(cc1)C(=O)CCO 1458a_100000210873_100000211926 [0,2,0,0,0,0|2,0,0]=4 6890 B14R1.610 CN(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_100009815699_200025704644 [0,2,0,0,0,0|1,1,0]=4 6891 B14R1.610 CN(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100009815699 [0,2,0,0,0,0|1,1,0]=4 6892 B14R1.610 CNCC(=O)c1ccc(cc1)C(C)C 2230a_106832991635_200000751037 [0,2,0,0,0,0|2,0,0]=4 6893 B14R1.610 CNCC(=O)c1ccc(cc1)C(C)C 7a_106832991635_200000751037 [0,2,0,0,0,0|2,0,0]=4 6894 B14R1.610 CNCC(=O)c1ccc(cc1)N(C)C 2230a_106832991635_100009815699 [0,2,0,0,0,0|2,0,0]=4 6895 B14R1.610 CNCC(=O)c1ccc(cc1)N(C)C 7a_106832991635_100009815699 [0,2,0,0,0,0|2,0,0]=4 6896 B14R1.610 CNNC(=O)c1ccc(cc1)C(C)C 22a_100016993582_100000210772 [0,2,0,0,0,0|2,0,0]=4 6897 B14R1.610 CNNC(=O)c1ccc(cc1)C(C)O 22a_100016993582_100000076921 [0,2,0,0,0,0|2,0,0]=4 6898 B14R1.610 CNNC(=O)c1ccc(cc1)N(C)C 22a_100016993582_100000210873 [0,2,0,0,0,0|2,0,0]=4 6899 B14R1.610 CNNC(=O)c1ccc(cc1)S(=O)C 22a_100016993582_200000217594 [0,2,0,0,0,0|1,1,0]=4 6900 B14R1.610 CS(=O)c1ccc(cc1)C(=O)CCF 1458a_200000217594_100011217306 [0,2,0,0,0,0|1,1,0]=4 6901 B14R1.610 CS(=O)c1ccc(cc1)C(=O)CCO 1458a_200000217594_100000211926 [0,2,0,0,0,0|1,1,0]=4 6902 B14R1.610 CSCC(=O)c1ccc(cc1)C(C)C 62a_200000210301_200000751037 [0,2,0,0,0,0|1,1,0]=4 6903 B14R1.610 CSCC(=O)c1ccc(cc1)C(C)C 62a_200000751037_200000210301 [0,2,0,0,0,0|1,1,0]=4 6904 B14R1.610 CSCC(=O)c1ccc(cc1)N(C)C 62a_100009815699_200000210301 [0,2,0,0,0,0|1,1,0]=4 6905 B14R1.610 CSCC(=O)c1ccc(cc1)N(C)C 62a_200000210301_100009815699 [0,2,0,0,0,0|1,1,0]=4 6906 B14R1.628 C#CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000184674 [0,2,0,0,0,0|1,0,1]=4 6907 B14R1.628 C#CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000184674 [0,2,0,0,0,0|1,0,1]=4 6908 B14R1.628 C#CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000184674 [0,2,0,0,0,0|1,0,1]=4 6909 B14R1.628 C#CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000184674 [0,2,0,0,0,0|1,0,1]=4 6910 B14R1.628 C#CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000184674 [0,2,0,0,0,0|1,0,1]=4 6911 B14R1.628 C#CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000184674 [0,2,0,0,0,0|1,0,1]=4 6912 B14R1.628 C=CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210623 [0,2,0,0,0,0|1,0,1]=4 6913 B14R1.628 C=CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210623 [0,2,0,0,0,0|1,0,1]=4 6914 B14R1.628 C=CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210623 [0,2,0,0,0,0|1,0,1]=4 6915 B14R1.628 C=CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210623 [0,2,0,0,0,0|1,0,1]=4 6916 B14R1.628 C=CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210623 [0,2,0,0,0,0|1,0,1]=4 6917 B14R1.628 C=CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210623 [0,2,0,0,0,0|1,0,1]=4 6918 B14R1.628 C=Cc1ccc(cc1Br)C(=O)OCC 271570a_100011290941_100011294787 [0,2,0,0,0,0|1,0,1]=4 6919 B14R1.628 C=Cc1ccc(cc1C)C(=O)OCC 271570a_100011290941_100012229600 [0,2,0,0,0,0|1,0,1]=4 6920 B14R1.628 C=Cc1ccc(cc1Cl)C(=O)OCC 271570a_100011290941_200012351148 [0,2,0,0,0,0|1,0,1]=4 6921 B14R1.628 C=Cc1ccc(cc1F)C(=O)OCC 271570a_100011290941_100011533738 [0,2,0,0,0,0|1,0,1]=4 6922 B14R1.628 C=Cc1ccc(cc1N)C(=O)OCC 271570a_100011290941_200011450955 [0,2,0,0,0,0|1,0,1]=4 6923 B14R1.628 C=Cc1ccc(cc1O)C(=O)OCC 271570a_100011290941_100012355281 [0,2,0,0,0,0|1,0,1]=4 6924 B14R1.628 CCCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210303 [0,2,0,0,0,0|2,0,0]=4 6925 B14R1.628 CCCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210303 [0,2,0,0,0,0|1,0,0]=3 6926 B14R1.628 CCCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210303 [0,2,0,0,0,0|1,0,0]=3 6927 B14R1.628 CCCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012345043 [0,2,0,0,0,0|1,1,0]=4 6928 B14R1.628 CCCC(=O)c1ccc(c(c1)C)SC 62a_200012345043_200000210301 [0,2,0,0,0,0|1,1,0]=4 6929 B14R1.628 CCCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012345043_200025704644 [0,2,0,0,0,0|1,1,0]=4 6930 B14R1.628 CCCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012345043 [0,2,0,0,0,0|1,1,0]=4 6931 B14R1.628 CCCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210303 [0,2,0,0,0,0|1,0,0]=3 6932 B14R1.628 CCCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210303 [0,2,0,0,0,0|1,0,0]=3 6933 B14R1.628 CCCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210303 [0,2,0,0,0,0|1,0,0]=3 6934 B14R1.628 CCCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210303 [0,2,0,0,0,0|2,0,0]=4 6935 B14R1.628 CCCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210303 [0,2,0,0,0,0|1,0,0]=3 6936 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)CC 11a_100015525214_100012340589 [0,2,0,0,0,0|2,0,0]=4 6937 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)CC 240690a_100015525214_100012340589 [0,2,0,0,0,0|2,0,0]=4 6938 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)CC 527a_100015525214_100012340589 [0,2,0,0,0,0|2,0,0]=4 6939 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)OC 11a_100015525214_100000187947 [0,2,0,0,0,0|1,0,0]=3 6940 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)OC 240690a_100015525214_100000187947 [0,2,0,0,0,0|1,0,0]=3 6941 B14R1.628 CCNC(=O)c1ccc(c(c1)Br)OC 527a_100015525214_100000187947 [0,2,0,0,0,0|1,0,0]=3 6942 B14R1.628 CCNC(=O)c1ccc(c(c1)C)NC 2230a_100000742543_200000210301 [0,2,0,0,0,0|2,0,0]=4 6943 B14R1.628 CCNC(=O)c1ccc(c(c1)C)NC 27a_100102657272_200012357431 [0,2,0,0,0,0|2,0,0]=4 6944 B14R1.628 CCNC(=O)c1ccc(c(c1)C)NC 34a_100000742543_200000210301 [0,2,0,0,0,0|2,0,0]=4 6945 B14R1.628 CCNC(=O)c1ccc(c(c1)C)NC 7a_100000742543_200000210301 [0,2,0,0,0,0|2,0,0]=4 6946 B14R1.628 CCNC(=O)c1ccc(c(c1)C)N[13CH3] 2230a_100000742543_200025704644 [0,2,0,0,0,0|2,0,0]=4 6947 B14R1.628 CCNC(=O)c1ccc(c(c1)C)N[13CH3] 34a_100000742543_200025704644 [0,2,0,0,0,0|2,0,0]=4 6948 B14R1.628 CCNC(=O)c1ccc(c(c1)C)N[13CH3] 7a_100000742543_200025704644 [0,2,0,0,0,0|2,0,0]=4 6949 B14R1.628 CCNC(=O)c1ccc(c(c1)C)OC 11a_100015525214_100011202886 [0,2,0,0,0,0|1,0,0]=3 6950 B14R1.628 CCNC(=O)c1ccc(c(c1)C)OC 240690a_100015525214_100011202886 [0,2,0,0,0,0|1,0,0]=3 6951 B14R1.628 CCNC(=O)c1ccc(c(c1)C)OC 527a_100015525214_100011202886 [0,2,0,0,0,0|1,0,0]=3 6952 B14R1.628 CCNC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012357431 [0,2,0,0,0,0|1,1,0]=4 6953 B14R1.628 CCNC(=O)c1ccc(c(c1)C)SC 62a_200012357431_200000210301 [0,2,0,0,0,0|1,1,0]=4 6954 B14R1.628 CCNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012357431_200025704644 [0,2,0,0,0,0|1,1,0]=4 6955 B14R1.628 CCNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012357431 [0,2,0,0,0,0|1,1,0]=4 6956 B14R1.628 CCNC(=O)c1ccc(c(c1)Cl)OC 11a_100015525214_100000188346 [0,2,0,0,0,0|1,0,0]=3 6957 B14R1.628 CCNC(=O)c1ccc(c(c1)Cl)OC 240690a_100015525214_100000188346 [0,2,0,0,0,0|1,0,0]=3 6958 B14R1.628 CCNC(=O)c1ccc(c(c1)Cl)OC 527a_100015525214_100000188346 [0,2,0,0,0,0|1,0,0]=3 6959 B14R1.628 CCNC(=O)c1ccc(c(c1)F)OC 11a_100015525214_100000186160 [0,2,0,0,0,0|1,0,0]=3 6960 B14R1.628 CCNC(=O)c1ccc(c(c1)F)OC 240690a_100015525214_100000186160 [0,2,0,0,0,0|1,0,0]=3 6961 B14R1.628 CCNC(=O)c1ccc(c(c1)F)OC 527a_100015525214_100000186160 [0,2,0,0,0,0|1,0,0]=3 6962 B14R1.628 CCNC(=O)c1ccc(c(c1)I)OC 11a_100015525214_100000188716 [0,2,0,0,0,0|1,0,0]=3 6963 B14R1.628 CCNC(=O)c1ccc(c(c1)I)OC 240690a_100015525214_100000188716 [0,2,0,0,0,0|1,0,0]=3 6964 B14R1.628 CCNC(=O)c1ccc(c(c1)I)OC 527a_100015525214_100000188716 [0,2,0,0,0,0|1,0,0]=3 6965 B14R1.628 CCNC(=O)c1ccc(c(c1)O)CC 240690a_100015525214_100000089006 [0,2,0,0,0,0|2,0,0]=4 6966 B14R1.628 CCNC(=O)c1ccc(c(c1)O)CC 527a_100015525214_100000089006 [0,2,0,0,0,0|2,0,0]=4 6967 B14R1.628 CCNC(=O)c1ccc(c(c1)O)OC 240690a_100015525214_100000766810 [0,2,0,0,0,0|1,0,0]=3 6968 B14R1.628 CCNC(=O)c1ccc(c(c1)O)OC 527a_100015525214_100000766810 [0,2,0,0,0,0|1,0,0]=3 6969 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)OC 7a_100009812659_200000210301 [0,2,0,0,0,0|0,0,0]=2 6970 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100009812659_200025704644 [0,2,0,0,0,0|0,0,0]=2 6971 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)SC 62a_100011294787_200000210301 [0,2,0,0,0,0|0,1,0]=3 6972 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294787 [0,2,0,0,0,0|0,1,0]=3 6973 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294787_200025704644 [0,2,0,0,0,0|0,1,0]=3 6974 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294787 [0,2,0,0,0,0|0,1,0]=3 6975 B14R1.628 CCOC(=O)c1ccc(c(c1)C)SC 62a_100012229600_200000210301 [0,2,0,0,0,0|0,1,0]=3 6976 B14R1.628 CCOC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100012229600 [0,2,0,0,0,0|0,1,0]=3 6977 B14R1.628 CCOC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100012229600_200025704644 [0,2,0,0,0,0|0,1,0]=3 6978 B14R1.628 CCOC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100012229600 [0,2,0,0,0,0|0,1,0]=3 6979 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_200012351148 [0,2,0,0,0,0|0,1,0]=3 6980 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)SC 62a_200012351148_200000210301 [0,2,0,0,0,0|0,1,0]=3 6981 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200012351148_200025704644 [0,2,0,0,0,0|0,1,0]=3 6982 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_200012351148 [0,2,0,0,0,0|0,1,0]=3 6983 B14R1.628 CCOC(=O)c1ccc(c(c1)F)OC 34a_200000082637_200000210301 [0,2,0,0,0,0|0,0,0]=2 6984 B14R1.628 CCOC(=O)c1ccc(c(c1)F)OC 7a_200000082637_200000210301 [0,2,0,0,0,0|0,0,0]=2 6985 B14R1.628 CCOC(=O)c1ccc(c(c1)F)O[13CH3] 34a_200000082637_200025704644 [0,2,0,0,0,0|0,0,0]=2 6986 B14R1.628 CCOC(=O)c1ccc(c(c1)F)O[13CH3] 7a_200000082637_200025704644 [0,2,0,0,0,0|0,0,0]=2 6987 B14R1.628 CCOC(=O)c1ccc(c(c1)F)SC 62a_100011533738_200000210301 [0,2,0,0,0,0|0,1,0]=3 6988 B14R1.628 CCOC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100011533738 [0,2,0,0,0,0|0,1,0]=3 6989 B14R1.628 CCOC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100011533738_200025704644 [0,2,0,0,0,0|0,1,0]=3 6990 B14R1.628 CCOC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011533738 [0,2,0,0,0,0|0,1,0]=3 6991 B14R1.628 CCOC(=O)c1ccc(c(c1)I)OC 7a_200010236255_200000210301 [0,2,0,0,0,0|0,0,0]=2 6992 B14R1.628 CCOC(=O)c1ccc(c(c1)I)O[13CH3] 7a_200010236255_200025704644 [0,2,0,0,0,0|0,0,0]=2 6993 B14R1.628 CCOC(=O)c1ccc(c(c1)N)OC 7a_100011450745_200000210301 [0,2,0,0,0,0|0,0,0]=2 6994 B14R1.628 CCOC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100011450745_200025704644 [0,2,0,0,0,0|0,0,0]=2 6995 B14R1.628 CCOC(=O)c1ccc(c(c1)N)SC 62a_200000210301_200011450955 [0,2,0,0,0,0|0,1,0]=3 6996 B14R1.628 CCOC(=O)c1ccc(c(c1)N)SC 62a_200011450955_200000210301 [0,2,0,0,0,0|0,1,0]=3 6997 B14R1.628 CCOC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200011450955_200025704644 [0,2,0,0,0,0|0,1,0]=3 6998 B14R1.628 CCOC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_200011450955 [0,2,0,0,0,0|0,1,0]=3 6999 B14R1.628 CCOC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100010172520 [0,2,0,0,0,0|2,0,0]=4 7000 B14R1.628 CCOC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100010291780 [0,2,0,0,0,0|2,0,0]=4 7001 B14R1.628 CCOC(=O)c1ccc(c(c1)O)CC 271570a_203496583355_200012360145 [0,2,0,0,0,0|1,0,0]=3 7002 B14R1.628 CCOC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100012360133 [0,2,0,0,0,0|0,0,0]=2 7003 B14R1.628 CCOC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012355281 [0,2,0,0,0,0|0,1,0]=3 7004 B14R1.628 CCOC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012355281 [0,2,0,0,0,0|0,1,0]=3 7005 B14R1.628 CCOC(=O)c1cnc(c(c1)C)OC 7a_100010269686_200000210301 [0,2,0,0,0,0|1,0,0]=3 7006 B14R1.628 CCOC(=O)c1cnc(c(c1)C)O[13CH3] 7a_100010269686_200025704644 [0,2,0,0,0,0|1,0,0]=3 7007 B14R1.628 CCOC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010179890 [0,2,0,0,0,0|1,1,0]=4 7008 B14R1.628 CCOC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010179890 [0,2,0,0,0,0|1,1,0]=4 7009 B14R1.628 CCOC(C)c1ccc(c(c1)Br)OC 34a_100000246541_100000210202 [0,2,0,0,0,0|1,0,1]=4 7010 B14R1.628 CCOC(C)c1ccc(c(c1)Br)OC 7a_100000246541_100000210202 [0,2,0,0,0,0|1,0,1]=4 7011 B14R1.628 CCOC(C)c1ccc(c(c1)F)OC 34a_100000242639_100000210202 [0,2,0,0,0,0|1,0,1]=4 7012 B14R1.628 CCOC(C)c1ccc(c(c1)F)OC 7a_100000242639_100000210202 [0,2,0,0,0,0|1,0,1]=4 7013 B14R1.628 CCOC(C)c1ccc(c(c1)I)OC 34a_202516928852_100000210202 [0,2,0,0,0,0|1,0,1]=4 7014 B14R1.628 CCOC(C)c1ccc(c(c1)I)OC 7a_202516928852_100000210202 [0,2,0,0,0,0|1,0,1]=4 7015 B14R1.628 CCc1ccc(cc1Br)C(=O)CCF 1458a_100012340589_100011217306 [0,2,0,0,0,0|2,0,0]=4 7016 B14R1.628 CCc1ccc(cc1Br)C(=O)CCO 1458a_100012340589_100000211926 [0,2,0,0,0,0|2,0,0]=4 7017 B14R1.628 CCc1ccc(cc1Br)C(=O)NNC 22a_100016993582_100012340589 [0,2,0,0,0,0|2,0,0]=4 7018 B14R1.628 CCc1ccc(cc1O)C(=O)CCF 1458a_100000089006_100011217306 [0,2,0,0,0,0|2,0,0]=4 7019 B14R1.628 CCc1ccc(cc1O)C(=O)CCO 1458a_100000089006_100000211926 [0,2,0,0,0,0|2,0,0]=4 7020 B14R1.628 CCc1ccc(cc1O)C(=O)NNC 22a_100016993582_100000089006 [0,2,0,0,0,0|2,0,0]=4 7021 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 2230a_106832991635_100000185116 [0,2,0,0,0,0|1,0,0]=3 7022 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 34a_100102657272_100011262385 [0,2,0,0,0,0|1,0,0]=3 7023 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 7a_106832991635_100000185116 [0,2,0,0,0,0|1,0,0]=3 7024 B14R1.628 CNCC(=O)c1ccc(c(c1)Cl)OC 2230a_106832991635_100000198526 [0,2,0,0,0,0|1,0,0]=3 7025 B14R1.628 CNCC(=O)c1ccc(c(c1)Cl)OC 7a_106832991635_100000198526 [0,2,0,0,0,0|1,0,0]=3 7026 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 2230a_106832991635_100000195436 [0,2,0,0,0,0|1,0,0]=3 7027 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 34a_100102657272_100000195436 [0,2,0,0,0,0|1,0,0]=3 7028 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 7a_106832991635_100000195436 [0,2,0,0,0,0|1,0,0]=3 7029 B14R1.628 CNNC(=O)c1ccc(c(c1)Br)OC 22a_100016993582_100000187947 [0,2,0,0,0,0|1,0,0]=3 7030 B14R1.628 CNNC(=O)c1ccc(c(c1)C)OC 22a_100016993582_100011202886 [0,2,0,0,0,0|1,0,0]=3 7031 B14R1.628 CNNC(=O)c1ccc(c(c1)Cl)OC 22a_100016993582_100000188346 [0,2,0,0,0,0|1,0,0]=3 7032 B14R1.628 CNNC(=O)c1ccc(c(c1)F)OC 22a_100016993582_100000186160 [0,2,0,0,0,0|1,0,0]=3 7033 B14R1.628 CNNC(=O)c1ccc(c(c1)I)OC 22a_100016993582_100000188716 [0,2,0,0,0,0|1,0,0]=3 7034 B14R1.628 CNNC(=O)c1ccc(c(c1)O)OC 22a_100016993582_100000766810 [0,2,0,0,0,0|1,0,0]=3 7035 B14R1.628 COCC(=O)c1ccc(c(c1)Br)OC 34a_100138415774_100011262385 [0,2,0,0,0,0|0,0,0]=2 7036 B14R1.628 COCC(=O)c1ccc(c(c1)F)OC 34a_100138415774_100000195436 [0,2,0,0,0,0|0,0,0]=2 7037 B14R1.628 COCN(C)c1ccc(c(c1)I)OC 269982a_114948341033_100000766300 [0,2,0,0,0,0|2,0,0]=4 7038 B14R1.628 COc1ccc(cc1Br)C(=O)CC#N 1458a_100000187947_100011214920 [0,2,0,0,0,0|1,0,1]=4 7039 B14R1.628 COc1ccc(cc1Br)C(=O)CCF 1458a_100000187947_100011217306 [0,2,0,0,0,0|1,0,0]=3 7040 B14R1.628 COc1ccc(cc1Br)C(=O)CCO 1458a_100000187947_100000211926 [0,2,0,0,0,0|1,0,0]=3 7041 B14R1.628 COc1ccc(cc1Br)C(=O)CSC 62a_100000185116_200000210301 [0,2,0,0,0,0|0,1,0]=3 7042 B14R1.628 COc1ccc(cc1Br)C(=O)CS[13CH3] 62a_100000185116_200025704644 [0,2,0,0,0,0|0,1,0]=3 7043 B14R1.628 COc1ccc(cc1Br)C(C)OCF 34a_100000246541_100015361967 [0,2,0,0,0,0|1,0,1]=4 7044 B14R1.628 COc1ccc(cc1Br)C(C)OCF 7a_100000246541_100015361967 [0,2,0,0,0,0|1,0,1]=4 7045 B14R1.628 COc1ccc(cc1C)C(=O)CC#N 1458a_100011202886_100011214920 [0,2,0,0,0,0|1,0,1]=4 7046 B14R1.628 COc1ccc(cc1C)C(=O)CCF 1458a_100011202886_100011217306 [0,2,0,0,0,0|1,0,0]=3 7047 B14R1.628 COc1ccc(cc1C)C(=O)CCO 1458a_100011202886_100000211926 [0,2,0,0,0,0|1,0,0]=3 7048 B14R1.628 COc1ccc(cc1Cl)C(=O)CC#N 1458a_100000188346_100011214920 [0,2,0,0,0,0|1,0,1]=4 7049 B14R1.628 COc1ccc(cc1Cl)C(=O)CCF 1458a_100000188346_100011217306 [0,2,0,0,0,0|1,0,0]=3 7050 B14R1.628 COc1ccc(cc1Cl)C(=O)CCO 1458a_100000188346_100000211926 [0,2,0,0,0,0|1,0,0]=3 7051 B14R1.628 COc1ccc(cc1Cl)C(=O)CSC 62a_100000198526_200000210301 [0,2,0,0,0,0|0,1,0]=3 7052 B14R1.628 COc1ccc(cc1Cl)C(=O)CS[13CH3] 62a_100000198526_200025704644 [0,2,0,0,0,0|0,1,0]=3 7053 B14R1.628 COc1ccc(cc1F)C(=O)CC#N 1458a_100000186160_100011214920 [0,2,0,0,0,0|1,0,1]=4 7054 B14R1.628 COc1ccc(cc1F)C(=O)CCF 1458a_100000186160_100011217306 [0,2,0,0,0,0|1,0,0]=3 7055 B14R1.628 COc1ccc(cc1F)C(=O)CCO 1458a_100000186160_100000211926 [0,2,0,0,0,0|1,0,0]=3 7056 B14R1.628 COc1ccc(cc1F)C(=O)CSC 62a_100000195436_200000210301 [0,2,0,0,0,0|0,1,0]=3 7057 B14R1.628 COc1ccc(cc1F)C(=O)CSC 62a_200000210301_100000195436 [0,2,0,0,0,0|0,1,0]=3 7058 B14R1.628 COc1ccc(cc1F)C(=O)CS[13CH3] 62a_100000195436_200025704644 [0,2,0,0,0,0|0,1,0]=3 7059 B14R1.628 COc1ccc(cc1F)C(=O)CS[13CH3] 62a_200025704644_100000195436 [0,2,0,0,0,0|0,1,0]=3 7060 B14R1.628 COc1ccc(cc1F)C(C)OCF 34a_100000242639_100015361967 [0,2,0,0,0,0|1,0,1]=4 7061 B14R1.628 COc1ccc(cc1F)C(C)OCF 7a_100000242639_100015361967 [0,2,0,0,0,0|1,0,1]=4 7062 B14R1.628 COc1ccc(cc1I)C(=O)CC#N 1458a_100000188716_100011214920 [0,2,0,0,0,0|1,0,1]=4 7063 B14R1.628 COc1ccc(cc1I)C(=O)CCF 1458a_100000188716_100011217306 [0,2,0,0,0,0|1,0,0]=3 7064 B14R1.628 COc1ccc(cc1I)C(=O)CCO 1458a_100000188716_100000211926 [0,2,0,0,0,0|1,0,0]=3 7065 B14R1.628 COc1ccc(cc1I)C(C)OCF 34a_202516928852_100015361967 [0,2,0,0,0,0|1,0,1]=4 7066 B14R1.628 COc1ccc(cc1I)C(C)OCF 7a_202516928852_100015361967 [0,2,0,0,0,0|1,0,1]=4 7067 B14R1.628 COc1ccc(cc1O)C(=O)CC#N 1458a_100000766810_100011214920 [0,2,0,0,0,0|1,0,1]=4 7068 B14R1.628 COc1ccc(cc1O)C(=O)CCF 1458a_100000766810_100011217306 [0,2,0,0,0,0|1,0,0]=3 7069 B14R1.628 COc1ccc(cc1O)C(=O)CCO 1458a_100000766810_100000211926 [0,2,0,0,0,0|1,0,0]=3 7070 B14R1.926 C#CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000753159 [0,2,0,0,0,0|2,0,0]=4 7071 B14R1.926 C#CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000753159 [0,2,0,0,0,0|1,0,0]=3 7072 B14R1.926 C#CCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000753159 [0,2,0,0,0,0|1,1,0]=4 7073 B14R1.926 C#CCNC(=O)c1ccc(cc1)CC 11a_100000212058_100000211226 [0,2,0,0,0,0|2,0,0]=4 7074 B14R1.926 C#CCNC(=O)c1ccc(cc1)CC 1626a_100000212058_100000211226 [0,2,0,0,0,0|2,0,0]=4 7075 B14R1.926 C#CCNC(=O)c1ccc(cc1)CC 240690a_100000212058_100000211226 [0,2,0,0,0,0|2,0,0]=4 7076 B14R1.926 C#CCNC(=O)c1ccc(cc1)CC 527a_100000212058_100000211226 [0,2,0,0,0,0|2,0,0]=4 7077 B14R1.926 C#CCNC(=O)c1ccc(cc1)OC 11a_100000212058_100000184203 [0,2,0,0,0,0|1,0,0]=3 7078 B14R1.926 C#CCNC(=O)c1ccc(cc1)OC 1626a_100000212058_100000184203 [0,2,0,0,0,0|1,0,0]=3 7079 B14R1.926 C#CCNC(=O)c1ccc(cc1)OC 240690a_100000212058_100000184203 [0,2,0,0,0,0|1,0,0]=3 7080 B14R1.926 C#CCNC(=O)c1ccc(cc1)OC 527a_100000212058_100000184203 [0,2,0,0,0,0|1,0,0]=3 7081 B14R1.926 C#CCNC(=O)c1ccc(cc1)SC 11a_100000212058_100000189692 [0,2,0,0,0,0|1,1,0]=4 7082 B14R1.926 C#CCNC(=O)c1ccc(cc1)SC 1626a_100000212058_100000189692 [0,2,0,0,0,0|1,1,0]=4 7083 B14R1.926 C#CCNC(=O)c1ccc(cc1)SC 240690a_100000212058_100000189692 [0,2,0,0,0,0|1,1,0]=4 7084 B14R1.926 C#CCNC(=O)c1ccc(cc1)SC 527a_100000212058_100000189692 [0,2,0,0,0,0|1,1,0]=4 7085 B14R1.926 C#CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000184674 [0,2,0,0,0,0|1,0,1]=4 7086 B14R1.926 C#CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000038162 [0,2,0,0,0,0|1,0,1]=4 7087 B14R1.926 C#Cc1ccc(cc1)C(=O)CCOC 1458a_100011217615_100000233755 [0,2,0,0,0,0|1,0,1]=4 7088 B14R1.926 C/C=C/CC(=O)c1ccc(cc1)CC 1458a_100000211226_100102629194 [0,2,0,0,0,0|2,0,0]=4 7089 B14R1.926 C/C=C/CC(=O)c1ccc(cc1)OC 1458a_100000184203_100102629194 [0,2,0,0,0,0|1,0,0]=3 7090 B14R1.926 C/C=C/CC(=O)c1ccc(cc1)SC 1458a_100000189692_100102629194 [0,2,0,0,0,0|1,1,0]=4 7091 B14R1.926 C=CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000754431 [0,2,0,0,0,0|2,0,0]=4 7092 B14R1.926 C=CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000754431 [0,2,0,0,0,0|1,0,0]=3 7093 B14R1.926 C=CCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000754431 [0,2,0,0,0,0|1,1,0]=4 7094 B14R1.926 C=CCCC(=O)c1ccc(cc1)SC 62a_200000210301_200012050250 [0,2,0,0,0,0|1,1,0]=4 7095 B14R1.926 C=CCCC(=O)c1ccc(cc1)SC 62a_200012050250_200000210301 [0,2,0,0,0,0|1,1,0]=4 7096 B14R1.926 C=CCCC(=O)c1ccc(cc1)S[13CH3] 62a_200012050250_200025704644 [0,2,0,0,0,0|1,1,0]=4 7097 B14R1.926 C=CCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_200012050250 [0,2,0,0,0,0|1,1,0]=4 7098 B14R1.926 C=CCNC(=O)c1ccc(cc1)CC 1626a_100020586998_100000211226 [0,2,0,0,0,0|2,0,0]=4 7099 B14R1.926 C=CCNC(=O)c1ccc(cc1)CC 240690a_100020586998_100000211226 [0,2,0,0,0,0|2,0,0]=4 7100 B14R1.926 C=CCNC(=O)c1ccc(cc1)CC 527a_100020586998_100000211226 [0,2,0,0,0,0|2,0,0]=4 7101 B14R1.926 C=CCNC(=O)c1ccc(cc1)NC 2230a_100000742746_200000210301 [0,2,0,0,0,0|2,0,0]=4 7102 B14R1.926 C=CCNC(=O)c1ccc(cc1)NC 34a_100000742746_200000210301 [0,2,0,0,0,0|2,0,0]=4 7103 B14R1.926 C=CCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000742746_200025704644 [0,2,0,0,0,0|2,0,0]=4 7104 B14R1.926 C=CCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000742746_200025704644 [0,2,0,0,0,0|2,0,0]=4 7105 B14R1.926 C=CCNC(=O)c1ccc(cc1)OC 1626a_100020586998_100000184203 [0,2,0,0,0,0|1,0,0]=3 7106 B14R1.926 C=CCNC(=O)c1ccc(cc1)OC 240690a_100020586998_100000184203 [0,2,0,0,0,0|1,0,0]=3 7107 B14R1.926 C=CCNC(=O)c1ccc(cc1)OC 527a_100020586998_100000184203 [0,2,0,0,0,0|1,0,0]=3 7108 B14R1.926 C=CCNC(=O)c1ccc(cc1)SC 1626a_100020586998_100000189692 [0,2,0,0,0,0|1,1,0]=4 7109 B14R1.926 C=CCNC(=O)c1ccc(cc1)SC 240690a_100020586998_100000189692 [0,2,0,0,0,0|1,1,0]=4 7110 B14R1.926 C=CCNC(=O)c1ccc(cc1)SC 527a_100020586998_100000189692 [0,2,0,0,0,0|1,1,0]=4 7111 B14R1.926 C=CCOC(=O)c1ccc(cc1)OC 7a_200000006381_200000210301 [0,2,0,0,0,0|0,0,0]=2 7112 B14R1.926 C=CCOC(=O)c1ccc(cc1)O[13CH3] 7a_200000006381_200025704644 [0,2,0,0,0,0|0,0,0]=2 7113 B14R1.926 C=CCOC(C)c1ccc(cc1)OC 34a_100000742907_100015514636 [0,2,0,0,0,0|1,0,1]=4 7114 B14R1.926 C=CCOC(C)c1ccc(cc1)OC 7a_100000742907_100015514636 [0,2,0,0,0,0|1,0,1]=4 7115 B14R1.926 C=Cc1ccc(cc1)C(=O)CCOC 1458a_100000687532_100000233755 [0,2,0,0,0,0|1,0,1]=4 7116 B14R1.926 CC#CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000748600 [0,2,0,0,0,0|2,0,0]=4 7117 B14R1.926 CC#CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000748600 [0,2,0,0,0,0|1,0,0]=3 7118 B14R1.926 CC#CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000748600 [0,2,0,0,0,0|1,1,0]=4 7119 B14R1.926 CC=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000070051 [0,2,0,0,0,0|2,0,0]=4 7120 B14R1.926 CC=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000070051 [0,2,0,0,0,0|1,0,0]=3 7121 B14R1.926 CC=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000070051 [0,2,0,0,0,0|1,1,0]=4 7122 B14R1.926 CC=NNC(=O)c1ccc(cc1)CC 4a_100000184134_200000210099 [0,2,0,0,0,0|2,0,0]=4 7123 B14R1.926 CC=NNC(=O)c1ccc(cc1)OC 4a_100000186299_200000210099 [0,2,0,0,0,0|1,0,0]=3 7124 B14R1.926 CC=NNC(=O)c1ccc(cc1)SC 4a_100000190082_200000210099 [0,2,0,0,0,0|1,1,0]=4 7125 B14R1.926 CCCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210211 [0,2,0,0,0,0|2,0,0]=4 7126 B14R1.926 CCCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210211 [0,2,0,0,0,0|1,0,0]=3 7127 B14R1.926 CCCCC(=O)c1ccc(cc1)OC 34a_100000040048_200000210301 [0,2,0,0,0,0|1,0,0]=3 7128 B14R1.926 CCCCC(=O)c1ccc(cc1)OC 7a_100000040048_200000210301 [0,2,0,0,0,0|1,0,0]=3 7129 B14R1.926 CCCCC(=O)c1ccc(cc1)O[13CH3] 34a_100000040048_200025704644 [0,2,0,0,0,0|1,0,0]=3 7130 B14R1.926 CCCCC(=O)c1ccc(cc1)O[13CH3] 7a_100000040048_200025704644 [0,2,0,0,0,0|1,0,0]=3 7131 B14R1.926 CCCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210211 [0,2,0,0,0,0|1,1,0]=4 7132 B14R1.926 CCCCC(=O)c1ccc(cc1)SC 62a_100011215321_200000210301 [0,2,0,0,0,0|1,1,0]=4 7133 B14R1.926 CCCCC(=O)c1ccc(cc1)SC 62a_200000210301_100011215321 [0,2,0,0,0,0|1,1,0]=4 7134 B14R1.926 CCCCC(=O)c1ccc(cc1)S[13CH3] 62a_100011215321_200025704644 [0,2,0,0,0,0|1,1,0]=4 7135 B14R1.926 CCCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011215321 [0,2,0,0,0,0|1,1,0]=4 7136 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 11a_100020643023_100000211226 [0,2,0,0,0,0|2,0,0]=4 7137 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 1626a_100020643023_100000211226 [0,2,0,0,0,0|2,0,0]=4 7138 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 240690a_100020643023_100000211226 [0,2,0,0,0,0|2,0,0]=4 7139 B14R1.926 CCCNC(=O)c1ccc(cc1)CC 527a_100020643023_100000211226 [0,2,0,0,0,0|2,0,0]=4 7140 B14R1.926 CCCNC(=O)c1ccc(cc1)NC 2230a_100000725496_200000210301 [0,2,0,0,0,0|2,0,0]=4 7141 B14R1.926 CCCNC(=O)c1ccc(cc1)NC 27a_100102657272_200000152267 [0,2,0,0,0,0|2,0,0]=4 7142 B14R1.926 CCCNC(=O)c1ccc(cc1)NC 34a_100000725496_200000210301 [0,2,0,0,0,0|2,0,0]=4 7143 B14R1.926 CCCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000725496_200025704644 [0,2,0,0,0,0|2,0,0]=4 7144 B14R1.926 CCCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000725496_200025704644 [0,2,0,0,0,0|2,0,0]=4 7145 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 11a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7146 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 1626a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7147 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 240690a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7148 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 34a_100000187946_200000210301 [0,2,0,0,0,0|1,0,0]=3 7149 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 527a_100020643023_100000184203 [0,2,0,0,0,0|1,0,0]=3 7150 B14R1.926 CCCNC(=O)c1ccc(cc1)OC 7a_100000187946_200000210301 [0,2,0,0,0,0|1,0,0]=3 7151 B14R1.926 CCCNC(=O)c1ccc(cc1)O[13CH3] 34a_100000187946_200025704644 [0,2,0,0,0,0|1,0,0]=3 7152 B14R1.926 CCCNC(=O)c1ccc(cc1)O[13CH3] 7a_100000187946_200025704644 [0,2,0,0,0,0|1,0,0]=3 7153 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 11a_100020643023_100000189692 [0,2,0,0,0,0|1,1,0]=4 7154 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 1626a_100020643023_100000189692 [0,2,0,0,0,0|1,1,0]=4 7155 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 240690a_100020643023_100000189692 [0,2,0,0,0,0|1,1,0]=4 7156 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 527a_100020643023_100000189692 [0,2,0,0,0,0|1,1,0]=4 7157 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 62a_200000152267_200000210301 [0,2,0,0,0,0|1,1,0]=4 7158 B14R1.926 CCCNC(=O)c1ccc(cc1)SC 62a_200000210301_200000152267 [0,2,0,0,0,0|1,1,0]=4 7159 B14R1.926 CCCNC(=O)c1ccc(cc1)S[13CH3] 62a_200000152267_200025704644 [0,2,0,0,0,0|1,1,0]=4 7160 B14R1.926 CCCNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_200000152267 [0,2,0,0,0,0|1,1,0]=4 7161 B14R1.926 CCCOC(=O)c1ccc(cc1)OC 34a_100000169887_200000210301 [0,2,0,0,0,0|0,0,0]=2 7162 B14R1.926 CCCOC(=O)c1ccc(cc1)OC 7a_100000169887_200000210301 [0,2,0,0,0,0|0,0,0]=2 7163 B14R1.926 CCCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169887_200025704644 [0,2,0,0,0,0|0,0,0]=2 7164 B14R1.926 CCCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169887_200025704644 [0,2,0,0,0,0|0,0,0]=2 7165 B14R1.926 CCCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210303 [0,2,0,0,0,0|1,0,1]=4 7166 B14R1.926 CCCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210303 [0,2,0,0,0,0|1,0,1]=4 7167 B14R1.926 CCNCC(=O)c1ccc(cc1)CC 2230a_100015525214_100000689809 [0,2,0,0,0,0|2,0,0]=4 7168 B14R1.926 CCNCC(=O)c1ccc(cc1)OC 2230a_100015525214_100000212054 [0,2,0,0,0,0|1,0,0]=3 7169 B14R1.926 CCNCC(=O)c1ccc(cc1)SC 2230a_100015525214_100011216809 [0,2,0,0,0,0|1,1,0]=4 7170 B14R1.926 CCNN=C(C)c1ccc(cc1)OC 4a_100000756455_100000169859 [0,2,0,0,0,0|2,0,0]=4 7171 B14R1.926 CCNNC(=O)c1ccc(cc1)CC 22a_100000756455_100000211226 [0,2,0,0,0,0|2,0,0]=4 7172 B14R1.926 CCNNC(=O)c1ccc(cc1)OC 22a_100000756455_100000184203 [0,2,0,0,0,0|1,0,0]=3 7173 B14R1.926 CCNNC(=O)c1ccc(cc1)SC 22a_100000756455_100000189692 [0,2,0,0,0,0|1,1,0]=4 7174 B14R1.926 CCOCC(=O)c1ccc(cc1)C#N 34a_100011592799_100000210202 [0,2,0,0,0,0|2,0,0]=4 7175 B14R1.926 CCOCC(=O)c1ccc(cc1)SC 34a_100121572206_100011216809 [0,2,0,0,0,0|0,1,0]=3 7176 B14R1.926 CCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000210202 [0,2,0,0,0,0|1,0,1]=4 7177 B14R1.926 CCOCN(C)c1ccc(cc1)OC 269982a_100000220023_100000739092 [0,2,0,0,0,0|2,0,0]=4 7178 B14R1.926 CCSCC(=O)c1ccc(cc1)CC 62a_100000210202_100000689809 [0,2,0,0,0,0|1,1,0]=4 7179 B14R1.926 CCSCC(=O)c1ccc(cc1)CC 62a_100000689809_100000210202 [0,2,0,0,0,0|1,1,0]=4 7180 B14R1.926 CCSCC(=O)c1ccc(cc1)OC 62a_100000210202_100000212054 [0,2,0,0,0,0|0,1,0]=3 7181 B14R1.926 CCSCC(=O)c1ccc(cc1)OC 62a_100000212054_100000210202 [0,2,0,0,0,0|0,1,0]=3 7182 B14R1.926 CCSCC(=O)c1ccc(cc1)SC 62a_100000210202_100011216809 [0,2,0,0,0,0|0,2,0]=4 7183 B14R1.926 CCSCC(=O)c1ccc(cc1)SC 62a_100011216809_100000210202 [0,2,0,0,0,0|0,2,0]=4 7184 B14R1.926 CCc1ccc(cc1)C(=O)CCC#N 1458a_100000211226_100011215226 [0,2,0,0,0,0|2,0,0]=4 7185 B14R1.926 CCc1ccc(cc1)C(=O)CCCF 1458a_100000211226_100011934791 [0,2,0,0,0,0|2,0,0]=4 7186 B14R1.926 CCc1ccc(cc1)C(=O)CCCO 1458a_100000211226_100011215043 [0,2,0,0,0,0|2,0,0]=4 7187 B14R1.926 CCc1ccc(cc1)C(=O)CCOC 1458a_100000211226_100000233755 [0,2,0,0,0,0|1,0,0]=3 7188 B14R1.926 CCc1ccc(cc1)C(=O)CCSC 1458a_100000211226_100000751147 [0,2,0,0,0,0|1,1,0]=4 7189 B14R1.926 CCc1ccc(cc1)C(=O)CSCF 62a_100000689809_100015361967 [0,2,0,0,0,0|1,1,0]=4 7190 B14R1.926 CCc1ccc(cc1)C(=O)CSCF 62a_100015361967_100000689809 [0,2,0,0,0,0|1,1,0]=4 7191 B14R1.926 CCc1ccc(cc1)C(=O)NCC#N 1626a_100000734998_100000211226 [0,2,0,0,0,0|2,0,0]=4 7192 B14R1.926 CCc1ccc(cc1)C(=O)NCC#N 527a_100000734998_100000211226 [0,2,0,0,0,0|2,0,0]=4 7193 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7194 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7195 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7196 B14R1.926 CCc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000211226 [0,2,0,0,0,0|2,0,0]=4 7197 B14R1.926 CCc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000211226 [0,2,0,0,0,0|2,0,0]=4 7198 B14R1.926 CCc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000211226 [0,2,0,0,0,0|2,0,0]=4 7199 B14R1.926 CNCCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000700936 [0,2,0,0,0,0|1,0,0]=3 7200 B14R1.926 CNCCC(=O)c1ccc(cc1)OC 7a_106832991635_100000700936 [0,2,0,0,0,0|1,0,0]=3 7201 B14R1.926 CNc1ccc(cc1)C(=O)NCC#N 27a_100102657272_100000752546 [0,2,0,0,0,0|2,0,0]=4 7202 B14R1.926 CNc1ccc(cc1)C(=O)NCCO 27a_100102657272_200000158904 [0,2,0,0,0,0|2,0,0]=4 7203 B14R1.926 CNc1ccc(cc1)C(=O)NCCO 34a_100000740983_200000210301 [0,2,0,0,0,0|2,0,0]=4 7204 B14R1.926 COCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000233755 [0,2,0,0,0,0|2,0,0]=4 7205 B14R1.926 COCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000233755 [0,2,0,0,0,0|2,0,0]=4 7206 B14R1.926 COCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000233755 [0,2,0,0,0,0|0,0,0]=2 7207 B14R1.926 COCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000233755 [0,2,0,0,0,0|0,1,0]=3 7208 B14R1.926 COCCC(N)c1ccc(cc1)OC 34a_100000752340_200000210301 [0,2,0,0,0,0|1,0,1]=4 7209 B14R1.926 COCCN(C)c1ccc(cc1)OC 2230a_100000220023_100011201679 [0,2,0,0,0,0|2,0,0]=4 7210 B14R1.926 COCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000233755 [0,2,0,0,0,0|2,0,0]=4 7211 B14R1.926 COCCN(C)c1ccc(cc1)OC 34a_100000220023_100011201679 [0,2,0,0,0,0|2,0,0]=4 7212 B14R1.926 COCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000766300 [0,2,0,0,0,0|1,0,1]=4 7213 B14R1.926 COc1ccc(cc1)C(=O)CCC#N 1458a_100000184203_100011215226 [0,2,0,0,0,0|1,0,0]=3 7214 B14R1.926 COc1ccc(cc1)C(=O)CCCCl 7a_100000039620_200000210301 [0,2,0,0,0,0|1,0,0]=3 7215 B14R1.926 COc1ccc(cc1)C(=O)CCCF 1458a_100000184203_100011934791 [0,2,0,0,0,0|1,0,0]=3 7216 B14R1.926 COc1ccc(cc1)C(=O)CCCO 1458a_100000184203_100011215043 [0,2,0,0,0,0|1,0,0]=3 7217 B14R1.926 COc1ccc(cc1)C(=O)CCSC 1458a_100000184203_100000751147 [0,2,0,0,0,0|0,1,0]=3 7218 B14R1.926 COc1ccc(cc1)C(=O)CCSC 62a_200000210301_100000700936 [0,2,0,0,0,0|0,1,0]=3 7219 B14R1.926 COc1ccc(cc1)C(=O)CCS[13CH3] 62a_200025704644_100000700936 [0,2,0,0,0,0|0,1,0]=3 7220 B14R1.926 COc1ccc(cc1)C(=O)CSCF 62a_100000212054_100015361967 [0,2,0,0,0,0|0,1,0]=3 7221 B14R1.926 COc1ccc(cc1)C(=O)CSCF 62a_100015361967_100000212054 [0,2,0,0,0,0|0,1,0]=3 7222 B14R1.926 COc1ccc(cc1)C(=O)NCC#N 1626a_100000734998_100000184203 [0,2,0,0,0,0|1,0,0]=3 7223 B14R1.926 COc1ccc(cc1)C(=O)NCC#N 527a_100000734998_100000184203 [0,2,0,0,0,0|1,0,0]=3 7224 B14R1.926 COc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000184203 [0,2,0,0,0,0|1,0,0]=3 7225 B14R1.926 COc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000184203 [0,2,0,0,0,0|1,0,0]=3 7226 B14R1.926 COc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000184203 [0,2,0,0,0,0|1,0,0]=3 7227 B14R1.926 COc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000184203 [0,2,0,0,0,0|1,0,0]=3 7228 B14R1.926 COc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000184203 [0,2,0,0,0,0|1,0,0]=3 7229 B14R1.926 COc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000184203 [0,2,0,0,0,0|1,0,0]=3 7230 B14R1.926 COc1ccc(cc1)C(=O)OCCO 34a_100000031026_200000210301 [0,2,0,0,0,0|0,0,0]=2 7231 B14R1.926 COc1ccc(cc1)C(=O)OCCO 7a_100000031026_200000210301 [0,2,0,0,0,0|0,0,0]=2 7232 B14R1.926 COc1ccc(cc1)C(C)OCC#N 7a_100000742907_100011215382 [0,2,0,0,0,0|1,0,1]=4 7233 B14R1.926 COc1ccc(cc1)C(C)OCC=O 34a_100000742907_200009817547 [0,2,0,0,0,0|1,0,1]=4 7234 B14R1.926 COc1ccc(cc1)C(C)OCC=O 7a_100000742907_200015260668 [0,2,0,0,0,0|1,0,1]=4 7235 B14R1.926 COc1ccc(cc1)C(C)OCCF 34a_100000742907_100011217306 [0,2,0,0,0,0|1,0,1]=4 7236 B14R1.926 COc1ccc(cc1)C(C)OCCF 7a_100000742907_100011217306 [0,2,0,0,0,0|1,0,1]=4 7237 B14R1.926 COc1ccc(cc1)C(C)OCCO 34a_100000742907_100000211926 [0,2,0,0,0,0|1,0,1]=4 7238 B14R1.926 COc1ccc(cc1)C(C)OCCO 7a_100000742907_100000211926 [0,2,0,0,0,0|1,0,1]=4 7239 B14R1.926 COc1ccc(cc1)C(C)OCSC 34a_100000742907_100011218213 [0,2,0,0,0,0|1,0,1]=4 7240 B14R1.926 COc1ccc(cc1)C(N)CCO[13CH3] 34a_100000752340_200025704644 [0,2,0,0,0,0|1,0,1]=4 7241 B14R1.926 COc1ccc(cc1)C(N)COCF 34a_100000751956_100015361967 [0,2,0,0,0,0|1,0,1]=4 7242 B14R1.926 CSCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000751147 [0,2,0,0,0,0|0,2,0]=4 7243 B14R1.926 CSc1ccc(cc1)C(=O)CCC#N 1458a_100000189692_100011215226 [0,2,0,0,0,0|1,1,0]=4 7244 B14R1.926 CSc1ccc(cc1)C(=O)CCC#N 62a_100000689336_200000210301 [0,2,0,0,0,0|1,1,0]=4 7245 B14R1.926 CSc1ccc(cc1)C(=O)CCC#N 62a_200000210301_100000689336 [0,2,0,0,0,0|1,1,0]=4 7246 B14R1.926 CSc1ccc(cc1)C(=O)CCCF 1458a_100000189692_100011934791 [0,2,0,0,0,0|1,1,0]=4 7247 B14R1.926 CSc1ccc(cc1)C(=O)CCCO 1458a_100000189692_100011215043 [0,2,0,0,0,0|1,1,0]=4 7248 B14R1.926 CSc1ccc(cc1)C(=O)CSCF 62a_100011216809_100015361967 [0,2,0,0,0,0|0,2,0]=4 7249 B14R1.926 CSc1ccc(cc1)C(=O)CSCF 62a_100015361967_100011216809 [0,2,0,0,0,0|0,2,0]=4 7250 B14R1.926 CSc1ccc(cc1)C(=O)NCC#N 1626a_100000734998_100000189692 [0,2,0,0,0,0|1,1,0]=4 7251 B14R1.926 CSc1ccc(cc1)C(=O)NCC#N 527a_100000734998_100000189692 [0,2,0,0,0,0|1,1,0]=4 7252 B14R1.926 CSc1ccc(cc1)C(=O)NCC#N 62a_100000752546_200000210301 [0,2,0,0,0,0|1,1,0]=4 7253 B14R1.926 CSc1ccc(cc1)C(=O)NCC#N 62a_200000210301_100000752546 [0,2,0,0,0,0|1,1,0]=4 7254 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000189692 [0,2,0,0,0,0|1,1,0]=4 7255 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000189692 [0,2,0,0,0,0|1,1,0]=4 7256 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000189692 [0,2,0,0,0,0|1,1,0]=4 7257 B14R1.926 CSc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000189692 [0,2,0,0,0,0|1,1,0]=4 7258 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000189692 [0,2,0,0,0,0|1,1,0]=4 7259 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000189692 [0,2,0,0,0,0|1,1,0]=4 7260 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 62a_200000158904_200000210301 [0,2,0,0,0,0|1,1,0]=4 7261 B14R1.926 CSc1ccc(cc1)C(=O)NCCO 62a_200000210301_200000158904 [0,2,0,0,0,0|1,1,0]=4 7262 B14R1.926 N#Cc1ccc(cc1)C(=O)COCF 34a_100011592799_100015361967 [0,2,0,0,0,0|2,0,0]=4 7263 B14R1.926 [13CH3]Nc1ccc(cc1)C(=O)NCCO 34a_100000740983_200025704644 [0,2,0,0,0,0|2,0,0]=4 7264 B14R1.926 [13CH3]Oc1ccc(cc1)C(=O)CCCCl 7a_100000039620_200025704644 [0,2,0,0,0,0|1,0,0]=3 7265 B14R1.926 [13CH3]Oc1ccc(cc1)C(=O)OCCO 34a_100000031026_200025704644 [0,2,0,0,0,0|0,0,0]=2 7266 B14R1.926 [13CH3]Oc1ccc(cc1)C(=O)OCCO 7a_100000031026_200025704644 [0,2,0,0,0,0|0,0,0]=2 7267 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)CCC#N 62a_100000689336_200025704644 [0,2,0,0,0,0|1,1,0]=4 7268 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)CCC#N 62a_200025704644_100000689336 [0,2,0,0,0,0|1,1,0]=4 7269 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)NCC#N 62a_100000752546_200025704644 [0,2,0,0,0,0|1,1,0]=4 7270 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)NCC#N 62a_200025704644_100000752546 [0,2,0,0,0,0|1,1,0]=4 7271 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)NCCO 62a_200000158904_200025704644 [0,2,0,0,0,0|1,1,0]=4 7272 B14R1.926 [13CH3]Sc1ccc(cc1)C(=O)NCCO 62a_200025704644_200000158904 [0,2,0,0,0,0|1,1,0]=4 7273 B14R1.719 CCC(=O)c1ccc(cc1)C(C)(C)C 1458a_100000210226_100000210202 [0,2,0,0,0,0|2,0,0]=4 7274 B14R1.719 CCC(=O)c1ccc(cc1)C(C)(F)F 1458a_100000734349_100000210202 [0,2,0,0,0,0|2,0,0]=4 7275 B14R1.719 CCC(=O)c1ccc(cc1)S(=O)(=O)C 1458a_100000185160_100000210202 [0,2,0,0,0,0|1,1,0]=4 7276 B14R1.719 CCC(=O)c1ccc(cc1)[Si](C)(C)C 1458a_100009908145_100000210202 [0,2,0,0,0,0|2,0,0]=4 7277 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 11a_106832991635_100000210226 [0,2,0,0,0,0|2,0,0]=4 7278 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 1626a_100102657272_100000210226 [0,2,0,0,0,0|2,0,0]=4 7279 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 240690a_100102657272_100000210226 [0,2,0,0,0,0|2,0,0]=4 7280 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 527a_100102657272_100000210226 [0,2,0,0,0,0|2,0,0]=4 7281 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 11a_106832991635_100000734349 [0,2,0,0,0,0|2,0,0]=4 7282 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 1626a_100102657272_100000734349 [0,2,0,0,0,0|2,0,0]=4 7283 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 240690a_100102657272_100000734349 [0,2,0,0,0,0|2,0,0]=4 7284 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 527a_100102657272_100000734349 [0,2,0,0,0,0|2,0,0]=4 7285 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 11a_106832991635_100000185160 [0,2,0,0,0,0|1,1,0]=4 7286 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 1626a_100102657272_100000185160 [0,2,0,0,0,0|1,1,0]=4 7287 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 240690a_100102657272_100000185160 [0,2,0,0,0,0|1,1,0]=4 7288 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 527a_100102657272_100000185160 [0,2,0,0,0,0|1,1,0]=4 7289 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 11a_106832991635_100009908145 [0,2,0,0,0,0|2,0,0]=4 7290 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 1626a_100102657272_100009908145 [0,2,0,0,0,0|2,0,0]=4 7291 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 240690a_100102657272_100009908145 [0,2,0,0,0,0|2,0,0]=4 7292 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 527a_100102657272_100009908145 [0,2,0,0,0,0|2,0,0]=4 7293 B14R1.747 C=C(C)c1ccc(cc1Br)C(=O)OC 271570a_100000694244_100011294788 [0,2,0,0,0,0|1,0,0]=3 7294 B14R1.747 C=C(C)c1ccc(cc1C)C(=O)CC 271570a_100000694244_200012349626 [0,2,0,0,0,0|2,0,0]=4 7295 B14R1.747 C=C(C)c1ccc(cc1C)C(=O)NC 271570a_100000694244_200013065384 [0,2,0,0,0,0|2,0,0]=4 7296 B14R1.747 C=C(C)c1ccc(cc1C)C(=O)OC 271570a_100000694244_100011215878 [0,2,0,0,0,0|1,0,0]=3 7297 B14R1.747 C=C(C)c1ccc(cc1Cl)C(=O)OC 271570a_100000694244_100012356344 [0,2,0,0,0,0|1,0,0]=3 7298 B14R1.747 C=C(C)c1ccc(cc1F)C(=O)OC 271570a_100000694244_100000703229 [0,2,0,0,0,0|1,0,0]=3 7299 B14R1.747 C=C(C)c1ccc(cc1N)C(=O)OC 271570a_100000694244_100011450966 [0,2,0,0,0,0|1,0,0]=3 7300 B14R1.747 C=C(C)c1ccc(cc1O)C(=O)OC 271570a_100000694244_100012350776 [0,2,0,0,0,0|1,0,0]=3 7301 B14R1.747 C=C(C)c1ccc(nc1C)C(=O)OC 271570a_100000694244_100010207261 [0,2,0,0,0,0|2,0,0]=4 7302 B14R1.747 C=C(C)c1ccc(nc1F)C(=O)OC 271570a_100000694244_100010189630 [0,2,0,0,0,0|2,0,0]=4 7303 B14R1.747 C=C(C)c1ccc(nc1N)C(=O)OC 271570a_100000694244_100010187631 [0,2,0,0,0,0|2,0,0]=4 7304 B14R1.747 C=C(C)c1ccc(nc1O)C(=O)OC 271570a_100000694244_100010189637 [0,2,0,0,0,0|2,0,0]=4 7305 B14R1.747 C=C(C)c1cnc(cc1C)C(=O)OC 271570a_100000694244_100010080863 [0,2,0,0,0,0|2,0,0]=4 7306 B14R1.747 C=C(C)c1cnc(cc1N)C(=O)OC 271570a_100000694244_100016001589 [0,2,0,0,0,0|2,0,0]=4 7307 B14R1.747 C=C(C)c1ncc(cc1Br)C(=O)OC 271570a_100000694244_100010114297 [0,2,0,0,0,0|2,0,0]=4 7308 B14R1.747 C=C(C)c1ncc(cc1C)C(=O)OC 271570a_100000694244_100009862495 [0,2,0,0,0,0|2,0,0]=4 7309 B14R1.747 C=C(C)c1ncc(cc1F)C(=O)OC 271570a_100000694244_100010189625 [0,2,0,0,0,0|2,0,0]=4 7310 B14R1.747 C=C(C)c1ncc(cc1N)C(=O)OC 271570a_100000694244_100000079130 [0,2,0,0,0,0|2,0,0]=4 7311 B14R1.747 C=C(C)c1ncc(cc1O)C(=O)OC 271570a_100000694244_100010999399 [0,2,0,0,0,0|2,0,0]=4 7312 B14R1.747 CCC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_100000210202 [0,2,0,0,0,0|2,0,0]=4 7313 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 11a_106832991635_100010235942 [0,2,0,0,0,0|2,0,0]=4 7314 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 1626a_100102657272_100010235942 [0,2,0,0,0,0|2,0,0]=4 7315 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 240690a_100102657272_100010235942 [0,2,0,0,0,0|2,0,0]=4 7316 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 527a_100102657272_100010235942 [0,2,0,0,0,0|2,0,0]=4 7317 B14R1.747 CNC(=O)c1ccc(c(c1)C)N(C)C 27a_100102631434_200013065384 [0,2,0,0,0,0|2,0,0]=4 7318 B14R1.747 COC(=O)c1ccc(c(c1)Br)C(=O)C 1458a_200010202026_200000210301 [0,2,0,0,0,0|1,0,0]=3 7319 B14R1.747 COC(=O)c1ccc(c(c1)Br)C(=O)[13CH3] 1458a_200010202026_200025704644 [0,2,0,0,0,0|1,0,0]=3 7320 B14R1.747 COC(=O)c1ccc(c(c1)Cl)C(=O)C 1458a_100010291778_200000210301 [0,2,0,0,0,0|1,0,0]=3 7321 B14R1.747 COC(=O)c1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100010291778_200025704644 [0,2,0,0,0,0|1,0,0]=3 7322 B14R1.747 COC(=O)c1ccc(c(c1)F)C(=O)C 1458a_100000703384_200000210301 [0,2,0,0,0,0|1,0,0]=3 7323 B14R1.747 COC(=O)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000703384_200025704644 [0,2,0,0,0,0|1,0,0]=3 7324 B14R1.747 COC(=O)c1ccc(c(c1)O)C(=O)C 1458a_100000101776_200000210301 [0,2,0,0,0,0|1,0,0]=3 7325 B14R1.747 COC(=O)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000101776_200025704644 [0,2,0,0,0,0|1,0,0]=3 7326 B14R1.747 COC(=O)c1ccc(c(c1)O)C(C)C 271570a_203496583355_200010236285 [0,2,0,0,0,0|1,0,0]=3 7327 B14R1.747 COC(=O)c1ccc(c(n1)F)N(C)C 27a_100102631434_100010189630 [0,2,0,0,0,0|2,0,0]=4 7328 B14R1.747 COC(=O)c1cnc(c(c1)Br)N(C)C 27a_100102631434_100010114297 [0,2,0,0,0,0|2,0,0]=4 7329 B14R1.747 COC(=O)c1cnc(c(c1)C)N(C)C 27a_100102631434_100009862495 [0,2,0,0,0,0|2,0,0]=4 7330 B14R1.747 COC(=O)c1cnc(c(c1)F)N(C)C 27a_100102631434_100009877320 [0,2,0,0,0,0|2,0,0]=4 7331 B14R1.747 COC(=O)c1cnc(c(c1)N)N(C)C 27a_100102631434_100000079130 [0,2,0,0,0,0|2,0,0]=4 7332 B14R1.1864 C#Cc1cc(ccc1CC)C(=O)CC 1458a_200134618274_100000210202 [0,2,0,0,0,0|2,0,0]=4 7333 B14R1.1864 C#Cc1cc(ccc1CC)C(=O)NC 11a_106832991635_200134618274 [0,2,0,0,0,0|2,0,0]=4 7334 B14R1.1864 C#Cc1cc(ccc1CC)C(=O)NC 1626a_100102657272_200134618274 [0,2,0,0,0,0|2,0,0]=4 7335 B14R1.1864 C#Cc1cc(ccc1CC)C(=O)NC 240690a_100102657272_200134618274 [0,2,0,0,0,0|2,0,0]=4 7336 B14R1.1864 C#Cc1cc(ccc1CC)C(=O)NC 527a_100102657272_200134618274 [0,2,0,0,0,0|2,0,0]=4 7337 B14R1.1864 C=Cc1cc(ccc1C#N)C(=O)OC 271570a_100011290941_100009861381 [0,2,0,0,0,0|2,0,0]=4 7338 B14R1.1864 C=Cc1cc(ccc1C=O)C(=O)OC 271570a_100011290941_100012179231 [0,2,0,0,0,0|2,0,0]=4 7339 B14R1.1864 C=Cc1cc(ccc1CC)C(=O)OC 271570a_100011290941_200012360130 [0,2,0,0,0,0|1,0,0]=3 7340 B14R1.1864 C=Cc1cc(ccc1CO)C(=O)OC 271570a_100011290941_100012355398 [0,2,0,0,0,0|2,0,0]=4 7341 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)NN 271570a_100011290941_100000186317 [0,2,0,0,0,0|2,0,0]=4 7342 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)OC 271570a_100011290941_100000189012 [0,2,0,0,0,0|0,0,0]=2 7343 B14R1.1864 C=Cc1cc(cnc1OC)C(=O)OC 271570a_100011290941_100010189640 [0,2,0,0,0,0|1,0,0]=3 7344 B14R1.1864 C=Cc1cc(ncc1OC)C(=O)OC 271570a_100011290941_200010136175 [0,2,0,0,0,0|1,0,0]=3 7345 B14R1.1864 C=Cc1ccc(cc1C#N)C(=O)OC 271570a_100011290941_100010150795 [0,2,0,0,0,0|1,0,1]=4 7346 B14R1.1864 C=Cc1ccc(cc1C=O)C(=O)OC 271570a_100011290941_100012274322 [0,2,0,0,0,0|1,0,1]=4 7347 B14R1.1864 C=Cc1ccc(cc1CO)C(=O)OC 271570a_100011290941_100010201863 [0,2,0,0,0,0|1,0,1]=4 7348 B14R1.1864 C=Cc1ccc(cc1OC)C(=O)OC 271570a_100011290941_100009816954 [0,2,0,0,0,0|1,0,1]=4 7349 B14R1.1864 C=Cc1nc(ccc1OC)C(=O)OC 271570a_100011290941_100010205418 [0,2,0,0,0,0|1,0,0]=3 7350 B14R1.1864 CCC(=O)c1ccc(c(c1)C#N)OC 1458a_100011999887_100000210202 [0,2,0,0,0,0|1,0,0]=3 7351 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [0,2,0,0,0,0|1,0,0]=3 7352 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [0,2,0,0,0,0|1,0,0]=3 7353 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [0,2,0,0,0,0|1,0,0]=3 7354 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [0,2,0,0,0,0|1,0,0]=3 7355 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [0,2,0,0,0,0|1,0,0]=3 7356 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200000210301_200012360130 [0,2,0,0,0,0|1,0,0]=3 7357 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200012360130_200000210301 [0,2,0,0,0,0|1,0,0]=3 7358 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200012360130_200025704644 [0,2,0,0,0,0|1,0,0]=3 7359 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200025704644_200012360130 [0,2,0,0,0,0|1,0,0]=3 7360 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 11a_106832991635_100011999887 [0,2,0,0,0,0|1,0,0]=3 7361 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 1626a_100102657272_100011999887 [0,2,0,0,0,0|1,0,0]=3 7362 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 240690a_100102657272_100011999887 [0,2,0,0,0,0|1,0,0]=3 7363 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 527a_100102657272_100011999887 [0,2,0,0,0,0|1,0,0]=3 7364 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 2230a_100000740754_200000210301 [0,2,0,0,0,0|1,0,0]=3 7365 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 34a_100000740754_200000210301 [0,2,0,0,0,0|1,0,0]=3 7366 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 2230a_100000740754_200025704644 [0,2,0,0,0,0|1,0,0]=3 7367 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 34a_100000740754_200025704644 [0,2,0,0,0,0|1,0,0]=3 7368 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 2230a_100011850465_200000210301 [0,2,0,0,0,0|2,0,0]=4 7369 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 34a_100011850465_200000210301 [0,2,0,0,0,0|2,0,0]=4 7370 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 2230a_100011850465_200025704644 [0,2,0,0,0,0|2,0,0]=4 7371 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 34a_100011850465_200025704644 [0,2,0,0,0,0|2,0,0]=4 7372 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [0,2,0,0,0,0|1,0,0]=3 7373 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 7374 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 7375 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 7376 B14R1.1864 CNc1ccc(cc1C#N)C(=O)OC 27a_100102657272_100010150795 [0,2,0,0,0,0|1,0,0]=3 7377 B14R1.1864 CNc1ccc(nc1C#N)C(=O)OC 27a_100102657272_100010187627 [0,2,0,0,0,0|2,0,0]=4 7378 B14R1.1864 CNc1ncc(cc1OC)C(=O)OC 27a_100102657272_100010074909 [0,2,0,0,0,0|2,0,0]=4 7379 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200000210301_200010136175 [0,2,0,0,0,0|1,0,0]=3 7380 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200010136175_200000210301 [0,2,0,0,0,0|1,0,0]=3 7381 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200010136175_200025704644 [0,2,0,0,0,0|1,0,0]=3 7382 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200025704644_200010136175 [0,2,0,0,0,0|1,0,0]=3 7383 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_100010136178_200000210301 [0,2,0,0,0,0|1,1,0]=4 7384 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_200000210301_100010136178 [0,2,0,0,0,0|1,1,0]=4 7385 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_100010136178_200025704644 [0,2,0,0,0,0|1,1,0]=4 7386 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010136178 [0,2,0,0,0,0|1,1,0]=4 7387 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 34a_100009865136_200000210301 [0,2,0,0,0,0|0,0,0]=2 7388 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 7a_100009865136_200000210301 [0,2,0,0,0,0|0,0,0]=2 7389 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 34a_100009865136_200025704644 [0,2,0,0,0,0|0,0,0]=2 7390 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 7a_100009865136_200025704644 [0,2,0,0,0,0|0,0,0]=2 7391 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)SC 62a_200000210301_100010150795 [0,2,0,0,0,0|0,1,0]=3 7392 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100010150795 [0,2,0,0,0,0|0,1,0]=3 7393 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)SC 62a_100012274322_200000210301 [0,2,0,0,0,0|0,1,0]=3 7394 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)SC 62a_200000210301_100012274322 [0,2,0,0,0,0|0,1,0]=3 7395 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)S[13CH3] 62a_100012274322_200025704644 [0,2,0,0,0,0|0,1,0]=3 7396 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100012274322 [0,2,0,0,0,0|0,1,0]=3 7397 B14R1.1864 COC(=O)c1ccc(c(c1)CO)SC 62a_100010201863_200000210301 [0,2,0,0,0,0|0,1,0]=3 7398 B14R1.1864 COC(=O)c1ccc(c(c1)CO)SC 62a_200000210301_100010201863 [0,2,0,0,0,0|0,1,0]=3 7399 B14R1.1864 COC(=O)c1ccc(c(c1)CO)S[13CH3] 62a_100010201863_200025704644 [0,2,0,0,0,0|0,1,0]=3 7400 B14R1.1864 COC(=O)c1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100010201863 [0,2,0,0,0,0|0,1,0]=3 7401 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 34a_100000044657_200000210301 [0,2,0,0,0,0|2,0,0]=4 7402 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 7a_100000044657_200000210301 [0,2,0,0,0,0|2,0,0]=4 7403 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [0,2,0,0,0,0|0,0,0]=2 7404 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [0,2,0,0,0,0|0,0,0]=2 7405 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [0,2,0,0,0,0|0,0,0]=2 7406 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [0,2,0,0,0,0|0,0,0]=2 7407 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [0,2,0,0,0,0|0,0,0]=2 7408 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [0,2,0,0,0,0|0,0,0]=2 7409 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_100009816954_200000210301 [0,2,0,0,0,0|0,1,0]=3 7410 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100009816954 [0,2,0,0,0,0|0,1,0]=3 7411 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100009816954_200025704644 [0,2,0,0,0,0|0,1,0]=3 7412 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100009816954 [0,2,0,0,0,0|0,1,0]=3 7413 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 34a_100000044657_200025704644 [0,2,0,0,0,0|2,0,0]=4 7414 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 7a_100000044657_200025704644 [0,2,0,0,0,0|2,0,0]=4 7415 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [0,2,0,0,0,0|0,0,0]=2 7416 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [0,2,0,0,0,0|0,0,0]=2 7417 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C#N 62a_200000210301_100009861381 [0,2,0,0,0,0|2,0,0]=4 7418 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_100012179231_200000210301 [0,2,0,0,0,0|2,0,0]=4 7419 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_200000210301_100012179231 [0,2,0,0,0,0|2,0,0]=4 7420 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_100012355398_200000210301 [0,2,0,0,0,0|2,0,0]=4 7421 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_200000210301_100012355398 [0,2,0,0,0,0|2,0,0]=4 7422 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_100000189012_200000210301 [0,2,0,0,0,0|0,0,0]=2 7423 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100000189012 [0,2,0,0,0,0|0,0,0]=2 7424 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100009861381 [0,2,0,0,0,0|2,0,0]=4 7425 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_100012179231_200025704644 [0,2,0,0,0,0|2,0,0]=4 7426 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100012179231 [0,2,0,0,0,0|2,0,0]=4 7427 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_100012355398_200025704644 [0,2,0,0,0,0|2,0,0]=4 7428 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_200025704644_100012355398 [0,2,0,0,0,0|2,0,0]=4 7429 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100000189012_200025704644 [0,2,0,0,0,0|0,0,0]=2 7430 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100000189012 [0,2,0,0,0,0|0,0,0]=2 7431 B14R1.1864 COC(=O)c1ccc(c(n1)C#N)SC 62a_200000210301_100010187627 [0,2,0,0,0,0|1,1,0]=4 7432 B14R1.1864 COC(=O)c1ccc(c(n1)C#N)S[13CH3] 62a_200025704644_100010187627 [0,2,0,0,0,0|1,1,0]=4 7433 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_100010189641_200000210301 [0,2,0,0,0,0|1,1,0]=4 7434 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_200000210301_100010189641 [0,2,0,0,0,0|1,1,0]=4 7435 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_100010189641_200025704644 [0,2,0,0,0,0|1,1,0]=4 7436 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100010189641 [0,2,0,0,0,0|1,1,0]=4 7437 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_100010205418_200000210301 [0,2,0,0,0,0|1,0,0]=3 7438 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_200000210301_100010205418 [0,2,0,0,0,0|1,0,0]=3 7439 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_100010205418_200025704644 [0,2,0,0,0,0|1,0,0]=3 7440 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_200025704644_100010205418 [0,2,0,0,0,0|1,0,0]=3 7441 B14R1.1864 COC(=O)c1cnc(c(c1)OC)OC 34a_100009867281_200000210301 [0,2,0,0,0,0|1,0,0]=3 7442 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_100010136190_200000210301 [0,2,0,0,0,0|1,1,0]=4 7443 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_200000210301_100010074909 [0,2,0,0,0,0|1,1,0]=4 7444 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_100010136190_200025704644 [0,2,0,0,0,0|1,1,0]=4 7445 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_200025704644_100010074909 [0,2,0,0,0,0|1,1,0]=4 7446 B14R1.1864 COC(=O)c1cnc(c(c1)O[13CH3])OC 34a_100009867281_200025704644 [0,2,0,0,0,0|1,0,0]=3 7447 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_100010189640_200000210301 [0,2,0,0,0,0|1,0,0]=3 7448 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_200000210301_100010189640 [0,2,0,0,0,0|1,0,0]=3 7449 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_100010189640_200025704644 [0,2,0,0,0,0|1,0,0]=3 7450 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_200025704644_100010189640 [0,2,0,0,0,0|1,0,0]=3 7451 B14R1.1864 COc1cc(ccc1O[13CH3])C(=O)NN 34a_100000008232_200025704644 [0,2,0,0,0,0|2,0,0]=4 7452 B14R1.1864 COc1ccc(cc1C#N)C(=O)CF 1458a_100011999887_100015361967 [0,2,0,0,0,0|2,0,0]=4 7453 B14R1.1864 COc1ccc(cc1CO)C(=O)CBr 7a_100010262812_200000210301 [0,2,0,0,0,0|2,0,0]=4 7454 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [0,2,0,0,0,0|2,0,0]=4 7455 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_100000008232_200000210301 [0,2,0,0,0,0|2,0,0]=4 7456 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_200012634778_200000210301 [0,2,0,0,0,0|2,0,0]=4 7457 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 7458 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 7459 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 7460 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 7461 B14R1.1864 COc1ccc(cc1O[13CH3])C(=O)NN 34a_200012634778_200025704644 [0,2,0,0,0,0|2,0,0]=4 7462 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_100000186317_200000210301 [0,2,0,0,0,0|2,0,0]=4 7463 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_200000210301_100000186317 [0,2,0,0,0,0|2,0,0]=4 7464 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_100000186317_200025704644 [0,2,0,0,0,0|2,0,0]=4 7465 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000186317 [0,2,0,0,0,0|2,0,0]=4 7466 B14R1.1864 [13CH3]Oc1ccc(cc1CO)C(=O)CBr 7a_100010262812_200025704644 [0,2,0,0,0,0|2,0,0]=4 7467 B14R1.12512 C=Cc1c(cc(cc1Br)C(=O)OC)Cl 271570a_100011290941_100012361296 [0,2,0,0,0,0|1,0,1]=4 7468 B14R1.12512 C=Cc1c(cc(cc1C)C(=O)OC)C 271570a_100011290941_100010209423 [0,2,0,0,0,0|1,0,1]=4 7469 B14R1.12512 C=Cc1c(cc(cc1F)C(=O)OC)F 271570a_100011290941_200010155432 [0,2,0,0,0,0|1,0,1]=4 7470 B14R1.12512 C=Cc1c(cc(cc1O)C(=O)OC)O 271570a_100011290941_100010192586 [0,2,0,0,0,0|1,0,1]=4 7471 B14R1.12512 CCC(=O)c1cc(c(c(c1)Br)OC)Br 1458a_100012337705_100000210202 [0,2,0,0,0,0|1,0,0]=3 7472 B14R1.12512 CCC(=O)c1cc(c(c(c1)Br)OC)O 1458a_100010760816_100000210202 [0,2,0,0,0,0|1,0,0]=3 7473 B14R1.12512 CCC(=O)c1cc(c(c(c1)C)OC)C 1458a_100000696790_100000210202 [0,2,0,0,0,0|1,0,0]=3 7474 B14R1.12512 CCC(=O)c1cc(c(c(c1)Cl)OC)Cl 1458a_100000013545_100000210202 [0,2,0,0,0,0|1,0,0]=3 7475 B14R1.12512 CCC(=O)c1cc(c(c(c1)Cl)OC)F 1458a_100011356498_100000210202 [0,2,0,0,0,0|1,0,0]=3 7476 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)OC)F 1458a_100011216840_100000210202 [0,2,0,0,0,0|1,0,0]=3 7477 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)OC)F 34a_100011216017_200000210301 [0,2,0,0,0,0|1,0,0]=3 7478 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)OC)F 7a_100011216017_200000210301 [0,2,0,0,0,0|1,0,0]=3 7479 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)O[13CH3])F 34a_100011216017_200025704644 [0,2,0,0,0,0|1,0,0]=3 7480 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)O[13CH3])F 7a_100011216017_200025704644 [0,2,0,0,0,0|1,0,0]=3 7481 B14R1.12512 CCC(=O)c1cc(c(c(c1)I)OC)F 1458a_100012920440_100000210202 [0,2,0,0,0,0|1,0,0]=3 7482 B14R1.12512 CCC(=O)c1cc(c(c(c1)O)OC)O 1458a_100000073573_100000210202 [0,2,0,0,0,0|1,0,0]=3 7483 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)Br 11a_106832991635_100012337705 [0,2,0,0,0,0|1,0,0]=3 7484 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)Br 1626a_100102657272_100012337705 [0,2,0,0,0,0|1,0,0]=3 7485 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)Br 240690a_100102657272_100012337705 [0,2,0,0,0,0|1,0,0]=3 7486 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)Br 527a_100102657272_100012337705 [0,2,0,0,0,0|1,0,0]=3 7487 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)O 240690a_100102657272_100010760816 [0,2,0,0,0,0|1,0,0]=3 7488 B14R1.12512 CNC(=O)c1cc(c(c(c1)Br)OC)O 527a_100102657272_100010760816 [0,2,0,0,0,0|1,0,0]=3 7489 B14R1.12512 CNC(=O)c1cc(c(c(c1)C)OC)C 11a_106832991635_100000696790 [0,2,0,0,0,0|1,0,0]=3 7490 B14R1.12512 CNC(=O)c1cc(c(c(c1)C)OC)C 1626a_100102657272_100000696790 [0,2,0,0,0,0|1,0,0]=3 7491 B14R1.12512 CNC(=O)c1cc(c(c(c1)C)OC)C 240690a_100102657272_100000696790 [0,2,0,0,0,0|1,0,0]=3 7492 B14R1.12512 CNC(=O)c1cc(c(c(c1)C)OC)C 527a_100102657272_100000696790 [0,2,0,0,0,0|1,0,0]=3 7493 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)Cl 11a_106832991635_100000013545 [0,2,0,0,0,0|1,0,0]=3 7494 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)Cl 1626a_100102657272_100000013545 [0,2,0,0,0,0|1,0,0]=3 7495 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)Cl 240690a_100102657272_100000013545 [0,2,0,0,0,0|1,0,0]=3 7496 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)Cl 527a_100102657272_100000013545 [0,2,0,0,0,0|1,0,0]=3 7497 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)F 11a_106832991635_100011356498 [0,2,0,0,0,0|1,0,0]=3 7498 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)F 1626a_100102657272_100011356498 [0,2,0,0,0,0|1,0,0]=3 7499 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)F 240690a_100102657272_100011356498 [0,2,0,0,0,0|1,0,0]=3 7500 B14R1.12512 CNC(=O)c1cc(c(c(c1)Cl)OC)F 527a_100102657272_100011356498 [0,2,0,0,0,0|1,0,0]=3 7501 B14R1.12512 CNC(=O)c1cc(c(c(c1)F)OC)F 11a_106832991635_100011216840 [0,2,0,0,0,0|1,0,0]=3 7502 B14R1.12512 CNC(=O)c1cc(c(c(c1)F)OC)F 1626a_100102657272_100011216840 [0,2,0,0,0,0|1,0,0]=3 7503 B14R1.12512 CNC(=O)c1cc(c(c(c1)F)OC)F 240690a_100102657272_100011216840 [0,2,0,0,0,0|1,0,0]=3 7504 B14R1.12512 CNC(=O)c1cc(c(c(c1)F)OC)F 527a_100102657272_100011216840 [0,2,0,0,0,0|1,0,0]=3 7505 B14R1.12512 CNC(=O)c1cc(c(c(c1)I)OC)F 11a_106832991635_100012920440 [0,2,0,0,0,0|1,0,0]=3 7506 B14R1.12512 CNC(=O)c1cc(c(c(c1)I)OC)F 1626a_100102657272_100012920440 [0,2,0,0,0,0|1,0,0]=3 7507 B14R1.12512 CNC(=O)c1cc(c(c(c1)I)OC)F 240690a_100102657272_100012920440 [0,2,0,0,0,0|1,0,0]=3 7508 B14R1.12512 CNC(=O)c1cc(c(c(c1)I)OC)F 527a_100102657272_100012920440 [0,2,0,0,0,0|1,0,0]=3 7509 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Br 34a_100009813172_200000210301 [0,2,0,0,0,0|0,0,0]=2 7510 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Br 7a_100009813172_200000210301 [0,2,0,0,0,0|0,0,0]=2 7511 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Cl 34a_100010873366_200000210301 [0,2,0,0,0,0|0,0,0]=2 7512 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)Cl 7a_100010873366_200000210301 [0,2,0,0,0,0|0,0,0]=2 7513 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)N 34a_100010372079_200000210301 [0,2,0,0,0,0|0,0,0]=2 7514 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)OC)N 7a_100010372079_200000210301 [0,2,0,0,0,0|0,0,0]=2 7515 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 34a_100009813172_200025704644 [0,2,0,0,0,0|0,0,0]=2 7516 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 7a_100009813172_200025704644 [0,2,0,0,0,0|0,0,0]=2 7517 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Cl 34a_100010873366_200025704644 [0,2,0,0,0,0|0,0,0]=2 7518 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])Cl 7a_100010873366_200025704644 [0,2,0,0,0,0|0,0,0]=2 7519 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])N 34a_100010372079_200025704644 [0,2,0,0,0,0|0,0,0]=2 7520 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)O[13CH3])N 7a_100010372079_200025704644 [0,2,0,0,0,0|0,0,0]=2 7521 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)SC)Cl 62a_100012361296_200000210301 [0,2,0,0,0,0|0,1,0]=3 7522 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)SC)Cl 62a_200000210301_100012361296 [0,2,0,0,0,0|0,1,0]=3 7523 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)S[13CH3])Cl 62a_100012361296_200025704644 [0,2,0,0,0,0|0,1,0]=3 7524 B14R1.12512 COC(=O)c1cc(c(c(c1)Br)S[13CH3])Cl 62a_200025704644_100012361296 [0,2,0,0,0,0|0,1,0]=3 7525 B14R1.12512 COC(=O)c1cc(c(c(c1)C)SC)C 62a_100010209423_200000210301 [0,2,0,0,0,0|0,1,0]=3 7526 B14R1.12512 COC(=O)c1cc(c(c(c1)C)SC)C 62a_200000210301_100010209423 [0,2,0,0,0,0|0,1,0]=3 7527 B14R1.12512 COC(=O)c1cc(c(c(c1)C)S[13CH3])C 62a_100010209423_200025704644 [0,2,0,0,0,0|0,1,0]=3 7528 B14R1.12512 COC(=O)c1cc(c(c(c1)C)S[13CH3])C 62a_200025704644_100010209423 [0,2,0,0,0,0|0,1,0]=3 7529 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)Cl 34a_100000148585_200000210301 [0,2,0,0,0,0|0,0,0]=2 7530 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)Cl 7a_100000148585_200000210301 [0,2,0,0,0,0|0,0,0]=2 7531 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)N 34a_100010571316_200000210301 [0,2,0,0,0,0|0,0,0]=2 7532 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)OC)N 7a_100010571316_200000210301 [0,2,0,0,0,0|0,0,0]=2 7533 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 34a_100000148585_200025704644 [0,2,0,0,0,0|0,0,0]=2 7534 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 7a_100000148585_200025704644 [0,2,0,0,0,0|0,0,0]=2 7535 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])N 34a_100010571316_200025704644 [0,2,0,0,0,0|0,0,0]=2 7536 B14R1.12512 COC(=O)c1cc(c(c(c1)Cl)O[13CH3])N 7a_100010571316_200025704644 [0,2,0,0,0,0|0,0,0]=2 7537 B14R1.12512 COC(=O)c1cc(c(c(c1)F)OC)F 34a_100009871777_200000210301 [0,2,0,0,0,0|0,0,0]=2 7538 B14R1.12512 COC(=O)c1cc(c(c(c1)F)OC)F 7a_100009871777_200000210301 [0,2,0,0,0,0|0,0,0]=2 7539 B14R1.12512 COC(=O)c1cc(c(c(c1)F)O[13CH3])F 34a_100009871777_200025704644 [0,2,0,0,0,0|0,0,0]=2 7540 B14R1.12512 COC(=O)c1cc(c(c(c1)F)O[13CH3])F 7a_100009871777_200025704644 [0,2,0,0,0,0|0,0,0]=2 7541 B14R1.12512 COC(=O)c1cc(c(c(c1)F)SC)F 62a_200000210301_200010155432 [0,2,0,0,0,0|0,1,0]=3 7542 B14R1.12512 COC(=O)c1cc(c(c(c1)F)SC)F 62a_200010155432_200000210301 [0,2,0,0,0,0|0,1,0]=3 7543 B14R1.12512 COC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_200010155432_200025704644 [0,2,0,0,0,0|0,1,0]=3 7544 B14R1.12512 COC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_200010155432 [0,2,0,0,0,0|0,1,0]=3 7545 B14R1.12512 COC(=O)c1cc(c(c(c1)I)OC)Cl 34a_100135280131_200000210301 [0,2,0,0,0,0|0,0,0]=2 7546 B14R1.12512 COC(=O)c1cc(c(c(c1)I)OC)Cl 7a_100135280131_200000210301 [0,2,0,0,0,0|0,0,0]=2 7547 B14R1.12512 COC(=O)c1cc(c(c(c1)I)OC)I 7a_100010007818_200000210301 [0,2,0,0,0,0|0,0,0]=2 7548 B14R1.12512 COC(=O)c1cc(c(c(c1)I)O[13CH3])Cl 34a_100135280131_200025704644 [0,2,0,0,0,0|0,0,0]=2 7549 B14R1.12512 COC(=O)c1cc(c(c(c1)I)O[13CH3])Cl 7a_100135280131_200025704644 [0,2,0,0,0,0|0,0,0]=2 7550 B14R1.12512 COC(=O)c1cc(c(c(c1)I)O[13CH3])I 7a_100010007818_200025704644 [0,2,0,0,0,0|0,0,0]=2 7551 B14R1.12512 COC(=O)c1cc(c(c(c1)O)SC)O 62a_200000210301_100010192586 [0,2,0,0,0,0|0,1,0]=3 7552 B14R1.12512 COC(=O)c1cc(c(c(c1)O)S[13CH3])O 62a_200025704644_100010192586 [0,2,0,0,0,0|0,1,0]=3 7553 B14R1.12512 COc1c(cc(cc1Br)C(=O)CF)Br 1458a_100012337705_100015361967 [0,2,0,0,0,0|2,0,0]=4 7554 B14R1.12512 COc1c(cc(cc1Br)C(=O)CF)O 1458a_100010760816_100015361967 [0,2,0,0,0,0|2,0,0]=4 7555 B14R1.12512 COc1c(cc(cc1C)C(=O)CF)C 1458a_100000696790_100015361967 [0,2,0,0,0,0|2,0,0]=4 7556 B14R1.12512 COc1c(cc(cc1Cl)C(=O)CF)Cl 1458a_100000013545_100015361967 [0,2,0,0,0,0|2,0,0]=4 7557 B14R1.12512 COc1c(cc(cc1Cl)C(=O)CF)F 1458a_100011356498_100015361967 [0,2,0,0,0,0|2,0,0]=4 7558 B14R1.12512 COc1c(cc(cc1Cl)C(=O)NN)Cl 34a_200000066839_200000210301 [0,2,0,0,0,0|2,0,0]=4 7559 B14R1.12512 COc1c(cc(cc1F)C(=O)CF)F 1458a_100011216840_100015361967 [0,2,0,0,0,0|2,0,0]=4 7560 B14R1.12512 COc1c(cc(cc1I)C(=O)CF)F 1458a_100012920440_100015361967 [0,2,0,0,0,0|2,0,0]=4 7561 B14R1.12512 COc1c(cc(cc1O)C(=O)CF)O 1458a_100000073573_100015361967 [0,2,0,0,0,0|2,0,0]=4 7562 B14R1.12512 [13CH3]Oc1c(cc(cc1Cl)C(=O)NN)Cl 34a_200000066839_200025704644 [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,0,1,1,0,0|2,0,0]=4 7564 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [0,0,1,1,0,0|2,0,0]=4 7565 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,0,1,1,0,0|2,0,0]=4 7566 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,0,1,1,0,0|1,0,0]=3 7567 B12R1.78 C=Cc1ccc(nc1OC)OC 271570a_100011290941_100009816055 [0,0,1,1,0,0|1,0,0]=3 7568 B12R1.78 C=Cc1cnc(cc1OC)OC 271570a_100011290941_100010191559 [0,0,1,1,0,0|2,0,0]=4 7569 B12R1.78 C=Cc1cnc(nc1OC)OC 271570a_100011290941_100011215025 [0,0,1,1,0,0|2,0,0]=4 7570 B12R1.653 C=Cc1ccc(c(c1C)C)OC 271570a_100011290941_100000049725 [0,0,1,1,0,0|2,0,0]=4 7571 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [1,0,0,1,0,0|1,0,1]=4 7572 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [1,0,0,1,0,0|1,0,1]=4 7573 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [1,0,0,1,0,0|1,0,1]=4 7574 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [1,0,0,1,0,0|1,0,1]=4 7575 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [1,0,0,1,0,0|1,0,1]=4 7576 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [1,0,0,1,0,0|2,0,0]=4 7577 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [1,0,0,1,0,0|1,0,0]=3 7578 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [1,0,0,1,0,0|1,0,0]=3 7579 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [1,0,0,1,0,0|1,0,1]=4 7580 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [1,0,0,1,0,0|1,0,0]=3 7581 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [1,0,0,1,0,0|2,0,0]=4 7582 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [1,0,0,1,0,0|1,0,0]=3 7583 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [1,0,0,1,0,0|2,0,0]=4 7584 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [1,0,0,1,0,0|0,0,0]=2 7585 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [1,0,0,1,0,0|2,0,0]=4 7586 B12R2.44 CNc1ccc2c(c1)COC2 2230a_100011728444_200000210301 [1,0,0,1,0,0|1,0,1]=4 7587 B12R2.44 CNc1ccc2c(c1)COC2 34a_100011728444_200000210301 [1,0,0,1,0,0|1,0,1]=4 7588 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [1,0,0,1,0,0|1,0,1]=4 7589 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [1,0,0,1,0,0|1,0,1]=4 7590 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [1,0,0,1,0,0|2,0,0]=4 7591 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [1,0,0,1,0,0|1,0,1]=4 7592 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,0,0,1,0,0|2,0,0]=4 7593 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,0,0,1,0,0|2,0,0]=4 7594 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,0,0,1,0,0|2,0,0]=4 7595 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [1,0,0,1,0,0|2,0,0]=4 7596 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [1,0,0,1,0,0|2,0,0]=4 7597 B12R2.44 COc1ccc2nonc2c1 34a_100000036933_200000210301 [1,0,0,1,0,0|2,0,0]=4 7598 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [1,0,0,1,0,0|1,1,0]=4 7599 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [1,0,0,1,0,0|1,1,0]=4 7600 B12R2.44 CSc1ccc2c(c1)COC2 62a_100000698232_200000210301 [1,0,0,1,0,0|0,1,1]=4 7601 B12R2.44 CSc1ccc2c(c1)COC2 62a_200000210301_100000698232 [1,0,0,1,0,0|0,1,1]=4 7602 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 2230a_100011728444_200025704644 [1,0,0,1,0,0|1,0,1]=4 7603 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 34a_100011728444_200025704644 [1,0,0,1,0,0|1,0,1]=4 7604 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [1,0,0,1,0,0|1,0,1]=4 7605 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [1,0,0,1,0,0|1,0,1]=4 7606 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [1,0,0,1,0,0|2,0,0]=4 7607 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [1,0,0,1,0,0|1,0,1]=4 7608 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,0,0,1,0,0|2,0,0]=4 7609 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,0,0,1,0,0|2,0,0]=4 7610 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,0,0,1,0,0|2,0,0]=4 7611 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [1,0,0,1,0,0|2,0,0]=4 7612 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [1,0,0,1,0,0|2,0,0]=4 7613 B12R2.44 [13CH3]Oc1ccc2nonc2c1 34a_100000036933_200025704644 [1,0,0,1,0,0|2,0,0]=4 7614 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [1,0,0,1,0,0|1,1,0]=4 7615 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [1,0,0,1,0,0|1,1,0]=4 7616 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_100000698232_200025704644 [1,0,0,1,0,0|0,1,1]=4 7617 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_200025704644_100000698232 [1,0,0,1,0,0|0,1,1]=4 7618 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [1,0,0,1,0,0|2,0,0]=4 7619 B12R2.143 COCc1ccc2c(c1)CC2 34a_100010733339_200000210301 [1,0,0,1,0,0|1,0,1]=4 7620 B12R2.143 COCc1ccc2c(c1)CC2 7a_100010733339_200000210301 [1,0,0,1,0,0|1,0,1]=4 7621 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 34a_100010733339_200025704644 [1,0,0,1,0,0|1,0,1]=4 7622 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 7a_100010733339_200025704644 [1,0,0,1,0,0|1,0,1]=4 7623 B14R2.2332 C=Cc1ccc2c(c1)COC(=O)N2 271570a_100011290941_100010219366 [0,0,0,1,0,1|1,0,1]=4 7624 B14R2.2332 CNc1ccc2c(c1)CCC(=O)N2 34a_100000738032_200000210301 [0,0,0,1,0,1|2,0,0]=4 7625 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200000210301 [0,0,0,1,0,1|1,0,0]=3 7626 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200000210301 [0,0,0,1,0,1|1,0,0]=3 7627 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200000210301 [0,0,0,1,0,1|1,0,0]=3 7628 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [0,0,0,1,0,1|1,0,1]=4 7629 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [0,0,0,1,0,1|1,0,1]=4 7630 B14R2.2332 CSc1ccc2c(c1)CCC(=O)C2 62a_100000753102_200000210301 [0,0,0,1,0,1|1,1,0]=4 7631 B14R2.2332 CSc1ccc2c(c1)CCC(=O)C2 62a_200000210301_100000753102 [0,0,0,1,0,1|1,1,0]=4 7632 B14R2.2332 CSc1ccc2c(c1)CCC(=O)N2 62a_100000754843_200000210301 [0,0,0,1,0,1|1,1,0]=4 7633 B14R2.2332 CSc1ccc2c(c1)CCC(=O)N2 62a_200000210301_100000754843 [0,0,0,1,0,1|1,1,0]=4 7634 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200000210301 [0,0,0,1,0,1|1,1,0]=4 7635 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_200000210301_100010179853 [0,0,0,1,0,1|1,1,0]=4 7636 B14R2.2332 CSc1ccc2c(c1)CNC(=O)C2 62a_100010174877_200000210301 [0,0,0,1,0,1|1,1,0]=4 7637 B14R2.2332 CSc1ccc2c(c1)CNC(=O)N2 62a_200000210301_100010171468 [0,0,0,1,0,1|1,1,0]=4 7638 B14R2.2332 [13CH3]Nc1ccc2c(c1)CCC(=O)N2 34a_100000738032_200025704644 [0,0,0,1,0,1|2,0,0]=4 7639 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200025704644 [0,0,0,1,0,1|1,0,0]=3 7640 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200025704644 [0,0,0,1,0,1|1,0,0]=3 7641 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200025704644 [0,0,0,1,0,1|1,0,0]=3 7642 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [0,0,0,1,0,1|1,0,1]=4 7643 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [0,0,0,1,0,1|1,0,1]=4 7644 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)C2 62a_100000753102_200025704644 [0,0,0,1,0,1|1,1,0]=4 7645 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)C2 62a_200025704644_100000753102 [0,0,0,1,0,1|1,1,0]=4 7646 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)N2 62a_100000754843_200025704644 [0,0,0,1,0,1|1,1,0]=4 7647 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)N2 62a_200025704644_100000754843 [0,0,0,1,0,1|1,1,0]=4 7648 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200025704644 [0,0,0,1,0,1|1,1,0]=4 7649 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_200025704644_100010179853 [0,0,0,1,0,1|1,1,0]=4 7650 B14R2.2332 [13CH3]Sc1ccc2c(c1)CNC(=O)C2 62a_100010174877_200025704644 [0,0,0,1,0,1|1,1,0]=4 7651 B14R2.2332 [13CH3]Sc1ccc2c(c1)CNC(=O)N2 62a_200025704644_100010171468 [0,0,0,1,0,1|1,1,0]=4 7652 B14R2.3274 CC1C(=O)Nc2c1cc(cc2)S[13CH3] 62a_200025704644_100010251565 [0,0,0,1,0,1|1,1,0]=4 7653 B14R2.3274 CN1C(=O)Cc2c1cc(cc2)S[13CH3] 62a_200025704644_100010285470 [0,0,0,1,0,1|1,1,0]=4 7654 B14R2.3274 CSc1ccc2c(c1)C(C(=O)N2)C 62a_200000210301_100010251565 [0,0,0,1,0,1|1,1,0]=4 7655 B14R2.3274 CSc1ccc2c(c1)N(C(=O)C2)C 62a_200000210301_100010285470 [0,0,0,1,0,1|1,1,0]=4 7656 B14R2.3304 CNc1nc2ccc(cc2s1)OC 27a_100102657272_100010195960 [0,0,0,1,0,1|1,1,0]=4 7657 B14R2.3304 COc1ccc2nc(sc2c1)SC 62a_200000210301_100010195960 [0,0,0,1,0,1|0,2,0]=4 7658 B14R2.3304 COc1ccc2nc(sc2c1)SC 7a_100009853011_200000210301 [0,0,0,1,0,1|0,2,0]=4 7659 B14R2.3304 COc1ccc2nc(sc2c1)S[13CH3] 62a_200025704644_100010195960 [0,0,0,1,0,1|0,2,0]=4 7660 B14R2.3304 CSc1nc2ccc(cc2s1)O[13CH3] 7a_100009853011_200025704644 [0,0,0,1,0,1|0,2,0]=4 7661 B14R2.329 C=C(c1ccc(cc1)OC)C2CC2 271570a_100010895485_100000171711 [0,1,0,1,0,0|2,0,0]=4 7662 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 34a_100011997326_200000210301 [0,1,0,1,0,0|1,0,0]=3 7663 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 7a_100011997326_200000210301 [0,1,0,1,0,0|1,0,0]=3 7664 B14R2.329 CSc1ccc(cc1)C(=O)C2CC2 62a_100000764646_200000210301 [0,1,0,1,0,0|1,1,0]=4 7665 B14R2.329 CSc1ccc(cc1)C(=O)C2CC2 62a_200000210301_100000764646 [0,1,0,1,0,0|1,1,0]=4 7666 B14R2.329 [13CH3]Oc1ccc(cc1)C(=O)C2CC2 34a_100011997326_200025704644 [0,1,0,1,0,0|1,0,0]=3 7667 B14R2.329 [13CH3]Oc1ccc(cc1)C(=O)C2CC2 7a_100011997326_200025704644 [0,1,0,1,0,0|1,0,0]=3 7668 B14R2.329 [13CH3]Sc1ccc(cc1)C(=O)C2CC2 62a_100000764646_200025704644 [0,1,0,1,0,0|1,1,0]=4 7669 B14R2.329 [13CH3]Sc1ccc(cc1)C(=O)C2CC2 62a_200025704644_100000764646 [0,1,0,1,0,0|1,1,0]=4 7670 B14R2.1815 CC1Cc2cc(ccc2C1=O)S[13CH3] 62a_100010169280_200025704644 [0,1,0,1,0,0|1,1,0]=4 7671 B14R2.1815 CC1Cc2cc(ccc2C1=O)S[13CH3] 62a_200025704644_100010169280 [0,1,0,1,0,0|1,1,0]=4 7672 B14R2.1815 CN1Cc2cc(ccc2C1=O)N[13CH3] 34a_100000733389_200025704644 [0,1,0,1,0,0|2,0,0]=4 7673 B14R2.1815 CN1Cc2cc(ccc2C1=O)S[13CH3] 62a_100010161043_200025704644 [0,1,0,1,0,0|1,1,0]=4 7674 B14R2.1815 CNc1ccc2c(c1)CC(C2=O)C 27a_100102657272_100010169280 [0,1,0,1,0,0|2,0,0]=4 7675 B14R2.1815 CNc1ccc2c(c1)CN(C2=O)C 34a_100000733389_200000210301 [0,1,0,1,0,0|2,0,0]=4 7676 B14R2.1815 CSc1ccc2c(c1)CC(C2=O)C 62a_100010169280_200000210301 [0,1,0,1,0,0|1,1,0]=4 7677 B14R2.1815 CSc1ccc2c(c1)CC(C2=O)C 62a_200000210301_100010169280 [0,1,0,1,0,0|1,1,0]=4 7678 B14R2.1815 CSc1ccc2c(c1)CN(C2=O)C 62a_100010161043_200000210301 [0,1,0,1,0,0|1,1,0]=4 7679 B14R2.15123 CC(C)C(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210206 [0,1,0,1,0,0|2,0,0]=4 7680 B14R2.15123 CN(C)C(=O)c1ccc2c(c1)CC2 11a_100102631434_100000137882 [0,1,0,1,0,0|2,0,0]=4 7681 B14R2.15123 CN(C)C(=O)c1ccc2c(c1)CC2 1626a_100102631434_100000137882 [0,1,0,1,0,0|2,0,0]=4 7682 B14R2.15123 CN(C)C(=O)c1ccc2c(c1)CC2 240690a_100102631434_100000137882 [0,1,0,1,0,0|2,0,0]=4 7683 B14R2.15123 CN(C)C(=O)c1ccc2c(c1)CC2 527a_100102631434_100000137882 [0,1,0,1,0,0|2,0,0]=4 7684 B14R2.1 CCc1ccc(cc1)C2=CCOC2 271570a_100009872500_100011215824 [0,1,0,1,0,0|2,0,0]=4 7685 B14R2.1 CCc1ccc(cc1)C2=COCC2 271570a_100000118173_100011215824 [0,1,0,1,0,0|2,0,0]=4 7686 B14R2.1 CNc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000219623 [0,1,0,1,0,0|2,0,0]=4 7687 B14R2.1 CNc1ccc(cc1)C2=COCC2 271570a_100000118173_100000219623 [0,1,0,1,0,0|2,0,0]=4 7688 B14R2.1 COc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000171711 [0,1,0,1,0,0|2,0,0]=4 7689 B14R2.1 COc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000171711 [0,1,0,1,0,0|1,0,0]=3 7690 B14R2.1 COc1ccc(cc1)C2=COCC2 271570a_100000118173_100000171711 [0,1,0,1,0,0|1,0,0]=3 7691 B14R2.1 COc1ccc(cc1)c2ccco2 271570a_100000750936_100000171711 [0,1,0,1,0,0|1,0,1]=4 7692 B14R2.1 COc1ccc(cc1)c2ccco2 271570a_100000754496_100009814098 [0,1,0,1,0,0|1,0,1]=4 7693 B14R2.1 COc1ccc(cc1)c2ccoc2 271570a_100000754496_100011215275 [0,1,0,1,0,0|1,0,1]=4 7694 B14R2.1 COc1ccc(cc1)c2ccoc2 271570a_100011218838_100000171711 [0,1,0,1,0,0|1,0,1]=4 7695 B14R2.1 COc1ccc(cc1)c2cnco2 271570a_100000754496_100020591547 [0,1,0,1,0,0|1,0,1]=4 7696 B14R2.1 COc1ccc(cc1)c2cnco2 34a_100000048733_200000210301 [0,1,0,1,0,0|1,0,1]=4 7697 B14R2.1 COc1ccc(cc1)c2cnco2 7a_100000048733_200000210301 [0,1,0,1,0,0|1,0,1]=4 7698 B14R2.1 COc1ccc(cc1)c2cnoc2 271570a_100000754496_100009815712 [0,1,0,1,0,0|2,0,0]=4 7699 B14R2.1 COc1ccc(cc1)c2ncco2 271570a_100000754496_100011787736 [0,1,0,1,0,0|1,0,1]=4 7700 B14R2.1 COc1ccc(cc1)c2nnco2 34a_100000010586_200000210301 [0,1,0,1,0,0|1,0,1]=4 7701 B14R2.1 COc1ccc(cc1)c2nnco2 7a_100000010586_200000210301 [0,1,0,1,0,0|1,0,1]=4 7702 B14R2.1 COc1ccc(cn1)C2=CCOC2 271570a_100009872500_100000047065 [0,1,0,1,0,0|2,0,0]=4 7703 B14R2.1 COc1ccc(cn1)C2=COCC2 271570a_100000118173_100000047065 [0,1,0,1,0,0|2,0,0]=4 7704 B14R2.1 COc1ccc(nc1)C2=CCOC2 271570a_100009872500_100000755202 [0,1,0,1,0,0|2,0,0]=4 7705 B14R2.1 COc1ccc(nc1)C2=COCC2 271570a_100000118173_100000755202 [0,1,0,1,0,0|2,0,0]=4 7706 B14R2.1 CSc1ccc(cc1)C2=CCOC2 271570a_100009872500_100011263217 [0,1,0,1,0,0|1,1,0]=4 7707 B14R2.1 CSc1ccc(cc1)C2=COCC2 271570a_100000118173_100011263217 [0,1,0,1,0,0|1,1,0]=4 7708 B14R2.1 CSc1ccc(cc1)C2=NCCO2 62a_200000210301_100009812740 [0,1,0,1,0,0|1,1,0]=4 7709 B14R2.1 CSc1ccc(cc1)C2=NOCC2 62a_100010889492_200000210301 [0,1,0,1,0,0|1,1,0]=4 7710 B14R2.1 CSc1ccc(cc1)C2=NOCC2 62a_200000210301_100010889492 [0,1,0,1,0,0|1,1,0]=4 7711 B14R2.1 [13CH3]Oc1ccc(cc1)c2cnco2 34a_100000048733_200025704644 [0,1,0,1,0,0|1,0,1]=4 7712 B14R2.1 [13CH3]Oc1ccc(cc1)c2cnco2 7a_100000048733_200025704644 [0,1,0,1,0,0|1,0,1]=4 7713 B14R2.1 [13CH3]Oc1ccc(cc1)c2nnco2 34a_100000010586_200025704644 [0,1,0,1,0,0|1,0,1]=4 7714 B14R2.1 [13CH3]Oc1ccc(cc1)c2nnco2 7a_100000010586_200025704644 [0,1,0,1,0,0|1,0,1]=4 7715 B14R2.1 [13CH3]Sc1ccc(cc1)C2=NCCO2 62a_200025704644_100009812740 [0,1,0,1,0,0|1,1,0]=4 7716 B14R2.1 [13CH3]Sc1ccc(cc1)C2=NOCC2 62a_100010889492_200025704644 [0,1,0,1,0,0|1,1,0]=4 7717 B14R2.1 [13CH3]Sc1ccc(cc1)C2=NOCC2 62a_200025704644_100010889492 [0,1,0,1,0,0|1,1,0]=4 7718 B14R2.152 COc1ccc2c(n[nH]c2c1)SC 62a_200000210301_100000049672 [0,1,0,1,0,0|1,1,0]=4 7719 B14R2.152 COc1ccc2c(n[nH]c2c1)S[13CH3] 62a_200025704644_100000049672 [0,1,0,1,0,0|1,1,0]=4 7720 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [0,1,0,1,0,0|1,0,1]=4 7721 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [0,1,0,1,0,0|1,0,1]=4 7722 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [0,1,0,1,0,0|1,0,1]=4 7723 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [0,1,0,1,0,0|1,0,1]=4 7724 B14R2.1801 COc1ccc2c(c1)CCCC2=O 7a_100000746981_200000210301 [0,1,0,1,0,0|1,0,0]=3 7725 B14R2.1801 COc1ccc2c(c1)CCNC2=O 34a_100000087030_200000210301 [0,1,0,1,0,0|1,0,0]=3 7726 B14R2.1801 COc1ccc2c(c1)CCNC2=O 7a_100000087030_200000210301 [0,1,0,1,0,0|1,0,0]=3 7727 B14R2.1801 COc1ccc2c(c1)OCCC2=O 34a_100000089553_200000210301 [0,1,0,1,0,0|1,0,0]=3 7728 B14R2.1801 COc1ccc2c(c1)OCCC2=O 7a_100000089553_200000210301 [0,1,0,1,0,0|1,0,0]=3 7729 B14R2.1801 CSc1ccc2c(c1)CCCC2=O 62a_100000688402_200000210301 [0,1,0,1,0,0|1,1,0]=4 7730 B14R2.1801 CSc1ccc2c(c1)CCCC2=O 62a_200000210301_100000688402 [0,1,0,1,0,0|1,1,0]=4 7731 B14R2.1801 CSc1ccc2c(c1)CCNC2=O 62a_100009817313_200000210301 [0,1,0,1,0,0|1,1,0]=4 7732 B14R2.1801 CSc1ccc2c(c1)CCNC2=O 62a_200000210301_100009817313 [0,1,0,1,0,0|1,1,0]=4 7733 B14R2.1801 CSc1ccc2c(c1)NCCC2=O 62a_100010157303_200000210301 [0,1,0,1,0,0|1,1,0]=4 7734 B14R2.1801 CSc1ccc2c(c1)NCCC2=O 62a_200000210301_100010157303 [0,1,0,1,0,0|1,1,0]=4 7735 B14R2.1801 CSc1ccc2c(c1)OCCC2=O 62a_100000696939_200000210301 [0,1,0,1,0,0|1,1,0]=4 7736 B14R2.1801 CSc1ccc2c(c1)OCCC2=O 62a_200000210301_100000696939 [0,1,0,1,0,0|1,1,0]=4 7737 B14R2.1801 CSc1ccc2c(c1)SCCC2=O 62a_100010688399_200000210301 [0,1,0,1,0,0|1,1,0]=4 7738 B14R2.1801 CSc1ccc2c(c1)SCCC2=O 62a_200000210301_100010688399 [0,1,0,1,0,0|1,1,0]=4 7739 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [0,1,0,1,0,0|1,0,1]=4 7740 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [0,1,0,1,0,0|1,0,1]=4 7741 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [0,1,0,1,0,0|1,0,1]=4 7742 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [0,1,0,1,0,0|1,0,1]=4 7743 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCCC2=O 7a_100000746981_200025704644 [0,1,0,1,0,0|1,0,0]=3 7744 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 34a_100000087030_200025704644 [0,1,0,1,0,0|1,0,0]=3 7745 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 7a_100000087030_200025704644 [0,1,0,1,0,0|1,0,0]=3 7746 B14R2.1801 [13CH3]Oc1ccc2c(c1)OCCC2=O 34a_100000089553_200025704644 [0,1,0,1,0,0|1,0,0]=3 7747 B14R2.1801 [13CH3]Oc1ccc2c(c1)OCCC2=O 7a_100000089553_200025704644 [0,1,0,1,0,0|1,0,0]=3 7748 B14R2.1801 [13CH3]Sc1ccc2c(c1)CCCC2=O 62a_100000688402_200025704644 [0,1,0,1,0,0|1,1,0]=4 7749 B14R2.1801 [13CH3]Sc1ccc2c(c1)CCCC2=O 62a_200025704644_100000688402 [0,1,0,1,0,0|1,1,0]=4 7750 B14R2.1801 [13CH3]Sc1ccc2c(c1)CCNC2=O 62a_100009817313_200025704644 [0,1,0,1,0,0|1,1,0]=4 7751 B14R2.1801 [13CH3]Sc1ccc2c(c1)CCNC2=O 62a_200025704644_100009817313 [0,1,0,1,0,0|1,1,0]=4 7752 B14R2.1801 [13CH3]Sc1ccc2c(c1)NCCC2=O 62a_100010157303_200025704644 [0,1,0,1,0,0|1,1,0]=4 7753 B14R2.1801 [13CH3]Sc1ccc2c(c1)NCCC2=O 62a_200025704644_100010157303 [0,1,0,1,0,0|1,1,0]=4 7754 B14R2.1801 [13CH3]Sc1ccc2c(c1)OCCC2=O 62a_100000696939_200025704644 [0,1,0,1,0,0|1,1,0]=4 7755 B14R2.1801 [13CH3]Sc1ccc2c(c1)OCCC2=O 62a_200025704644_100000696939 [0,1,0,1,0,0|1,1,0]=4 7756 B14R2.1801 [13CH3]Sc1ccc2c(c1)SCCC2=O 62a_100010688399_200025704644 [0,1,0,1,0,0|1,1,0]=4 7757 B14R2.1801 [13CH3]Sc1ccc2c(c1)SCCC2=O 62a_200025704644_100010688399 [0,1,0,1,0,0|1,1,0]=4 7758 B14R2.36882 CNc1cc(c2c(c1)CCC2=O)F 27a_100102657272_100010125705 [0,1,0,1,0,0|2,0,0]=4 7759 B14R2.36882 CNc1cc(c2c(c1)CNC2=O)F 27a_100102657272_100010161078 [0,1,0,1,0,0|2,0,0]=4 7760 B14R2.36882 COc1cc(c2c(c1)CCC2=O)Br 34a_200010214548_200000210301 [0,1,0,1,0,0|1,0,0]=3 7761 B14R2.36882 COc1cc(c2c(c1)CCC2=O)Br 7a_200010214548_200000210301 [0,1,0,1,0,0|1,0,0]=3 7762 B14R2.36882 COc1cc(c2c(c1)OCC2=O)C 34a_100000045570_200000210301 [0,1,0,1,0,0|2,0,0]=4 7763 B14R2.36882 COc1cc(c2c(c1)OCC2=O)C 7a_100000045570_200000210301 [0,1,0,1,0,0|2,0,0]=4 7764 B14R2.36882 CSc1cc(c2c(c1)CCC2=O)C 62a_100000721622_200000210301 [0,1,0,1,0,0|1,1,0]=4 7765 B14R2.36882 CSc1cc(c2c(c1)CCC2=O)C 62a_200000210301_100000721622 [0,1,0,1,0,0|1,1,0]=4 7766 B14R2.36882 CSc1cc(c2c(c1)CCC2=O)F 62a_100010125705_200000210301 [0,1,0,1,0,0|1,1,0]=4 7767 B14R2.36882 CSc1cc(c2c(c1)CCC2=O)F 62a_200000210301_100010125705 [0,1,0,1,0,0|1,1,0]=4 7768 B14R2.36882 CSc1cc(c2c(c1)CNC2=O)C 62a_200000210301_200010764723 [0,1,0,1,0,0|1,1,0]=4 7769 B14R2.36882 CSc1cc(c2c(c1)CNC2=O)C 62a_200010764723_200000210301 [0,1,0,1,0,0|1,1,0]=4 7770 B14R2.36882 CSc1cc(c2c(c1)CNC2=O)F 62a_100010161078_200000210301 [0,1,0,1,0,0|1,1,0]=4 7771 B14R2.36882 CSc1cc(c2c(c1)CNC2=O)F 62a_200000210301_100010161078 [0,1,0,1,0,0|1,1,0]=4 7772 B14R2.36882 Cc1cc(cc2c1C(=O)CC2)S[13CH3] 62a_100000721622_200025704644 [0,1,0,1,0,0|1,1,0]=4 7773 B14R2.36882 Cc1cc(cc2c1C(=O)CC2)S[13CH3] 62a_200025704644_100000721622 [0,1,0,1,0,0|1,1,0]=4 7774 B14R2.36882 Cc1cc(cc2c1C(=O)CO2)O[13CH3] 34a_100000045570_200025704644 [0,1,0,1,0,0|2,0,0]=4 7775 B14R2.36882 Cc1cc(cc2c1C(=O)CO2)O[13CH3] 7a_100000045570_200025704644 [0,1,0,1,0,0|2,0,0]=4 7776 B14R2.36882 Cc1cc(cc2c1C(=O)NC2)S[13CH3] 62a_200010764723_200025704644 [0,1,0,1,0,0|1,1,0]=4 7777 B14R2.36882 Cc1cc(cc2c1C(=O)NC2)S[13CH3] 62a_200025704644_200010764723 [0,1,0,1,0,0|1,1,0]=4 7778 B14R2.36882 [13CH3]Oc1cc(c2c(c1)CCC2=O)Br 34a_200010214548_200025704644 [0,1,0,1,0,0|1,0,0]=3 7779 B14R2.36882 [13CH3]Oc1cc(c2c(c1)CCC2=O)Br 7a_200010214548_200025704644 [0,1,0,1,0,0|1,0,0]=3 7780 B14R2.36882 [13CH3]Sc1cc(c2c(c1)CCC2=O)F 62a_100010125705_200025704644 [0,1,0,1,0,0|1,1,0]=4 7781 B14R2.36882 [13CH3]Sc1cc(c2c(c1)CCC2=O)F 62a_200025704644_100010125705 [0,1,0,1,0,0|1,1,0]=4 7782 B14R2.36882 [13CH3]Sc1cc(c2c(c1)CNC2=O)F 62a_100010161078_200025704644 [0,1,0,1,0,0|1,1,0]=4 7783 B14R2.36882 [13CH3]Sc1cc(c2c(c1)CNC2=O)F 62a_200025704644_100010161078 [0,1,0,1,0,0|1,1,0]=4 7784 B14R2.964 CCC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_100000210202 [0,1,0,1,0,0|2,0,0]=4 7785 B14R2.964 CCC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000211647 [0,1,0,1,0,0|2,0,0]=4 7786 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 11a_106832991635_100011688853 [0,1,0,1,0,0|2,0,0]=4 7787 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 1626a_100102657272_100011688853 [0,1,0,1,0,0|2,0,0]=4 7788 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 240690a_100102657272_100011688853 [0,1,0,1,0,0|2,0,0]=4 7789 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000155074 [0,1,0,1,0,0|2,0,0]=4 7790 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 527a_100102657272_100011688853 [0,1,0,1,0,0|2,0,0]=4 7791 B14R2.964 COC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000150774 [0,1,0,1,0,0|1,0,0]=3 7792 B14R2.964 COC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100000690920 [0,1,0,1,0,0|2,0,0]=4 7793 B14R2.964 COC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000733799 [0,1,0,1,0,0|2,0,0]=4 7794 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 34a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 7795 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 7a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 7796 B14R2.966 CCC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_100000210202 [0,1,0,1,0,0|2,0,0]=4 7797 B14R2.966 CCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210202 [0,1,0,1,0,0|1,0,0]=3 7798 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210202 [0,1,0,1,0,0|1,0,0]=3 7799 B14R2.966 CCC(=O)c1ccc2nonc2c1 1458a_100000031939_100000210202 [0,1,0,1,0,0|2,0,0]=4 7800 B14R2.966 CCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210202 [0,1,0,1,0,0|1,0,1]=4 7801 B14R2.966 CCC(=O)c1ccc2ocnc2c1 1458a_100000238527_100000210202 [0,1,0,1,0,0|1,0,1]=4 7802 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 11a_106832991635_100000195560 [0,1,0,1,0,0|2,0,0]=4 7803 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 1626a_100102657272_100000195560 [0,1,0,1,0,0|2,0,0]=4 7804 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 240690a_100102657272_100000195560 [0,1,0,1,0,0|2,0,0]=4 7805 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 527a_100102657272_100000195560 [0,1,0,1,0,0|2,0,0]=4 7806 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 11a_106832991635_100011207309 [0,1,0,1,0,0|1,0,0]=3 7807 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 1626a_100102657272_100011207309 [0,1,0,1,0,0|1,0,0]=3 7808 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 240690a_100102657272_100011207309 [0,1,0,1,0,0|1,0,0]=3 7809 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 527a_100102657272_100011207309 [0,1,0,1,0,0|1,0,0]=3 7810 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 11a_106832991635_100000210863 [0,1,0,1,0,0|1,0,0]=3 7811 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 1626a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 7812 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 240690a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 7813 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 527a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 7814 B14R2.966 CNC(=O)c1ccc2nonc2c1 11a_106832991635_100000031939 [0,1,0,1,0,0|2,0,0]=4 7815 B14R2.966 CNC(=O)c1ccc2nonc2c1 240690a_100102657272_100000031939 [0,1,0,1,0,0|2,0,0]=4 7816 B14R2.966 CNC(=O)c1ccc2nonc2c1 527a_100102657272_100000031939 [0,1,0,1,0,0|2,0,0]=4 7817 B14R2.966 CNC(=O)c1ccc2occc2c1 11a_106832991635_100000039204 [0,1,0,1,0,0|1,0,1]=4 7818 B14R2.966 CNC(=O)c1ccc2occc2c1 1626a_100102657272_100000039204 [0,1,0,1,0,0|1,0,1]=4 7819 B14R2.966 CNC(=O)c1ccc2occc2c1 240690a_100102657272_100000039204 [0,1,0,1,0,0|1,0,1]=4 7820 B14R2.966 CNC(=O)c1ccc2occc2c1 527a_100102657272_100000039204 [0,1,0,1,0,0|1,0,1]=4 7821 B14R2.966 CNC(=O)c1ccc2ocnc2c1 11a_106832991635_100000238527 [0,1,0,1,0,0|1,0,1]=4 7822 B14R2.966 CNC(=O)c1ccc2ocnc2c1 1626a_100102657272_100000238527 [0,1,0,1,0,0|1,0,1]=4 7823 B14R2.966 COC(C)c1ccc2c(c1)OCO2 34a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 7824 B14R2.966 COC(C)c1ccc2c(c1)OCO2 7a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 7825 B14R2.966 O=C(CF)c1ccc2c(c1)CCO2 1458a_100011207309_100015361967 [0,1,0,1,0,0|2,0,0]=4 7826 B14R2.966 O=C(CF)c1ccc2c(c1)OCO2 1458a_100000210863_100015361967 [0,1,0,1,0,0|2,0,0]=4 7827 B14R2.6412 C=C=Cc1ccc2c(c1)COC2=O 271570a_100015277604_100009816608 [0,1,0,1,0,0|1,0,1]=4 7828 B14R2.6412 CC=Cc1ccc2c(c1)CCC2=O 271570a_100016259895_100000737041 [0,1,0,1,0,0|2,0,0]=4 7829 B14R2.6412 CC=Cc1ccc2c(c1)CNC2=O 271570a_100016259895_100000692135 [0,1,0,1,0,0|2,0,0]=4 7830 B14R2.6412 CC=Cc1ccc2c(c1)COC2=O 271570a_100016259895_100009816608 [0,1,0,1,0,0|1,0,0]=3 7831 B14R2.6412 CCOc1ccc2c(c1)CCC2=O 34a_100000708912_100000210202 [0,1,0,1,0,0|1,0,0]=3 7832 B14R2.6412 CCOc1ccc2c(c1)CCC2=O 7a_100000708912_100000210202 [0,1,0,1,0,0|1,0,0]=3 7833 B14R2.6412 CCOc1ccc2c(c1)CNC2=O 34a_100000098542_100000210202 [0,1,0,1,0,0|1,0,0]=3 7834 B14R2.6412 CCOc1ccc2c(c1)COC2=O 7a_100000044543_100000210202 [0,1,0,1,0,0|0,0,0]=2 7835 B14R2.6412 CCSc1ccc2c(c1)CCC2=O 62a_100000210202_100000737041 [0,1,0,1,0,0|1,1,0]=4 7836 B14R2.6412 CCSc1ccc2c(c1)CCC2=O 62a_100000737041_100000210202 [0,1,0,1,0,0|1,1,0]=4 7837 B14R2.6412 CCSc1ccc2c(c1)CNC2=O 62a_100000210202_100000692135 [0,1,0,1,0,0|1,1,0]=4 7838 B14R2.6412 CCSc1ccc2c(c1)CNC2=O 62a_100000692135_100000210202 [0,1,0,1,0,0|1,1,0]=4 7839 B14R2.6412 CCSc1ccc2c(c1)COC2=O 62a_100009816608_100000210202 [0,1,0,1,0,0|0,1,0]=3 7840 B14R2.6412 CNCc1ccc2c(c1)COC2=O 26a_100102657272_100000044543 [0,1,0,1,0,0|1,0,0]=3 7841 B14R2.6412 O=C1CCc2c1ccc(c2)OCF 34a_100000708912_100015361967 [0,1,0,1,0,0|1,0,0]=3 7842 B14R2.6412 O=C1CCc2c1ccc(c2)OCF 7a_100000708912_100015361967 [0,1,0,1,0,0|1,0,0]=3 7843 B14R2.6412 O=C1CCc2c1ccc(c2)SCF 62a_100000737041_100015361967 [0,1,0,1,0,0|1,1,0]=4 7844 B14R2.6412 O=C1CCc2c1ccc(c2)SCF 62a_100015361967_100000737041 [0,1,0,1,0,0|1,1,0]=4 7845 B14R2.6412 O=C1NCc2c1ccc(c2)OCF 34a_100000098542_100015361967 [0,1,0,1,0,0|1,0,0]=3 7846 B14R2.6412 O=C1NCc2c1ccc(c2)SCF 62a_100000692135_100015361967 [0,1,0,1,0,0|1,1,0]=4 7847 B14R2.6412 O=C1NCc2c1ccc(c2)SCF 62a_100015361967_100000692135 [0,1,0,1,0,0|1,1,0]=4 7848 B14R2.6412 O=C1OCc2c1ccc(c2)OCF 7a_100000044543_100015361967 [0,1,0,1,0,0|0,0,0]=2 7849 B14R2.6412 O=C1OCc2c1ccc(c2)SCF 62a_100009816608_100015361967 [0,1,0,1,0,0|0,1,0]=3 7850 B14R2.1812 COc1ccc2c(c1)C(=O)NC2=O 7a_100000101950_200000210301 [0,1,0,1,0,0|1,0,1]=4 7851 B14R2.1812 COc1ccc2c(c1)C(=O)OC2=O 7a_100000030292_200000210301 [0,1,0,1,0,0|0,0,1]=3 7852 B14R2.1812 COc1ccc2c(nn(c2c1)C)N 34a_200000117609_200000210301 [0,1,0,1,0,0|2,0,0]=4 7853 B14R2.1812 COc1ccc2c(nn(c2c1)C)O 271570a_203496583355_200010989029 [0,1,0,1,0,0|1,0,1]=4 7854 B14R2.1812 Cn1nc(c2c1cc(cc2)O[13CH3])N 34a_200000117609_200025704644 [0,1,0,1,0,0|2,0,0]=4 7855 B14R2.1812 [13CH3]Oc1ccc2c(c1)C(=O)NC2=O 7a_100000101950_200025704644 [0,1,0,1,0,0|1,0,1]=4 7856 B14R2.1812 [13CH3]Oc1ccc2c(c1)C(=O)OC2=O 7a_100000030292_200025704644 [0,1,0,1,0,0|0,0,1]=3 7857 B14R2.9949 CCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210303 [0,1,0,1,0,0|2,0,0]=4 7858 B14R2.9949 CCNC(=O)c1ccc2c(c1)CC2 11a_100015525214_100000137882 [0,1,0,1,0,0|2,0,0]=4 7859 B14R2.9949 CCNC(=O)c1ccc2c(c1)CC2 240690a_100015525214_100000137882 [0,1,0,1,0,0|2,0,0]=4 7860 B14R2.9949 CCNC(=O)c1ccc2c(c1)CC2 527a_100015525214_100000137882 [0,1,0,1,0,0|2,0,0]=4 7861 B14R2.9949 CNNC(=O)c1ccc2c(c1)CC2 22a_100016993582_100000137882 [0,1,0,1,0,0|2,0,0]=4 7862 B14R2.9949 O=C(CCF)c1ccc2c(c1)CC2 1458a_100000137882_100011217306 [0,1,0,1,0,0|2,0,0]=4 7863 B14R2.9949 O=C(CCO)c1ccc2c(c1)CC2 1458a_100000137882_100000211926 [0,1,0,1,0,0|2,0,0]=4 7864 B14R2.5719 C=C(C)c1ccc2c(c1)CCC2=O 271570a_100000694244_100000737041 [0,1,0,1,0,0|2,0,0]=4 7865 B14R2.5719 C=C(C)c1ccc2c(c1)CNC2=O 271570a_100000694244_100000692135 [0,1,0,1,0,0|2,0,0]=4 7866 B14R2.5719 C=C(C)c1ccc2c(c1)COC2=O 271570a_100000694244_100009816608 [0,1,0,1,0,0|1,0,0]=3 7867 B14R2.5719 CC(=O)c1ccc2c(c1)CNC2=O 1458a_100009866785_200000210301 [0,1,0,1,0,0|2,0,0]=4 7868 B14R2.5719 CC(=O)c1ccc2c(c1)COC2=O 1458a_100000049098_200000210301 [0,1,0,1,0,0|1,0,0]=3 7869 B14R2.5719 [13CH3]C(=O)c1ccc2c(c1)CNC2=O 1458a_100009866785_200025704644 [0,1,0,1,0,0|2,0,0]=4 7870 B14R2.5719 [13CH3]C(=O)c1ccc2c(c1)COC2=O 1458a_100000049098_200025704644 [0,1,0,1,0,0|1,0,0]=3 7871 B14R2.1416 COc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_200010010916 [0,1,0,1,0,0|1,0,0]=3 7872 B14R2.1416 CSc1cc2c(cc1C)C(=O)CC2 62a_100010010902_200000210301 [0,1,0,1,0,0|1,1,0]=4 7873 B14R2.1416 CSc1cc2c(cc1C)C(=O)CC2 62a_200000210301_100010010902 [0,1,0,1,0,0|1,1,0]=4 7874 B14R2.1416 CSc1cc2c(cc1F)C(=O)CC2 62a_100010010804_200000210301 [0,1,0,1,0,0|1,1,0]=4 7875 B14R2.1416 CSc1cc2c(cc1F)C(=O)CC2 62a_200000210301_100010010804 [0,1,0,1,0,0|1,1,0]=4 7876 B14R2.1416 Cc1cc2c(cc1S[13CH3])CCC2=O 62a_100010010902_200025704644 [0,1,0,1,0,0|1,1,0]=4 7877 B14R2.1416 Cc1cc2c(cc1S[13CH3])CCC2=O 62a_200025704644_100010010902 [0,1,0,1,0,0|1,1,0]=4 7878 B14R2.1416 [13CH3]Sc1cc2c(cc1F)C(=O)CC2 62a_100010010804_200025704644 [0,1,0,1,0,0|1,1,0]=4 7879 B14R2.1416 [13CH3]Sc1cc2c(cc1F)C(=O)CC2 62a_200025704644_100010010804 [0,1,0,1,0,0|1,1,0]=4 7880 B14R2.1802 C=Cc1ccc2c(c1C)COC2=O 271570a_100011290941_100010986288 [0,1,0,1,0,0|1,0,1]=4 7881 B14R2.1802 COc1ccc2c(c1C)COC2=O 7a_100010675704_200000210301 [0,1,0,1,0,0|0,0,0]=2 7882 B14R2.1802 COc1ccc2c(c1C)OCC2=O 34a_100000053835_200000210301 [0,1,0,1,0,0|2,0,0]=4 7883 B14R2.1802 COc1ccc2c(c1C)OCC2=O 7a_100000053835_200000210301 [0,1,0,1,0,0|2,0,0]=4 7884 B14R2.1802 COc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010212354 [0,1,0,1,0,0|1,0,0]=3 7885 B14R2.1802 CSc1ccc2c(c1C)CCC2=O 62a_100010133460_200000210301 [0,1,0,1,0,0|1,1,0]=4 7886 B14R2.1802 CSc1ccc2c(c1C)CCC2=O 62a_200000210301_100010133460 [0,1,0,1,0,0|1,1,0]=4 7887 B14R2.1802 CSc1ccc2c(c1C)COC2=O 62a_100010986288_200000210301 [0,1,0,1,0,0|0,1,0]=3 7888 B14R2.1802 CSc1ccc2c(c1F)CCC2=O 62a_100010133455_200000210301 [0,1,0,1,0,0|1,1,0]=4 7889 B14R2.1802 CSc1ccc2c(c1F)CCC2=O 62a_200000210301_100010133455 [0,1,0,1,0,0|1,1,0]=4 7890 B14R2.1802 Cc1c(ccc2c1CCC2=O)S[13CH3] 62a_100010133460_200025704644 [0,1,0,1,0,0|1,1,0]=4 7891 B14R2.1802 Cc1c(ccc2c1CCC2=O)S[13CH3] 62a_200025704644_100010133460 [0,1,0,1,0,0|1,1,0]=4 7892 B14R2.1802 Cc1c(ccc2c1COC2=O)O[13CH3] 7a_100010675704_200025704644 [0,1,0,1,0,0|0,0,0]=2 7893 B14R2.1802 Cc1c(ccc2c1COC2=O)S[13CH3] 62a_100010986288_200025704644 [0,1,0,1,0,0|0,1,0]=3 7894 B14R2.1802 Cc1c(ccc2c1OCC2=O)O[13CH3] 34a_100000053835_200025704644 [0,1,0,1,0,0|2,0,0]=4 7895 B14R2.1802 Cc1c(ccc2c1OCC2=O)O[13CH3] 7a_100000053835_200025704644 [0,1,0,1,0,0|2,0,0]=4 7896 B14R2.1802 [13CH3]Sc1ccc2c(c1F)CCC2=O 62a_100010133455_200025704644 [0,1,0,1,0,0|1,1,0]=4 7897 B14R2.1802 [13CH3]Sc1ccc2c(c1F)CCC2=O 62a_200025704644_100010133455 [0,1,0,1,0,0|1,1,0]=4 7898 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [1,0,0,0,1,0|1,1,0]=4 7899 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [1,0,0,0,1,0|1,1,0]=4 7900 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [1,0,0,0,1,0|1,1,0]=4 7901 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [1,0,0,0,1,0|1,1,0]=4 7902 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [1,0,0,0,1,0|1,1,0]=4 7903 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [1,0,0,0,1,0|1,1,0]=4 7904 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [1,0,0,0,1,0|1,1,0]=4 7905 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [1,0,0,0,1,0|1,1,0]=4 7906 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [1,0,0,0,1,0|1,1,0]=4 7907 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [1,0,0,0,1,0|1,1,0]=4 7908 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [1,0,0,0,1,0|1,1,0]=4 7909 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [1,0,0,0,1,0|1,1,0]=4 7910 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [1,0,0,0,1,0|1,1,0]=4 7911 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [1,0,0,0,1,0|1,1,0]=4 7912 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [1,0,0,0,1,0|1,1,0]=4 7913 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [1,0,0,0,1,0|1,1,0]=4 7914 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [1,0,0,0,1,0|2,0,0]=4 7915 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [1,0,0,0,1,0|2,0,0]=4 7916 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [1,0,0,0,1,0|2,0,0]=4 7917 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [1,0,0,0,1,0|1,0,0]=3 7918 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [1,0,0,0,1,0|2,0,0]=4 7919 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [1,0,0,0,1,0|1,0,0]=3 7920 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [1,0,0,0,1,0|1,0,0]=3 7921 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [1,0,0,0,1,0|1,0,0]=3 7922 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [1,0,0,0,1,0|1,0,0]=3 7923 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [1,0,0,0,1,0|1,0,0]=3 7924 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [1,0,0,0,1,0|2,0,0]=4 7925 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [1,0,0,0,1,0|2,0,0]=4 7926 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [1,0,0,0,1,0|2,0,0]=4 7927 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [1,0,0,0,1,0|1,0,0]=3 7928 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [1,0,0,0,1,0|2,0,0]=4 7929 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [1,0,0,0,1,0|2,0,0]=4 7930 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [1,0,0,0,1,0|2,0,0]=4 7931 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [1,0,0,0,0,1|1,0,1]=4 7932 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [1,0,0,0,0,1|1,0,1]=4 7933 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [1,0,0,0,0,1|1,0,1]=4 7934 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [1,0,0,0,0,1|1,0,1]=4 7935 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [1,0,0,0,0,1|1,0,1]=4 7936 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [1,0,0,0,0,1|2,0,0]=4 7937 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [1,0,0,0,0,1|2,0,0]=4 7938 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [1,0,0,0,0,1|1,0,0]=3 7939 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [1,0,0,0,0,1|1,0,0]=3 7940 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [1,0,0,0,0,1|2,0,0]=4 7941 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [1,0,0,0,0,1|2,0,0]=4 7942 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [1,0,0,0,0,1|2,0,0]=4 7943 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [1,0,0,0,0,1|2,0,0]=4 7944 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [1,0,0,0,0,1|2,0,0]=4 7945 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [1,0,0,0,0,1|2,0,0]=4 7946 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [1,0,0,0,0,1|1,0,0]=3 7947 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [1,0,0,0,0,1|2,0,0]=4 7948 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [1,0,0,0,0,1|2,0,0]=4 7949 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [1,0,0,0,0,1|2,0,0]=4 7950 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [1,0,0,0,0,1|2,0,0]=4 7951 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [1,0,0,0,0,1|2,0,0]=4 7952 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [1,0,0,0,0,1|2,0,0]=4 7953 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [1,0,0,0,0,1|2,0,0]=4 7954 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [1,0,0,0,0,1|2,0,0]=4 7955 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [1,0,0,0,0,1|1,0,0]=3 7956 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [1,0,0,0,0,1|1,0,0]=3 7957 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [1,0,0,0,0,1|1,0,0]=3 7958 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [1,0,0,0,0,1|1,0,0]=3 7959 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [1,0,0,0,0,1|2,0,0]=4 7960 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [1,0,0,0,0,1|2,0,0]=4 7961 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [1,0,0,0,0,1|2,0,0]=4 7962 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [1,0,0,0,0,1|2,0,0]=4 7963 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [1,0,0,0,0,1|2,0,0]=4 7964 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [1,0,0,0,0,1|2,0,0]=4 7965 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [1,0,0,0,0,1|2,0,0]=4 7966 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [1,0,0,0,0,1|2,0,0]=4 7967 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [1,0,0,0,0,1|2,0,0]=4 7968 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [1,0,0,0,0,1|2,0,0]=4 7969 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [1,0,0,0,0,1|2,0,0]=4 7970 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [1,0,0,0,0,1|2,0,0]=4 7971 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [1,0,0,0,0,1|1,0,0]=3 7972 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [1,0,0,0,0,1|1,0,0]=3 7973 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [1,0,0,0,0,1|2,0,0]=4 7974 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [1,0,0,0,0,1|2,0,0]=4 7975 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [1,0,0,0,0,1|2,0,0]=4 7976 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [1,0,0,0,0,1|1,0,0]=3 7977 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [1,0,0,0,0,1|1,0,0]=3 7978 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [1,0,0,0,0,1|1,0,0]=3 7979 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [1,0,0,0,0,1|2,0,0]=4 7980 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [1,0,0,0,0,1|2,0,0]=4 7981 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [1,0,0,0,0,1|2,0,0]=4 7982 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [1,0,0,0,0,1|2,0,0]=4 7983 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [1,0,0,0,0,1|2,0,0]=4 7984 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [1,0,0,0,0,1|2,0,0]=4 7985 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [1,0,0,0,0,1|2,0,0]=4 7986 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [1,0,0,0,0,1|2,0,0]=4 7987 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [1,0,0,0,0,1|2,0,0]=4 7988 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [1,0,0,0,0,1|2,0,0]=4 7989 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [1,0,0,0,0,1|2,0,0]=4 7990 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [1,0,0,0,0,1|1,0,0]=3 7991 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [1,0,0,0,0,1|1,0,0]=3 7992 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [1,0,0,0,0,1|1,0,0]=3 7993 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [1,0,0,0,0,1|1,0,0]=3 7994 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [1,0,0,0,0,1|2,0,0]=4 7995 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [1,0,0,0,0,1|2,0,0]=4 7996 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [1,0,0,0,0,1|2,0,0]=4 7997 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [1,0,0,0,0,1|2,0,0]=4 7998 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [1,0,0,0,0,1|2,0,0]=4 7999 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [1,0,0,0,0,1|2,0,0]=4 8000 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [1,0,0,0,0,1|2,0,0]=4 8001 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [1,0,0,0,0,1|2,0,0]=4 8002 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [1,0,0,0,0,1|1,0,0]=3 8003 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [1,0,0,0,0,1|2,0,0]=4 8004 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [1,0,0,0,0,1|2,0,0]=4 8005 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [1,0,0,0,0,1|2,0,0]=4 8006 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [1,0,0,0,0,1|1,0,0]=3 8007 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [1,0,0,0,0,1|0,0,0]=2 8008 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [1,0,0,0,0,1|1,0,0]=3 8009 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [1,0,0,0,0,1|1,0,0]=3 8010 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [1,0,0,0,0,1|2,0,0]=4 8011 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [1,0,0,0,0,1|0,0,0]=2 8012 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [1,0,0,0,0,1|1,0,0]=3 8013 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [1,0,0,0,0,1|1,0,1]=4 8014 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [1,0,0,0,0,1|1,0,1]=4 8015 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [1,0,0,0,0,1|1,0,1]=4 8016 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [1,0,0,0,0,1|2,0,0]=4 8017 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [1,0,0,0,0,1|2,0,0]=4 8018 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [1,0,0,0,0,1|2,0,0]=4 8019 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [1,0,0,0,0,1|2,0,0]=4 8020 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [1,0,0,0,0,1|2,0,0]=4 8021 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [1,0,0,0,0,1|2,0,0]=4 8022 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,0,0,0,1,1|1,0,1]=4 8023 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,0,0,0,1,1|1,0,1]=4 8024 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,0,0,0,1,1|1,0,1]=4 8025 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,0,0,0,1,1|1,0,1]=4 8026 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000094848_200000210301 [0,0,0,0,1,1|1,1,0]=4 8027 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000210301_200000094848 [0,0,0,0,1,1|1,1,0]=4 8028 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200000094848_200025704644 [0,0,0,0,1,1|1,1,0]=4 8029 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_200000094848 [0,0,0,0,1,1|1,1,0]=4 8030 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,0,0,0,1,1|2,0,0]=4 8031 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,0,0,0,1,1|1,0,0]=3 8032 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,0,0,0,1,1|1,0,0]=3 8033 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,0,0,0,1,1|1,0,0]=3 8034 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,0,0,0,1,1|1,0,0]=3 8035 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,0,0,0,1,1|1,0,0]=3 8036 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,0,0,0,1,1|1,1,0]=4 8037 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,0,0,0,1,1|1,1,0]=4 8038 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,0,0,0,1,1|1,1,0]=4 8039 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,0,0,0,1,1|1,1,0]=4 8040 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,0,0,0,1,1|1,1,0]=4 8041 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,0,0,0,1,1|2,0,0]=4 8042 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,0,0,0,1,1|2,0,0]=4 8043 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,0,0,0,1,1|2,0,0]=4 8044 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,0,0,0,1,1|2,0,0]=4 8045 B12R1.435 CNC(=O)c1cc(ccn1)NC 27a_100102657272_100000204654 [0,0,0,0,1,1|2,0,0]=4 8046 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_100000204654_200000210301 [0,0,0,0,1,1|1,1,0]=4 8047 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_200000210301_100000204654 [0,0,0,0,1,1|1,1,0]=4 8048 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_100000204654_200025704644 [0,0,0,0,1,1|1,1,0]=4 8049 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000204654 [0,0,0,0,1,1|1,1,0]=4 8050 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,0,0,0,1,1|2,0,0]=4 8051 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,0,0,0,1,1|2,0,0]=4 8052 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,0,0,0,1,1|1,0,0]=3 8053 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,0,0,0,1,1|1,0,0]=3 8054 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,0,0,0,1,1|1,0,0]=3 8055 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,0,0,0,1,1|1,0,0]=3 8056 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,0,0,0,1,1|1,0,0]=3 8057 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,0,0,0,1,1|1,0,0]=3 8058 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,0,0,0,1,1|1,0,0]=3 8059 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,0,0,0,1,1|1,0,0]=3 8060 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,0,0,0,1,1|1,1,0]=4 8061 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,0,0,0,1,1|1,1,0]=4 8062 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,0,0,0,1,1|1,1,0]=4 8063 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,0,0,0,1,1|1,1,0]=4 8064 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,0,0,0,1,1|1,1,0]=4 8065 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,0,0,0,1,1|1,1,0]=4 8066 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,0,0,0,1,1|1,1,0]=4 8067 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,0,0,0,1,1|1,1,0]=4 8068 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_100011196506_200000210301 [0,0,0,0,1,1|1,1,0]=4 8069 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_200000210301_100011196506 [0,0,0,0,1,1|1,1,0]=4 8070 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_100011196506_200025704644 [0,0,0,0,1,1|1,1,0]=4 8071 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011196506 [0,0,0,0,1,1|1,1,0]=4 8072 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [0,0,0,0,1,1|2,0,0]=4 8073 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [0,0,0,0,1,1|1,1,0]=4 8074 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [0,0,0,0,1,1|1,1,0]=4 8075 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [0,0,0,0,1,1|1,1,0]=4 8076 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [0,0,0,0,1,1|1,1,0]=4 8077 B12R1.435 CNc1cc(cnn1)C(=O)OC 27a_100102657272_100009862058 [0,0,0,0,1,1|2,0,0]=4 8078 B12R1.435 CNc1cc(ncn1)C(=O)OC 27a_100102657272_100000051410 [0,0,0,0,1,1|2,0,0]=4 8079 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,0,0,0,1,1|2,0,0]=4 8080 B12R1.435 CNc1cncc(n1)C(=O)OC 27a_100102657272_100000765340 [0,0,0,0,1,1|2,0,0]=4 8081 B12R1.435 CNc1nccc(n1)C(=O)OC 27a_100102657272_100000070389 [0,0,0,0,1,1|2,0,0]=4 8082 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,0,0,0,1,1|0,0,0]=2 8083 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,0,0,0,1,1|0,0,0]=2 8084 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,0,0,0,1,1|0,1,0]=3 8085 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,0,0,0,1,1|0,1,0]=3 8086 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,0,0,0,1,1|0,1,0]=3 8087 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,0,0,0,1,1|0,1,0]=3 8088 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_100000051410_200000210301 [0,0,0,0,1,1|1,1,0]=4 8089 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_200000210301_100000051410 [0,0,0,0,1,1|1,1,0]=4 8090 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_100000051410_200025704644 [0,0,0,0,1,1|1,1,0]=4 8091 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_200025704644_100000051410 [0,0,0,0,1,1|1,1,0]=4 8092 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,0,0,0,1,1|0,0,0]=2 8093 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,0,0,0,1,1|0,0,0]=2 8094 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,0,0,0,1,1|0,0,0]=2 8095 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,0,0,0,1,1|0,0,0]=2 8096 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,0,0,0,1,1|0,1,0]=3 8097 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,0,0,0,1,1|0,1,0]=3 8098 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,0,0,0,1,1|0,1,0]=3 8099 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,0,0,0,1,1|0,1,0]=3 8100 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,0,0,0,1,1|1,1,0]=4 8101 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,0,0,0,1,1|1,1,0]=4 8102 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,0,0,0,1,1|1,1,0]=4 8103 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,0,0,0,1,1|1,1,0]=4 8104 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,0,0,0,1,1|0,0,0]=2 8105 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,0,0,0,1,1|0,0,0]=2 8106 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,0,0,0,1,1|0,1,0]=3 8107 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,0,0,0,1,1|0,1,0]=3 8108 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,0,0,0,1,1|0,1,0]=3 8109 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,0,0,0,1,1|0,1,0]=3 8110 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_100000070389_200000210301 [0,0,0,0,1,1|1,1,0]=4 8111 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_200000210301_100000070389 [0,0,0,0,1,1|1,1,0]=4 8112 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_100000070389_200025704644 [0,0,0,0,1,1|1,1,0]=4 8113 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100000070389 [0,0,0,0,1,1|1,1,0]=4 8114 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,0,0,0,1,1|0,0,0]=2 8115 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,0,0,0,1,1|0,0,0]=2 8116 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,0,0,0,1,1|0,0,0]=2 8117 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,0,0,0,1,1|0,0,0]=2 8118 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,0,0,0,1,1|0,1,0]=3 8119 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,0,0,0,1,1|0,1,0]=3 8120 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,0,0,0,1,1|0,1,0]=3 8121 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,0,0,0,1,1|0,1,0]=3 8122 B12R1.435 COC(=O)c1cncc(n1)SC 62a_100000765340_200000210301 [0,0,0,0,1,1|1,1,0]=4 8123 B12R1.435 COC(=O)c1cncc(n1)SC 62a_200000210301_100000765340 [0,0,0,0,1,1|1,1,0]=4 8124 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_100000765340_200025704644 [0,0,0,0,1,1|1,1,0]=4 8125 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_200025704644_100000765340 [0,0,0,0,1,1|1,1,0]=4 8126 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_100009862058_200000210301 [0,0,0,0,1,1|1,1,0]=4 8127 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_200000210301_100009862058 [0,0,0,0,1,1|1,1,0]=4 8128 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_100009862058_200025704644 [0,0,0,0,1,1|1,1,0]=4 8129 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_200025704644_100009862058 [0,0,0,0,1,1|1,1,0]=4 8130 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,0,0,0,1,1|2,0,0]=4 8131 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,0,0,0,1,1|2,0,0]=4 8132 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,0,0,0,1,1|2,0,0]=4 8133 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [0,0,0,0,1,1|1,0,1]=4 8134 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [0,0,0,0,1,1|1,0,1]=4 8135 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [0,0,0,0,1,1|1,0,1]=4 8136 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [0,0,0,0,1,1|1,0,1]=4 8137 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,0,0,0,1,1|2,0,0]=4 8138 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,0,0,0,1,1|2,0,0]=4 8139 B14R1.5 C#CC(=O)CCc1ccc(cc1)OC 1458a_100000211873_100000184700 [0,0,0,0,0,2|1,0,1]=4 8140 B14R1.5 C#Cc1ccc(cc1)NCC(=O)OC 34a_100011215031_100000747449 [0,0,0,0,0,2|1,0,1]=4 8141 B14R1.5 C=CC(=O)CCc1ccc(cc1)OC 1458a_100000185746_100000184700 [0,0,0,0,0,2|1,0,1]=4 8142 B14R1.5 C=CC(=O)NCc1ccc(cc1)OC 1626a_100000185587_100000185746 [0,0,0,0,0,2|1,0,1]=4 8143 B14R1.5 C=CC(=O)NCc1ccc(cc1)OC 240690a_100000185587_200121576911 [0,0,0,0,0,2|1,0,1]=4 8144 B14R1.5 C=CC(=O)NNc1ccc(cc1)OC 22a_100000005221_100000185746 [0,0,0,0,0,2|1,0,1]=4 8145 B14R1.5 C=Cc1ccc(cc1)/C=C/C(=O)OC 271570a_100011290941_100000148628 [0,0,0,0,0,2|1,0,1]=4 8146 B14R1.5 C=Cc1ccc(cc1)C#CC(=O)OC 271570a_100011290941_100012100070 [0,0,0,0,0,2|1,0,1]=4 8147 B14R1.5 C=Cc1ccc(cc1)CCC(=O)OC 271570a_100011290941_100012357364 [0,0,0,0,0,2|1,0,1]=4 8148 B14R1.5 C=Cc1ccc(cc1)NCC(=O)OC 34a_100011218248_100000747449 [0,0,0,0,0,2|1,0,1]=4 8149 B14R1.5 C=Cc1ccc(cc1)OCC(=O)OC 271570a_100011290941_100000149925 [0,0,0,0,0,2|1,0,1]=4 8150 B14R1.5 C=Cc1ccc(cc1)OCC(=O)OC 34a_100000189437_100000747449 [0,0,0,0,0,2|1,0,1]=4 8151 B14R1.5 C=Cc1ccc(cc1)OCC(=O)OC 7a_100000189437_100000747449 [0,0,0,0,0,2|1,0,1]=4 8152 B14R1.5 C=Cc1ccc(cc1)SCC(=O)OC 62a_100000747449_100000748128 [0,0,0,0,0,2|1,0,1]=4 8153 B14R1.5 C=Cc1ccc(cc1)SCC(=O)OC 62a_100000748128_100000747449 [0,0,0,0,0,2|1,0,1]=4 8154 B14R1.5 CCC(=O)C#Cc1ccc(cc1)OC 1458a_100000185621_100000210202 [0,0,0,0,0,2|1,0,0]=3 8155 B14R1.5 CCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210202 [0,0,0,0,0,2|2,0,0]=4 8156 B14R1.5 CCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210202 [0,0,0,0,0,2|1,0,0]=3 8157 B14R1.5 CCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210202 [0,0,0,0,0,2|1,1,0]=4 8158 B14R1.5 CCC(=O)CCc1ccc(cc1)CC 1458a_100000195522_100000210202 [0,0,0,0,0,2|2,0,0]=4 8159 B14R1.5 CCC(=O)CCc1ccc(cc1)OC 1458a_100000210414_100000184700 [0,0,0,0,0,2|1,0,0]=3 8160 B14R1.5 CCC(=O)CCc1ccc(cc1)OC 1458a_100000211712_100000210202 [0,0,0,0,0,2|1,0,0]=3 8161 B14R1.5 CCC(=O)CCc1ccc(cc1)SC 1458a_100011252364_100000210202 [0,0,0,0,0,2|1,1,0]=4 8162 B14R1.5 CCC(=O)COc1ccc(cc1)CC 1458a_100000182499_100000210202 [0,0,0,0,0,2|2,0,0]=4 8163 B14R1.5 CCC(=O)COc1ccc(cc1)CC 7a_100000211359_100000747405 [0,0,0,0,0,2|2,0,0]=4 8164 B14R1.5 CCC(=O)COc1ccc(cc1)OC 1458a_100000186439_100000210202 [0,0,0,0,0,2|1,0,0]=3 8165 B14R1.5 CCC(=O)CSc1ccc(cc1)CC 62a_100000747405_100011215824 [0,0,0,0,0,2|2,0,0]=4 8166 B14R1.5 CCC(=O)CSc1ccc(cc1)CC 62a_100011215824_100000747405 [0,0,0,0,0,2|2,0,0]=4 8167 B14R1.5 CCC(=O)CSc1ccc(cc1)NC 62a_100000743151_100000747405 [0,0,0,0,0,2|2,0,0]=4 8168 B14R1.5 CCC(=O)CSc1ccc(cc1)NC 62a_100000747405_100000743151 [0,0,0,0,0,2|2,0,0]=4 8169 B14R1.5 CCC(=O)CSc1ccc(cc1)OC 1458a_100000182033_100000210202 [0,0,0,0,0,2|1,0,0]=3 8170 B14R1.5 CCC(=O)CSc1ccc(cc1)OC 62a_100000747405_100000171711 [0,0,0,0,0,2|1,0,0]=3 8171 B14R1.5 CCC(=O)CSc1ccc(cc1)SC 62a_100000747405_100011263217 [0,0,0,0,0,2|1,1,0]=4 8172 B14R1.5 CCC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000747405 [0,0,0,0,0,2|1,1,0]=4 8173 B14R1.5 CCC(=O)CSc1ccc(cn1)OC 62a_100000747405_100000744180 [0,0,0,0,0,2|2,0,0]=4 8174 B14R1.5 CCC(=O)CSc1ccc(cn1)OC 62a_100000755202_100000747405 [0,0,0,0,0,2|2,0,0]=4 8175 B14R1.5 CCC(=O)CSc1ccc(nc1)OC 62a_100000047065_100000747405 [0,0,0,0,0,2|2,0,0]=4 8176 B14R1.5 CCC(=O)CSc1ccc(nc1)OC 62a_100000747405_100000047065 [0,0,0,0,0,2|2,0,0]=4 8177 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 11a_100000721222_100000210414 [0,0,0,0,0,2|2,0,0]=4 8178 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 1626a_100000721222_100000210414 [0,0,0,0,0,2|2,0,0]=4 8179 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 240690a_100000721222_100000210414 [0,0,0,0,0,2|2,0,0]=4 8180 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 527a_100000721222_100000210414 [0,0,0,0,0,2|2,0,0]=4 8181 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 11a_100000185587_100000210414 [0,0,0,0,0,2|1,0,0]=3 8182 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 1626a_100000185587_100000210414 [0,0,0,0,0,2|1,0,0]=3 8183 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 240690a_100000185587_100000210414 [0,0,0,0,0,2|1,0,0]=3 8184 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 527a_100000185587_100000210414 [0,0,0,0,0,2|1,0,0]=3 8185 B14R1.5 CCC(=O)NCc1ccc(cc1)SC 11a_100000174980_100000210414 [0,0,0,0,0,2|1,1,0]=4 8186 B14R1.5 CCC(=O)NCc1ccc(cc1)SC 240690a_100000174980_100000210414 [0,0,0,0,0,2|1,1,0]=4 8187 B14R1.5 CCC(=O)NCc1ccc(cc1)SC 527a_100000174980_100000210414 [0,0,0,0,0,2|1,1,0]=4 8188 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 11a_100000703904_100000210414 [0,0,0,0,0,2|2,0,0]=4 8189 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 1626a_100000703904_100000210414 [0,0,0,0,0,2|2,0,0]=4 8190 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 240690a_100000703904_100000210414 [0,0,0,0,0,2|2,0,0]=4 8191 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 527a_100000703904_100000210414 [0,0,0,0,0,2|2,0,0]=4 8192 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 11a_100000241975_100000210414 [0,0,0,0,0,2|2,0,0]=4 8193 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 1626a_100000241975_100000210414 [0,0,0,0,0,2|2,0,0]=4 8194 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 240690a_100000241975_100000210414 [0,0,0,0,0,2|2,0,0]=4 8195 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 527a_100000241975_100000210414 [0,0,0,0,0,2|2,0,0]=4 8196 B14R1.5 CCC(=O)NNc1ccc(cc1)CC 22a_100015204395_100000210414 [0,0,0,0,0,2|2,0,0]=4 8197 B14R1.5 CCC(=O)NNc1ccc(cc1)OC 22a_100000005221_100000210414 [0,0,0,0,0,2|1,0,0]=3 8198 B14R1.5 CCC(=O)NNc1ccc(cc1)SC 22a_100000006515_100000210414 [0,0,0,0,0,2|1,1,0]=4 8199 B14R1.5 CCC(=O)NNc1ccc(nc1)OC 22a_100102564821_100000210414 [0,0,0,0,0,2|2,0,0]=4 8200 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 11a_106832991635_100000187855 [0,0,0,0,0,2|2,0,0]=4 8201 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 1626a_100102657272_100000187855 [0,0,0,0,0,2|2,0,0]=4 8202 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 240690a_100102657272_100000187855 [0,0,0,0,0,2|2,0,0]=4 8203 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 11a_106832991635_100000195522 [0,0,0,0,0,2|2,0,0]=4 8204 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 1626a_100102657272_100000195522 [0,0,0,0,0,2|2,0,0]=4 8205 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 240690a_100102657272_100000195522 [0,0,0,0,0,2|2,0,0]=4 8206 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 527a_100102657272_100000195522 [0,0,0,0,0,2|2,0,0]=4 8207 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 2708a_100000721222_106832991635 [0,0,0,0,0,2|2,0,0]=4 8208 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 2708a_100102657272_100000721222 [0,0,0,0,0,2|2,0,0]=4 8209 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 273464a_100000721222_100102657272 [0,0,0,0,0,2|2,0,0]=4 8210 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 273464a_100102657272_100000721222 [0,0,0,0,0,2|2,0,0]=4 8211 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 512a_100000721222_100102657272 [0,0,0,0,0,2|2,0,0]=4 8212 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 512a_106832991638_100000721222 [0,0,0,0,0,2|2,0,0]=4 8213 B14R1.5 CCc1ccc(cc1)NCC(=O)NC 2230a_100000211069_100000183359 [0,0,0,0,0,2|2,0,0]=4 8214 B14R1.5 CCc1ccc(cc1)NCC(=O)NC 34a_100000211069_100000183359 [0,0,0,0,0,2|2,0,0]=4 8215 B14R1.5 CCc1ccc(cc1)NCC(=O)OC 2230a_100000211069_100000747449 [0,0,0,0,0,2|1,0,0]=3 8216 B14R1.5 CCc1ccc(cc1)NCC(=O)OC 34a_100000211069_100000747449 [0,0,0,0,0,2|1,0,0]=3 8217 B14R1.5 CCc1ccc(cc1)NNC(=O)NC 273464a_100102657272_100015204395 [0,0,0,0,0,2|2,0,0]=4 8218 B14R1.5 CCc1ccc(cc1)NNC(=O)NC 512a_106832991638_100015204395 [0,0,0,0,0,2|2,0,0]=4 8219 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 11a_106832991635_100000182499 [0,0,0,0,0,2|2,0,0]=4 8220 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 1626a_100102657272_100000182499 [0,0,0,0,0,2|2,0,0]=4 8221 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 240690a_100102657272_100000182499 [0,0,0,0,0,2|2,0,0]=4 8222 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 34a_100000211359_100000183359 [0,0,0,0,0,2|2,0,0]=4 8223 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 527a_100102657272_100000182499 [0,0,0,0,0,2|2,0,0]=4 8224 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 7a_100000211359_100000183359 [0,0,0,0,0,2|2,0,0]=4 8225 B14R1.5 CCc1ccc(cc1)OCC(=O)OC 34a_100000211359_100000747449 [0,0,0,0,0,2|1,0,0]=3 8226 B14R1.5 CCc1ccc(cc1)OCC(=O)OC 7a_100000211359_100000747449 [0,0,0,0,0,2|1,0,0]=3 8227 B14R1.5 CCc1ccc(cc1)SCC(=O)NC 62a_100000183359_100011215824 [0,0,0,0,0,2|2,0,0]=4 8228 B14R1.5 CCc1ccc(cc1)SCC(=O)NC 62a_100011215824_100000183359 [0,0,0,0,0,2|2,0,0]=4 8229 B14R1.5 CCc1ccc(cc1)SCC(=O)OC 62a_100000747449_100011215824 [0,0,0,0,0,2|1,0,0]=3 8230 B14R1.5 CCc1ccc(cc1)SCC(=O)OC 62a_100011215824_100000747449 [0,0,0,0,0,2|1,0,0]=3 8231 B14R1.5 CCc1ccc(cn1)SCC(=O)OC 62a_100000747449_100009820025 [0,0,0,0,0,2|2,0,0]=4 8232 B14R1.5 CCc1ccc(cn1)SCC(=O)OC 62a_100009820025_100000747449 [0,0,0,0,0,2|2,0,0]=4 8233 B14R1.5 CCc1ccc(nc1)SCC(=O)OC 62a_100000747449_100009843584 [0,0,0,0,0,2|2,0,0]=4 8234 B14R1.5 CCc1ccc(nc1)SCC(=O)OC 62a_100009843584_100000747449 [0,0,0,0,0,2|2,0,0]=4 8235 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 11a_106832991635_100000184205 [0,0,0,0,0,2|1,0,0]=3 8236 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 1626a_100102657272_100000184205 [0,0,0,0,0,2|1,0,0]=3 8237 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 527a_100102657272_100000184205 [0,0,0,0,0,2|1,0,0]=3 8238 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 11a_106832991635_100102526083 [0,0,0,0,0,2|1,1,0]=4 8239 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 1626a_100102657272_100102526083 [0,0,0,0,0,2|1,1,0]=4 8240 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 240690a_100102657272_100102526083 [0,0,0,0,0,2|1,1,0]=4 8241 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 11a_106832991635_100000211712 [0,0,0,0,0,2|1,0,0]=3 8242 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 1626a_100102657272_100000211712 [0,0,0,0,0,2|1,0,0]=3 8243 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 240690a_100102657272_100000211712 [0,0,0,0,0,2|1,0,0]=3 8244 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 527a_100102657272_100000211712 [0,0,0,0,0,2|1,0,0]=3 8245 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 11a_106832991635_100011252364 [0,0,0,0,0,2|1,1,0]=4 8246 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 1626a_100102657272_100011252364 [0,0,0,0,0,2|1,1,0]=4 8247 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 240690a_100102657272_100011252364 [0,0,0,0,0,2|1,1,0]=4 8248 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 527a_100102657272_100011252364 [0,0,0,0,0,2|1,1,0]=4 8249 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 62a_200000210301_200010273138 [0,0,0,0,0,2|1,1,0]=4 8250 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 62a_200010273138_200000210301 [0,0,0,0,0,2|1,1,0]=4 8251 B14R1.5 CNC(=O)CCc1ccc(cc1)S[13CH3] 62a_200010273138_200025704644 [0,0,0,0,0,2|1,1,0]=4 8252 B14R1.5 CNC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_200010273138 [0,0,0,0,0,2|1,1,0]=4 8253 B14R1.5 CNC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000183359 [0,0,0,0,0,2|1,0,0]=3 8254 B14R1.5 CNC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000183359 [0,0,0,0,0,2|1,1,0]=4 8255 B14R1.5 CNC(=O)COc1ccc(cc1)NC 2230a_100000752409_200000210301 [0,0,0,0,0,2|2,0,0]=4 8256 B14R1.5 CNC(=O)COc1ccc(cc1)NC 34a_100000182112_100000183359 [0,0,0,0,0,2|2,0,0]=4 8257 B14R1.5 CNC(=O)COc1ccc(cc1)NC 34a_100000752409_200000210301 [0,0,0,0,0,2|2,0,0]=4 8258 B14R1.5 CNC(=O)COc1ccc(cc1)N[13CH3] 2230a_100000752409_200025704644 [0,0,0,0,0,2|2,0,0]=4 8259 B14R1.5 CNC(=O)COc1ccc(cc1)N[13CH3] 34a_100000752409_200025704644 [0,0,0,0,0,2|2,0,0]=4 8260 B14R1.5 CNC(=O)COc1ccc(cc1)OC 11a_106832991635_100000186439 [0,0,0,0,0,2|1,0,0]=3 8261 B14R1.5 CNC(=O)COc1ccc(cc1)OC 1626a_100102657272_100000186439 [0,0,0,0,0,2|1,0,0]=3 8262 B14R1.5 CNC(=O)COc1ccc(cc1)OC 240690a_100102657272_100000186439 [0,0,0,0,0,2|1,0,0]=3 8263 B14R1.5 CNC(=O)COc1ccc(cc1)OC 34a_100000210503_100000183359 [0,0,0,0,0,2|1,0,0]=3 8264 B14R1.5 CNC(=O)COc1ccc(cc1)OC 527a_100102657272_100000186439 [0,0,0,0,0,2|1,0,0]=3 8265 B14R1.5 CNC(=O)COc1ccc(cc1)SC 34a_100000211864_100000183359 [0,0,0,0,0,2|1,1,0]=4 8266 B14R1.5 CNC(=O)COc1ccc(cc1)SC 62a_200000150405_200000210301 [0,0,0,0,0,2|1,1,0]=4 8267 B14R1.5 CNC(=O)COc1ccc(cc1)SC 62a_200000210301_200000150405 [0,0,0,0,0,2|1,1,0]=4 8268 B14R1.5 CNC(=O)COc1ccc(cc1)S[13CH3] 62a_200000150405_200025704644 [0,0,0,0,0,2|1,1,0]=4 8269 B14R1.5 CNC(=O)COc1ccc(cc1)S[13CH3] 62a_200025704644_200000150405 [0,0,0,0,0,2|1,1,0]=4 8270 B14R1.5 CNC(=O)COc1ccc(cn1)OC 34a_100012002028_100000183359 [0,0,0,0,0,2|2,0,0]=4 8271 B14R1.5 CNC(=O)COc1ccc(nc1)OC 34a_100011934560_100000183359 [0,0,0,0,0,2|2,0,0]=4 8272 B14R1.5 CNC(=O)CSc1ccc(cc1)NC 62a_100000183359_100000743151 [0,0,0,0,0,2|2,0,0]=4 8273 B14R1.5 CNC(=O)CSc1ccc(cc1)NC 62a_100000743151_100000183359 [0,0,0,0,0,2|2,0,0]=4 8274 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 11a_106832991635_100000182033 [0,0,0,0,0,2|1,0,0]=3 8275 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 1626a_100102657272_100000182033 [0,0,0,0,0,2|1,0,0]=3 8276 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 240690a_100102657272_100000182033 [0,0,0,0,0,2|1,0,0]=3 8277 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 527a_100102657272_100000182033 [0,0,0,0,0,2|1,0,0]=3 8278 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 62a_100000183359_100000171711 [0,0,0,0,0,2|1,0,0]=3 8279 B14R1.5 CNC(=O)CSc1ccc(cc1)SC 62a_100000183359_100011263217 [0,0,0,0,0,2|1,1,0]=4 8280 B14R1.5 CNC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000183359 [0,0,0,0,0,2|1,1,0]=4 8281 B14R1.5 CNC(=O)CSc1ccc(cn1)OC 62a_100000183359_100000744180 [0,0,0,0,0,2|2,0,0]=4 8282 B14R1.5 CNC(=O)CSc1ccc(cn1)OC 62a_100000755202_100000183359 [0,0,0,0,0,2|2,0,0]=4 8283 B14R1.5 CNC(=O)CSc1ccc(nc1)OC 62a_100000047065_100000183359 [0,0,0,0,0,2|2,0,0]=4 8284 B14R1.5 CNC(=O)CSc1ccc(nc1)OC 62a_100000183359_100000047065 [0,0,0,0,0,2|2,0,0]=4 8285 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 2708a_100000185587_106832991635 [0,0,0,0,0,2|1,0,0]=3 8286 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 2708a_100102657272_100000185587 [0,0,0,0,0,2|1,0,0]=3 8287 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 273464a_100000185587_100102657272 [0,0,0,0,0,2|1,0,0]=3 8288 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 273464a_100102657272_100000185587 [0,0,0,0,0,2|1,0,0]=3 8289 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 512a_106832991638_100000185587 [0,0,0,0,0,2|1,0,0]=3 8290 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 2708a_100000174980_106832991635 [0,0,0,0,0,2|1,1,0]=4 8291 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 2708a_100102657272_100000174980 [0,0,0,0,0,2|1,1,0]=4 8292 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 273464a_100000174980_100102657272 [0,0,0,0,0,2|1,1,0]=4 8293 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 273464a_100102657272_100000174980 [0,0,0,0,0,2|1,1,0]=4 8294 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 512a_100000174980_100102657272 [0,0,0,0,0,2|1,1,0]=4 8295 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 512a_106832991638_100000174980 [0,0,0,0,0,2|1,1,0]=4 8296 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 2708a_100000703904_106832991635 [0,0,0,0,0,2|2,0,0]=4 8297 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 2708a_100102657272_100000703904 [0,0,0,0,0,2|2,0,0]=4 8298 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 273464a_100000703904_100102657272 [0,0,0,0,0,2|2,0,0]=4 8299 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 273464a_100102657272_100000703904 [0,0,0,0,0,2|2,0,0]=4 8300 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 512a_106832991638_100000703904 [0,0,0,0,0,2|2,0,0]=4 8301 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 2708a_100000241975_106832991635 [0,0,0,0,0,2|2,0,0]=4 8302 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 2708a_100102657272_100000241975 [0,0,0,0,0,2|2,0,0]=4 8303 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 273464a_100000241975_100102657272 [0,0,0,0,0,2|2,0,0]=4 8304 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 273464a_100102657272_100000241975 [0,0,0,0,0,2|2,0,0]=4 8305 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 512a_100000241975_100102657272 [0,0,0,0,0,2|2,0,0]=4 8306 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 512a_106832991638_100000241975 [0,0,0,0,0,2|2,0,0]=4 8307 B14R1.5 CNC(=O)NNc1ccc(cc1)OC 273464a_100102657272_100000005221 [0,0,0,0,0,2|1,0,0]=3 8308 B14R1.5 CNC(=O)NNc1ccc(cc1)OC 512a_106832991638_100000005221 [0,0,0,0,0,2|1,0,0]=3 8309 B14R1.5 CNC(=O)NNc1ccc(cc1)SC 273464a_100102657272_100000006515 [0,0,0,0,0,2|1,1,0]=4 8310 B14R1.5 CNC(=O)NNc1ccc(cc1)SC 512a_106832991638_100000006515 [0,0,0,0,0,2|1,1,0]=4 8311 B14R1.5 CNC(=O)NNc1ccc(nc1)OC 273464a_100102657272_100102564821 [0,0,0,0,0,2|2,0,0]=4 8312 B14R1.5 CNC(=O)NNc1ccc(nc1)OC 512a_106832991638_100102564821 [0,0,0,0,0,2|2,0,0]=4 8313 B14R1.5 CNc1ccc(cc1)OCC(=O)OC 34a_100000182112_100000747449 [0,0,0,0,0,2|1,0,0]=3 8314 B14R1.5 CNc1ccc(cc1)SCC(=O)OC 62a_100000743151_100000747449 [0,0,0,0,0,2|1,0,0]=3 8315 B14R1.5 CNc1ccc(cc1)SCC(=O)OC 62a_100000747449_100000743151 [0,0,0,0,0,2|1,0,0]=3 8316 B14R1.5 CNc1ccc(cn1)SCC(=O)OC 62a_100000741341_100000747449 [0,0,0,0,0,2|2,0,0]=4 8317 B14R1.5 CNc1ccc(cn1)SCC(=O)OC 62a_100000747449_100000741341 [0,0,0,0,0,2|2,0,0]=4 8318 B14R1.5 CNc1ccc(nc1)SCC(=O)OC 62a_100000747449_100000764248 [0,0,0,0,0,2|2,0,0]=4 8319 B14R1.5 CNc1ccc(nc1)SCC(=O)OC 62a_100000764248_100000747449 [0,0,0,0,0,2|2,0,0]=4 8320 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_100000148628_200000210301 [0,0,0,0,0,2|0,1,0]=3 8321 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_200000210301_100000148628 [0,0,0,0,0,2|0,1,0]=3 8322 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_100000148628_200025704644 [0,0,0,0,0,2|0,1,0]=3 8323 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100000148628 [0,0,0,0,0,2|0,1,0]=3 8324 B14R1.5 COC(=O)C#Cc1ccc(cc1)SC 62a_200000210301_100012100070 [0,0,0,0,0,2|0,1,0]=3 8325 B14R1.5 COC(=O)C#Cc1ccc(cc1)S[13CH3] 62a_200025704644_100012100070 [0,0,0,0,0,2|0,1,0]=3 8326 B14R1.5 COC(=O)C=Cc1ccc(cc1)OC 34a_100000151162_200000210301 [0,0,0,0,0,2|0,0,0]=2 8327 B14R1.5 COC(=O)C=Cc1ccc(cc1)O[13CH3] 34a_100000151162_200025704644 [0,0,0,0,0,2|0,0,0]=2 8328 B14R1.5 COC(=O)CCc1ccc(cc1)OC 34a_100000032826_200000210301 [0,0,0,0,0,2|0,0,0]=2 8329 B14R1.5 COC(=O)CCc1ccc(cc1)OC 7a_100000032826_200000210301 [0,0,0,0,0,2|0,0,0]=2 8330 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000032826_200025704644 [0,0,0,0,0,2|0,0,0]=2 8331 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000032826_200025704644 [0,0,0,0,0,2|0,0,0]=2 8332 B14R1.5 COC(=O)CCc1ccc(cc1)SC 62a_100012357364_200000210301 [0,0,0,0,0,2|0,1,0]=3 8333 B14R1.5 COC(=O)CCc1ccc(cc1)SC 62a_200000210301_100012357364 [0,0,0,0,0,2|0,1,0]=3 8334 B14R1.5 COC(=O)CCc1ccc(cc1)S[13CH3] 62a_100012357364_200025704644 [0,0,0,0,0,2|0,1,0]=3 8335 B14R1.5 COC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100012357364 [0,0,0,0,0,2|0,1,0]=3 8336 B14R1.5 COC(=O)CNc1ccc(cc1)C#N 34a_100000185469_100000747449 [0,0,0,0,0,2|2,0,0]=4 8337 B14R1.5 COC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747449 [0,0,0,0,0,2|2,0,0]=4 8338 B14R1.5 COC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000747449 [0,0,0,0,0,2|2,0,0]=4 8339 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000747449 [0,0,0,0,0,2|0,0,0]=2 8340 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100016989482_200000210301 [0,0,0,0,0,2|0,0,0]=2 8341 B14R1.5 COC(=O)CNc1ccc(cc1)O[13CH3] 34a_100016989482_200025704644 [0,0,0,0,0,2|0,0,0]=2 8342 B14R1.5 COC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000747449 [0,0,0,0,0,2|0,1,0]=3 8343 B14R1.5 COC(=O)COc1ccc(cc1)C#N 34a_100000210344_100000747449 [0,0,0,0,0,2|2,0,0]=4 8344 B14R1.5 COC(=O)COc1ccc(cc1)C#N 7a_100000210344_100000747449 [0,0,0,0,0,2|2,0,0]=4 8345 B14R1.5 COC(=O)COc1ccc(cc1)CN 34a_100000185549_100000747449 [0,0,0,0,0,2|2,0,0]=4 8346 B14R1.5 COC(=O)COc1ccc(cc1)CO 34a_100000211755_100000747449 [0,0,0,0,0,2|2,0,0]=4 8347 B14R1.5 COC(=O)COc1ccc(cc1)OC 34a_100000210503_100000747449 [0,0,0,0,0,2|0,0,0]=2 8348 B14R1.5 COC(=O)COc1ccc(cc1)SC 34a_100000211864_100000747449 [0,0,0,0,0,2|0,1,0]=3 8349 B14R1.5 COC(=O)COc1ccc(cc1)SC 62a_100000149925_200000210301 [0,0,0,0,0,2|0,1,0]=3 8350 B14R1.5 COC(=O)COc1ccc(cc1)SC 62a_200000210301_100000149925 [0,0,0,0,0,2|0,1,0]=3 8351 B14R1.5 COC(=O)COc1ccc(cc1)S[13CH3] 62a_100000149925_200025704644 [0,0,0,0,0,2|0,1,0]=3 8352 B14R1.5 COC(=O)COc1ccc(cc1)S[13CH3] 62a_200025704644_100000149925 [0,0,0,0,0,2|0,1,0]=3 8353 B14R1.5 COC(=O)COc1ccc(cn1)OC 34a_100012002028_100000747449 [0,0,0,0,0,2|1,0,0]=3 8354 B14R1.5 COC(=O)COc1ccc(nc1)OC 34a_100011934560_100000747449 [0,0,0,0,0,2|1,0,0]=3 8355 B14R1.5 COC(=O)COc1ccc(nc1)SC 62a_100010870986_200000210301 [0,0,0,0,0,2|1,1,0]=4 8356 B14R1.5 COC(=O)COc1ccc(nc1)SC 62a_200000210301_100010870986 [0,0,0,0,0,2|1,1,0]=4 8357 B14R1.5 COC(=O)COc1ccc(nc1)S[13CH3] 62a_100010870986_200025704644 [0,0,0,0,0,2|1,1,0]=4 8358 B14R1.5 COC(=O)COc1ccc(nc1)S[13CH3] 62a_200025704644_100010870986 [0,0,0,0,0,2|1,1,0]=4 8359 B14R1.5 COC(=O)COc1cnc(nc1)OC 34a_100000099601_100000747449 [0,0,0,0,0,2|2,0,0]=4 8360 B14R1.5 COC(=O)COc1cnc(nc1)OC 7a_100000099601_100000747449 [0,0,0,0,0,2|2,0,0]=4 8361 B14R1.5 COC(=O)CSc1ccc(cc1)C#N 62a_100000747449_100000184291 [0,0,0,0,0,2|2,0,0]=4 8362 B14R1.5 COC(=O)CSc1ccc(cc1)C=O 62a_100000188517_100000747449 [0,0,0,0,0,2|2,0,0]=4 8363 B14R1.5 COC(=O)CSc1ccc(cc1)C=O 62a_100000747449_100000188517 [0,0,0,0,0,2|2,0,0]=4 8364 B14R1.5 COC(=O)CSc1ccc(cc1)CF 62a_100000747449_100010268989 [0,0,0,0,0,2|2,0,0]=4 8365 B14R1.5 COC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000747449 [0,0,0,0,0,2|2,0,0]=4 8366 B14R1.5 COC(=O)CSc1ccc(cc1)CN 62a_100000747449_100016989417 [0,0,0,0,0,2|2,0,0]=4 8367 B14R1.5 COC(=O)CSc1ccc(cc1)CN 62a_100016989417_100000747449 [0,0,0,0,0,2|2,0,0]=4 8368 B14R1.5 COC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747449 [0,0,0,0,0,2|2,0,0]=4 8369 B14R1.5 COC(=O)CSc1ccc(cc1)CO 62a_100000747449_100000690907 [0,0,0,0,0,2|2,0,0]=4 8370 B14R1.5 COC(=O)CSc1ccc(cc1)NN 62a_100000747449_100016988836 [0,0,0,0,0,2|2,0,0]=4 8371 B14R1.5 COC(=O)CSc1ccc(cc1)NN 62a_100016988836_100000747449 [0,0,0,0,0,2|2,0,0]=4 8372 B14R1.5 COC(=O)CSc1ccc(cc1)OC 62a_100000747449_100000171711 [0,0,0,0,0,2|0,0,0]=2 8373 B14R1.5 COC(=O)CSc1ccc(cc1)SC 62a_100000747449_100011263217 [0,0,0,0,0,2|0,1,0]=3 8374 B14R1.5 COC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000747449 [0,0,0,0,0,2|0,1,0]=3 8375 B14R1.5 COC(=O)CSc1ccc(cn1)OC 62a_100000747449_100000744180 [0,0,0,0,0,2|1,0,0]=3 8376 B14R1.5 COC(=O)CSc1ccc(cn1)OC 62a_100000755202_100000747449 [0,0,0,0,0,2|1,0,0]=3 8377 B14R1.5 COC(=O)CSc1ccc(cn1)SC 62a_100000747449_100009820866 [0,0,0,0,0,2|1,1,0]=4 8378 B14R1.5 COC(=O)CSc1ccc(cn1)SC 62a_100009820866_100000747449 [0,0,0,0,0,2|1,1,0]=4 8379 B14R1.5 COC(=O)CSc1ccc(nc1)OC 62a_100000047065_100000747449 [0,0,0,0,0,2|1,0,0]=3 8380 B14R1.5 COC(=O)CSc1ccc(nc1)OC 62a_100000747449_100000047065 [0,0,0,0,0,2|1,0,0]=3 8381 B14R1.5 COC(=O)CSc1ccc(nc1)SC 62a_100000747449_100011408404 [0,0,0,0,0,2|1,1,0]=4 8382 B14R1.5 COC(=O)CSc1ccc(nc1)SC 62a_100011408404_100000747449 [0,0,0,0,0,2|1,1,0]=4 8383 B14R1.5 COC(=O)CSc1ccc(nn1)OC 62a_100000747449_100009819040 [0,0,0,0,0,2|2,0,0]=4 8384 B14R1.5 COC(=O)CSc1ccc(nn1)OC 62a_100009819040_100000747449 [0,0,0,0,0,2|2,0,0]=4 8385 B14R1.5 COC(=O)CSc1cnc(cn1)OC 62a_100000747449_100011998698 [0,0,0,0,0,2|2,0,0]=4 8386 B14R1.5 COC(=O)CSc1cnc(cn1)OC 62a_100011998698_100000747449 [0,0,0,0,0,2|2,0,0]=4 8387 B14R1.5 COC(=O)CSc1cnc(nc1)OC 62a_100000686852_100000747449 [0,0,0,0,0,2|2,0,0]=4 8388 B14R1.5 COC(=O)CSc1cnc(nc1)OC 62a_100000747449_100000686852 [0,0,0,0,0,2|2,0,0]=4 8389 B14R1.5 COC(=O)CSc1ncc(cn1)OC 62a_100000069167_100000747449 [0,0,0,0,0,2|2,0,0]=4 8390 B14R1.5 COC(=O)CSc1ncc(cn1)OC 62a_100000747449_100000069167 [0,0,0,0,0,2|2,0,0]=4 8391 B14R1.5 COc1ccc(cc1)C#CC(=O)CF 1458a_100000185621_100015361967 [0,0,0,0,0,2|2,0,0]=4 8392 B14R1.5 COc1ccc(cc1)C=CC(=O)CF 1458a_100000184205_100015361967 [0,0,0,0,0,2|2,0,0]=4 8393 B14R1.5 COc1ccc(cc1)CCC(=O)CF 1458a_100000211712_100015361967 [0,0,0,0,0,2|2,0,0]=4 8394 B14R1.5 COc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100000184700 [0,0,0,0,0,2|2,0,0]=4 8395 B14R1.5 COc1ccc(cc1)CCC(=O)NN 34a_100000048474_200000210301 [0,0,0,0,0,2|2,0,0]=4 8396 B14R1.5 COc1ccc(cc1)CCC(C)OC 34a_200000246499_200000210301 [0,0,0,0,0,2|1,0,1]=4 8397 B14R1.5 COc1ccc(cc1)CCC(C)OC 7a_200000246499_200000210301 [0,0,0,0,0,2|1,0,1]=4 8398 B14R1.5 COc1ccc(cc1)CCC(C)O[13CH3] 34a_200000246499_200025704644 [0,0,0,0,0,2|1,0,1]=4 8399 B14R1.5 COc1ccc(cc1)CCC(C)O[13CH3] 7a_200000246499_200025704644 [0,0,0,0,0,2|1,0,1]=4 8400 B14R1.5 COc1ccc(cc1)CNC(=O)CO 240690a_100000185587_100000210174 [0,0,0,0,0,2|2,0,0]=4 8401 B14R1.5 COc1ccc(cc1)CNC(=O)CO 527a_100000185587_100000210174 [0,0,0,0,0,2|2,0,0]=4 8402 B14R1.5 COc1ccc(cc1)CSC(C)OC 62a_100009879195_100000742318 [0,0,0,0,0,2|1,0,1]=4 8403 B14R1.5 COc1ccc(cc1)NNC(=O)CO 22a_100000005221_100000210174 [0,0,0,0,0,2|2,0,0]=4 8404 B14R1.5 COc1ccc(cc1)OCC(=O)CF 1458a_100000186439_100015361967 [0,0,0,0,0,2|2,0,0]=4 8405 B14R1.5 COc1ccc(cc1)OCC(C)OC 34a_200011216264_200000210301 [0,0,0,0,0,2|1,0,1]=4 8406 B14R1.5 COc1ccc(cc1)OCC(C)OC 7a_200011216264_200000210301 [0,0,0,0,0,2|1,0,1]=4 8407 B14R1.5 COc1ccc(cc1)OCC(C)O[13CH3] 34a_200011216264_200025704644 [0,0,0,0,0,2|1,0,1]=4 8408 B14R1.5 COc1ccc(cc1)OCC(C)O[13CH3] 7a_200011216264_200025704644 [0,0,0,0,0,2|1,0,1]=4 8409 B14R1.5 COc1ccc(cc1)SCC(=O)CF 1458a_100000182033_100015361967 [0,0,0,0,0,2|2,0,0]=4 8410 B14R1.5 [13CH3]Oc1ccc(cc1)CCC(=O)NN 34a_100000048474_200025704644 [0,0,0,0,0,2|2,0,0]=4