0 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,0,0,0,0,0|1,0,1]=2 7 B12R1.4 C#Cc1ccc(cc1)NC(C)C 34a_100011215031_100000210206 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,0,0,0,0,0|1,0,1]=2 14 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,0,0,0,0,0|1,0,1]=2 15 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,0,0,0,0,0|1,0,1]=2 16 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.4 C=Cc1ccc(cc1)NC(C)C 271570a_100011290941_100000219625 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.4 C=Cc1ccc(cc1)NC(C)C 34a_100011218248_100000210206 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.4 C=Cc1ccc(cc1)OC(=S)C 271570a_100011290941_200009816735 [0,0,0,0,0,0|2,1,1]=4 21 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.4 C=Cc1ccc(cn1)NC(=O)C 271570a_100011290941_100011934715 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.4 C=Cc1ccc(nc1)NC(=O)C 271570a_100011290941_100000193312 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.4 C=Cc1ccc(nn1)NC(=O)C 271570a_100011290941_100011804224 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.4 C=Cc1cnc(nc1)NC(=O)C 271570a_100011290941_100010141023 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.4 CC(=Cc1ccc(cc1)C#N)C 271570a_100102525489_100000179745 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.4 CC(=Cc1ccc(cc1)C=O)C 271570a_100102525489_100000186029 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.4 CC(=Cc1ccc(cc1)NN)C 271570a_100102525489_100016988836 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,0,0,0,0,0|1,0,0]=1 38 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,0,0,0,0,0|1,0,0]=1 39 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,0,0,0,0,0|1,1,0]=2 40 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,0,0,0,0,0|1,1,0]=2 41 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.4 CC(=O)Cc1ccc(nc1)C#N 1458a_100000070787_100009816919 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,0,0,0,0,0|2,0,0]=2 45 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,0,0,0,0,0|2,0,0]=2 46 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,0,0,0,0,0|1,0,0]=1 47 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,0,0,0,0,0|0,0,0]=0 48 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,0,0,0,0,0|0,0,0]=0 49 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,0,0,0,0,0|0,1,0]=1 50 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,0,0,0,0,0|1,0,0]=1 51 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,0,0,0,0,0|1,0,0]=1 52 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,0,0,0,0,0|1,1,0]=2 53 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [0,0,0,0,0,0|1,1,0]=2 54 B12R1.4 CC(=O)Nc1ccc(nn1)S[13CH3] 62a_200025704644_100011804224 [0,0,0,0,0,0|2,1,0]=3 55 B12R1.4 CC(=O)Nc1cnc(nc1)S[13CH3] 62a_200025704644_200010565192 [0,0,0,0,0,0|2,1,0]=3 56 B12R1.4 CC(=O)Nc1ncc(cn1)S[13CH3] 62a_100010141023_200025704644 [0,0,0,0,0,0|2,1,0]=3 57 B12R1.4 CC(=O)Nc1ncc(cn1)S[13CH3] 62a_200025704644_100010141023 [0,0,0,0,0,0|2,1,0]=3 58 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,0,0,0,0,0|1,1,0]=2 59 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,0,0,0,0,0|1,1,0]=2 60 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,0,0,0,0,0|1,2,0]=3 61 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,0,0,0,0,0|2,1,1]=4 64 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,0,0,0,0,0|2,1,1]=4 65 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a_100000185469_100000210206 [0,0,0,0,0,0|3,0,1]=4 66 B12R1.4 CC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000210206 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.4 CC(C)Nc1ccc(cc1)CO 34a_100011215238_100000210206 [0,0,0,0,0,0|3,0,1]=4 68 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_100000219625_200025704644 [0,0,0,0,0,0|1,1,1]=3 69 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000219625 [0,0,0,0,0,0|1,1,1]=3 70 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,0,0,0,0,0|2,0,1]=3 73 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,0,0,0,0,0|2,0,1]=3 74 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [0,0,0,0,0,0|2,1,1]=4 75 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [0,0,0,0,0,0|2,1,1]=4 76 B12R1.4 CC(C)Oc1ccc(cn1)O[13CH3] 34a_100009858630_200025704644 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_100009811894_200025704644 [0,0,0,0,0,0|2,1,1]=4 78 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_100009811894 [0,0,0,0,0,0|2,1,1]=4 79 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,0,0,0,0,0|3,0,0]=3 81 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,0,0,0,0,0|2,0,0]=2 82 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,0,0,0,0,0|4,0,0]=4 88 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,0,0,0,0,0|1,0,0]=1 92 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,0,0,0,0,0|1,0,0]=1 93 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,0,0,0,0,0|1,0,0]=1 94 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,0,0,0,0,0|1,0,0]=1 95 B12R1.4 CCc1ccc(cc1)NC(C)C 2230a_100000211069_100000210206 [0,0,0,0,0,0|2,0,1]=3 96 B12R1.4 CCc1ccc(cc1)NC(C)C 34a_100000211069_100000210206 [0,0,0,0,0,0|2,0,1]=3 97 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [0,0,0,0,0,0|3,0,1]=4 98 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [0,0,0,0,0,0|3,0,1]=4 99 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100000210206_100011215824 [0,0,0,0,0,0|3,0,1]=4 100 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100011215824_100000210206 [0,0,0,0,0,0|3,0,1]=4 101 B12R1.4 CCc1ccc(cn1)C=C(C)C 271570a_100102525489_100009820025 [0,0,0,0,0,0|4,0,0]=4 102 B12R1.4 CCc1ccc(nc1)C=C(C)C 271570a_100102525489_100009843584 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,0,0,0,0,0|3,1,0]=4 104 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,0,0,0,0,0|3,1,0]=4 105 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,0,0,0,0,0|3,0,0]=3 106 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,0,0,0,0,0|3,0,1]=4 110 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,0,0,0,0,0|1,0,0]=1 111 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [0,0,0,0,0,0|3,0,1]=4 113 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000210206_100000743151 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000743151_100000210206 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.4 CNc1ccc(cn1)C=C(C)C 271570a_100102525489_100000741341 [0,0,0,0,0,0|4,0,0]=4 117 B12R1.4 CNc1ccc(nc1)C=C(C)C 271570a_100102525489_100000764248 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,0,0,0,0,0|2,0,0]=2 119 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,0,0,0,0,0|1,0,0]=1 120 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,0,0,0,0,0|1,0,0]=1 121 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,0,0,0,0,0|1,0,0]=1 122 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,0,0,0,0,0|1,0,0]=1 124 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,0,0,0,0,0|2,0,1]=3 125 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,0,0,0,0,0|3,0,0]=3 126 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,0,0,0,0,0|3,0,0]=3 127 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,0,0,0,0,0|3,0,0]=3 128 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,0,0,0,0,0|3,0,0]=3 129 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,0,0,0,0,0|3,0,0]=3 130 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,0,0,0,0,0|3,0,0]=3 131 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,0,0,0,0,0|3,0,0]=3 132 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,0,0,0,0,0|0,0,0]=0 133 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,0,0,0,0,0|0,0,0]=0 134 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,0,0,0,0,0|0,0,0]=0 135 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,0,0,0,0,0|0,0,0]=0 136 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,0,0,0,0,0|0,0,0]=0 137 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,0,0,0,0,0|0,0,0]=0 138 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,0,0,0,0,0|1,0,1]=2 139 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,0,0,0,0,0|2,0,1]=3 140 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,0,0,0,0,0|2,0,1]=3 141 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,0,0,0,0,0|2,0,1]=3 142 B12R1.4 COc1ccc(cc1)OC(F)F 34a_100011217645_200000210301 [0,0,0,0,0,0|3,0,1]=4 143 B12R1.4 COc1ccc(cc1)OC(F)F 7a_100011217645_200000210301 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,0,0,0,0,0|2,0,1]=3 145 B12R1.4 COc1ccc(cn1)C=C(C)C 271570a_100102525489_100000047065 [0,0,0,0,0,0|3,0,0]=3 146 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,0,0,0,0,0|2,0,0]=2 147 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,0,0,0,0,0|2,0,0]=2 148 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,0,0,0,0,0|2,0,0]=2 149 B12R1.4 COc1ccc(cn1)CN(C)C 2230a_100102631434_100020631284 [0,0,0,0,0,0|4,0,0]=4 150 B12R1.4 COc1ccc(cn1)CN(C)C 269982a_100102631434_100020631284 [0,0,0,0,0,0|4,0,0]=4 151 B12R1.4 COc1ccc(cn1)CN(C)C 270004a_100102631434_100000761633 [0,0,0,0,0,0|4,0,0]=4 152 B12R1.4 COc1ccc(cn1)OC(C)C 34a_100011934560_100000210206 [0,0,0,0,0,0|3,0,1]=4 153 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000047065_100000210206 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000210206_100000047065 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [0,0,0,0,0,0|3,0,0]=3 156 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,0,0,0,0,0|2,0,0]=2 157 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,0,0,0,0,0|2,0,0]=2 158 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,0,0,0,0,0|2,0,0]=2 159 B12R1.4 COc1ccc(nc1)CN(C)C 2230a_100102631434_200000757186 [0,0,0,0,0,0|4,0,0]=4 160 B12R1.4 COc1ccc(nc1)CN(C)C 269982a_100102631434_200000757186 [0,0,0,0,0,0|4,0,0]=4 161 B12R1.4 COc1ccc(nc1)CN(C)C 270004a_100102631434_100000701244 [0,0,0,0,0,0|4,0,0]=4 162 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,0,0,0,0,0|1,0,0]=1 163 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,0,0,0,0,0|1,0,0]=1 164 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100009858630_200000210301 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100012002028_100000210206 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000210206_100000744180 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000755202_100000210206 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.4 COc1ccc(nn1)C=C(C)C 271570a_100102525489_100009819040 [0,0,0,0,0,0|4,0,0]=4 169 B12R1.4 COc1ccc(nn1)NC(C)C 27a_100138425928_100010231723 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.4 COc1cnc(cn1)C=C(C)C 271570a_100102525489_100011998698 [0,0,0,0,0,0|4,0,0]=4 171 B12R1.4 COc1cnc(nc1)C=C(C)C 271570a_100102525489_100000069167 [0,0,0,0,0,0|4,0,0]=4 172 B12R1.4 COc1cnc(nc1)NC(C)C 27a_100138425928_100000069167 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.4 COc1ncc(cn1)C=C(C)C 271570a_100102525489_100000686852 [0,0,0,0,0,0|4,0,0]=4 174 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200000210301_200013992848 [0,0,0,0,0,0|3,1,0]=4 175 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200013992848_200000210301 [0,0,0,0,0,0|3,1,0]=4 176 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,0,0,0,0,0|2,1,0]=3 177 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200000210301_200009816947 [0,0,0,0,0,0|3,1,0]=4 178 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200009816947_200000210301 [0,0,0,0,0,0|3,1,0]=4 179 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,0,0,0,0,0|1,1,0]=2 180 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,0,0,0,0,0|1,1,0]=2 181 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,0,0,0,0,0|1,1,0]=2 182 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,0,0,0,0,0|1,1,0]=2 183 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,0,0,0,0,0|2,1,0]=3 184 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,0,0,0,0,0|2,1,0]=3 185 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,0,0,0,0,0|1,1,0]=2 186 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,0,0,0,0,0|2,1,1]=4 187 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,0,0,0,0,0|2,1,1]=4 188 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,0,0,0,0,0|3,1,0]=4 189 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,0,0,0,0,0|3,1,0]=4 190 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,0,0,0,0,0|3,1,0]=4 191 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,0,0,0,0,0|3,1,0]=4 192 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,0,0,0,0,0|3,1,0]=4 193 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,0,0,0,0,0|3,1,0]=4 194 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,0,0,0,0,0|3,1,0]=4 195 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,0,0,0,0,0|3,1,0]=4 196 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,0,0,0,0,0|3,1,0]=4 197 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,0,0,0,0,0|0,1,0]=1 198 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,0,0,0,0,0|0,1,0]=1 199 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,0,0,0,0,0|0,1,0]=1 200 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,0,0,0,0,0|0,1,0]=1 201 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,0,0,0,0,0|1,1,0]=2 202 B12R1.4 CSc1ccc(cc1)NC(C)C 34a_100000212337_100000210206 [0,0,0,0,0,0|1,1,1]=3 203 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_100000219625_200000210301 [0,0,0,0,0,0|1,1,1]=3 204 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_200000210301_100000219625 [0,0,0,0,0,0|1,1,1]=3 205 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,0,0,0,0,0|1,1,0]=2 206 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,0,0,0,0,0|1,2,0]=3 207 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [0,0,0,0,0,0|2,1,1]=4 208 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [0,0,0,0,0,0|2,1,1]=4 209 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [0,0,0,0,0,0|2,1,1]=4 210 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,0,0,0,0,0|1,1,0]=2 211 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100000210206_100011263217 [0,0,0,0,0,0|2,1,1]=4 212 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100009811894_200000210301 [0,0,0,0,0,0|2,1,1]=4 213 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100011263217_100000210206 [0,0,0,0,0,0|2,1,1]=4 214 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_200000210301_100009811894 [0,0,0,0,0,0|2,1,1]=4 215 B12R1.4 CSc1ccc(cn1)C=C(C)C 271570a_100102525489_100011408404 [0,0,0,0,0,0|3,1,0]=4 216 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,0,0,0,0,0|3,1,0]=4 217 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,0,0,0,0,0|3,1,0]=4 218 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [0,0,0,0,0,0|1,1,0]=2 219 B12R1.4 CSc1ccc(nc1)C=C(C)C 271570a_100102525489_100009820866 [0,0,0,0,0,0|3,1,0]=4 220 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,0,0,0,0,0|3,1,0]=4 221 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,0,0,0,0,0|3,1,0]=4 222 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,0,0,0,0,0|1,1,0]=2 223 B12R1.4 CSc1ccc(nc1)NC(C)C 27a_100138425928_100009820866 [0,0,0,0,0,0|2,1,1]=4 224 B12R1.4 CSc1ccc(nn1)NC(=O)C 62a_200000210301_100011804224 [0,0,0,0,0,0|2,1,0]=3 225 B12R1.4 CSc1cnc(nc1)NC(=O)C 62a_100010141023_200000210301 [0,0,0,0,0,0|2,1,0]=3 226 B12R1.4 CSc1cnc(nc1)NC(=O)C 62a_200000210301_100010141023 [0,0,0,0,0,0|2,1,0]=3 227 B12R1.4 CSc1ncc(cn1)NC(=O)C 62a_200000210301_200010565192 [0,0,0,0,0,0|2,1,0]=3 228 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,0,0,0,0,0|3,0,0]=3 229 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,0,0,0,0,0|3,0,0]=3 230 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,0,0,0,0,0|3,0,0]=3 231 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,0,0,0,0,0|3,0,0]=3 232 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,0,0,0,0,0|2,0,0]=2 233 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 34a_100011217645_200025704644 [0,0,0,0,0,0|3,0,1]=4 234 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 7a_100011217645_200025704644 [0,0,0,0,0,0|3,0,1]=4 235 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200013992848_200025704644 [0,0,0,0,0,0|3,1,0]=4 236 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200025704644_200013992848 [0,0,0,0,0,0|3,1,0]=4 237 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200009816947_200025704644 [0,0,0,0,0,0|3,1,0]=4 238 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200025704644_200009816947 [0,0,0,0,0,0|3,1,0]=4 239 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,0,0,0,0,0|2,1,0]=3 240 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,0,0,0,0,0|2,1,0]=3 241 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,0,0,0,0,0|1,1,0]=2 242 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,0,0,0,0,0|3,1,0]=4 243 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,0,0,0,0,0|3,1,0]=4 244 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,0,0,0,0,0|3,1,0]=4 245 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,0,0,0,0,0|3,1,0]=4 246 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,0,0,0,0,0|2,0,0]=3 248 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,0,0,0,0,0|3,0,0]=4 251 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [1,0,0,0,0,0|3,0,0]=4 253 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,0|2,0,0]=3 256 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,0|2,0,0]=3 257 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,0|1,0,0]=2 258 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,0|1,0,0]=2 259 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,0|2,0,0]=3 260 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,0|2,0,0]=3 261 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,0|2,0,0]=3 263 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,0|2,0,0]=3 264 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,0|2,0,0]=3 265 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,0|1,0,0]=2 266 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,0|1,0,0]=2 267 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,0,0,0,0,0|2,0,0]=3 270 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,0,0,0,0,0|2,0,0]=3 271 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,0,0,0,0,0|2,0,0]=3 277 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,0,0,0,0,0|2,0,0]=3 278 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,0,0,0,0,0|2,0,1]=4 284 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,0|1,0,0]=2 285 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,0|1,0,0]=2 286 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,0|1,0,0]=2 287 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,0|1,0,0]=2 288 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,0|0,0,0]=1 289 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,0|0,0,0]=1 290 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,0|0,0,0]=1 291 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,0|0,0,0]=1 292 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,0|1,0,0]=2 293 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,0|1,0,0]=2 294 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,0|1,0,0]=2 295 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,0|1,0,0]=2 296 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,0|1,0,0]=2 297 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,0|1,0,0]=2 298 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,0|1,0,0]=2 299 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,0|1,0,0]=2 300 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,0|1,0,0]=2 301 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,0|1,0,0]=2 302 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,0|1,0,0]=2 303 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,0|1,0,0]=2 304 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,0|0,0,0]=1 305 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,0|0,0,0]=1 306 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,0,0,0,0,0|1,0,0]=2 307 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,0,0,0,0,0|1,0,0]=2 308 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [1,0,0,0,0,0|2,0,0]=3 309 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [1,0,0,0,0,0|2,0,0]=3 310 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,0|1,0,0]=2 311 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,0|1,0,0]=2 312 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,0|1,1,0]=3 313 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,0,0,0,0,0|2,0,1]=4 314 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,0,0,0,0,0|2,0,1]=4 318 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,0,0,0,0,0|2,0,1]=4 319 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,0,0,0,0,0|2,0,1]=4 320 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,0,0,0,0,0|1,0,1]=3 321 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,0,0,0,0,0|1,0,1]=3 322 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,0,0,0,0,0|2,0,1]=4 323 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,0,0,0,0,0|2,0,1]=4 324 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,0,0,0,0,0|2,0,1]=4 325 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,0|1,0,0]=2 331 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,0,0,0,0,0|3,0,0]=4 332 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,0,0,0,0,0|3,0,0]=4 333 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,0,0,0,0,0|3,0,0]=4 336 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,0,0,0,0,0|3,0,0]=4 338 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,0,0,0,0,0|3,0,0]=4 339 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,0,0,0,0,0|1,0,1]=3 341 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,0,0,0,0,0|2,0,1]=4 342 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,0,0,0,0,0|2,0,1]=4 343 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,0,0,0,0,0|2,0,1]=4 344 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,0,0,0,0,0|2,0,1]=4 345 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,0,0,0,0,0|2,0,0]=3 346 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,0,0,0,0,0|2,0,0]=3 347 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,0,0,0,0,0|3,0,0]=4 349 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,0,0,0,0,0|3,0,0]=4 350 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,0|1,0,0]=2 351 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,0,0|3,0,0]=4 352 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,0,0|3,0,0]=4 353 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,0|2,0,0]=3 354 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,0|2,0,0]=3 355 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,0|2,0,0]=3 356 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,0|2,0,0]=3 357 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,0|1,0,0]=2 358 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,0,0,0,0,0|3,0,0]=4 360 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,0,0,0,0,0|2,0,1]=4 363 B11R1.83 C#Cc1ccc(cc1)NCC 34a_100011215031_100000210202 [1,0,0,0,0,0|1,0,2]=4 364 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,0,0,0,0,0|1,1,0]=3 365 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,0,0,0,0,0|1,1,0]=3 366 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,0,0,0,0,0|1,1,0]=3 367 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,0,0,0,0,0|1,1,0]=3 368 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,0,0,0,0,0|1,0,2]=4 369 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,0,0,0,0,0|1,0,1]=3 370 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,0,0,0,0,0|1,0,1]=3 371 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,0,0,0,0,0|1,0,1]=3 372 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,0,0,0,0,0|1,0,1]=3 373 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,0,0,0,0,0|1,1,1]=4 374 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,0,0,0,0,0|1,1,1]=4 375 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,0,0,0,0,0|1,1,1]=4 376 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,0,0,0,0,0|1,1,1]=4 377 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [1,0,0,0,0,0|2,0,1]=4 378 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,0,0,0,0,0|2,0,1]=4 379 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,0,0,0,0,0|1,0,2]=4 380 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,0,0,0,0,0|1,0,2]=4 381 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,0,0,0,0,0|3,0,0]=4 383 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,0,0,0,0,0|2,0,0]=3 384 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [1,0,0,0,0,0|3,0,0]=4 386 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,0,0,0,0,0|3,0,0]=4 387 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,0,0,0,0,0|2,0,0]=3 388 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [1,0,0,0,0,0|3,0,0]=4 389 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,0,0,0,0,0|1,0,0]=2 390 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,0,0,0,0,0|1,1,0]=3 391 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [1,0,0,0,0,0|3,0,0]=4 392 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [1,0,0,0,0,0|2,0,0]=3 394 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [1,0,0,0,0,0|2,1,0]=4 395 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [1,0,0,0,0,0|2,0,0]=3 398 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [1,0,0,0,0,0|2,1,0]=4 399 B11R1.83 CC=Cc1ccc(nn1)OC 271570a_100016259895_100009819040 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.83 CC=Cc1cnc(cn1)OC 271570a_100016259895_100011998698 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.83 CC=Cc1cnc(nc1)OC 271570a_100016259895_100000686852 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.83 CC=Cc1ncc(cn1)OC 271570a_100016259895_100000069167 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [1,0,0,0,0,0|2,0,1]=4 404 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [1,0,0,0,0,0|2,0,1]=4 405 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [1,0,0,0,0,0|2,0,1]=4 407 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,0,0,0,0,0|1,0,1]=3 408 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,0,0,0,0,0|1,0,1]=3 409 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,0,0,0,0,0|1,0,1]=3 410 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,0,0,0,0,0|1,0,1]=3 411 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [1,0,0,0,0,0|1,1,1]=4 412 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [1,0,0,0,0,0|1,1,1]=4 413 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [1,0,0,0,0,0|1,1,1]=4 414 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [1,0,0,0,0,0|1,1,1]=4 415 B11R1.83 CCNc1ccc(cc1)C#N 34a_100000185469_100000210202 [1,0,0,0,0,0|2,0,1]=4 416 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [1,0,0,0,0,0|1,0,1]=3 417 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [1,0,0,0,0,0|1,0,1]=3 418 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [1,0,0,0,0,0|2,0,1]=4 419 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [1,0,0,0,0,0|2,0,1]=4 420 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,0,0,0,0,0|0,0,1]=2 421 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,0,0,0,0,0|0,0,1]=2 422 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,0,0,0,0,0|0,0,1]=2 423 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,0,0,0,0,0|0,0,1]=2 424 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,0,0,0,0,0|0,0,1]=2 425 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [1,0,0,0,0,0|0,1,1]=3 426 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [1,0,0,0,0,0|0,1,1]=3 427 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [1,0,0,0,0,0|0,1,1]=3 428 B11R1.83 CCNc1ccc(cn1)SC 27a_100015525214_100009820866 [1,0,0,0,0,0|1,1,1]=4 429 B11R1.83 CCNc1ccc(cn1)SC 62a_100000741496_200000210301 [1,0,0,0,0,0|1,1,1]=4 430 B11R1.83 CCNc1ccc(cn1)SC 62a_200000210301_100000741496 [1,0,0,0,0,0|1,1,1]=4 431 B11R1.83 CCNc1ccc(cn1)S[13CH3] 62a_100000741496_200025704644 [1,0,0,0,0,0|1,1,1]=4 432 B11R1.83 CCNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741496 [1,0,0,0,0,0|1,1,1]=4 433 B11R1.83 CCNc1ccc(nn1)OC 27a_100015525214_100010231723 [1,0,0,0,0,0|2,0,1]=4 434 B11R1.83 CCNc1ncc(cn1)OC 27a_100015525214_100000069167 [1,0,0,0,0,0|2,0,1]=4 435 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,0,0,0,0,0|2,0,1]=4 436 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,0,0,0,0,0|2,0,1]=4 437 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,0,0,0,0,0|2,0,1]=4 438 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,0,0,0,0,0|2,0,1]=4 439 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,0,0,0,0,0|2,0,1]=4 440 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,0,0,0,0,0|2,0,1]=4 441 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,0,0,0,0,0|2,0,1]=4 442 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,0,0,0,0,0|1,0,1]=3 443 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,0,0,0,0,0|1,0,1]=3 444 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,0,0,0,0,0|1,0,1]=3 445 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,0,0,0,0,0|1,1,1]=4 446 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,0,0,0,0,0|1,1,1]=4 447 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,0,0,0,0,0|1,1,1]=4 448 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [1,0,0,0,0,0|2,0,1]=4 449 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [1,0,0,0,0,0|2,0,1]=4 450 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [1,0,0,0,0,0|2,0,1]=4 451 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [1,0,0,0,0,0|2,0,1]=4 452 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [1,0,0,0,0,0|2,0,1]=4 453 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [1,0,0,0,0,0|2,0,1]=4 454 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [1,0,0,0,0,0|2,0,1]=4 455 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [1,0,0,0,0,0|2,0,1]=4 456 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,0,0,0,0,0|1,0,1]=3 457 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [1,0,0,0,0,0|1,1,1]=4 458 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [1,0,0,0,0,0|1,1,1]=4 459 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [1,0,0,0,0,0|1,1,1]=4 460 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [1,0,0,0,0,0|1,1,1]=4 461 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [1,0,0,0,0,0|1,1,1]=4 462 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [1,0,0,0,0,0|1,1,1]=4 463 B11R1.83 CCSc1ccc(cn1)OC 62a_100000210202_100000744180 [1,0,0,0,0,0|2,0,1]=4 464 B11R1.83 CCSc1ccc(cn1)OC 62a_100000755202_100000210202 [1,0,0,0,0,0|2,0,1]=4 465 B11R1.83 CCSc1ccc(nc1)OC 62a_100000047065_100000210202 [1,0,0,0,0,0|2,0,1]=4 466 B11R1.83 CCSc1ccc(nc1)OC 62a_100000210202_100000047065 [1,0,0,0,0,0|2,0,1]=4 467 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [1,0,0,0,0,0|3,0,0]=4 468 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [1,0,0,0,0,0|3,0,0]=4 469 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [1,0,0,0,0,0|3,0,0]=4 470 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [1,0,0,0,0,0|3,0,0]=4 471 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [1,0,0,0,0,0|3,0,0]=4 472 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [1,0,0,0,0,0|3,0,0]=4 473 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [1,0,0,0,0,0|3,0,0]=4 474 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [1,0,0,0,0,0|3,0,0]=4 475 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [1,0,0,0,0,0|3,0,0]=4 476 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [1,0,0,0,0,0|3,0,0]=4 477 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,0,0,0,0,0|3,0,0]=4 478 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,0,0,0,0,0|3,0,0]=4 479 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,0,0,0,0,0|3,0,0]=4 481 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,0,0,0,0,0|3,0,0]=4 482 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [1,0,0,0,0,0|3,0,0]=4 483 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [1,0,0,0,0,0|3,0,0]=4 484 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [1,0,0,0,0,0|3,0,0]=4 485 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [1,0,0,0,0,0|3,0,0]=4 486 B11R1.83 CCc1ccc(cc1)NCF 34a_100000211069_100015361967 [1,0,0,0,0,0|2,0,1]=4 487 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,0,0,0,0,0|2,0,0]=3 488 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,0,0,0,0,0|2,0,0]=3 489 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,0,0,0,0,0|2,0,0]=3 490 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,0,0,0,0,0|2,0,0]=3 491 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,0,0,0,0,0|2,0,0]=3 492 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,0,0,0,0,0|2,0,0]=3 493 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,0,0,0,0,0|2,0,0]=3 494 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,0,0,0,0,0|2,0,0]=3 495 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [1,0,0,0,0,0|2,1,0]=4 497 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [1,0,0,0,0,0|2,1,0]=4 498 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [1,0,0,0,0,0|2,1,0]=4 499 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [1,0,0,0,0,0|2,1,0]=4 500 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [1,0,0,0,0,0|2,1,0]=4 501 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [1,0,0,0,0,0|2,1,0]=4 502 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [1,0,0,0,0,0|2,1,0]=4 503 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [1,0,0,0,0,0|2,1,0]=4 504 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [1,0,0,0,0,0|2,1,0]=4 505 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [1,0,0,0,0,0|2,1,0]=4 506 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [1,0,0,0,0,0|2,1,0]=4 507 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [1,0,0,0,0,0|2,1,0]=4 508 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [1,0,0,0,0,0|3,0,0]=4 509 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [1,0,0,0,0,0|3,0,0]=4 510 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [1,0,0,0,0,0|3,0,0]=4 511 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [1,0,0,0,0,0|3,0,0]=4 512 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [1,0,0,0,0,0|3,0,0]=4 513 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [1,0,0,0,0,0|3,0,0]=4 514 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [1,0,0,0,0,0|3,0,0]=4 515 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [1,0,0,0,0,0|3,0,0]=4 516 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [1,0,0,0,0,0|3,0,0]=4 517 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [1,0,0,0,0,0|3,0,0]=4 518 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [1,0,0,0,0,0|3,0,0]=4 519 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [1,0,0,0,0,0|3,0,0]=4 520 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [1,0,0,0,0,0|3,0,0]=4 521 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [1,0,0,0,0,0|3,0,0]=4 522 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [1,0,0,0,0,0|3,0,0]=4 523 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [1,0,0,0,0,0|3,0,0]=4 524 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [1,0,0,0,0,0|3,0,0]=4 525 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,0,0,0,0,0|2,0,0]=3 526 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,0,0,0,0,0|2,0,0]=3 527 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,0,0,0,0,0|2,0,0]=3 528 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,0,0,0,0,0|2,0,0]=3 529 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,0,0,0,0,0|2,0,0]=3 530 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,0,0,0,0,0|2,0,0]=3 531 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [1,0,0,0,0,0|2,1,0]=4 532 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [1,0,0,0,0,0|2,1,0]=4 533 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [1,0,0,0,0,0|2,1,0]=4 534 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [1,0,0,0,0,0|2,1,0]=4 535 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [1,0,0,0,0,0|2,1,0]=4 536 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [1,0,0,0,0,0|2,1,0]=4 537 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [1,0,0,0,0,0|2,1,0]=4 538 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [1,0,0,0,0,0|3,0,0]=4 540 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [1,0,0,0,0,0|3,0,0]=4 541 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [1,0,0,0,0,0|3,0,0]=4 542 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,0,0,0,0,0|2,0,1]=4 543 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,0,0,0,0,0|2,0,1]=4 544 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,0,0,0,0,0|2,0,1]=4 545 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,0,0,0,0,0|2,0,1]=4 546 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,0,0,0,0,0|2,0,1]=4 547 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,0,0,0,0,0|1,0,2]=4 548 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,0,0,0,0,0|1,0,2]=4 549 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,0,0,0,0,0|2,0,0]=3 550 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,0,0,0,0,0|2,0,0]=3 551 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,0,0,0,0,0|2,0,0]=3 552 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,0,0,0,0,0|2,0,0]=3 553 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [1,0,0,0,0,0|1,0,1]=3 554 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,0,0,0,0,0|2,0,1]=4 555 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [1,0,0,0,0,0|2,0,1]=4 556 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [1,0,0,0,0,0|3,0,0]=4 557 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [1,0,0,0,0,0|3,0,0]=4 558 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [1,0,0,0,0,0|3,0,0]=4 559 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [1,0,0,0,0,0|3,0,0]=4 560 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [1,0,0,0,0,0|3,0,0]=4 561 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [1,0,0,0,0,0|3,0,0]=4 562 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [1,0,0,0,0,0|3,0,0]=4 563 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [1,0,0,0,0,0|3,0,0]=4 564 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [1,0,0,0,0,0|3,0,0]=4 565 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [1,0,0,0,0,0|3,0,0]=4 566 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [1,0,0,0,0,0|3,0,0]=4 567 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [1,0,0,0,0,0|3,0,0]=4 568 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [1,0,0,0,0,0|3,0,0]=4 569 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [1,0,0,0,0,0|3,0,0]=4 570 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [1,0,0,0,0,0|3,0,0]=4 571 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [1,0,0,0,0,0|2,1,0]=4 572 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [1,0,0,0,0,0|2,1,0]=4 573 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,0,0,0,0,0|2,1,0]=4 574 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,0,0,0,0,0|2,1,0]=4 575 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,0,0,0,0,0|1,1,0]=3 576 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,0,0,0,0,0|1,1,0]=3 577 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [1,0,0,0,0,0|2,1,0]=4 578 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [1,0,0,0,0,0|2,1,0]=4 579 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [1,0,0,0,0,0|2,1,0]=4 580 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [1,0,0,0,0,0|2,1,0]=4 581 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [1,0,0,0,0,0|2,1,0]=4 582 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [1,0,0,0,0,0|2,1,0]=4 583 B11R1.83 CSc1ccc(cc1)NC#N 62a_200000210301_100011685341 [1,0,0,0,0,0|1,1,1]=4 584 B11R1.83 CSc1ccc(cc1)NCF 34a_100000212337_100015361967 [1,0,0,0,0,0|1,1,1]=4 585 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,0,0,0,0,0|2,0,1]=4 586 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,0,0,0,0,0|2,0,1]=4 587 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,0,0,0,0,0|2,0,1]=4 588 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,0,0,0,0,0|2,0,1]=4 589 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,0,0,0,0,0|2,0,1]=4 590 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,0,0,0,0,0|1,0,2]=4 591 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,0,0,0,0,0|1,0,2]=4 592 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,0,0,0,0,0|2,1,0]=4 593 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,0,0,0,0,0|2,1,0]=4 594 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,0,0,0,0,0|1,1,0]=3 595 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,0,0,0,0,0|1,1,0]=3 596 B11R1.83 [13CH3]Sc1ccc(cc1)NC#N 62a_200025704644_100011685341 [1,0,0,0,0,0|1,1,1]=4 597 B13R1.4 C#Cc1ccc(cc1)NS(=O)(=O)C 40a_100011215031_100000738038 [0,1,0,0,0,0|2,0,1]=4 598 B13R1.4 C=Cc1ccc(cc1)NS(=O)(=O)C 271570a_100011290941_200000165602 [0,1,0,0,0,0|2,0,1]=4 599 B13R1.4 C=Cc1ccc(cc1)NS(=O)(=O)C 40a_100011218248_100000738038 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 34a_100000061920_200025704644 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 7a_100000061920_200025704644 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.4 CCc1ccc(cc1)NC(C)(C)C 34a_100000211069_100000210625 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.4 CCc1ccc(cc1)NS(=O)(=O)C 40a_100000211069_100000738038 [0,1,0,0,0,0|2,0,0]=3 604 B13R1.4 CNc1ccc(cc1)CS(=O)(=O)C 2230a_100000747337_200000210301 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.4 CNc1ccc(cc1)CS(=O)(=O)C 34a_100000747337_200000210301 [0,1,0,0,0,0|3,0,0]=4 606 B13R1.4 CNc1ccc(cc1)NS(=O)(=O)C 34a_100011191326_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B13R1.4 COc1ccc(cc1)NC(C)(C)C 34a_100000184247_100000210625 [0,1,0,0,0,0|1,0,1]=3 608 B13R1.4 COc1ccc(cc1)NC(F)(F)F 34a_100000184247_200103152311 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 34a_100000165719_200000210301 [0,1,0,0,0,0|1,0,0]=2 610 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 40a_100000184247_100000738038 [0,1,0,0,0,0|1,0,0]=2 611 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000061920_200000210301 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000210503_100000210625 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.4 COc1ccc(cc1)OC(C)(C)C 7a_100000061920_200000210301 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.4 COc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000171711 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000747337_200025704644 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)N[13CH3] 34a_100000747337_200025704644 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)S[13CH3] 62a_100009814647_200025704644 [0,1,0,0,0,0|2,1,0]=4 618 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100009814647 [0,1,0,0,0,0|2,1,0]=4 619 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)CO 40a_100011215238_100000738038 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)N[13CH3] 34a_100011191326_200025704644 [0,1,0,0,0,0|2,0,0]=3 621 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)O[13CH3] 34a_100000165719_200025704644 [0,1,0,0,0,0|1,0,0]=2 622 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)S[13CH3] 62a_200000165602_200025704644 [0,1,0,0,0,0|1,1,0]=3 623 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_200000165602 [0,1,0,0,0,0|1,1,0]=3 624 B13R1.4 CS(=O)(=O)Nc1ccc(nc1)S[13CH3] 62a_100012886670_200025704644 [0,1,0,0,0,0|2,1,0]=4 625 B13R1.4 CS(=O)(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100012886670 [0,1,0,0,0,0|2,1,0]=4 626 B13R1.4 CSc1ccc(cc1)CS(=O)(=O)C 62a_100009814647_200000210301 [0,1,0,0,0,0|2,1,0]=4 627 B13R1.4 CSc1ccc(cc1)CS(=O)(=O)C 62a_200000210301_100009814647 [0,1,0,0,0,0|2,1,0]=4 628 B13R1.4 CSc1ccc(cc1)NC(C)(C)C 34a_100000212337_100000210625 [0,1,0,0,0,0|1,1,1]=4 629 B13R1.4 CSc1ccc(cc1)NS(=O)(=O)C 40a_100000212337_100000738038 [0,1,0,0,0,0|1,1,0]=3 630 B13R1.4 CSc1ccc(cc1)NS(=O)(=O)C 62a_200000165602_200000210301 [0,1,0,0,0,0|1,1,0]=3 631 B13R1.4 CSc1ccc(cc1)NS(=O)(=O)C 62a_200000210301_200000165602 [0,1,0,0,0,0|1,1,0]=3 632 B13R1.4 CSc1ccc(cn1)NS(=O)(=O)C 62a_100012886670_200000210301 [0,1,0,0,0,0|2,1,0]=4 633 B13R1.4 CSc1ccc(cn1)NS(=O)(=O)C 62a_200000210301_100012886670 [0,1,0,0,0,0|2,1,0]=4 634 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,1,0,0,0,0|2,0,1]=4 635 B13R1.5 C#CC(=O)Cc1ccc(cc1)SC 1458a_100000211873_100000181263 [0,1,0,0,0,0|1,1,1]=4 636 B13R1.5 C#CC(=O)Cc1ccc(cn1)OC 1458a_100000211873_200000757186 [0,1,0,0,0,0|2,0,1]=4 637 B13R1.5 C#CC(=O)Cc1ccc(nc1)OC 1458a_100000211873_100020631284 [0,1,0,0,0,0|2,0,1]=4 638 B13R1.5 C#CC(C)Nc1ccc(cc1)CC 34a_100000211069_200000035995 [0,1,0,0,0,0|2,0,1]=4 639 B13R1.5 C#CC(C)Nc1ccc(cc1)OC 34a_100000184247_200000035995 [0,1,0,0,0,0|1,0,1]=3 640 B13R1.5 C#CC(C)Nc1ccc(cc1)SC 34a_100000212337_200000035995 [0,1,0,0,0,0|1,1,1]=4 641 B13R1.5 C#CC(C)Oc1ccc(cc1)OC 34a_100000210503_200000035995 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.5 C#CC(C)Sc1ccc(cc1)OC 62a_200000035995_100000171711 [0,1,0,0,0,0|2,0,1]=4 643 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000140223 [0,1,0,0,0,0|2,0,1]=4 644 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_200009884166_100000210202 [0,1,0,0,0,0|2,0,1]=4 645 B13R1.5 C#Cc1ccc(cc1)CC(=O)CF 1458a_200009884166_100015361967 [0,1,0,0,0,0|2,0,1]=4 646 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,1,0,0,0,0|2,0,1]=4 647 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 11a_106832991635_200009884166 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 1626a_100102657272_200009884166 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 240690a_100102657272_200009884166 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 527a_100102657272_200009884166 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.5 C#Cc1ccc(cc1)NC(=O)C=C 1626a_100011215031_100000185746 [0,1,0,0,0,0|1,0,2]=4 652 B13R1.5 C#Cc1ccc(cc1)NC(=O)C=C 22a_100011215031_100000185746 [0,1,0,0,0,0|1,0,2]=4 653 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 11a_100011215031_100000210414 [0,1,0,0,0,0|1,0,1]=3 654 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 1626a_100011215031_100000210414 [0,1,0,0,0,0|1,0,1]=3 655 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 22a_100011215031_100000210414 [0,1,0,0,0,0|1,0,1]=3 656 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 527a_100011215031_100000210414 [0,1,0,0,0,0|1,0,1]=3 657 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 22a_100011215031_100000210174 [0,1,0,0,0,0|1,0,1]=3 658 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 527a_100011215031_100000210174 [0,1,0,0,0,0|1,0,1]=3 659 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 2430a_100011215031_100102657272 [0,1,0,0,0,0|1,0,1]=3 660 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 512a_100011215031_100102657272 [0,1,0,0,0,0|1,0,1]=3 661 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,1,0,0,0,0|1,1,1]=4 663 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.5 C=CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000185746 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.5 C=CC(=O)Nc1ccc(cc1)C=C 1626a_100011218248_100000185746 [0,1,0,0,0,0|1,0,2]=4 667 B13R1.5 C=CC(=O)Nc1ccc(cc1)C=C 22a_100011218248_100000185746 [0,1,0,0,0,0|1,0,2]=4 668 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,1,0,0,0,0|1,0,1]=3 669 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,1,0,0,0,0|1,0,1]=3 670 B13R1.5 C=CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000185746 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,1,0,0,0,0|0,0,1]=2 672 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,1,0,0,0,0|0,0,1]=2 673 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,1,0,0,0,0|0,0,1]=2 674 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,1,0,0,0,0|0,0,1]=2 675 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,1,0,0,0,0|0,1,1]=3 676 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.5 C=Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000034074 [0,1,0,0,0,0|2,0,1]=4 678 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,1,0,0,0,0|2,0,1]=4 679 B13R1.5 C=Cc1ccc(cc1)CC(=O)NC 271570a_100011290941_100000155101 [0,1,0,0,0,0|2,0,1]=4 680 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 11a_100011218248_100000210414 [0,1,0,0,0,0|1,0,1]=3 682 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 1626a_100011218248_100000210414 [0,1,0,0,0,0|1,0,1]=3 683 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 22a_100011218248_100000210414 [0,1,0,0,0,0|1,0,1]=3 684 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 527a_100011218248_100000210414 [0,1,0,0,0,0|1,0,1]=3 685 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 22a_100011218248_100000210174 [0,1,0,0,0,0|1,0,1]=3 686 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 527a_100011218248_100000210174 [0,1,0,0,0,0|1,0,1]=3 687 B13R1.5 C=Cc1ccc(cc1)NC(=O)NC 2430a_100011218248_100102657272 [0,1,0,0,0,0|1,0,1]=3 688 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,1,0,0,0,0|1,0,1]=3 689 B13R1.5 C=Cc1ccc(cc1)OC(=O)CC 271570a_100011290941_200009811598 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.5 C=Cc1ccc(nc1)NC(=O)OC 271570a_100011290941_100000188976 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000210414_100000184898 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_100000210202 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.5 CCC(=O)Cc1ccc(cc1)C=O 1458a_100000210414_100000075337 [0,1,0,0,0,0|3,0,0]=4 694 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,1,0,0,0,0|2,0,0]=3 695 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,1,0,0,0,0|2,0,0]=3 696 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,1,0,0,0,0|1,0,0]=2 699 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,1,0,0,0,0|1,1,0]=3 700 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,1,0,0,0,0|1,1,0]=3 701 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,1,0,0,0,0|2,0,0]=3 702 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,1,0,0,0,0|2,0,0]=3 703 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,1,0,0,0,0|2,0,0]=3 704 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,1,0,0,0,0|2,0,0]=3 705 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210414 [0,1,0,0,0,0|2,0,0]=3 706 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210414 [0,1,0,0,0,0|2,0,0]=3 707 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210414 [0,1,0,0,0,0|1,0,0]=2 708 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210414 [0,1,0,0,0,0|1,0,0]=2 709 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210414 [0,1,0,0,0,0|1,0,0]=2 710 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210414 [0,1,0,0,0,0|1,0,0]=2 711 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,1,0,0,0,0|2,0,0]=3 712 B13R1.5 CCC(=O)Nc1ccc(cc1)NC 34a_100000186511_200000210301 [0,1,0,0,0,0|1,0,0]=2 713 B13R1.5 CCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000186511_200025704644 [0,1,0,0,0,0|1,0,0]=2 714 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,1,0,0,0,0|0,0,0]=1 715 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,1,0,0,0,0|0,0,0]=1 716 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,1,0,0,0,0|0,0,0]=1 717 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,1,0,0,0,0|0,0,0]=1 718 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,1,0,0,0,0|0,0,0]=1 719 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,1,0,0,0,0|0,0,0]=1 720 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,1,0,0,0,0|0,0,0]=1 721 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,1,0,0,0,0|0,0,0]=1 722 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210414 [0,1,0,0,0,0|0,1,0]=2 723 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210414 [0,1,0,0,0,0|0,1,0]=2 724 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210414 [0,1,0,0,0,0|0,1,0]=2 725 B13R1.5 CCC(=O)Oc1ccc(cc1)SC 62a_200000210301_200009811598 [0,1,0,0,0,0|1,1,0]=3 726 B13R1.5 CCC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009811598 [0,1,0,0,0,0|1,1,0]=3 727 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,1,0,0,0,0|1,0,1]=3 728 B13R1.5 CCC(C)Nc1ccc(cc1)SC 34a_100000212337_100011215416 [0,1,0,0,0,0|1,1,1]=4 729 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000184145_100000210202 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000225621_100000742318 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000741509_200000210301 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000184145_100000204670 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000225621_100000742318 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000741509_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.5 CCN(C)Cc1ccc(cc1)OC 26a_100000225621_100000210503 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 2230a_100000741509_200025704644 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 269982a_100000741509_200025704644 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,1,0,0,0,0|2,0,0]=3 741 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,1,0,0,0,0|2,0,0]=3 742 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,1,0,0,0,0|2,0,0]=3 743 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,1,0,0,0,0|2,0,0]=3 744 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,1,0,0,0,0|2,0,0]=3 745 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,1,0,0,0,0|2,0,0]=3 746 B13R1.5 CCc1ccc(cc1)NC(=O)CO 22a_100000211069_100000210174 [0,1,0,0,0,0|1,0,0]=2 747 B13R1.5 CCc1ccc(cc1)NC(=O)CO 527a_100000211069_100000210174 [0,1,0,0,0,0|1,0,0]=2 748 B13R1.5 CCc1ccc(cc1)NC(=O)NC 2430a_100000211069_100102657272 [0,1,0,0,0,0|1,0,0]=2 749 B13R1.5 CCc1ccc(cc1)NC(C)C#N 2230a_100000211069_100000184139 [0,1,0,0,0,0|2,0,1]=4 750 B13R1.5 CCc1ccc(cc1)NC(C)CC 2230a_100000211069_100000758301 [0,1,0,0,0,0|2,0,1]=4 751 B13R1.5 CCc1ccc(cc1)NC(C)CC 34a_100000211069_100011215416 [0,1,0,0,0,0|2,0,1]=4 752 B13R1.5 CCc1ccc(cc1)NC(C)CO 2230a_100000211069_100012180447 [0,1,0,0,0,0|1,0,2]=4 753 B13R1.5 CCc1ccc(cc1)NC(C)CO 34a_100000211069_100012180447 [0,1,0,0,0,0|1,0,2]=4 754 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 11a_106832991635_100000748677 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 1626a_100102657272_100000748677 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 240690a_100102657272_100000748677 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 527a_100102657272_100000748677 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,1,0,0,0,0|2,0,0]=3 760 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,1,0,0,0,0|2,0,0]=3 761 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,1,0,0,0,0|2,0,0]=3 762 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,1,0,0,0,0|2,0,0]=3 763 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,1,0,0,0,0|1,0,0]=2 764 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,1,0,0,0,0|1,0,0]=2 765 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,1,0,0,0,0|1,0,0]=2 766 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,1,0,0,0,0|1,0,0]=2 767 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,1,0,0,0,0|1,0,0]=2 768 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,1,0,0,0,0|1,1,0]=3 769 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,1,0,0,0,0|1,1,0]=3 770 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,1,0,0,0,0|1,1,0]=3 771 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,1,0,0,0,0|1,1,0]=3 772 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,1,0,0,0,0|1,1,0]=3 773 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,1,0,0,0,0|1,1,0]=3 774 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,1,0,0,0,0|1,1,0]=3 775 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,1,0,0,0,0|1,1,0]=3 776 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,1,0,0,0,0|2,0,0]=3 777 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,1,0,0,0,0|2,0,0]=3 778 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,1,0,0,0,0|2,0,0]=3 779 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,1,0,0,0,0|2,0,0]=3 780 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,1,0,0,0,0|2,0,0]=3 781 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,1,0,0,0,0|2,0,0]=3 782 B13R1.5 CNC(=O)Nc1ccc(cc1)C#N 2430a_100000185469_100102657272 [0,1,0,0,0,0|2,0,0]=3 783 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,1,0,0,0,0|0,0,0]=1 785 B13R1.5 CNC(=O)Nc1ccc(cc1)SC 2430a_100000212337_100102657272 [0,1,0,0,0,0|0,1,0]=2 786 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,1,0,0,0,0|2,0,1]=4 787 B13R1.5 CNc1ccc(cc1)NC(=O)CO 34a_100011269904_200000210301 [0,1,0,0,0,0|1,0,0]=2 788 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,1,0,0,0,0|1,0,0]=2 789 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,1,0,0,0,0|1,0,0]=2 790 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,1,0,0,0,0|1,1,0]=3 791 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,1,0,0,0,0|1,1,0]=3 792 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,1,0,0,0,0|1,1,0]=3 793 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,1,0,0,0,0|1,1,0]=3 794 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_100012362609_200000210301 [0,1,0,0,0,0|2,1,0]=4 795 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_200000210301_100012362609 [0,1,0,0,0,0|2,1,0]=4 796 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_100012362609_200025704644 [0,1,0,0,0,0|2,1,0]=4 797 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_200025704644_100012362609 [0,1,0,0,0,0|2,1,0]=4 798 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_100000071674_200000210301 [0,1,0,0,0,0|2,1,0]=4 799 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_200000210301_100000071674 [0,1,0,0,0,0|2,1,0]=4 800 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_100000071674_200025704644 [0,1,0,0,0,0|2,1,0]=4 801 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000071674 [0,1,0,0,0,0|2,1,0]=4 802 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,1,0,0,0,0|0,0,0]=1 803 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,1,0,0,0,0|0,0,0]=1 804 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,1,0,0,0,0|0,1,0]=2 805 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,1,0,0,0,0|0,1,0]=2 806 B13R1.5 COC(=O)Nc1ccc(cn1)SC 62a_200000210301_100000188976 [0,1,0,0,0,0|1,1,0]=3 807 B13R1.5 COC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000188976 [0,1,0,0,0,0|1,1,0]=3 808 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,1,0,0,0,0|1,0,0]=2 809 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.5 COc1ccc(cc1)CN(C)CF 269982a_100000184145_100015361967 [0,1,0,0,0,0|3,0,0]=4 811 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,1,0,0,0,0|2,0,1]=4 812 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,1,0,0,0,0|0,0,0]=1 813 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,1,0,0,0,0|0,0,0]=1 814 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,1,0,0,0,0|0,0,0]=1 815 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,1,0,0,0,0|0,0,2]=3 816 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,1,0,0,0,0|1,0,2]=4 817 B13R1.5 COc1ccc(cc1)SC(C)C#N 62a_100000703298_100000171711 [0,1,0,0,0,0|2,0,1]=4 818 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,1,0,0,0,0|1,0,2]=4 819 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,1,0,0,0,0|1,0,2]=4 820 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,1,0,0,0,0|1,0,2]=4 821 B13R1.5 COc1ccc(cn1)CC(=O)CF 1458a_100012001117_100015361967 [0,1,0,0,0,0|2,0,0]=3 822 B13R1.5 COc1ccc(cn1)CC(=O)CO 1458a_100000210174_100020631284 [0,1,0,0,0,0|2,0,0]=3 823 B13R1.5 COc1ccc(nc1)CC(=O)CF 1458a_100000722272_100015361967 [0,1,0,0,0,0|2,0,0]=3 824 B13R1.5 COc1ccc(nc1)CC(=O)CO 1458a_100000210174_200000757186 [0,1,0,0,0,0|2,0,0]=3 825 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,1,0,0,0,0|1,1,0]=3 826 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,1,0,0,0,0|1,1,0]=3 827 B13R1.5 CSc1ccc(cc1)NC(=O)CN 62a_200000210301_100000741985 [0,1,0,0,0,0|0,1,0]=2 828 B13R1.5 CSc1ccc(cc1)NC(=O)CO 22a_100000212337_100000210174 [0,1,0,0,0,0|0,1,0]=2 829 B13R1.5 CSc1ccc(cc1)NC(=O)CO 527a_100000212337_100000210174 [0,1,0,0,0,0|0,1,0]=2 830 B13R1.5 CSc1ccc(cc1)NC(C)CO 34a_100000212337_100012180447 [0,1,0,0,0,0|0,1,2]=4 831 B13R1.5 N#Cc1ccc(cc1)CC(=O)CF 1458a_100000748677_100015361967 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.5 O=C(CF)Cc1ccc(cc1)CO 1458a_100011356463_100015361967 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.5 O=C(CO)Nc1ccc(cc1)CO 22a_100011215238_100000210174 [0,1,0,0,0,0|2,0,0]=3 836 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.5 [13CH3]Nc1ccc(cc1)NC(=O)CO 34a_100011269904_200025704644 [0,1,0,0,0,0|1,0,0]=2 838 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,1,0,0,0,0|2,0,0]=3 839 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,1,0,0,0,0|2,0,1]=4 840 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,1,0,0,0,0|0,0,0]=1 841 B13R1.5 [13CH3]Sc1ccc(cc1)NC(=O)CN 62a_200025704644_100000741985 [0,1,0,0,0,0|0,1,0]=2 842 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 11a_100012001888_100015343762 [0,1,0,0,0,0|1,0,1]=3 843 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 1626a_100012001888_100015343762 [0,1,0,0,0,0|1,0,1]=3 844 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 22a_100012001888_100000070787 [0,1,0,0,0,0|1,0,1]=3 845 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 11a_100012001886_100015343762 [0,1,0,0,0,0|1,0,1]=3 846 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 1626a_100012001886_100015343762 [0,1,0,0,0,0|1,0,1]=3 847 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 22a_100012001886_100000070787 [0,1,0,0,0,0|1,0,1]=3 848 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 527a_100012001886_100103153847 [0,1,0,0,0,0|1,0,1]=3 849 B13R1.35 C=Cc1ccc(cc1C)NC(=O)C 271570a_100011290941_100000155607 [0,1,0,0,0,0|1,0,1]=3 850 B13R1.35 C=Cc1ccc(cc1C)NC(=O)N 271570a_100011290941_100000238934 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.35 C=Cc1ccc(cc1F)NC(=O)C 271570a_100011290941_100011219590 [0,1,0,0,0,0|1,0,1]=3 852 B13R1.35 C=Cc1ccc(nc1C)NC(=O)C 271570a_100011290941_100000187074 [0,1,0,0,0,0|2,0,1]=4 853 B13R1.35 C=Cc1ccc(nc1F)NC(=O)C 271570a_100011290941_100000050017 [0,1,0,0,0,0|2,0,1]=4 854 B13R1.35 C=Cc1cnc(cc1C)NC(=O)C 271570a_100011290941_100011934553 [0,1,0,0,0,0|2,0,1]=4 855 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)C#N 1458a_100000070787_100012355662 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,1,0,0,0,0|1,0,0]=2 857 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,1,0,0,0,0|1,0,0]=2 858 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,1,0,0,0,0|1,0,0]=2 859 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,1,0,0,0,0|1,0,0]=2 860 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)C#N 1458a_100000070787_100010147163 [0,1,0,0,0,0|3,0,0]=4 861 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,1,0,0,0,0|1,0,0]=2 862 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,1,0,0,0,0|1,0,0]=2 863 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100000070787_100011217145 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200000210301 [0,1,0,0,0,0|3,0,0]=4 865 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C=O 1458a_100000070787_100010142638 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.35 CC(=O)Nc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934553 [0,1,0,0,0,0|1,1,0]=3 867 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N 11a_100000689153_100015343762 [0,1,0,0,0,0|2,0,0]=3 868 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N 1626a_100000689153_100015343762 [0,1,0,0,0,0|2,0,0]=3 869 B13R1.35 CC(=O)Nc1ccc(c(c1)C)C#N 11a_100011999795_100015343762 [0,1,0,0,0,0|2,0,0]=3 870 B13R1.35 CC(=O)Nc1ccc(c(c1)C)C#N 1626a_100011999795_100015343762 [0,1,0,0,0,0|2,0,0]=3 871 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,1,0,0,0,0|2,0,0]=3 872 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,1,0,0,0,0|0,0,0]=1 873 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,1,0,0,0,0|0,0,0]=1 874 B13R1.35 CC(=O)Nc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000155607 [0,1,0,0,0,0|0,1,0]=2 875 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C#N 11a_100000211542_100015343762 [0,1,0,0,0,0|2,0,0]=3 876 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C#N 1626a_100000211542_100015343762 [0,1,0,0,0,0|2,0,0]=3 877 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,1,0,0,0,0|2,0,0]=3 878 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,1,0,0,0,0|0,0,0]=1 879 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,1,0,0,0,0|0,0,0]=1 880 B13R1.35 CC(=O)Nc1ccc(c(c1)F)C#N 11a_100000765089_100015343762 [0,1,0,0,0,0|2,0,0]=3 881 B13R1.35 CC(=O)Nc1ccc(c(c1)F)C#N 1626a_100000765089_100015343762 [0,1,0,0,0,0|2,0,0]=3 882 B13R1.35 CC(=O)Nc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011219590 [0,1,0,0,0,0|0,1,0]=2 883 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_100000187074_200025704644 [0,1,0,0,0,0|1,1,0]=3 884 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000187074 [0,1,0,0,0,0|1,1,0]=3 885 B13R1.35 CC(=O)Nc1ccc(c(n1)F)S[13CH3] 62a_200025704644_100000050017 [0,1,0,0,0,0|1,1,0]=3 886 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 11a_100000766362_100015343762 [0,1,0,0,0,0|1,0,0]=2 887 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 1626a_100000766362_100015343762 [0,1,0,0,0,0|1,0,0]=2 888 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 22a_100000766362_100000070787 [0,1,0,0,0,0|1,0,0]=2 889 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 527a_100000766362_100103153847 [0,1,0,0,0,0|1,0,0]=2 890 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 2230a_100000766362_100000210206 [0,1,0,0,0,0|2,0,1]=4 891 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 34a_100000766362_100000210206 [0,1,0,0,0,0|2,0,1]=4 892 B13R1.35 CCc1ccc(cc1Cl)NC(C)C 7a_100000766362_100000210206 [0,1,0,0,0,0|2,0,1]=4 893 B13R1.35 CCc1ccc(cc1F)C=C(C)C 271570a_100102525489_200010071577 [0,1,0,0,0,0|3,0,0]=4 894 B13R1.35 CCc1ccc(cc1N)C=C(C)C 271570a_100102525489_100012354963 [0,1,0,0,0,0|3,0,0]=4 895 B13R1.35 CNc1ccc(cc1C)C=C(C)C 271570a_100102525489_100000221803 [0,1,0,0,0,0|3,0,0]=4 896 B13R1.35 CNc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000743884 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.35 CNc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000741790 [0,1,0,0,0,0|3,0,0]=4 898 B13R1.35 COc1ccc(cc1Br)C=C(C)C 271570a_100102525489_100011249507 [0,1,0,0,0,0|2,0,0]=3 899 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,1,0,0,0,0|1,0,0]=2 900 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,1,0,0,0,0|1,0,0]=2 901 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,1,0,0,0,0|1,0,0]=2 902 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,1,0,0,0,0|1,0,0]=2 903 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,1,0,0,0,0|1,0,0]=2 904 B13R1.35 COc1ccc(cc1Br)CN(C)C 2230a_100102631434_200011397701 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.35 COc1ccc(cc1Br)CN(C)C 269982a_100102631434_200011397701 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.35 COc1ccc(cc1Br)CN(C)C 270004a_100102631434_100000173361 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,1,0,0,0,0|0,0,0]=1 908 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,1,0,0,0,0|0,0,0]=1 909 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,1,0,0,0,0|0,0,0]=1 910 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,1,0,0,0,0|0,0,0]=1 911 B13R1.35 COc1ccc(cc1Br)NC(C)C 34a_100000187427_100000210206 [0,1,0,0,0,0|1,0,1]=3 912 B13R1.35 COc1ccc(cc1Br)OC(C)C 34a_100010234764_100000210206 [0,1,0,0,0,0|2,0,1]=4 913 B13R1.35 COc1ccc(cc1Br)OC(C)C 7a_100010234764_100000210206 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100000210206_100011249507 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100011249507_100000210206 [0,1,0,0,0,0|2,0,1]=4 916 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [0,1,0,0,0,0|2,0,0]=3 917 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,1,0,0,0,0|1,0,0]=2 918 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,1,0,0,0,0|1,0,0]=2 919 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,1,0,0,0,0|1,0,0]=2 920 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,1,0,0,0,0|1,0,0]=2 921 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,1,0,0,0,0|1,0,0]=2 922 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100000241087_200000210301 [0,1,0,0,0,0|3,0,0]=4 923 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100102631434_200011290836 [0,1,0,0,0,0|3,0,0]=4 924 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100000241087_200000210301 [0,1,0,0,0,0|3,0,0]=4 925 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100102631434_200011290836 [0,1,0,0,0,0|3,0,0]=4 926 B13R1.35 COc1ccc(cc1C)CN(C)C 270004a_100102631434_100000239718 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.35 COc1ccc(cc1C)CN(C)C 34a_100000241087_200000210301 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 2230a_100000241087_200025704644 [0,1,0,0,0,0|3,0,0]=4 929 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 269982a_100000241087_200025704644 [0,1,0,0,0,0|3,0,0]=4 930 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 34a_100000241087_200025704644 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,1,0,0,0,0|0,0,0]=1 932 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,1,0,0,0,0|0,0,0]=1 933 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,1,0,0,0,0|0,0,0]=1 934 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,1,0,0,0,0|0,0,0]=1 935 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,1,0,0,0,0|0,0,0]=1 936 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,1,0,0,0,0|0,0,0]=1 937 B13R1.35 COc1ccc(cc1C)NC(C)C 2230a_100000743268_100000210206 [0,1,0,0,0,0|1,0,1]=3 938 B13R1.35 COc1ccc(cc1C)NC(C)C 34a_100000743268_100000210206 [0,1,0,0,0,0|1,0,1]=3 939 B13R1.35 COc1ccc(cc1C)NC(C)C 7a_100000743268_100000210206 [0,1,0,0,0,0|1,0,1]=3 940 B13R1.35 COc1ccc(cc1C)OC(C)C 34a_100000759738_100000210206 [0,1,0,0,0,0|2,0,1]=4 941 B13R1.35 COc1ccc(cc1C)OC(C)C 7a_100000759738_100000210206 [0,1,0,0,0,0|2,0,1]=4 942 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100000210206_100011219705 [0,1,0,0,0,0|2,0,1]=4 943 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100011219705_100000210206 [0,1,0,0,0,0|2,0,1]=4 944 B13R1.35 COc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_100012355395 [0,1,0,0,0,0|2,0,0]=3 945 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,1,0,0,0,0|1,0,0]=2 946 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,1,0,0,0,0|1,0,0]=2 947 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,1,0,0,0,0|1,0,0]=2 948 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,1,0,0,0,0|1,0,0]=2 949 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,1,0,0,0,0|1,0,0]=2 950 B13R1.35 COc1ccc(cc1Cl)CN(C)C 2230a_100102631434_100000693707 [0,1,0,0,0,0|3,0,0]=4 951 B13R1.35 COc1ccc(cc1Cl)CN(C)C 269982a_100102631434_100000693707 [0,1,0,0,0,0|3,0,0]=4 952 B13R1.35 COc1ccc(cc1Cl)CN(C)C 270004a_100102631434_100000186747 [0,1,0,0,0,0|3,0,0]=4 953 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,1,0,0,0,0|0,0,0]=1 954 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,1,0,0,0,0|0,0,0]=1 955 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,1,0,0,0,0|0,0,0]=1 956 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,1,0,0,0,0|0,0,0]=1 957 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,1,0,0,0,0|0,0,0]=1 958 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,1,0,0,0,0|0,0,0]=1 959 B13R1.35 COc1ccc(cc1Cl)NC(C)C 2230a_100000211044_100000210206 [0,1,0,0,0,0|1,0,1]=3 960 B13R1.35 COc1ccc(cc1Cl)NC(C)C 34a_100000211044_100000210206 [0,1,0,0,0,0|1,0,1]=3 961 B13R1.35 COc1ccc(cc1Cl)OC(C)C 34a_200009861682_100000210206 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.35 COc1ccc(cc1Cl)OC(C)C 7a_200009861682_100000210206 [0,1,0,0,0,0|2,0,1]=4 963 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100000210206_100012355395 [0,1,0,0,0,0|2,0,1]=4 964 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100012355395_100000210206 [0,1,0,0,0,0|2,0,1]=4 965 B13R1.35 COc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000185480 [0,1,0,0,0,0|2,0,0]=3 966 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,1,0,0,0,0|1,0,0]=2 967 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,1,0,0,0,0|1,0,0]=2 968 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,1,0,0,0,0|1,0,0]=2 969 B13R1.35 COc1ccc(cc1F)CN(C)C 2230a_100102631434_100000189595 [0,1,0,0,0,0|3,0,0]=4 970 B13R1.35 COc1ccc(cc1F)CN(C)C 269982a_100102631434_100000189595 [0,1,0,0,0,0|3,0,0]=4 971 B13R1.35 COc1ccc(cc1F)CN(C)C 270004a_100102631434_100000204617 [0,1,0,0,0,0|3,0,0]=4 972 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,1,0,0,0,0|0,0,0]=1 973 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,1,0,0,0,0|0,0,0]=1 974 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,1,0,0,0,0|0,0,0]=1 975 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,1,0,0,0,0|0,0,0]=1 976 B13R1.35 COc1ccc(cc1F)NC(C)C 2230a_100000740183_100000210206 [0,1,0,0,0,0|1,0,1]=3 977 B13R1.35 COc1ccc(cc1F)NC(C)C 34a_100000740183_100000210206 [0,1,0,0,0,0|1,0,1]=3 978 B13R1.35 COc1ccc(cc1F)OC(C)C 34a_100000746305_100000210206 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.35 COc1ccc(cc1F)OC(C)C 7a_100000746305_100000210206 [0,1,0,0,0,0|2,0,1]=4 980 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000171752_100000210206 [0,1,0,0,0,0|2,0,1]=4 981 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000210206_100000171752 [0,1,0,0,0,0|2,0,1]=4 982 B13R1.35 COc1ccc(cc1I)CN(C)C 270004a_100102631434_100009827998 [0,1,0,0,0,0|3,0,0]=4 983 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,1,0,0,0,0|0,0,0]=1 984 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,1,0,0,0,0|0,0,0]=1 985 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,1,0,0,0,0|0,0,0]=1 986 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,1,0,0,0,0|0,0,0]=1 987 B13R1.35 COc1ccc(cc1I)NC(C)C 34a_100011356947_100000210206 [0,1,0,0,0,0|1,0,1]=3 988 B13R1.35 COc1ccc(cc1I)OC(C)C 34a_100010084122_100000210206 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.35 COc1ccc(cc1I)OC(C)C 7a_100010084122_100000210206 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.35 COc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000743470 [0,1,0,0,0,0|2,0,0]=3 991 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100000210206_100011249504 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100011249504_100000210206 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,1,0,0,0,0|2,0,0]=3 994 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,0,0,0,0|1,0,0]=2 995 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,0,0,0,0|1,0,0]=2 996 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,0,0,0,0|1,0,0]=2 997 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [0,1,0,0,0,0|3,0,0]=4 998 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [0,1,0,0,0,0|3,0,0]=4 999 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [0,1,0,0,0,0|3,0,0]=4 1000 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [0,1,0,0,0,0|3,0,0]=4 1001 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,0,0,0,0|0,0,0]=1 1002 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,0,0,0,0|0,0,0]=1 1003 B13R1.35 COc1ccc(cc1O)NC(C)C 34a_100000211920_100000210206 [0,1,0,0,0,0|1,0,1]=3 1004 B13R1.35 COc1ccc(cc1O)SC(C)C 62a_100000210206_100009816560 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.35 COc1ccc(nc1Br)C=C(C)C 271570a_100102525489_100010214827 [0,1,0,0,0,0|3,0,0]=4 1006 B13R1.35 COc1ccc(nc1C)C=C(C)C 271570a_100102525489_100010244750 [0,1,0,0,0,0|3,0,0]=4 1007 B13R1.35 COc1ccc(nc1Cl)C=C(C)C 271570a_100102525489_100010233546 [0,1,0,0,0,0|3,0,0]=4 1008 B13R1.35 COc1ccc(nc1F)C=C(C)C 271570a_100102525489_100010138636 [0,1,0,0,0,0|3,0,0]=4 1009 B13R1.35 COc1ccc(nc1F)NC(C)C 27a_100138425928_100010138636 [0,1,0,0,0,0|2,0,1]=4 1010 B13R1.35 COc1ccc(nc1N)C=C(C)C 271570a_100102525489_100010192976 [0,1,0,0,0,0|3,0,0]=4 1011 B13R1.35 COc1cnc(cc1N)C=C(C)C 271570a_100102525489_100010896307 [0,1,0,0,0,0|3,0,0]=4 1012 B13R1.35 COc1cnc(cc1O)C=C(C)C 271570a_100102525489_100010264082 [0,1,0,0,0,0|3,0,0]=4 1013 B13R1.35 COc1coc(cc1=O)CC(=O)C 1458a_100000070787_100000081511 [0,1,0,0,0,0|2,0,0]=3 1014 B13R1.35 COc1ncc(cc1Br)C=C(C)C 271570a_100102525489_200010988584 [0,1,0,0,0,0|3,0,0]=4 1015 B13R1.35 COc1ncc(cc1C)C=C(C)C 271570a_100102525489_100011290809 [0,1,0,0,0,0|3,0,0]=4 1016 B13R1.35 COc1ncc(cc1F)C=C(C)C 271570a_100102525489_100011880707 [0,1,0,0,0,0|3,0,0]=4 1017 B13R1.35 COc1ncc(cc1N)C=C(C)C 271570a_100102525489_100000748608 [0,1,0,0,0,0|3,0,0]=4 1018 B13R1.35 COc1ncc(cc1O)C=C(C)C 271570a_100102525489_100010135713 [0,1,0,0,0,0|3,0,0]=4 1019 B13R1.35 CSc1ccc(cc1C)NC(=O)C 62a_200000210301_100000155607 [0,1,0,0,0,0|0,1,0]=2 1020 B13R1.35 CSc1ccc(cc1C)NC(=O)N 62a_200000210301_100000238934 [0,1,0,0,0,0|1,1,0]=3 1021 B13R1.35 CSc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_206447510565 [0,1,0,0,0,0|2,1,0]=4 1022 B13R1.35 CSc1ccc(cc1F)C=C(C)C 271570a_100102525489_100010161220 [0,1,0,0,0,0|2,1,0]=4 1023 B13R1.35 CSc1ccc(cc1F)NC(=O)C 11a_100000762756_100015343762 [0,1,0,0,0,0|0,1,0]=2 1024 B13R1.35 CSc1ccc(cc1F)NC(=O)C 1626a_100000762756_100015343762 [0,1,0,0,0,0|0,1,0]=2 1025 B13R1.35 CSc1ccc(cc1F)NC(=O)C 22a_100000762756_100000070787 [0,1,0,0,0,0|0,1,0]=2 1026 B13R1.35 CSc1ccc(cc1F)NC(=O)C 527a_100000762756_100103153847 [0,1,0,0,0,0|0,1,0]=2 1027 B13R1.35 CSc1ccc(cc1F)NC(=O)C 62a_200000210301_100011219590 [0,1,0,0,0,0|0,1,0]=2 1028 B13R1.35 CSc1ccc(cc1F)NC(C)C 2230a_100000762756_100000210206 [0,1,0,0,0,0|1,1,1]=4 1029 B13R1.35 CSc1ccc(cc1F)NC(C)C 34a_100000762756_100000210206 [0,1,0,0,0,0|1,1,1]=4 1030 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_100000187074_200000210301 [0,1,0,0,0,0|1,1,0]=3 1031 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_200000210301_100000187074 [0,1,0,0,0,0|1,1,0]=3 1032 B13R1.35 CSc1ccc(nc1F)NC(=O)C 62a_200000210301_100000050017 [0,1,0,0,0,0|1,1,0]=3 1033 B13R1.35 CSc1cnc(cc1C)NC(=O)C 62a_200000210301_100011934553 [0,1,0,0,0,0|1,1,0]=3 1034 B13R1.35 Cc1cc(ccc1S[13CH3])NC(=O)N 62a_200025704644_100000238934 [0,1,0,0,0,0|1,1,0]=3 1035 B13R1.35 [13CH3]C(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200025704644 [0,1,0,0,0,0|3,0,0]=4 1036 B13R1.36 C=Cc1ccc(cc1)N(C)C(=O)C 271570a_100011290941_200009816415 [0,1,0,0,0,0|1,0,1]=3 1037 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N 11a_100000739737_100015343762 [0,1,0,0,0,0|2,0,0]=3 1038 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N 1626a_100000739737_100015343762 [0,1,0,0,0,0|2,0,0]=3 1039 B13R1.36 CC(=O)N(C)c1ccc(cc1)N[13CH3] 34a_100000229935_200025704644 [0,1,0,0,0,0|1,0,0]=2 1040 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,1,0,0,0,0|0,0,0]=1 1041 B13R1.36 CC(=O)N(C)c1ccc(cc1)S[13CH3] 62a_200009816415_200025704644 [0,1,0,0,0,0|0,1,0]=2 1042 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 34a_200010205864_200025704644 [0,1,0,0,0,0|2,0,1]=4 1043 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 7a_200010205864_200025704644 [0,1,0,0,0,0|2,0,1]=4 1044 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100011995950_200025704644 [0,1,0,0,0,0|2,0,1]=4 1045 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100011995950_200025704644 [0,1,0,0,0,0|2,0,1]=4 1046 B13R1.36 CCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011215824 [0,1,0,0,0,0|3,0,0]=4 1047 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100000192105_200025704644 [0,1,0,0,0,0|3,0,0]=4 1048 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100000192105_200025704644 [0,1,0,0,0,0|3,0,0]=4 1049 B13R1.36 CNc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000219623 [0,1,0,0,0,0|3,0,0]=4 1050 B13R1.36 CNc1ccc(cc1)N(C)C(=O)C 34a_100000229935_200000210301 [0,1,0,0,0,0|1,0,0]=2 1051 B13R1.36 COc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000171711 [0,1,0,0,0,0|2,0,0]=3 1052 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 34a_200010205864_200000210301 [0,1,0,0,0,0|2,0,1]=4 1053 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 7a_200010205864_200000210301 [0,1,0,0,0,0|2,0,1]=4 1054 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 1458a_100000184203_100000210206 [0,1,0,0,0,0|2,0,1]=4 1055 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 34a_100011995950_200000210301 [0,1,0,0,0,0|2,0,1]=4 1056 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 7a_100011995950_200000210301 [0,1,0,0,0,0|2,0,1]=4 1057 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000184203 [0,1,0,0,0,0|3,0,0]=4 1058 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000184203 [0,1,0,0,0,0|3,0,0]=4 1059 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000184203 [0,1,0,0,0,0|3,0,0]=4 1060 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 34a_100000192105_200000210301 [0,1,0,0,0,0|3,0,0]=4 1061 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000184203 [0,1,0,0,0,0|3,0,0]=4 1062 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 7a_100000192105_200000210301 [0,1,0,0,0,0|3,0,0]=4 1063 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,1,0,0,0,0|1,0,0]=2 1064 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,1,0,0,0,0|1,0,0]=2 1065 B13R1.36 COc1ccc(cc1)C(C)N(C)C 2230a_100000736477_200000210301 [0,1,0,0,0,0|3,0,0]=4 1066 B13R1.36 COc1ccc(cc1)C(C)N(C)C 269982a_100000736477_200000210301 [0,1,0,0,0,0|3,0,0]=4 1067 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 2230a_100000736477_200025704644 [0,1,0,0,0,0|3,0,0]=4 1068 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 269982a_100000736477_200025704644 [0,1,0,0,0,0|3,0,0]=4 1069 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,1,0,0,0,0|1,0,0]=2 1070 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,1,0,0,0,0|1,0,0]=2 1071 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,1,0,0,0,0|0,0,0]=1 1072 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,1,0,0,0,0|0,0,0]=1 1073 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,1,0,0,0,0|0,0,0]=1 1074 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,1,0,0,0,0|0,0,0]=1 1075 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,1,0,0,0,0|0,0,0]=1 1076 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220023_100000210206 [0,1,0,0,0,0|1,0,1]=3 1077 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220024_200000210301 [0,1,0,0,0,0|1,0,1]=3 1078 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220023_100000210206 [0,1,0,0,0,0|1,0,1]=3 1079 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220024_200000210301 [0,1,0,0,0,0|1,0,1]=3 1080 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220023_100000210206 [0,1,0,0,0,0|1,0,1]=3 1081 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220024_200000210301 [0,1,0,0,0,0|1,0,1]=3 1082 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 2230a_100000220024_200025704644 [0,1,0,0,0,0|1,0,1]=3 1083 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 269982a_100000220024_200025704644 [0,1,0,0,0,0|1,0,1]=3 1084 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 34a_100000220024_200025704644 [0,1,0,0,0,0|1,0,1]=3 1085 B13R1.36 COc1ccc(cn1)C(=C(C)C)C 271570a_200000049429_100000047065 [0,1,0,0,0,0|3,0,0]=4 1086 B13R1.36 COc1ccc(nc1)C(=C(C)C)C 271570a_200000049429_100000755202 [0,1,0,0,0,0|3,0,0]=4 1087 B13R1.36 CSc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011263217 [0,1,0,0,0,0|2,1,0]=4 1088 B13R1.36 CSc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200000210301 [0,1,0,0,0,0|2,1,0]=4 1089 B13R1.36 CSc1ccc(cc1)N(C)C(=O)C 62a_200009816415_200000210301 [0,1,0,0,0,0|0,1,0]=2 1090 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200025704644 [0,1,0,0,0,0|2,1,0]=4 1091 B13R1.142 C/C=C/c1ccc(cc1)C=C(C)C 271570a_100102525489_100016259036 [0,1,0,0,0,0|3,0,0]=4 1092 B13R1.142 C=C=Cc1ccc(cc1)CC(=O)C 271570a_100015277604_100000691760 [0,1,0,0,0,0|2,0,1]=4 1093 B13R1.142 C=C=Cc1ccc(cc1)NC(=O)C 271570a_100015277604_100000155215 [0,1,0,0,0,0|1,0,1]=3 1094 B13R1.142 C=C=Cc1ccc(cc1)NC(=O)N 271570a_100015277604_100000198584 [0,1,0,0,0,0|2,0,1]=4 1095 B13R1.142 C=C=Cc1ccc(cc1)OC(=O)C 271570a_100015277604_100000002173 [0,1,0,0,0,0|2,0,1]=4 1096 B13R1.142 C=C=Cc1ccc(cc1)SC(=O)C 271570a_100015277604_200009995050 [0,1,0,0,0,0|2,0,1]=4 1097 B13R1.142 C=C=Cc1ccc(cn1)NC(=O)C 271570a_100015277604_100011934715 [0,1,0,0,0,0|2,0,1]=4 1098 B13R1.142 C=C=Cc1ccc(nc1)NC(=O)C 271570a_100015277604_100000193312 [0,1,0,0,0,0|2,0,1]=4 1099 B13R1.142 CC(=Cc1ccc(cc1)CCN)C 271570a_100102525489_100000755846 [0,1,0,0,0,0|3,0,0]=4 1100 B13R1.142 CC(=Cc1ccc(cc1)CCO)C 271570a_100102525489_100000766406 [0,1,0,0,0,0|3,0,0]=4 1101 B13R1.142 CC(=O)Cc1ccc(cc1)N=[N+]=[N-] 1458a_100010395652_200000210301 [0,1,0,0,0,0|3,0,0]=4 1102 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,1,0,0,0,0|1,0,0]=2 1103 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,1,0,0,0,0|1,0,0]=2 1104 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100000691760_100015361967 [0,1,0,0,0,0|1,1,0]=3 1105 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000691760 [0,1,0,0,0,0|1,1,0]=3 1106 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 11a_100000198999_100015343762 [0,1,0,0,0,0|1,0,1]=3 1107 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 1626a_100000198999_100015343762 [0,1,0,0,0,0|1,0,1]=3 1108 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 22a_100000198999_100000070787 [0,1,0,0,0,0|1,0,1]=3 1109 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 527a_100000198999_100103153847 [0,1,0,0,0,0|1,0,1]=3 1110 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,1,0,0,0,0|1,0,0]=2 1111 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,1,0,0,0,0|1,0,0]=2 1112 B13R1.142 CC(=O)Nc1ccc(cc1)CN[13CH3] 34a_100000735448_200025704644 [0,1,0,0,0,0|1,0,0]=2 1113 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,1,0,0,0,0|0,0,0]=1 1114 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,1,0,0,0,0|0,0,0]=1 1115 B13R1.142 CC(=O)Nc1ccc(cc1)CS[13CH3] 62a_200025704644_100000731167 [0,1,0,0,0,0|0,1,0]=2 1116 B13R1.142 CC(=O)Nc1ccc(cc1)N=[N+]=[N-] 22a_100000032754_100000070787 [0,1,0,0,0,0|2,0,0]=3 1117 B13R1.142 CC(=O)Nc1ccc(cc1)NCF 34a_100000184111_100015361967 [0,1,0,0,0,0|1,0,0]=2 1118 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [0,1,0,0,0,0|0,0,0]=1 1119 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [0,1,0,0,0,0|0,0,0]=1 1120 B13R1.142 CC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000155215 [0,1,0,0,0,0|0,1,0]=2 1121 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 34a_200000094647_100015361967 [0,1,0,0,0,0|1,0,0]=2 1122 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 7a_200000094647_100015361967 [0,1,0,0,0,0|1,0,0]=2 1123 B13R1.142 CC(=O)Nc1ccc(cn1)SCF 62a_100015361967_100000193312 [0,1,0,0,0,0|1,1,0]=3 1124 B13R1.142 CC(=O)Nc1ccc(nc1)SCF 62a_100015361967_100011934715 [0,1,0,0,0,0|1,1,0]=3 1125 B13R1.142 CC(=O)Nc1ccc(nn1)SCF 62a_100015361967_100011804224 [0,1,0,0,0,0|2,1,0]=4 1126 B13R1.142 CC(=O)Nc1cnc(nc1)SCF 62a_100015361967_200010565192 [0,1,0,0,0,0|2,1,0]=4 1127 B13R1.142 CC(=O)Nc1ncc(cn1)SCF 62a_100010141023_100015361967 [0,1,0,0,0,0|2,1,0]=4 1128 B13R1.142 CC(=O)Nc1ncc(cn1)SCF 62a_100015361967_100010141023 [0,1,0,0,0,0|2,1,0]=4 1129 B13R1.142 CC(=O)Oc1ccc(cc1)CS[13CH3] 62a_200025704644_100000033664 [0,1,0,0,0,0|1,1,0]=3 1130 B13R1.142 CC(=O)Oc1ccc(cc1)SCF 62a_100015361967_100000002173 [0,1,0,0,0,0|1,1,0]=3 1131 B13R1.142 CC(=O)Sc1ccc(cc1)SCF 62a_200009995050_100015361967 [0,1,0,0,0,0|1,1,0]=3 1132 B13R1.142 CC(=S)Oc1ccc(cc1)SCF 62a_100015361967_200009816735 [0,1,0,0,0,0|1,2,0]=4 1133 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 34a_200011266444_200025704644 [0,1,0,0,0,0|2,0,1]=4 1134 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 7a_200011266444_200025704644 [0,1,0,0,0,0|2,0,1]=4 1135 B13R1.142 CC(C)Nc1ccc(cc1)CCO 2230a_100011204434_100000210206 [0,1,0,0,0,0|2,0,1]=4 1136 B13R1.142 CC(C)Nc1ccc(cc1)CCO 34a_100011204434_100000210206 [0,1,0,0,0,0|2,0,1]=4 1137 B13R1.142 CC(C)Nc1ccc(cc1)SCF 62a_100000219625_100015361967 [0,1,0,0,0,0|1,1,1]=4 1138 B13R1.142 CC(C)Nc1ccc(cc1)SCF 62a_100015361967_100000219625 [0,1,0,0,0,0|1,1,1]=4 1139 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 34a_100000173089_200025704644 [0,1,0,0,0,0|2,0,1]=4 1140 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 7a_100000173089_200025704644 [0,1,0,0,0,0|2,0,1]=4 1141 B13R1.142 CC(C)Oc1ccc(cc1)OCF 34a_100000757185_100015361967 [0,1,0,0,0,0|2,0,1]=4 1142 B13R1.142 CC(C)Oc1ccc(cc1)OCF 7a_100000757185_100015361967 [0,1,0,0,0,0|2,0,1]=4 1143 B13R1.142 CC(N)Cc1ccc(cc1)OCF 34a_100102634573_100015361967 [0,1,0,0,0,0|2,0,1]=4 1144 B13R1.142 CC=Cc1ccc(cc1)CC(=O)C 271570a_100016259895_100000691760 [0,1,0,0,0,0|2,0,0]=3 1145 B13R1.142 CC=Cc1ccc(cc1)CC(=O)N 271570a_100016259895_100000162331 [0,1,0,0,0,0|3,0,0]=4 1146 B13R1.142 CC=Cc1ccc(cc1)NC(=O)C 271570a_100016259895_100000155215 [0,1,0,0,0,0|1,0,0]=2 1147 B13R1.142 CC=Cc1ccc(cc1)NC(=O)N 271570a_100016259895_100000198584 [0,1,0,0,0,0|2,0,0]=3 1148 B13R1.142 CC=Cc1ccc(cc1)NC(C)C 271570a_100016259895_100000219625 [0,1,0,0,0,0|2,0,1]=4 1149 B13R1.142 CC=Cc1ccc(cc1)OC(=O)C 271570a_100016259895_100000002173 [0,1,0,0,0,0|2,0,0]=3 1150 B13R1.142 CC=Cc1ccc(cc1)OC(=S)C 271570a_100016259895_200009816735 [0,1,0,0,0,0|2,1,0]=4 1151 B13R1.142 CC=Cc1ccc(cc1)SC(=O)C 271570a_100016259895_200009995050 [0,1,0,0,0,0|2,0,0]=3 1152 B13R1.142 CC=Cc1ccc(cn1)NC(=O)C 271570a_100016259895_100011934715 [0,1,0,0,0,0|2,0,0]=3 1153 B13R1.142 CC=Cc1ccc(nc1)NC(=O)C 271570a_100016259895_100000193312 [0,1,0,0,0,0|2,0,0]=3 1154 B13R1.142 CC=Cc1ccc(nn1)NC(=O)C 271570a_100016259895_100011804224 [0,1,0,0,0,0|3,0,0]=4 1155 B13R1.142 CC=Cc1cnc(nc1)NC(=O)C 271570a_100016259895_100010141023 [0,1,0,0,0,0|3,0,0]=4 1156 B13R1.142 CCCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000750032 [0,1,0,0,0,0|3,0,0]=4 1157 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [0,1,0,0,0,0|2,0,0]=3 1158 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [0,1,0,0,0,0|2,0,0]=3 1159 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [0,1,0,0,0,0|2,0,0]=3 1160 B13R1.142 CCCc1ccc(cc1)NC(=O)C 11a_100000211780_100015343762 [0,1,0,0,0,0|1,0,0]=2 1161 B13R1.142 CCCc1ccc(cc1)NC(=O)C 1626a_100000211780_100015343762 [0,1,0,0,0,0|1,0,0]=2 1162 B13R1.142 CCCc1ccc(cc1)NC(=O)C 22a_100000211780_100000070787 [0,1,0,0,0,0|1,0,0]=2 1163 B13R1.142 CCCc1ccc(cc1)NC(=O)C 527a_100000211780_100103153847 [0,1,0,0,0,0|1,0,0]=2 1164 B13R1.142 CCCc1ccc(cc1)NC(C)C 2230a_100000211780_100000210206 [0,1,0,0,0,0|2,0,1]=4 1165 B13R1.142 CCCc1ccc(cc1)NC(C)C 34a_100000211780_100000210206 [0,1,0,0,0,0|2,0,1]=4 1166 B13R1.142 CCNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219632 [0,1,0,0,0,0|3,0,0]=4 1167 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2230a_100000738315_100000210202 [0,1,0,0,0,0|3,0,0]=4 1168 B13R1.142 CCNc1ccc(cc1)CC(=O)N 34a_100000738315_100000210202 [0,1,0,0,0,0|3,0,0]=4 1169 B13R1.142 CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000210202 [0,1,0,0,0,0|1,0,0]=2 1170 B13R1.142 CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169946 [0,1,0,0,0,0|2,0,0]=3 1171 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,1,0,0,0,0|1,0,0]=2 1172 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,1,0,0,0,0|1,0,0]=2 1173 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,1,0,0,0,0|1,0,0]=2 1174 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,1,0,0,0,0|2,0,0]=3 1175 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,1,0,0,0,0|1,0,0]=2 1176 B13R1.142 CCOc1ccc(cc1)CC(C)N 34a_100102634573_100000210202 [0,1,0,0,0,0|2,0,1]=4 1177 B13R1.142 CCOc1ccc(cc1)CN(C)C 2230a_100000180828_200000210301 [0,1,0,0,0,0|3,0,0]=4 1178 B13R1.142 CCOc1ccc(cc1)CN(C)C 269982a_100000180828_200000210301 [0,1,0,0,0,0|3,0,0]=4 1179 B13R1.142 CCOc1ccc(cc1)CN(C)C 270004a_100102631434_100000169836 [0,1,0,0,0,0|3,0,0]=4 1180 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 2230a_100000180828_200025704644 [0,1,0,0,0,0|3,0,0]=4 1181 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 269982a_100000180828_200025704644 [0,1,0,0,0,0|3,0,0]=4 1182 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [0,1,0,0,0,0|0,0,0]=1 1183 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [0,1,0,0,0,0|0,0,0]=1 1184 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [0,1,0,0,0,0|0,0,0]=1 1185 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [0,1,0,0,0,0|0,0,0]=1 1186 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [0,1,0,0,0,0|0,0,0]=1 1187 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [0,1,0,0,0,0|0,0,0]=1 1188 B13R1.142 CCOc1ccc(cc1)NC(C)C 2230a_100000739623_100000210206 [0,1,0,0,0,0|1,0,1]=3 1189 B13R1.142 CCOc1ccc(cc1)NC(C)C 34a_100000739623_100000210206 [0,1,0,0,0,0|1,0,1]=3 1190 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000185467_100000210206 [0,1,0,0,0,0|2,0,1]=4 1191 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000757185_100000210202 [0,1,0,0,0,0|2,0,1]=4 1192 B13R1.142 CCOc1ccc(cc1)OC(C)C 7a_100000757185_100000210202 [0,1,0,0,0,0|2,0,1]=4 1193 B13R1.142 CCOc1ccc(cc1)SC(C)C 62a_100000210206_100000171712 [0,1,0,0,0,0|2,0,1]=4 1194 B13R1.142 CCOc1ccc(cn1)C=C(C)C 271570a_100102525489_100011219444 [0,1,0,0,0,0|3,0,0]=4 1195 B13R1.142 CCOc1ccc(nc1)C=C(C)C 271570a_100102525489_100000753957 [0,1,0,0,0,0|3,0,0]=4 1196 B13R1.142 CCOc1ccc(nc1)NC(=O)C 34a_200000094647_100000210202 [0,1,0,0,0,0|1,0,0]=2 1197 B13R1.142 CCOc1ccc(nc1)NC(=O)C 7a_200000094647_100000210202 [0,1,0,0,0,0|1,0,0]=2 1198 B13R1.142 CCSc1ccc(cc1)C=C(C)C 271570a_100102525489_200009811893 [0,1,0,0,0,0|2,1,0]=4 1199 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [0,1,0,0,0,0|1,1,0]=3 1200 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [0,1,0,0,0,0|1,1,0]=3 1201 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000162331_100000210202 [0,1,0,0,0,0|2,1,0]=4 1202 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000210202_100000162331 [0,1,0,0,0,0|2,1,0]=4 1203 B13R1.142 CCSc1ccc(cc1)NC(=O)C 11a_100015187087_100015343762 [0,1,0,0,0,0|0,1,0]=2 1204 B13R1.142 CCSc1ccc(cc1)NC(=O)C 1626a_100015187087_100015343762 [0,1,0,0,0,0|0,1,0]=2 1205 B13R1.142 CCSc1ccc(cc1)NC(=O)C 22a_100015187087_100000070787 [0,1,0,0,0,0|0,1,0]=2 1206 B13R1.142 CCSc1ccc(cc1)NC(=O)C 527a_100015187087_100103153847 [0,1,0,0,0,0|0,1,0]=2 1207 B13R1.142 CCSc1ccc(cc1)NC(=O)C 62a_100000210202_100000155215 [0,1,0,0,0,0|0,1,0]=2 1208 B13R1.142 CCSc1ccc(cc1)NC(=O)N 62a_100000210202_100000198584 [0,1,0,0,0,0|1,1,0]=3 1209 B13R1.142 CCSc1ccc(cc1)NC(C)C 34a_100015187087_100000210206 [0,1,0,0,0,0|1,1,1]=4 1210 B13R1.142 CCSc1ccc(cc1)NC(C)C 62a_100000210202_100000219625 [0,1,0,0,0,0|1,1,1]=4 1211 B13R1.142 CCSc1ccc(cc1)NC(C)C 62a_100000219625_100000210202 [0,1,0,0,0,0|1,1,1]=4 1212 B13R1.142 CCSc1ccc(cc1)OC(=O)C 62a_100000210202_100000002173 [0,1,0,0,0,0|1,1,0]=3 1213 B13R1.142 CCSc1ccc(cc1)OC(=S)C 62a_100000210202_200009816735 [0,1,0,0,0,0|1,2,0]=4 1214 B13R1.142 CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210202 [0,1,0,0,0,0|1,1,0]=3 1215 B13R1.142 CCSc1ccc(cn1)NC(=O)C 62a_100000210202_100011934715 [0,1,0,0,0,0|1,1,0]=3 1216 B13R1.142 CCSc1ccc(nc1)NC(=O)C 62a_100000210202_100000193312 [0,1,0,0,0,0|1,1,0]=3 1217 B13R1.142 CCSc1ccc(nn1)NC(=O)C 62a_100000210202_100011804224 [0,1,0,0,0,0|2,1,0]=4 1218 B13R1.142 CCSc1cnc(nc1)NC(=O)C 62a_100000210202_100010141023 [0,1,0,0,0,0|2,1,0]=4 1219 B13R1.142 CCSc1cnc(nc1)NC(=O)C 62a_100010141023_100000210202 [0,1,0,0,0,0|2,1,0]=4 1220 B13R1.142 CCSc1ncc(cn1)NC(=O)C 62a_100000210202_200010565192 [0,1,0,0,0,0|2,1,0]=4 1221 B13R1.142 CNCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000180866 [0,1,0,0,0,0|3,0,0]=4 1222 B13R1.142 CNCc1ccc(cc1)CC(=O)O 269956a_100016989728_200000210301 [0,1,0,0,0,0|3,0,0]=4 1223 B13R1.142 CNCc1ccc(cc1)NC(=O)C 207a_100102657272_100000210072 [0,1,0,0,0,0|1,0,0]=2 1224 B13R1.142 CNCc1ccc(cc1)NC(=O)C 2230a_106832991635_100000731167 [0,1,0,0,0,0|1,0,0]=2 1225 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100000735448_200000210301 [0,1,0,0,0,0|1,0,0]=2 1226 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100102657272_100000731167 [0,1,0,0,0,0|1,0,0]=2 1227 B13R1.142 CNCc1ccc(cc1)NC(=O)C 7a_106832991635_100000731167 [0,1,0,0,0,0|1,0,0]=2 1228 B13R1.142 CNCc1ccc(cc1)OC(=O)C 207a_100102657272_100000014718 [0,1,0,0,0,0|2,0,0]=3 1229 B13R1.142 CNCc1ccc(cc1)OC(=O)C 2230a_106832991635_100000033664 [0,1,0,0,0,0|2,0,0]=3 1230 B13R1.142 CNCc1ccc(cc1)OC(=O)C 270004a_106832991635_100000014718 [0,1,0,0,0,0|2,0,0]=3 1231 B13R1.142 CNCc1ccc(cc1)OC(=O)C 7a_106832991635_100000033664 [0,1,0,0,0,0|2,0,0]=3 1232 B13R1.142 COCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011493685 [0,1,0,0,0,0|2,0,0]=3 1233 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,1,0,0,0,0|1,0,0]=2 1234 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,1,0,0,0,0|1,0,0]=2 1235 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_100138415774_100011982790 [0,1,0,0,0,0|2,0,1]=4 1236 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_200011266444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1237 B13R1.142 COCc1ccc(cc1)CC(C)C 7a_200011266444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1238 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,1,0,0,0,0|0,0,0]=1 1239 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,1,0,0,0,0|0,0,0]=1 1240 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,1,0,0,0,0|0,0,0]=1 1241 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,1,0,0,0,0|0,0,0]=1 1242 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,1,0,0,0,0|0,0,0]=1 1243 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,1,0,0,0,0|0,0,0]=1 1244 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,1,0,0,0,0|0,0,0]=1 1245 B13R1.142 COCc1ccc(cc1)NC(C)C 34a_100000694113_100000210206 [0,1,0,0,0,0|1,0,1]=3 1246 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_100000173089_200000210301 [0,1,0,0,0,0|2,0,1]=4 1247 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_200011995677_100000210206 [0,1,0,0,0,0|2,0,1]=4 1248 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_100000173089_200000210301 [0,1,0,0,0,0|2,0,1]=4 1249 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_200011995677_100000210206 [0,1,0,0,0,0|2,0,1]=4 1250 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100000210206_100011493685 [0,1,0,0,0,0|2,0,1]=4 1251 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100011493685_100000210206 [0,1,0,0,0,0|2,0,1]=4 1252 B13R1.142 CSCc1ccc(cc1)NC(=O)C 11a_106726388226_100015343762 [0,1,0,0,0,0|0,1,0]=2 1253 B13R1.142 CSCc1ccc(cc1)NC(=O)C 1626a_106726388226_100015343762 [0,1,0,0,0,0|0,1,0]=2 1254 B13R1.142 CSCc1ccc(cc1)NC(=O)C 22a_106726388226_100000070787 [0,1,0,0,0,0|0,1,0]=2 1255 B13R1.142 CSCc1ccc(cc1)NC(=O)C 527a_106726388226_100103153847 [0,1,0,0,0,0|0,1,0]=2 1256 B13R1.142 CSCc1ccc(cc1)NC(=O)C 62a_200000210301_100000731167 [0,1,0,0,0,0|0,1,0]=2 1257 B13R1.142 CSCc1ccc(cc1)NC(C)C 2230a_106726388226_100000210206 [0,1,0,0,0,0|1,1,1]=4 1258 B13R1.142 CSCc1ccc(cc1)NC(C)C 34a_106726388226_100000210206 [0,1,0,0,0,0|1,1,1]=4 1259 B13R1.142 CSCc1ccc(cc1)NC(C)C 7a_106726388226_100000210206 [0,1,0,0,0,0|1,1,1]=4 1260 B13R1.142 CSCc1ccc(cc1)OC(=O)C 62a_200000210301_100000033664 [0,1,0,0,0,0|1,1,0]=3 1261 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 34a_100000738315_100015361967 [0,1,0,0,0,0|3,0,0]=4 1262 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,1,0,0,0,0|2,0,0]=3 1263 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100000162331_100015361967 [0,1,0,0,0,0|2,1,0]=4 1264 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000162331 [0,1,0,0,0,0|2,1,0]=4 1265 B13R1.142 NC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000198584 [0,1,0,0,0,0|1,1,0]=3 1266 B13R1.142 [13CH3]C(=O)Cc1ccc(cc1)N=[N+]=[N-] 1458a_100010395652_200025704644 [0,1,0,0,0,0|3,0,0]=4 1267 B13R1.142 [13CH3]NCc1ccc(cc1)CC(=O)O 269956a_100016989728_200025704644 [0,1,0,0,0,0|3,0,0]=4 1268 B13R1.585 C=C(C)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000185454 [0,1,0,0,0,0|3,0,0]=4 1269 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)C 271570a_100000694244_100000691760 [0,1,0,0,0,0|2,0,0]=3 1270 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)N 271570a_100000694244_100000162331 [0,1,0,0,0,0|3,0,0]=4 1271 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)C 271570a_100000694244_100000155215 [0,1,0,0,0,0|1,0,0]=2 1272 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)N 271570a_100000694244_100000198584 [0,1,0,0,0,0|2,0,0]=3 1273 B13R1.585 C=C(C)c1ccc(cc1)NC(C)C 271570a_100000694244_100000219625 [0,1,0,0,0,0|2,0,1]=4 1274 B13R1.585 C=C(C)c1ccc(cc1)OC(=O)C 271570a_100000694244_100000002173 [0,1,0,0,0,0|2,0,0]=3 1275 B13R1.585 C=C(C)c1ccc(cc1)OC(=S)C 271570a_100000694244_200009816735 [0,1,0,0,0,0|2,1,0]=4 1276 B13R1.585 C=C(C)c1ccc(cc1)SC(=O)C 271570a_100000694244_200009995050 [0,1,0,0,0,0|2,0,0]=3 1277 B13R1.585 C=C(C)c1ccc(cn1)NC(=O)C 271570a_100000694244_100011934715 [0,1,0,0,0,0|2,0,0]=3 1278 B13R1.585 C=C(C)c1ccc(nc1)NC(=O)C 271570a_100000694244_100000193312 [0,1,0,0,0,0|2,0,0]=3 1279 B13R1.585 C=C(C)c1ccc(nn1)NC(=O)C 271570a_100000694244_100011804224 [0,1,0,0,0,0|3,0,0]=4 1280 B13R1.585 C=C(C)c1cnc(nc1)NC(=O)C 271570a_100000694244_100010141023 [0,1,0,0,0,0|3,0,0]=4 1281 B13R1.585 CC(=Cc1ccc(cc1)C(C)C)C 271570a_100102525489_100000750031 [0,1,0,0,0,0|3,0,0]=4 1282 B13R1.585 CC(=Cc1ccc(cc1)C(C)O)C 271570a_100102525489_100000745893 [0,1,0,0,0,0|3,0,0]=4 1283 B13R1.585 CC(=Cc1ccc(cc1)N(C)C)C 271570a_100102525489_100000210421 [0,1,0,0,0,0|3,0,0]=4 1284 B13R1.585 CC(=Cc1ccc(cc1)S(=O)C)C 271570a_100102525489_100009816266 [0,1,0,0,0,0|2,1,0]=4 1285 B13R1.585 CC(=Cc1ccc(cc1)[C@@H](C)N)C 271570a_100102525489_100000720352 [0,1,0,0,0,0|3,0,0]=4 1286 B13R1.585 CC(=Cc1ccc(cc1)[C@H](C)N)C 271570a_100102525489_100000753911 [0,1,0,0,0,0|3,0,0]=4 1287 B13R1.585 CC(=O)Cc1ccc(cc1)B(O)O 1458a_100000070787_100009813762 [0,1,0,0,0,0|3,0,0]=4 1288 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000070787_100000756337 [0,1,0,0,0,0|2,0,0]=3 1289 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)N 1458a_100000070787_100000231043 [0,1,0,0,0,0|3,0,0]=4 1290 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,1,0,0,0,0|2,0,0]=3 1291 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,1,0,0,0,0|2,0,0]=3 1292 B13R1.585 CC(=O)Cc1ccc(cc1)C(F)F 1458a_100000070787_200012343607 [0,1,0,0,0,0|3,0,0]=4 1293 B13R1.585 CC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_200000210301 [0,1,0,0,0,0|2,0,0]=3 1294 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100000181861 [0,1,0,0,0,0|3,0,0]=4 1295 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200000210301 [0,1,0,0,0,0|3,0,0]=4 1296 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C 1458a_100000185149_200000210301 [0,1,0,0,0,0|1,0,0]=2 1297 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 11a_100000210537_100015343762 [0,1,0,0,0,0|2,0,0]=3 1298 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 1626a_100000210537_100015343762 [0,1,0,0,0,0|2,0,0]=3 1299 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 22a_100000210537_100000070787 [0,1,0,0,0,0|2,0,0]=3 1300 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 527a_100000210537_100103153847 [0,1,0,0,0,0|2,0,0]=3 1301 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000185149_200025704644 [0,1,0,0,0,0|1,0,0]=2 1302 B13R1.585 CC(=O)Nc1ccc(cc1)C(=S)N 1626a_100000739662_100015343762 [0,1,0,0,0,0|2,0,0]=3 1303 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100015343762 [0,1,0,0,0,0|1,0,0]=2 1304 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100015343762 [0,1,0,0,0,0|1,0,0]=2 1305 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000070787 [0,1,0,0,0,0|1,0,0]=2 1306 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100103153847 [0,1,0,0,0,0|1,0,0]=2 1307 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,1,0,0,0,0|1,0,0]=2 1308 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,1,0,0,0,0|1,0,0]=2 1309 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 11a_100020620101_100015343762 [0,1,0,0,0,0|2,0,0]=3 1310 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 1626a_100020620101_100015343762 [0,1,0,0,0,0|2,0,0]=3 1311 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 22a_100020620101_100000070787 [0,1,0,0,0,0|2,0,0]=3 1312 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 527a_100020620101_100103153847 [0,1,0,0,0,0|2,0,0]=3 1313 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 11a_100016997997_100015343762 [0,1,0,0,0,0|1,0,0]=2 1314 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100015343762 [0,1,0,0,0,0|1,0,0]=2 1315 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 2230a_100000219403_200000210301 [0,1,0,0,0,0|1,0,0]=2 1316 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000070787 [0,1,0,0,0,0|1,0,0]=2 1317 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 269982a_100000219403_200000210301 [0,1,0,0,0,0|1,0,0]=2 1318 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 34a_100000219403_200000210301 [0,1,0,0,0,0|1,0,0]=2 1319 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 38a_100000219403_200000210301 [0,1,0,0,0,0|1,0,0]=2 1320 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 527a_100016997997_100103153847 [0,1,0,0,0,0|1,0,0]=2 1321 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 2230a_100000219403_200025704644 [0,1,0,0,0,0|1,0,0]=2 1322 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 269982a_100000219403_200025704644 [0,1,0,0,0,0|1,0,0]=2 1323 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 34a_100000219403_200025704644 [0,1,0,0,0,0|1,0,0]=2 1324 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 38a_100000219403_200025704644 [0,1,0,0,0,0|1,0,0]=2 1325 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100015343762 [0,1,0,0,0,0|2,0,0]=3 1326 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100015343762 [0,1,0,0,0,0|2,0,0]=3 1327 B13R1.585 CC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000185465 [0,1,0,0,0,0|3,0,0]=4 1328 B13R1.585 CC(=O)c1ccc(cc1)NC(=S)N 1458a_100000010067_200000210301 [0,1,0,0,0,0|2,1,0]=4 1329 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 2230a_100000210773_100000210206 [0,1,0,0,0,0|2,0,1]=4 1330 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 34a_100000210773_100000210206 [0,1,0,0,0,0|2,0,1]=4 1331 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 7a_100000210773_100000210206 [0,1,0,0,0,0|2,0,1]=4 1332 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 2230a_100011216399_100000210206 [0,1,0,0,0,0|2,0,1]=4 1333 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 34a_100011216399_100000210206 [0,1,0,0,0,0|2,0,1]=4 1334 B13R1.585 CC(C)Nc1ccc(cc1)N(C)C 34a_100016997997_100000210206 [0,1,0,0,0,0|2,0,1]=4 1335 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,1,0,0,0,0|2,0,0]=3 1336 B13R1.585 CN(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011218386_200025704644 [0,1,0,0,0,0|2,0,0]=3 1337 B13R1.585 [13CH3]C(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200025704644 [0,1,0,0,0,0|3,0,0]=4 1338 B13R1.585 [13CH3]C(=O)c1ccc(cc1)NC(=S)N 1458a_100000010067_200025704644 [0,1,0,0,0,0|2,1,0]=4 1339 B13R1.653 C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100011290941_100000152120 [0,1,0,0,0,0|1,0,1]=3 1340 B13R1.653 C=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100011290941_100011273303 [0,1,0,0,0,0|1,0,1]=3 1341 B13R1.653 C=Cc1ccc(c(c1)F)NC(=O)C 271570a_100011290941_100000155584 [0,1,0,0,0,0|1,0,1]=3 1342 B13R1.653 C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100011290941_100009811628 [0,1,0,0,0,0|2,0,1]=4 1343 B13R1.653 C=Cc1ccc(c(c1)N)NC(=O)C 271570a_100011290941_100000749274 [0,1,0,0,0,0|1,0,1]=3 1344 B13R1.653 C=Cc1cnc(c(c1)C)NC(=O)C 271570a_100011290941_200011934169 [0,1,0,0,0,0|2,0,1]=4 1345 B13R1.653 CC(=O)Cc1ccc(cc1Br)C#N 1458a_100000070787_100000694769 [0,1,0,0,0,0|3,0,0]=4 1346 B13R1.653 CC(=O)Cc1ccc(cc1Cl)C#N 1458a_100000070787_100000709902 [0,1,0,0,0,0|3,0,0]=4 1347 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,1,0,0,0,0|1,0,0]=2 1348 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,1,0,0,0,0|1,0,0]=2 1349 B13R1.653 CC(=O)Cc1ccc(cc1F)C#N 1458a_100000070787_100000239720 [0,1,0,0,0,0|3,0,0]=4 1350 B13R1.653 CC(=O)Cc1ccc(cc1I)C#N 1458a_100000070787_100010079267 [0,1,0,0,0,0|3,0,0]=4 1351 B13R1.653 CC(=O)Nc1ccc(cc1Br)C#N 1626a_100000736769_100015343762 [0,1,0,0,0,0|2,0,0]=3 1352 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 11a_100011216260_100015343762 [0,1,0,0,0,0|2,0,0]=3 1353 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 1626a_100011216260_100015343762 [0,1,0,0,0,0|2,0,0]=3 1354 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 527a_100011216260_100103153847 [0,1,0,0,0,0|2,0,0]=3 1355 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,1,0,0,0,0|2,0,0]=3 1356 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 34a_100000736504_200025704644 [0,1,0,0,0,0|1,0,0]=2 1357 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 7a_100000736504_200025704644 [0,1,0,0,0,0|1,0,0]=2 1358 B13R1.653 CC(=O)Nc1ccc(cc1C)S[13CH3] 62a_200025704644_100000152120 [0,1,0,0,0,0|0,1,0]=2 1359 B13R1.653 CC(=O)Nc1ccc(cc1Cl)C#N 1626a_100000690208_100015343762 [0,1,0,0,0,0|2,0,0]=3 1360 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 34a_100000244014_200025704644 [0,1,0,0,0,0|1,0,0]=2 1361 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 7a_100000244014_200025704644 [0,1,0,0,0,0|1,0,0]=2 1362 B13R1.653 CC(=O)Nc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011273303 [0,1,0,0,0,0|0,1,0]=2 1363 B13R1.653 CC(=O)Nc1ccc(cc1F)C#N 11a_100000760432_100015343762 [0,1,0,0,0,0|2,0,0]=3 1364 B13R1.653 CC(=O)Nc1ccc(cc1F)C#N 1626a_100000760432_100015343762 [0,1,0,0,0,0|2,0,0]=3 1365 B13R1.653 CC(=O)Nc1ccc(cc1F)S[13CH3] 62a_200025704644_100000155584 [0,1,0,0,0,0|0,1,0]=2 1366 B13R1.653 CC(=O)Nc1ccc(cc1I)C#N 1626a_100000067503_100015343762 [0,1,0,0,0,0|2,0,0]=3 1367 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 22a_100011997735_100000070787 [0,1,0,0,0,0|2,0,0]=3 1368 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 271570a_203496583355_200011214909 [0,1,0,0,0,0|2,0,0]=3 1369 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 527a_100011997735_100103153847 [0,1,0,0,0,0|2,0,0]=3 1370 B13R1.653 CC(=O)Nc1ncc(cc1C)S[13CH3] 62a_200025704644_200011934169 [0,1,0,0,0,0|1,1,0]=3 1371 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_100009811628_200025704644 [0,1,0,0,0,0|1,1,0]=3 1372 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811628 [0,1,0,0,0,0|1,1,0]=3 1373 B13R1.653 CCc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_200009997437 [0,1,0,0,0,0|3,0,0]=4 1374 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 11a_100012339725_100015343762 [0,1,0,0,0,0|1,0,0]=2 1375 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 1626a_100012339725_100015343762 [0,1,0,0,0,0|1,0,0]=2 1376 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 527a_100012339725_100103153847 [0,1,0,0,0,0|1,0,0]=2 1377 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 2230a_100012339725_100000210206 [0,1,0,0,0,0|2,0,1]=4 1378 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C 34a_100012339725_100000210206 [0,1,0,0,0,0|2,0,1]=4 1379 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [0,1,0,0,0,0|1,0,0]=2 1380 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [0,1,0,0,0,0|1,0,0]=2 1381 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [0,1,0,0,0,0|1,0,0]=2 1382 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [0,1,0,0,0,0|1,0,0]=2 1383 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 2230a_100011226020_100000210206 [0,1,0,0,0,0|2,0,1]=4 1384 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 34a_100011226020_100000210206 [0,1,0,0,0,0|2,0,1]=4 1385 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 7a_100011226020_100000210206 [0,1,0,0,0,0|2,0,1]=4 1386 B13R1.653 CCc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_200010339503 [0,1,0,0,0,0|3,0,0]=4 1387 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 11a_100016177294_100015343762 [0,1,0,0,0,0|1,0,0]=2 1388 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 1626a_100016177294_100015343762 [0,1,0,0,0,0|1,0,0]=2 1389 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 22a_100016177294_100000070787 [0,1,0,0,0,0|1,0,0]=2 1390 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 527a_100016177294_100103153847 [0,1,0,0,0,0|1,0,0]=2 1391 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 2230a_100016177294_100000210206 [0,1,0,0,0,0|2,0,1]=4 1392 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 34a_100016177294_100000210206 [0,1,0,0,0,0|2,0,1]=4 1393 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [0,1,0,0,0,0|1,0,0]=2 1394 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [0,1,0,0,0,0|1,0,0]=2 1395 B13R1.653 CCc1ccc(c(c1)O)NC(C)C 34a_100000124328_100000210206 [0,1,0,0,0,0|2,0,1]=4 1396 B13R1.653 CNc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100102888905 [0,1,0,0,0,0|3,0,0]=4 1397 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_200000210301 [0,1,0,0,0,0|1,0,0]=2 1398 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_200000210301 [0,1,0,0,0,0|1,0,0]=2 1399 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_200000210301 [0,1,0,0,0,0|1,0,0]=2 1400 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_200000210301 [0,1,0,0,0,0|1,0,0]=2 1401 B13R1.653 CNc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100012285320 [0,1,0,0,0,0|3,0,0]=4 1402 B13R1.653 COc1cc(c(cn1)C=C(C)C)C 271570a_100102525489_100011934368 [0,1,0,0,0,0|3,0,0]=4 1403 B13R1.653 COc1cc(c(cn1)C=C(C)C)F 271570a_100102525489_100010136277 [0,1,0,0,0,0|3,0,0]=4 1404 B13R1.653 COc1cc(c(cn1)C=C(C)C)N 271570a_100102525489_100010254562 [0,1,0,0,0,0|3,0,0]=4 1405 B13R1.653 COc1cc(c(cn1)C=C(C)C)O 271570a_100102525489_100010738159 [0,1,0,0,0,0|3,0,0]=4 1406 B13R1.653 COc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100012349170 [0,1,0,0,0,0|2,0,0]=3 1407 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,1,0,0,0,0|1,0,0]=2 1408 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,1,0,0,0,0|1,0,0]=2 1409 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,1,0,0,0,0|1,0,0]=2 1410 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 2230a_100102631434_100011982828 [0,1,0,0,0,0|3,0,0]=4 1411 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 269982a_100102631434_100011982828 [0,1,0,0,0,0|3,0,0]=4 1412 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000723261 [0,1,0,0,0,0|3,0,0]=4 1413 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,1,0,0,0,0|0,0,0]=1 1414 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,1,0,0,0,0|0,0,0]=1 1415 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,1,0,0,0,0|0,0,0]=1 1416 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,1,0,0,0,0|0,0,0]=1 1417 B13R1.653 COc1ccc(c(c1)Br)NC(C)C 34a_100015195136_100000210206 [0,1,0,0,0,0|1,0,1]=3 1418 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 34a_100000685887_100000210206 [0,1,0,0,0,0|2,0,1]=4 1419 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 7a_100000685887_100000210206 [0,1,0,0,0,0|2,0,1]=4 1420 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100012349170 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100012349170_100000210206 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.653 COc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000759875 [0,1,0,0,0,0|2,0,0]=3 1423 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,1,0,0,0,0|1,0,0]=2 1424 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,1,0,0,0,0|1,0,0]=2 1425 B13R1.653 COc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100011214997 [0,1,0,0,0,0|3,0,0]=4 1426 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,1,0,0,0,0|0,0,0]=1 1427 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,1,0,0,0,0|0,0,0]=1 1428 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,1,0,0,0,0|0,0,0]=1 1429 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,1,0,0,0,0|0,0,0]=1 1430 B13R1.653 COc1ccc(c(c1)C)NC(C)C 34a_100000750285_100000210206 [0,1,0,0,0,0|1,0,1]=3 1431 B13R1.653 COc1ccc(c(c1)C)OC(C)C 34a_100012002223_100000210206 [0,1,0,0,0,0|2,0,1]=4 1432 B13R1.653 COc1ccc(c(c1)C)OC(C)C 7a_100012002223_100000210206 [0,1,0,0,0,0|2,0,1]=4 1433 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000210206_100000759875 [0,1,0,0,0,0|2,0,1]=4 1434 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000759875_100000210206 [0,1,0,0,0,0|2,0,1]=4 1435 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,1,0,0,0,0|1,0,0]=2 1436 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,1,0,0,0,0|1,0,0]=2 1437 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,1,0,0,0,0|1,0,0]=2 1438 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,1,0,0,0,0|1,0,0]=2 1439 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,1,0,0,0,0|1,0,0]=2 1440 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_200011830453 [0,1,0,0,0,0|3,0,0]=4 1441 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_200011830453 [0,1,0,0,0,0|3,0,0]=4 1442 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100000235372 [0,1,0,0,0,0|3,0,0]=4 1443 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,1,0,0,0,0|0,0,0]=1 1444 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,1,0,0,0,0|0,0,0]=1 1445 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,1,0,0,0,0|0,0,0]=1 1446 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,1,0,0,0,0|0,0,0]=1 1447 B13R1.653 COc1ccc(c(c1)Cl)NC(C)C 34a_100000747055_100000210206 [0,1,0,0,0,0|1,0,1]=3 1448 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 34a_100000038596_100000210206 [0,1,0,0,0,0|2,0,1]=4 1449 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 7a_100000038596_100000210206 [0,1,0,0,0,0|2,0,1]=4 1450 B13R1.653 COc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000753793 [0,1,0,0,0,0|2,0,0]=3 1451 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,1,0,0,0,0|1,0,0]=2 1452 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,1,0,0,0,0|1,0,0]=2 1453 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,1,0,0,0,0|1,0,0]=2 1454 B13R1.653 COc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011260761 [0,1,0,0,0,0|3,0,0]=4 1455 B13R1.653 COc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011260761 [0,1,0,0,0,0|3,0,0]=4 1456 B13R1.653 COc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011216087 [0,1,0,0,0,0|3,0,0]=4 1457 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,1,0,0,0,0|0,0,0]=1 1458 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,1,0,0,0,0|0,0,0]=1 1459 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,1,0,0,0,0|0,0,0]=1 1460 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,1,0,0,0,0|0,0,0]=1 1461 B13R1.653 COc1ccc(c(c1)F)NC(C)C 34a_100011299463_100000210206 [0,1,0,0,0,0|1,0,1]=3 1462 B13R1.653 COc1ccc(c(c1)F)OC(C)C 34a_100000036999_100000210206 [0,1,0,0,0,0|2,0,1]=4 1463 B13R1.653 COc1ccc(c(c1)F)OC(C)C 7a_100000036999_100000210206 [0,1,0,0,0,0|2,0,1]=4 1464 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000210206_100000753793 [0,1,0,0,0,0|2,0,1]=4 1465 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000753793_100000210206 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.653 COc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010159643 [0,1,0,0,0,0|3,0,0]=4 1467 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,1,0,0,0,0|0,0,0]=1 1468 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,1,0,0,0,0|0,0,0]=1 1469 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,1,0,0,0,0|0,0,0]=1 1470 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,1,0,0,0,0|0,0,0]=1 1471 B13R1.653 COc1ccc(c(c1)I)NC(C)C 34a_100000049804_100000210206 [0,1,0,0,0,0|1,0,1]=3 1472 B13R1.653 COc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100000748021 [0,1,0,0,0,0|2,0,0]=3 1473 B13R1.653 COc1ccc(c(c1)N)OC(C)C 34a_100000188146_100000210206 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000210206_100000748021 [0,1,0,0,0,0|2,0,1]=4 1475 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000748021_100000210206 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,1,0,0,0,0|2,0,0]=3 1477 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,1,0,0,0,0|0,0,0]=1 1478 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,1,0,0,0,0|0,0,0]=1 1479 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [0,1,0,0,0,0|1,0,1]=3 1480 B13R1.653 COc1ccc(c(c1)O)SC(C)C 62a_100000210206_100000719091 [0,1,0,0,0,0|2,0,1]=4 1481 B13R1.653 COc1ccc(c(n1)C)C=C(C)C 271570a_100102525489_100000766551 [0,1,0,0,0,0|3,0,0]=4 1482 B13R1.653 COc1ccc(c(n1)F)C=C(C)C 271570a_100102525489_100010067559 [0,1,0,0,0,0|3,0,0]=4 1483 B13R1.653 COc1ccc(c(n1)N)C=C(C)C 271570a_100102525489_100010187629 [0,1,0,0,0,0|3,0,0]=4 1484 B13R1.653 COc1cnc(c(c1)C)C=C(C)C 271570a_100102525489_200009851512 [0,1,0,0,0,0|3,0,0]=4 1485 B13R1.653 COc1cnc(c(c1)N)C=C(C)C 271570a_100102525489_100010074831 [0,1,0,0,0,0|3,0,0]=4 1486 B13R1.653 CSc1ccc(c(c1)C)NC(=O)C 62a_200000210301_100000152120 [0,1,0,0,0,0|0,1,0]=2 1487 B13R1.653 CSc1ccc(c(c1)Cl)NC(=O)C 62a_200000210301_100011273303 [0,1,0,0,0,0|0,1,0]=2 1488 B13R1.653 CSc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100009816902 [0,1,0,0,0,0|2,1,0]=4 1489 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 11a_100012056844_100015343762 [0,1,0,0,0,0|0,1,0]=2 1490 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 1626a_100012056844_100015343762 [0,1,0,0,0,0|0,1,0]=2 1491 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 22a_100012056844_100000070787 [0,1,0,0,0,0|0,1,0]=2 1492 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 527a_100012056844_100103153847 [0,1,0,0,0,0|0,1,0]=2 1493 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 62a_200000210301_100000155584 [0,1,0,0,0,0|0,1,0]=2 1494 B13R1.653 CSc1ccc(c(c1)F)NC(C)C 34a_100012056844_100000210206 [0,1,0,0,0,0|1,1,1]=4 1495 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_200000210301 [0,1,0,0,0,0|1,1,0]=3 1496 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_200000210301_100009811628 [0,1,0,0,0,0|1,1,0]=3 1497 B13R1.653 CSc1cnc(c(c1)C)NC(=O)C 62a_200000210301_200011934169 [0,1,0,0,0,0|1,1,0]=3 1498 B13R2.184 CCc1ccc(cc1)NC2CC2 34a_100000211069_100000211595 [0,0,0,1,0,0|2,0,1]=4 1499 B13R2.184 COc1ccc(cc1)NC2CC2 34a_100000184247_100000211595 [0,0,0,1,0,0|1,0,1]=3 1500 B13R2.184 COc1ccc(cc1)OC2CC2 34a_100000210503_100000211595 [0,0,0,1,0,0|2,0,1]=4 1501 B13R2.184 CSc1ccc(cc1)NC2CC2 34a_100000212337_100000211595 [0,0,0,1,0,0|1,1,1]=4 1502 B13R2.1279 CC(=Cc1ccc2c(c1)CC2)C 271570a_100102525489_100009818592 [0,0,0,1,0,0|3,0,0]=4 1503 B13R2.2121 C=Cc1cc2c(cn1)NC(=O)C2 271570a_100011290941_100000104063 [0,0,0,1,0,0|2,0,1]=4 1504 B13R2.2121 C=Cc1ccc2[nH]c(=O)[nH]c2c1 271570a_100011290941_100011221360 [0,0,0,1,0,0|2,0,1]=4 1505 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,0,0,1,0,0|2,0,1]=4 1506 B13R2.2121 C=Cc1ccc2[nH]c(=O)sc2c1 271570a_100011290941_100009813980 [0,0,0,1,0,0|2,0,1]=4 1507 B13R2.2121 C=Cc1ccc2[nH]c(cc2c1)C 271570a_100011290941_100011214893 [0,0,0,1,0,0|2,0,1]=4 1508 B13R2.2121 C=Cc1ccc2[nH]c(nc2c1)C 271570a_100011290941_100011264012 [0,0,0,1,0,0|2,0,1]=4 1509 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)C2 271570a_100011290941_100010185598 [0,0,0,1,0,0|2,0,1]=4 1510 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)N2 271570a_100011290941_100000754858 [0,0,0,1,0,0|1,0,1]=3 1511 B13R2.2121 C=Cc1ccc2c(n1)CC(=O)N2 271570a_100011290941_100000087150 [0,0,0,1,0,0|2,0,1]=4 1512 B13R2.2121 C=Cc1cnc2c(c1)CC(=O)N2 271570a_100011290941_100010177629 [0,0,0,1,0,0|2,0,1]=4 1513 B13R2.2121 CNc1ccc2nc(oc2c1)C 34a_100000736495_200000210301 [0,0,0,1,0,0|1,0,2]=4 1514 B13R2.2121 CNc1ccc2oc(nc2c1)C 34a_100000195416_200000210301 [0,0,0,1,0,0|3,0,0]=4 1515 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,0,0,1,0,0|1,0,0]=2 1516 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,0,0,1,0,0|1,0,0]=2 1517 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,0,0,1,0,0|1,0,0]=2 1518 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,0,0,1,0,0|1,0,0]=2 1519 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,0,0,1,0,0|1,0,0]=2 1520 B13R2.2121 COc1ccc2c(c1)CN(C2)C 269982a_100000051402_200000210301 [0,0,0,1,0,0|3,0,0]=4 1521 B13R2.2121 COc1ccc2c(c1)CN(C2)C 34a_100000051402_200000210301 [0,0,0,1,0,0|3,0,0]=4 1522 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 269982a_100000051402_200025704644 [0,0,0,1,0,0|3,0,0]=4 1523 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 34a_100000051402_200025704644 [0,0,0,1,0,0|3,0,0]=4 1524 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,0,0,1,0,0|2,0,0]=3 1525 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,0,0,1,0,0|1,0,1]=3 1526 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,0,0,1,0,0|1,0,1]=3 1527 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,0,0,1,0,0|0,0,2]=3 1528 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,0,0,1,0,0|0,0,2]=3 1529 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,0,0,1,0,0|1,1,1]=4 1530 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,0,0,1,0,0|0,1,1]=3 1531 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,0,0,1,0,0|0,1,1]=3 1532 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,0,0,1,0,0|1,1,1]=4 1533 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,0,0,1,0,0|1,0,2]=4 1534 B13R2.2121 COc1ccc2nn(cc2c1)C 34a_100000106843_200000210301 [0,0,0,1,0,0|2,0,1]=4 1535 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,0,0,1,0,0|2,0,0]=3 1536 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,0,0,1,0,0|2,0,0]=3 1537 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,0,0,1,0,0|3,0,0]=4 1538 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,0,0,1,0,0|3,0,0]=4 1539 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,0,0,1,0,0|2,0,0]=3 1540 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,0,0,1,0,0|2,0,0]=3 1541 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,0,0,1,0,0|3,0,0]=4 1542 B13R2.2121 COc1ccn2cc(nc2c1)C 34a_106256048495_200000210301 [0,0,0,1,0,0|3,0,0]=4 1543 B13R2.2121 CSc1cc2c(cn1)NC(=O)C2 62a_200000210301_100000104063 [0,0,0,1,0,0|1,1,0]=3 1544 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,0,0,1,0,0|1,1,0]=3 1545 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,0,0,1,0,0|1,1,0]=3 1546 B13R2.2121 CSc1ccc2[nH]c(cc2c1)C 62a_200000210301_100011214893 [0,0,0,1,0,0|1,1,0]=3 1547 B13R2.2121 CSc1ccc2[nH]c(nc2c1)C 62a_200000210301_100011264012 [0,0,0,1,0,0|1,1,0]=3 1548 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,0,0,1,0,0|1,1,0]=3 1549 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,0,0,1,0,0|0,1,0]=2 1550 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,0,0,1,0,0|2,1,0]=4 1551 B13R2.2121 CSc1ccc2c(n1)CC(=O)N2 62a_200000210301_100000087150 [0,0,0,1,0,0|1,1,0]=3 1552 B13R2.2121 CSc1ccc2cc([nH]c2c1)C 62a_200000210301_100010196937 [0,0,0,1,0,0|2,1,0]=4 1553 B13R2.2121 CSc1ccc2nc(oc2c1)C 62a_200000210301_100010171164 [0,0,0,1,0,0|0,1,2]=4 1554 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_100009813144_200000210301 [0,0,0,1,0,0|0,2,1]=4 1555 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_200000210301_100009813144 [0,0,0,1,0,0|0,2,1]=4 1556 B13R2.2121 CSc1ccc2oc(nc2c1)C 62a_200000210301_100009816932 [0,0,0,1,0,0|2,1,0]=4 1557 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_100000695401_200000210301 [0,0,0,1,0,0|2,1,0]=4 1558 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_200000210301_100000695401 [0,0,0,1,0,0|2,1,0]=4 1559 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_100009813953_200000210301 [0,0,0,1,0,0|2,1,0]=4 1560 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_200000210301_100009813953 [0,0,0,1,0,0|2,1,0]=4 1561 B13R2.2121 CSc1cnc2[nH]c(=O)oc2c1 62a_200000210301_100000721845 [0,0,0,1,0,0|2,1,0]=4 1562 B13R2.2121 CSc1cnc2[nH]c(cc2c1)C 62a_200000210301_100010202332 [0,0,0,1,0,0|2,1,0]=4 1563 B13R2.2121 CSc1cnc2c(c1)CC(=O)N2 62a_200000210301_100010177629 [0,0,0,1,0,0|1,1,0]=3 1564 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,0,0,1,0,0|1,0,0]=2 1565 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,0,0,1,0,0|1,0,0]=2 1566 B13R2.2121 Cc1cc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011214893 [0,0,0,1,0,0|1,1,0]=3 1567 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_100000695401_200025704644 [0,0,0,1,0,0|2,1,0]=4 1568 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_200025704644_100000695401 [0,0,0,1,0,0|2,1,0]=4 1569 B13R2.2121 Cc1cc2cc(cnc2[nH]1)S[13CH3] 62a_200025704644_100010202332 [0,0,0,1,0,0|2,1,0]=4 1570 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,0,0,1,0,0|2,0,0]=3 1571 B13R2.2121 Cc1cc2ccc(cc2[nH]1)S[13CH3] 62a_200025704644_100010196937 [0,0,0,1,0,0|2,1,0]=4 1572 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,0,0,1,0,0|1,0,1]=3 1573 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,0,0,1,0,0|1,0,1]=3 1574 B13R2.2121 Cc1cn2ccc(cc2n1)O[13CH3] 34a_106256048495_200025704644 [0,0,0,1,0,0|3,0,0]=4 1575 B13R2.2121 Cc1nc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011264012 [0,0,0,1,0,0|1,1,0]=3 1576 B13R2.2121 Cc1nc2cc(ccc2o1)N[13CH3] 34a_100000195416_200025704644 [0,0,0,1,0,0|3,0,0]=4 1577 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,0,0,1,0,0|2,0,0]=3 1578 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,0,0,1,0,0|2,0,0]=3 1579 B13R2.2121 Cc1nc2cc(ccc2o1)S[13CH3] 62a_200025704644_100009816932 [0,0,0,1,0,0|2,1,0]=4 1580 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,0,0,1,0,0|2,0,0]=3 1581 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,0,0,1,0,0|2,0,0]=3 1582 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_100009813953_200025704644 [0,0,0,1,0,0|2,1,0]=4 1583 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_200025704644_100009813953 [0,0,0,1,0,0|2,1,0]=4 1584 B13R2.2121 Cc1nc2ccc(cc2o1)N[13CH3] 34a_100000736495_200025704644 [0,0,0,1,0,0|1,0,2]=4 1585 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,0,0,1,0,0|0,0,2]=3 1586 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,0,0,1,0,0|0,0,2]=3 1587 B13R2.2121 Cc1nc2ccc(cc2o1)S[13CH3] 62a_200025704644_100010171164 [0,0,0,1,0,0|0,1,2]=4 1588 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,0,0,1,0,0|0,1,1]=3 1589 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,0,0,1,0,0|0,1,1]=3 1590 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_100009813144_200025704644 [0,0,0,1,0,0|0,2,1]=4 1591 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_200025704644_100009813144 [0,0,0,1,0,0|0,2,1]=4 1592 B13R2.2121 Cn1cc2cc(ccc2n1)O[13CH3] 34a_100000106843_200025704644 [0,0,0,1,0,0|2,0,1]=4 1593 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,0,0,1,0,0|1,0,0]=2 1594 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,0,0,1,0,0|1,0,0]=2 1595 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,0,0,1,0,0|1,0,0]=2 1596 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,0,0,1,0,0|1,1,1]=4 1597 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,0,0,1,0,0|1,1,1]=4 1598 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,0,0,1,0,0|3,0,0]=4 1599 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,0,0,1,0,0|3,0,0]=4 1600 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,0,0,1,0,0|3,0,0]=4 1601 B13R2.2121 [13CH3]Sc1cc2c(cn1)NC(=O)C2 62a_200025704644_100000104063 [0,0,0,1,0,0|1,1,0]=3 1602 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,0,0,1,0,0|1,1,0]=3 1603 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,0,0,1,0,0|1,1,0]=3 1604 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,0,0,1,0,0|1,1,0]=3 1605 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,0,0,1,0,0|0,1,0]=2 1606 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,0,0,1,0,0|2,1,0]=4 1607 B13R2.2121 [13CH3]Sc1ccc2c(n1)CC(=O)N2 62a_200025704644_100000087150 [0,0,0,1,0,0|1,1,0]=3 1608 B13R2.2121 [13CH3]Sc1cnc2[nH]c(=O)oc2c1 62a_200025704644_100000721845 [0,0,0,1,0,0|2,1,0]=4 1609 B13R2.2121 [13CH3]Sc1cnc2c(c1)CC(=O)N2 62a_200025704644_100010177629 [0,0,0,1,0,0|1,1,0]=3 1610 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,0,0,0,1,0|1,0,1]=3 1611 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,0,0,0,1,0|1,0,1]=3 1612 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,0,0,0,1,0|3,0,0]=4 1613 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,0,0,0,1,0|3,0,0]=4 1614 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,0,0,0,1,0|2,0,0]=3 1615 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,0,0,0,1,0|3,0,0]=4 1616 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,0,0,0,1,0|3,0,0]=4 1617 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,0,0,0,1,0|3,0,0]=4 1618 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,0,0,0,1,0|2,0,0]=3 1619 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,0,0,0,1,0|3,0,0]=4 1620 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,0,0,0,1,0|1,0,0]=2 1621 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,0,0,0,1,0|1,0,0]=2 1622 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,0,0,0,1,0|1,0,0]=2 1623 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,0,0,0,1,0|1,0,0]=2 1624 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,0,0,0,1,0|1,0,0]=2 1625 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,0,0,0,1,0|1,1,0]=3 1626 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,0,0,0,1,0|1,1,0]=3 1627 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,0,0,0,1,0|1,1,0]=3 1628 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,0,0,0,1,0|1,1,0]=3 1629 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,0,0,0,1,0|1,1,0]=3 1630 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,0,0,0,1,0|3,0,0]=4 1631 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [0,0,0,0,1,0|3,0,0]=4 1632 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,0,0,0,1,0|2,0,0]=3 1633 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [0,0,0,0,1,0|2,1,0]=4 1634 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,0,0,0,1,0|3,0,0]=4 1635 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [0,0,0,0,1,0|3,0,0]=4 1636 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,0,0,0,1,0|2,0,0]=3 1637 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [0,0,0,0,1,0|2,1,0]=4 1638 B11R1.3 C=C(C)c1ccc(nn1)OC 271570a_100000694244_100009819040 [0,0,0,0,1,0|3,0,0]=4 1639 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [0,0,0,0,1,0|3,0,0]=4 1640 B11R1.3 C=C(C)c1cnc(nc1)OC 271570a_100000694244_100000686852 [0,0,0,0,1,0|3,0,0]=4 1641 B11R1.3 C=C(C)c1ncc(cn1)OC 271570a_100000694244_100000069167 [0,0,0,0,1,0|3,0,0]=4 1642 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,0,0,0,1,0|2,0,1]=4 1643 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,0,0,0,1,0|1,0,1]=3 1644 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,0,0,0,1,0|1,0,1]=3 1645 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,0,0,0,1,0|2,0,1]=4 1646 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,0,0,0,1,0|1,0,1]=3 1647 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,0,0,0,1,0|2,0,1]=4 1648 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,0,0,0,1,0|2,0,1]=4 1649 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,0,0,0,1,0|2,0,1]=4 1650 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,0,0,0,1,0|2,0,0]=3 1651 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,0,0,0,1,0|2,0,0]=3 1652 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,0,0,0,1,0|0,0,0]=1 1653 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,0,0,0,1,0|0,0,0]=1 1654 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,0,0,0,1,0|0,1,0]=2 1655 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,0,0,0,1,0|0,1,0]=2 1656 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,0,0,0,1,0|1,0,0]=2 1657 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,0,0,0,1,0|1,0,0]=2 1658 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,0,0,0,1,0|1,1,0]=3 1659 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,0,0,0,1,0|1,1,0]=3 1660 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,0,0,0,1,0|1,1,0]=3 1661 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,0,0,0,1,0|1,1,0]=3 1662 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,0,0,0,1,0|2,1,0]=4 1663 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,0,0,0,1,0|2,1,0]=4 1664 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [0,0,0,0,1,0|2,1,0]=4 1665 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [0,0,0,0,1,0|2,1,0]=4 1666 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,0,0,0,1,0|2,1,0]=4 1667 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,0,0,0,1,0|2,1,0]=4 1668 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [0,0,0,0,1,0|2,0,1]=4 1669 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [0,0,0,0,1,0|2,0,1]=4 1670 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [0,0,0,0,1,0|2,0,1]=4 1671 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,0,0,0,1,0|1,0,1]=3 1672 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,0,0,0,1,0|1,0,1]=3 1673 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [0,0,0,0,1,0|1,1,1]=4 1674 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [0,0,0,0,1,0|1,1,1]=4 1675 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,0,0,0,1,0|1,0,2]=4 1676 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,0,0,0,1,0|1,0,2]=4 1677 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,0,0,0,1,0|0,0,2]=3 1678 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,0,0,0,1,0|0,0,2]=3 1679 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,0,0,0,1,0|0,1,2]=4 1680 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,0,0,0,1,0|0,1,2]=4 1681 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,0,0,0,1,0|1,0,0]=2 1682 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,0,0,0,1,0|1,0,0]=2 1683 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [0,0,0,0,1,0|3,0,0]=4 1684 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,0,0,0,1,0|2,0,0]=3 1685 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [0,0,0,0,1,0|2,1,0]=4 1686 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [0,0,0,0,1,0|2,1,0]=4 1687 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,0,0,0,1,0|2,0,0]=3 1688 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,0,0,0,1,0|2,0,0]=3 1689 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [0,0,0,0,1,0|2,0,1]=4 1690 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [0,0,0,0,1,0|2,0,1]=4 1691 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [0,0,0,0,1,0|2,0,1]=4 1692 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,0,0,0,1,0|1,0,2]=4 1693 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,0,0,0,1,0|1,0,2]=4 1694 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [0,0,0,0,1,0|3,0,0]=4 1695 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,0,0,0,1,0|3,0,0]=4 1696 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,0,0,0,1,0|3,0,0]=4 1697 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,0,0,0,1,0|2,0,0]=3 1698 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,0,0,0,1,0|3,0,0]=4 1699 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,0,0,0,1,0|3,0,0]=4 1700 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [0,0,0,0,1,0|3,0,0]=4 1701 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,0,0,0,1,0|0,0,0]=1 1702 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,0,0,0,1,0|0,0,0]=1 1703 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,0,0,0,1,0|0,0,0]=1 1704 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,0,0,0,1,0|1,0,0]=2 1705 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,0,0,0,1,0|1,0,0]=2 1706 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,0,0,0,1,0|0,0,0]=1 1707 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,0,0,0,1,0|1,0,1]=3 1708 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,0,0,0,1,0|1,0,1]=3 1709 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,0,0,0,1,0|0,0,2]=3 1710 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,0,0,0,1,0|0,0,2]=3 1711 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,0,0,0,1,0|2,0,0]=3 1712 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,0,0,0,1,0|2,0,0]=3 1713 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,0,0,0,1,0|2,0,0]=3 1714 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,0,0,0,1,0|2,0,0]=3 1715 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,0,0,0,1,0|2,0,0]=3 1716 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,0,0,0,1,0|2,0,0]=3 1717 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,0,0,0,1,0|2,0,0]=3 1718 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,0,0,0,1,0|1,0,0]=2 1719 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,0,0,0,1,0|1,0,0]=2 1720 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,0,0,0,1,0|1,0,1]=3 1721 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,0,0,0,1,0|2,0,0]=3 1722 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,0,0,0,1,0|2,0,0]=3 1723 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,0,0,0,1,0|2,0,0]=3 1724 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,0,0,0,1,0|2,0,0]=3 1725 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,0,0,0,1,0|1,0,0]=2 1726 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,0,0,0,1,0|1,0,0]=2 1727 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,0,0,0,1,0|3,0,0]=4 1728 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,0,0,0,1,0|1,0,0]=2 1729 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,0,0,0,1,0|1,0,0]=2 1730 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,0,0,0,1,0|1,1,0]=3 1731 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,0,0,0,1,0|0,1,0]=2 1732 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,0,0,0,1,0|0,1,0]=2 1733 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,0,0,0,1,0|0,1,0]=2 1734 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,0,0,0,1,0|1,1,0]=3 1735 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,0,0,0,1,0|1,1,0]=3 1736 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,0,0,0,1,0|0,1,0]=2 1737 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [0,0,0,0,1,0|1,1,1]=4 1738 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [0,0,0,0,1,0|1,1,1]=4 1739 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,0,0,0,1,0|0,1,2]=4 1740 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,0,0,0,1,0|0,1,2]=4 1741 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [0,0,0,0,1,0|2,1,0]=4 1742 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [0,0,0,0,1,0|2,1,0]=4 1743 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,0,0,0,1,0|1,1,0]=3 1744 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [0,0,0,0,1,0|1,1,1]=4 1745 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [0,0,0,0,1,0|1,1,1]=4 1746 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [0,0,0,0,1,0|1,1,1]=4 1747 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [0,0,0,0,1,0|1,1,1]=4 1748 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,0,0,0,1,0|1,1,0]=3 1749 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,0,0,0,1,0|1,1,0]=3 1750 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,0,0,0,1,0|2,1,0]=4 1751 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,0,0,0,1,0|2,1,0]=4 1752 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,0,0,0,1,0|1,1,0]=3 1753 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,0,0,0,1,0|1,1,0]=3 1754 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,0,0,0,1,0|2,1,0]=4 1755 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,0,0,0,1,0|2,1,0]=4 1756 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,0,0,0,1,0|2,1,0]=4 1757 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,0,0,0,1,0|2,1,0]=4 1758 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,0,0,0,1,0|2,1,0]=4 1759 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,0,0,0,1,0|2,1,0]=4 1760 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [0,0,0,0,1,0|2,1,0]=4 1761 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [0,0,0,0,1,0|2,1,0]=4 1762 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [0,0,0,0,1,0|1,1,1]=4 1763 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [0,0,0,0,1,0|1,1,1]=4 1764 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,0,0,0,1,0|1,0,1]=3 1765 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [0,0,0,0,1,0|1,1,1]=4 1766 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [0,0,0,0,1,0|1,1,1]=4 1767 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,0,0,0,1,0|2,0,0]=3 1768 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,0,0,0,1,0|2,0,0]=3 1769 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,0,0,0,1,0|2,0,0]=3 1770 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,0,0,0,1,0|2,0,0]=3 1771 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,0,0,0,1,0|2,0,0]=3 1772 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,0,0,0,1,0|3,0,0]=4 1773 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,0,0,0,1,0|3,0,0]=4 1774 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,0,0,0,1,0|1,0,0]=2 1775 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,0,0,0,1,0|1,0,0]=2 1776 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,0,0,0,1,0|2,0,0]=3 1777 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,0,0,0,1,0|2,0,0]=3 1778 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,0,0,0,1,0|3,0,0]=4 1779 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,0,0,0,1,0|1,1,0]=3 1780 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,0,0,0,1,0|1,1,0]=3 1781 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,0,0,0,1,0|2,1,0]=4 1782 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,0,0,0,1,0|2,1,0]=4 1783 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,0,0,0,1,0|2,1,0]=4 1784 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,0,0,0,1,0|2,1,0]=4 1785 B11R1.43 C=Cc1ccc(s1)NC(=O)C 271570a_100011290941_100010002808 [0,0,0,0,1,0|2,0,1]=4 1786 B11R1.43 CC(=O)Nc1ccc(s1)S[13CH3] 62a_200025704644_100010002808 [0,0,0,0,1,0|1,1,0]=3 1787 B11R1.43 CC(=O)Nc1ncc(s1)S[13CH3] 62a_200025704644_100000050200 [0,0,0,0,1,0|2,1,0]=4 1788 B11R1.43 CSc1ccc(s1)NC(=O)C 62a_200000210301_100010002808 [0,0,0,0,1,0|1,1,0]=3 1789 B11R1.43 CSc1cnc(s1)NC(=O)C 62a_200000210301_100000050200 [0,0,0,0,1,0|2,1,0]=4 1790 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 11a_100015199678_100015343762 [0,0,0,0,0,1|1,0,1]=3 1791 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 1626a_100015199678_100015343762 [0,0,0,0,0,1|1,0,1]=3 1792 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 240690a_100015199678_100015343762 [0,0,0,0,0,1|1,0,1]=3 1793 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 527a_100015199678_100103153847 [0,0,0,0,0,1|1,0,1]=3 1794 B13R1.3 C#Cc1ccc(cc1)NCC(=C)C 34a_100011215031_100000748629 [0,0,0,0,0,1|2,0,1]=4 1795 B13R1.3 C#Cc1ccc(cc1)NCC(=O)N 34a_100011215031_100000187820 [0,0,0,0,0,1|2,0,1]=4 1796 B13R1.3 C#Cc1ccc(cc1)NCC(=O)[O-] 34a_100011215031_100020667443 [0,0,0,0,0,1|2,0,1]=4 1797 B13R1.3 C=C(C)CNc1ccc(cc1)C#N 34a_100000185469_100000748629 [0,0,0,0,0,1|3,0,0]=4 1798 B13R1.3 C=C(C)CNc1ccc(cc1)CC 2230a_100000211069_100000748629 [0,0,0,0,0,1|2,0,0]=3 1799 B13R1.3 C=C(C)CNc1ccc(cc1)CC 34a_100000211069_100000748629 [0,0,0,0,0,1|2,0,0]=3 1800 B13R1.3 C=C(C)CNc1ccc(cc1)CO 2230a_100011215238_100000748629 [0,0,0,0,0,1|3,0,0]=4 1801 B13R1.3 C=C(C)CNc1ccc(cc1)CO 34a_100011215238_100000748629 [0,0,0,0,0,1|3,0,0]=4 1802 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,0,0,0,0,1|1,0,0]=2 1803 B13R1.3 C=C(C)CNc1ccc(cc1)SC 34a_100000212337_100000748629 [0,0,0,0,0,1|1,1,0]=3 1804 B13R1.3 C=C(C)CNc1ccc(cn1)SC 27a_100000765925_100009820866 [0,0,0,0,0,1|2,1,0]=4 1805 B13R1.3 C=C(C)CNc1ccc(nn1)OC 27a_100000765925_100010231723 [0,0,0,0,0,1|3,0,0]=4 1806 B13R1.3 C=C(C)CNc1ncc(cn1)OC 27a_100000765925_100000069167 [0,0,0,0,0,1|3,0,0]=4 1807 B13R1.3 C=C(C)COc1ccc(cc1)CC 34a_100000211359_100000748629 [0,0,0,0,0,1|3,0,0]=4 1808 B13R1.3 C=C(C)COc1ccc(cc1)CC 7a_100000211359_100000748629 [0,0,0,0,0,1|3,0,0]=4 1809 B13R1.3 C=C(C)COc1ccc(cc1)NC 2230a_200015186533_200000210301 [0,0,0,0,0,1|3,0,0]=4 1810 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_100000182112_100000748629 [0,0,0,0,0,1|3,0,0]=4 1811 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_200015186533_200000210301 [0,0,0,0,0,1|3,0,0]=4 1812 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 2230a_200015186533_200025704644 [0,0,0,0,0,1|3,0,0]=4 1813 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 34a_200015186533_200025704644 [0,0,0,0,0,1|3,0,0]=4 1814 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,0,0,0,0,1|2,0,0]=3 1815 B13R1.3 C=C(C)COc1ccc(cc1)SC 34a_100000211864_100000748629 [0,0,0,0,0,1|2,1,0]=4 1816 B13R1.3 C=C(C)COc1ccc(cn1)OC 34a_100012002028_100000748629 [0,0,0,0,0,1|3,0,0]=4 1817 B13R1.3 C=C(C)COc1ccc(nc1)OC 34a_100011934560_100000748629 [0,0,0,0,0,1|3,0,0]=4 1818 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100000748629_100011215824 [0,0,0,0,0,1|3,0,0]=4 1819 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100011215824_100000211660 [0,0,0,0,0,1|3,0,0]=4 1820 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000743151_100000211660 [0,0,0,0,0,1|3,0,0]=4 1821 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000748629_100000743151 [0,0,0,0,0,1|3,0,0]=4 1822 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,0,0,0,0,1|2,0,0]=3 1823 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100000748629_100011263217 [0,0,0,0,0,1|2,1,0]=4 1824 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100011263217_100000211660 [0,0,0,0,0,1|2,1,0]=4 1825 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000748629_100000744180 [0,0,0,0,0,1|3,0,0]=4 1826 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000755202_100000211660 [0,0,0,0,0,1|3,0,0]=4 1827 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000047065_100000211660 [0,0,0,0,0,1|3,0,0]=4 1828 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000748629_100000047065 [0,0,0,0,0,1|3,0,0]=4 1829 B13R1.3 C=C(F)CNc1ccc(cc1)CC 2230a_100000211069_100009893438 [0,0,0,0,0,1|2,0,1]=4 1830 B13R1.3 C=C(F)CNc1ccc(cc1)CC 34a_100000211069_100009893438 [0,0,0,0,0,1|2,0,1]=4 1831 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,0,0,0,0,1|1,0,1]=3 1832 B13R1.3 C=C(F)CNc1ccc(cc1)SC 34a_100000212337_100009893438 [0,0,0,0,0,1|1,1,1]=4 1833 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,0,0,0,0,1|2,0,1]=4 1834 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,0,0,0,0,1|2,0,1]=4 1835 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [0,0,0,0,0,1|2,0,1]=4 1836 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000142037 [0,0,0,0,0,1|2,0,1]=4 1837 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 271570a_100011290941_100000723691 [0,0,0,0,0,1|2,0,1]=4 1838 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 11a_200011934891_100015343762 [0,0,0,0,0,1|1,0,1]=3 1839 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 1626a_200011934891_100015343762 [0,0,0,0,0,1|1,0,1]=3 1840 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 240690a_200011934891_100015343762 [0,0,0,0,0,1|1,0,1]=3 1841 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 271570a_100011290941_200000685173 [0,0,0,0,0,1|1,0,1]=3 1842 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 527a_200011934891_100103153847 [0,0,0,0,0,1|1,0,1]=3 1843 B13R1.3 C=Cc1ccc(cc1)NCC(=C)C 34a_100011218248_100000748629 [0,0,0,0,0,1|2,0,1]=4 1844 B13R1.3 C=Cc1ccc(cc1)NCC(=O)N 34a_100011218248_100000187820 [0,0,0,0,0,1|2,0,1]=4 1845 B13R1.3 C=Cc1ccc(cc1)NCC(=O)[O-] 34a_100011218248_100020667443 [0,0,0,0,0,1|2,0,1]=4 1846 B13R1.3 C=Cc1ccc(cc1)NNC(=O)C 271570a_100011290941_200009815283 [0,0,0,0,0,1|1,0,1]=3 1847 B13R1.3 C=Cc1ccc(nc1)NNC(=O)C 271570a_100011290941_200010175596 [0,0,0,0,0,1|2,0,1]=4 1848 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,0,0,0,0,1|1,0,0]=2 1849 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [0,0,0,0,0,1|1,1,0]=3 1850 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [0,0,0,0,0,1|1,1,0]=3 1851 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [0,0,0,0,0,1|3,0,0]=4 1852 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200000210301 [0,0,0,0,0,1|3,0,0]=4 1853 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000070787_100012161189 [0,0,0,0,0,1|3,0,0]=4 1854 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,0,0,0,0,1|1,0,0]=2 1855 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,0,0,0,0,1|1,0,0]=2 1856 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,0,0,0,0,1|1,1,0]=3 1857 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,0,0,0,0,1|1,1,0]=3 1858 B13R1.3 CC(=O)COc1ccc(cc1)C#N 1458a_100000182482_200000210301 [0,0,0,0,0,1|3,0,0]=4 1859 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,0,0,0,0,1|3,0,0]=4 1860 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 11a_100015207190_100015343762 [0,0,0,0,0,1|2,0,0]=3 1861 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 1626a_100015207190_100015343762 [0,0,0,0,0,1|2,0,0]=3 1862 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 240690a_100015207190_100015343762 [0,0,0,0,0,1|2,0,0]=3 1863 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 527a_100015207190_100103153847 [0,0,0,0,0,1|2,0,0]=3 1864 B13R1.3 CC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100015343762 [0,0,0,0,0,1|2,0,0]=3 1865 B13R1.3 CC(=O)NCc1ccc(cc1)CO 527a_100015189231_100103153847 [0,0,0,0,0,1|2,0,0]=3 1866 B13R1.3 CC(=O)NCc1ccc(cc1)N[13CH3] 34a_100000755463_200025704644 [0,0,0,0,0,1|1,0,0]=2 1867 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200000685173_200025704644 [0,0,0,0,0,1|0,1,0]=2 1868 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200025704644_200000685173 [0,0,0,0,0,1|0,1,0]=2 1869 B13R1.3 CC(=O)NN=C1C=CC(=NCl)C=C1 4a_100000189765_100000088476 [0,0,0,0,0,1|2,0,0]=3 1870 B13R1.3 CC(=O)NN=C1C=CC(=NO)C=C1 4a_100000189765_200000095120 [0,0,0,0,0,1|2,0,0]=3 1871 B13R1.3 CC(=O)NNc1ccc(cc1)C#N 22a_100000739705_100000070787 [0,0,0,0,0,1|2,0,0]=3 1872 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200009815283_200025704644 [0,0,0,0,0,1|0,1,0]=2 1873 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200025704644_200009815283 [0,0,0,0,0,1|0,1,0]=2 1874 B13R1.3 CC(=O)NNc1ccc(cn1)C#N 22a_100011198082_100000070787 [0,0,0,0,0,1|3,0,0]=4 1875 B13R1.3 CC(=O)NNc1ccc(cn1)S[13CH3] 62a_200010175596_200025704644 [0,0,0,0,0,1|1,1,0]=3 1876 B13R1.3 CC(=O)NNc1ccc(cn1)S[13CH3] 62a_200025704644_200010175596 [0,0,0,0,0,1|1,1,0]=3 1877 B13R1.3 CC(=O)NNc1ccc(nc1)C#N 22a_200012020705_100000070787 [0,0,0,0,0,1|3,0,0]=4 1878 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200011231703_200025704644 [0,0,0,0,0,1|1,1,1]=4 1879 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200025704644_200011231703 [0,0,0,0,0,1|1,1,1]=4 1880 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_100000195760_200025704644 [0,0,0,0,0,1|1,1,1]=4 1881 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_200025704644_100000195760 [0,0,0,0,0,1|1,1,1]=4 1882 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,0,0,0,0,1|1,0,2]=4 1883 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,0,0,0,0,1|1,0,2]=4 1884 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,0,0,0,0,1|2,0,0]=3 1885 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,0,0,0,0,1|2,0,0]=3 1886 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,0,0,0,0,1|2,0,0]=3 1887 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,0,0,0,0,1|2,0,0]=3 1888 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,0,0,0,0,1|1,0,0]=2 1889 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,0,0,0,0,1|1,0,0]=2 1890 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,0,0,0,0,1|1,0,0]=2 1891 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,0,0,0,0,1|1,0,0]=2 1892 B13R1.3 CCc1ccc(cc1)CNC(C)C 207a_100138425928_100000211036 [0,0,0,0,0,1|2,0,1]=4 1893 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100000721222_100000210206 [0,0,0,0,0,1|2,0,1]=4 1894 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100138425928_100000747183 [0,0,0,0,0,1|2,0,1]=4 1895 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100000721222_100000210206 [0,0,0,0,0,1|2,0,1]=4 1896 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100138425928_100000747183 [0,0,0,0,0,1|2,0,1]=4 1897 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,0,0,0,0,1|2,0,0]=3 1898 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,0,0,0,0,1|2,0,0]=3 1899 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,0,0,0,0,1|2,0,0]=3 1900 B13R1.3 CCc1ccc(cc1)NCC(C)C 2230a_100000211069_100000210760 [0,0,0,0,0,1|2,0,1]=4 1901 B13R1.3 CCc1ccc(cc1)NCC(C)C 34a_100000211069_100000210624 [0,0,0,0,0,1|2,0,1]=4 1902 B13R1.3 CCc1ccc(cc1)NCC(C)O 2230a_100000211069_100011218427 [0,0,0,0,0,1|1,0,2]=4 1903 B13R1.3 CCc1ccc(cc1)NCC(C)O 34a_100000211069_100011218427 [0,0,0,0,0,1|1,0,2]=4 1904 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 2230a_100000211069_100009817552 [0,0,0,0,0,1|1,0,2]=4 1905 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 34a_100000211069_100009817552 [0,0,0,0,0,1|1,0,2]=4 1906 B13R1.3 CCc1ccc(cc1)NC[N+](=O)[O-] 34a_100000211069_100000761209 [0,0,0,0,0,1|3,0,0]=4 1907 B13R1.3 CCc1ccc(cc1)NNC(=O)C 22a_100015204395_100000070787 [0,0,0,0,0,1|1,0,0]=2 1908 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,0,0,0,0,1|2,0,0]=3 1909 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,0,0,0,0,1|3,0,0]=4 1910 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,0,0,0,0,1|3,0,0]=4 1911 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,0,0,0,0,1|2,0,0]=3 1912 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,0,0,0,0,1|3,0,0]=4 1913 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,0,0,0,0,1|3,0,0]=4 1914 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,0,0,0,0,1|3,0,0]=4 1915 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,0,0,0,0,1|3,0,0]=4 1916 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,0,0,0,0,1|3,0,0]=4 1917 B13R1.3 CCc1ccc(nc1)CNC(=O)C 11a_100000069493_100015343762 [0,0,0,0,0,1|2,0,0]=3 1918 B13R1.3 CCc1ccc(nc1)CNC(=O)C 1626a_100000069493_100015343762 [0,0,0,0,0,1|2,0,0]=3 1919 B13R1.3 CCc1ccc(nc1)CNC(=O)C 240690a_100000069493_100015343762 [0,0,0,0,0,1|2,0,0]=3 1920 B13R1.3 CCc1ccc(nc1)CNC(=O)C 527a_100000069493_100103153847 [0,0,0,0,0,1|2,0,0]=3 1921 B13R1.3 CCc1cnc(nc1)NNC(=O)C 22a_200000121340_100000070787 [0,0,0,0,0,1|3,0,0]=4 1922 B13R1.3 CNc1ccc(cc1)CNC(=O)C 34a_100000755463_200000210301 [0,0,0,0,0,1|1,0,0]=2 1923 B13R1.3 CNc1ccc(cc1)CNC(=O)N 34a_100000747042_200000210301 [0,0,0,0,0,1|2,0,0]=3 1924 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,0,0,0,0,1|3,0,0]=4 1925 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,0,0,0,0,1|3,0,0]=4 1926 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,0,0,0,0,1|3,0,0]=4 1927 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,0,0,0,0,1|3,0,0]=4 1928 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000743151_100000747473 [0,0,0,0,0,1|3,0,0]=4 1929 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000747473_100000743151 [0,0,0,0,0,1|3,0,0]=4 1930 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100000743151_100020667443 [0,0,0,0,0,1|3,0,0]=4 1931 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000743151 [0,0,0,0,0,1|3,0,0]=4 1932 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,0,0,0,0,1|1,0,0]=2 1933 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,0,0,0,0,1|3,0,0]=4 1934 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,0,0,0,0,1|1,0,0]=2 1935 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,0,0,0,0,1|1,0,0]=2 1936 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,0,0,0,0,1|1,0,0]=2 1937 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,0,0,0,0,1|1,0,0]=2 1938 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [0,0,0,0,0,1|2,0,1]=4 1939 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,0,0,0,0,1|1,0,2]=4 1940 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,0,0,0,0,1|1,0,0]=2 1941 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,0,0,0,0,1|1,0,0]=2 1942 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,0,0,0,0,1|1,0,0]=2 1943 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,0,0,0,0,1|1,0,0]=2 1944 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,0,0,0,0,1|1,0,0]=2 1945 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,0,0,0,0,1|1,0,2]=4 1946 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,0,0,0,0,1|1,0,2]=4 1947 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100000225672_200000210301 [0,0,0,0,0,1|3,0,0]=4 1948 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713689 [0,0,0,0,0,1|3,0,0]=4 1949 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100000225672_200000210301 [0,0,0,0,0,1|3,0,0]=4 1950 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100102631434_100000184700 [0,0,0,0,0,1|3,0,0]=4 1951 B13R1.3 COc1ccc(cc1)CCN(C)C 270004a_100102631434_100011242372 [0,0,0,0,0,1|3,0,0]=4 1952 B13R1.3 COc1ccc(cc1)CCN(C)C 34a_100000225672_200000210301 [0,0,0,0,0,1|3,0,0]=4 1953 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 2230a_100000225672_200025704644 [0,0,0,0,0,1|3,0,0]=4 1954 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 269982a_100000225672_200025704644 [0,0,0,0,0,1|3,0,0]=4 1955 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 34a_100000225672_200025704644 [0,0,0,0,0,1|3,0,0]=4 1956 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,0,0,0,0,1|0,0,0]=1 1957 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,0,0,0,0,1|0,0,0]=1 1958 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,0,0,0,0,1|0,0,0]=1 1959 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,0,0,0,0,1|0,0,0]=1 1960 B13R1.3 COc1ccc(cc1)CNC(C)C 207a_100138425928_100000169835 [0,0,0,0,0,1|1,0,1]=3 1961 B13R1.3 COc1ccc(cc1)CNC(C)C 2230a_100138425928_100000742318 [0,0,0,0,0,1|1,0,1]=3 1962 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100000185587_100000210206 [0,0,0,0,0,1|1,0,1]=3 1963 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100138425928_100000742318 [0,0,0,0,0,1|1,0,1]=3 1964 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000173359_100000210206 [0,0,0,0,0,1|2,0,1]=4 1965 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000212225_100000742318 [0,0,0,0,0,1|2,0,1]=4 1966 B13R1.3 COc1ccc(cc1)CSC(C)C 62a_100000210206_100000742318 [0,0,0,0,0,1|2,0,1]=4 1967 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,0,0,0,0,1|1,0,0]=2 1968 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,0,0,0,0,1|1,0,0]=2 1969 B13R1.3 COc1ccc(cc1)NCC(C)C 34a_100000184247_100000210624 [0,0,0,0,0,1|1,0,1]=3 1970 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,0,0,0,0,1|0,0,2]=3 1971 B13R1.3 COc1ccc(cc1)NCC(F)F 34a_100000184247_100011934356 [0,0,0,0,0,1|2,0,1]=4 1972 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,0,0,0,0,1|0,0,2]=3 1973 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,0,0,0,0,1|2,0,0]=3 1974 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,0,0,0,0,1|0,0,0]=1 1975 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,0,0,0,0,1|1,0,0]=2 1976 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,0,0,0,0,1|2,0,0]=3 1977 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,0,0,0,0,1|1,0,0]=2 1978 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,0,0,0,0,1|2,0,0]=3 1979 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [0,0,0,0,0,1|2,0,1]=4 1980 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,0,0,0,0,1|1,0,2]=4 1981 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,0,0,0,0,1|1,0,2]=4 1982 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,0,0,0,0,1|3,0,0]=4 1983 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,0,0,0,0,1|1,0,0]=2 1984 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,0,0,0,0,1|2,0,0]=3 1985 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,0,0,0,0,1|1,0,0]=2 1986 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,0,0,0,0,1|2,0,0]=3 1987 B13R1.3 COc1ccc(cc1)SCC(C)C 62a_100000210624_100000171711 [0,0,0,0,0,1|2,0,1]=4 1988 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,0,0,0,0,1|1,0,2]=4 1989 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,0,0,0,0,1|1,0,2]=4 1990 B13R1.3 COc1ccc(cn1)CNC(=O)C 11a_100000241975_100015343762 [0,0,0,0,0,1|1,0,0]=2 1991 B13R1.3 COc1ccc(cn1)CNC(=O)C 1626a_100000241975_100015343762 [0,0,0,0,0,1|1,0,0]=2 1992 B13R1.3 COc1ccc(cn1)CNC(=O)C 240690a_100000241975_100015343762 [0,0,0,0,0,1|1,0,0]=2 1993 B13R1.3 COc1ccc(cn1)CNC(=O)C 527a_100000241975_100103153847 [0,0,0,0,0,1|1,0,0]=2 1994 B13R1.3 COc1ccc(cn1)CNC(C)C 207a_100138425928_100000761633 [0,0,0,0,0,1|2,0,1]=4 1995 B13R1.3 COc1ccc(cn1)CNC(C)C 2230a_100000241975_100000210206 [0,0,0,0,0,1|2,0,1]=4 1996 B13R1.3 COc1ccc(cn1)CNC(C)C 2230a_100138425928_100020631284 [0,0,0,0,0,1|2,0,1]=4 1997 B13R1.3 COc1ccc(cn1)CNC(C)C 34a_100138425928_100020631284 [0,0,0,0,0,1|2,0,1]=4 1998 B13R1.3 COc1ccc(cn1)NNC(=O)C 22a_100102564821_100000070787 [0,0,0,0,0,1|1,0,0]=2 1999 B13R1.3 COc1ccc(cn1)OCC(=O)N 34a_100011934560_100000187820 [0,0,0,0,0,1|3,0,0]=4 2000 B13R1.3 COc1ccc(cn1)OCC(=O)[O-] 34a_100011934560_100020667443 [0,0,0,0,0,1|3,0,0]=4 2001 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000047065_100000747473 [0,0,0,0,0,1|3,0,0]=4 2002 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000747473_100000047065 [0,0,0,0,0,1|3,0,0]=4 2003 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100000047065_100020667443 [0,0,0,0,0,1|3,0,0]=4 2004 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000047065 [0,0,0,0,0,1|3,0,0]=4 2005 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,0,0,0,0,1|1,0,0]=2 2006 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,0,0,0,0,1|1,0,0]=2 2007 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,0,0,0,0,1|1,0,0]=2 2008 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,0,0,0,0,1|1,0,0]=2 2009 B13R1.3 COc1ccc(nc1)CNC(C)C 207a_100138425928_100000701244 [0,0,0,0,0,1|2,0,1]=4 2010 B13R1.3 COc1ccc(nc1)CNC(C)C 2230a_100138425928_200000757186 [0,0,0,0,0,1|2,0,1]=4 2011 B13R1.3 COc1ccc(nc1)CNC(C)C 34a_100000703904_100000210206 [0,0,0,0,0,1|2,0,1]=4 2012 B13R1.3 COc1ccc(nc1)CNC(C)C 34a_100138425928_200000757186 [0,0,0,0,0,1|2,0,1]=4 2013 B13R1.3 COc1ccc(nc1)OCC(=O)N 34a_100012002028_100000187820 [0,0,0,0,0,1|3,0,0]=4 2014 B13R1.3 COc1ccc(nc1)OCC(=O)[O-] 34a_100012002028_100020667443 [0,0,0,0,0,1|3,0,0]=4 2015 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000747473_100000744180 [0,0,0,0,0,1|3,0,0]=4 2016 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000755202_100000747473 [0,0,0,0,0,1|3,0,0]=4 2017 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100000755202_100020667443 [0,0,0,0,0,1|3,0,0]=4 2018 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000744180 [0,0,0,0,0,1|3,0,0]=4 2019 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [0,0,0,0,0,1|1,1,0]=3 2020 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [0,0,0,0,0,1|1,1,0]=3 2021 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [0,0,0,0,0,1|1,1,0]=3 2022 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [0,0,0,0,0,1|1,1,0]=3 2023 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,0,0,0,0,1|1,1,0]=3 2024 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,0,0,0,0,1|1,1,0]=3 2025 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,0,0,0,0,1|1,1,0]=3 2026 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,0,0,0,0,1|2,1,0]=4 2027 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,0,0,0,0,1|2,1,0]=4 2028 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,0,0,0,0,1|1,1,0]=3 2029 B13R1.3 CSc1ccc(cc1)CNC(=O)C 11a_100000174980_100015343762 [0,0,0,0,0,1|0,1,0]=2 2030 B13R1.3 CSc1ccc(cc1)CNC(=O)C 240690a_100000174980_100015343762 [0,0,0,0,0,1|0,1,0]=2 2031 B13R1.3 CSc1ccc(cc1)CNC(=O)C 527a_100000174980_100103153847 [0,0,0,0,0,1|0,1,0]=2 2032 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000210301_200000685173 [0,0,0,0,0,1|0,1,0]=2 2033 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000685173_200000210301 [0,0,0,0,0,1|0,1,0]=2 2034 B13R1.3 CSc1ccc(cc1)CNC(C)C 207a_100138425928_100000211154 [0,0,0,0,0,1|1,1,1]=4 2035 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100000174980_100000210206 [0,0,0,0,0,1|1,1,1]=4 2036 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100138425928_100000181263 [0,0,0,0,0,1|1,1,1]=4 2037 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100000174980_100000210206 [0,0,0,0,0,1|1,1,1]=4 2038 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100138425928_100000181263 [0,0,0,0,0,1|1,1,1]=4 2039 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_100000195760_200000210301 [0,0,0,0,0,1|1,1,1]=4 2040 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_200000210301_100000195760 [0,0,0,0,0,1|1,1,1]=4 2041 B13R1.3 CSc1ccc(cc1)NCC(=O)N 34a_100000212337_100000187820 [0,0,0,0,0,1|1,1,0]=3 2042 B13R1.3 CSc1ccc(cc1)NCC(=O)[O-] 34a_100000212337_100020667443 [0,0,0,0,0,1|1,1,0]=3 2043 B13R1.3 CSc1ccc(cc1)NCC(C)C 34a_100000212337_100000210624 [0,0,0,0,0,1|1,1,1]=4 2044 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200000210301_200011231703 [0,0,0,0,0,1|1,1,1]=4 2045 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200011231703_200000210301 [0,0,0,0,0,1|1,1,1]=4 2046 B13R1.3 CSc1ccc(cc1)NCC(C)O 34a_100000212337_100011218427 [0,0,0,0,0,1|0,1,2]=4 2047 B13R1.3 CSc1ccc(cc1)NC[C@@H](C)O 34a_100000212337_100009817552 [0,0,0,0,0,1|0,1,2]=4 2048 B13R1.3 CSc1ccc(cc1)NC[N+](=O)[O-] 34a_100000212337_100000761209 [0,0,0,0,0,1|2,1,0]=4 2049 B13R1.3 CSc1ccc(cc1)NNC(=O)C 22a_100000006515_100000070787 [0,0,0,0,0,1|0,1,0]=2 2050 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200000210301_200009815283 [0,0,0,0,0,1|0,1,0]=2 2051 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200009815283_200000210301 [0,0,0,0,0,1|0,1,0]=2 2052 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,0,0,0,0,1|2,1,0]=4 2053 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,0,0,0,0,1|2,1,0]=4 2054 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000149456_200000210301 [0,0,0,0,0,1|2,1,0]=4 2055 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000747473_100011263217 [0,0,0,0,0,1|2,1,0]=4 2056 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100011263217_100000747473 [0,0,0,0,0,1|2,1,0]=4 2057 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_200000210301_100000149456 [0,0,0,0,0,1|2,1,0]=4 2058 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100011263217_100020667443 [0,0,0,0,0,1|2,1,0]=4 2059 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011263217 [0,0,0,0,0,1|2,1,0]=4 2060 B13R1.3 CSc1ccc(nc1)NNC(=O)C 62a_200000210301_200010175596 [0,0,0,0,0,1|1,1,0]=3 2061 B13R1.3 CSc1ccc(nc1)NNC(=O)C 62a_200010175596_200000210301 [0,0,0,0,0,1|1,1,0]=3 2062 B13R1.3 N#Cc1ccc(cc1)NCC(=O)N 34a_100000185469_100000187820 [0,0,0,0,0,1|3,0,0]=4 2063 B13R1.3 N#Cc1ccc(cc1)NCC(=O)[O-] 34a_100000185469_100020667443 [0,0,0,0,0,1|3,0,0]=4 2064 B13R1.3 NC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747473 [0,0,0,0,0,1|3,0,0]=4 2065 B13R1.3 NC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000187820 [0,0,0,0,0,1|3,0,0]=4 2066 B13R1.3 O=C([O-])CNc1ccc(cc1)CO 34a_100011215238_100020667443 [0,0,0,0,0,1|3,0,0]=4 2067 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [0,0,0,0,0,1|3,0,0]=4 2068 B13R1.3 [13CH3]C(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200025704644 [0,0,0,0,0,1|3,0,0]=4 2069 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)C#N 1458a_100000182482_200025704644 [0,0,0,0,0,1|3,0,0]=4 2070 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,0,0,0,0,1|3,0,0]=4 2071 B13R1.3 [13CH3]Nc1ccc(cc1)CNC(=O)N 34a_100000747042_200025704644 [0,0,0,0,0,1|2,0,0]=3 2072 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,0,0,0,0,1|3,0,0]=4 2073 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,0,0,0,0,1|3,0,0]=4 2074 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,0,0,0,0,1|3,0,0]=4 2075 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,0,0,0,0,1|2,1,0]=4 2076 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,0,0,0,0,1|2,1,0]=4 2077 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_100000149456_200025704644 [0,0,0,0,0,1|2,1,0]=4 2078 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_200025704644_100000149456 [0,0,0,0,0,1|2,1,0]=4 2079 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|1,0,0]=3 2080 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [2,0,0,0,0,0|2,0,0]=4 2081 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [2,0,0,0,0,0|1,0,0]=3 2082 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [2,0,0,0,0,0|2,0,0]=4 2083 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [2,0,0,0,0,0|2,0,0]=4 2084 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [2,0,0,0,0,0|2,0,0]=4 2085 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|1,0,0]=3 2086 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [2,0,0,0,0,0|2,0,0]=4 2087 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [2,0,0,0,0,0|2,0,0]=4 2088 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [2,0,0,0,0,0|2,0,0]=4 2089 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [2,0,0,0,0,0|1,0,1]=4 2090 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [2,0,0,0,0,0|1,0,1]=4 2091 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [2,0,0,0,0,0|1,0,1]=4 2092 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [2,0,0,0,0,0|0,0,1]=3 2093 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [2,0,0,0,0,0|1,0,1]=4 2094 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [2,0,0,0,0,0|1,0,1]=4 2095 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [2,0,0,0,0,0|1,0,1]=4 2096 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [2,0,0,0,0,0|1,0,1]=4 2097 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [2,0,0,0,0,0|0,0,1]=3 2098 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [2,0,0,0,0,0|0,0,1]=3 2099 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [2,0,0,0,0,0|1,0,1]=4 2100 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2101 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [2,0,0,0,0,0|1,0,1]=4 2102 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [2,0,0,0,0,0|1,0,1]=4 2103 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [2,0,0,0,0,0|1,0,1]=4 2104 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [2,0,0,0,0,0|1,0,1]=4 2105 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [2,0,0,0,0,0|1,0,1]=4 2106 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [2,0,0,0,0,0|1,0,1]=4 2107 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [2,0,0,0,0,0|2,0,0]=4 2108 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [2,0,0,0,0,0|2,0,0]=4 2109 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [2,0,0,0,0,0|2,0,0]=4 2110 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [2,0,0,0,0,0|2,0,0]=4 2111 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [2,0,0,0,0,0|2,0,0]=4 2112 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [2,0,0,0,0,0|2,0,0]=4 2113 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [2,0,0,0,0,0|2,0,0]=4 2114 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [2,0,0,0,0,0|2,0,0]=4 2115 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [2,0,0,0,0,0|2,0,0]=4 2116 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [2,0,0,0,0,0|2,0,0]=4 2117 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [2,0,0,0,0,0|2,0,0]=4 2118 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [2,0,0,0,0,0|2,0,0]=4 2119 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [2,0,0,0,0,0|2,0,0]=4 2120 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [2,0,0,0,0,0|2,0,0]=4 2121 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [2,0,0,0,0,0|2,0,0]=4 2122 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [2,0,0,0,0,0|2,0,0]=4 2123 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [2,0,0,0,0,0|2,0,0]=4 2124 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [2,0,0,0,0,0|2,0,0]=4 2125 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [2,0,0,0,0,0|2,0,0]=4 2126 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [2,0,0,0,0,0|2,0,0]=4 2127 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [2,0,0,0,0,0|2,0,0]=4 2128 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [2,0,0,0,0,0|2,0,0]=4 2129 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [2,0,0,0,0,0|1,0,1]=4 2130 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [2,0,0,0,0,0|1,0,1]=4 2131 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|1,0,0]=3 2132 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|2,0,0]=4 2133 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [2,0,0,0,0,0|1,0,1]=4 2134 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [2,0,0,0,0,0|2,0,0]=4 2135 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [2,0,0,0,0,0|2,0,0]=4 2136 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2137 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,0]=3 2138 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [2,0,0,0,0,0|2,0,0]=4 2139 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [2,0,0,0,0,0|2,0,0]=4 2140 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [2,0,0,0,0,0|2,0,0]=4 2141 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [2,0,0,0,0,0|2,0,0]=4 2142 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [2,0,0,0,0,0|2,0,0]=4 2143 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [2,0,0,0,0,0|0,0,0]=2 2144 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [2,0,0,0,0,0|0,0,0]=2 2145 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [2,0,0,0,0,0|0,0,0]=2 2146 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [2,0,0,0,0,0|0,0,0]=2 2147 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [2,0,0,0,0,0|1,0,1]=4 2148 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [2,0,0,0,0,0|2,0,0]=4 2149 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [2,0,0,0,0,0|2,0,0]=4 2150 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [2,0,0,0,0,0|2,0,0]=4 2151 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [2,0,0,0,0,0|1,0,1]=4 2152 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [2,0,0,0,0,0|1,0,1]=4 2153 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [2,0,0,0,0,0|1,0,1]=4 2154 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [2,0,0,0,0,0|1,0,1]=4 2155 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [2,0,0,0,0,0|1,0,1]=4 2156 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [2,0,0,0,0,0|1,0,1]=4 2157 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [2,0,0,0,0,0|1,0,1]=4 2158 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [2,0,0,0,0,0|0,0,1]=3 2159 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [2,0,0,0,0,0|0,0,1]=3 2160 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [2,0,0,0,0,0|0,0,1]=3 2161 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [2,0,0,0,0,0|0,0,1]=3 2162 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [2,0,0,0,0,0|0,0,1]=3 2163 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [2,0,0,0,0,0|0,1,1]=4 2164 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [2,0,0,0,0,0|0,1,1]=4 2165 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [2,0,0,0,0,0|0,1,1]=4 2166 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [2,0,0,0,0,0|0,1,1]=4 2167 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [2,0,0,0,0,0|0,1,1]=4 2168 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [2,0,0,0,0,0|1,0,1]=4 2169 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [2,0,0,0,0,0|1,0,1]=4 2170 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [2,0,0,0,0,0|1,0,0]=3 2171 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [2,0,0,0,0,0|1,0,0]=3 2172 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [2,0,0,0,0,0|1,0,0]=3 2173 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [2,0,0,0,0,0|1,0,0]=3 2174 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [2,0,0,0,0,0|0,0,1]=3 2175 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [2,0,0,0,0,0|0,0,1]=3 2176 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [2,0,0,0,0,0|0,0,1]=3 2177 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [2,0,0,0,0,0|0,0,1]=3 2178 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [2,0,0,0,0,0|0,1,1]=4 2179 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [2,0,0,0,0,0|0,1,1]=4 2180 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [2,0,0,0,0,0|0,1,1]=4 2181 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [2,0,0,0,0,0|0,1,1]=4 2182 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [2,0,0,0,0,0|2,0,0]=4 2183 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [2,0,0,0,0,0|2,0,0]=4 2184 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [2,0,0,0,0,0|2,0,0]=4 2185 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [2,0,0,0,0,0|0,0,0]=2 2186 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [2,0,0,0,0,0|0,0,0]=2 2187 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [2,0,0,0,0,0|0,0,0]=2 2188 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [2,0,0,0,0,0|0,1,0]=3 2189 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [2,0,0,0,0,0|0,1,0]=3 2190 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [2,0,0,0,0,0|0,1,0]=3 2191 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [2,0,0,0,0,0|0,1,0]=3 2192 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [2,0,0,0,0,0|0,1,0]=3 2193 B10R1.3 CNc1ccc(cn1)SC 27a_100102657272_100009820866 [2,0,0,0,0,0|1,1,0]=4 2194 B10R1.3 CNc1ccc(cn1)SC 62a_100000741341_200000210301 [2,0,0,0,0,0|1,1,0]=4 2195 B10R1.3 CNc1ccc(cn1)SC 62a_200000210301_100000741341 [2,0,0,0,0,0|1,1,0]=4 2196 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_100000741341_200025704644 [2,0,0,0,0,0|1,1,0]=4 2197 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741341 [2,0,0,0,0,0|1,1,0]=4 2198 B10R1.3 CNc1ccc(nc1)SC 62a_100000764248_200000210301 [2,0,0,0,0,0|1,1,0]=4 2199 B10R1.3 CNc1ccc(nc1)SC 62a_200000210301_100000764248 [2,0,0,0,0,0|1,1,0]=4 2200 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_100000764248_200025704644 [2,0,0,0,0,0|1,1,0]=4 2201 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_200025704644_100000764248 [2,0,0,0,0,0|1,1,0]=4 2202 B10R1.3 CNc1ccc(nn1)OC 27a_100102657272_100010231723 [2,0,0,0,0,0|2,0,0]=4 2203 B10R1.3 CNc1ncc(cn1)OC 27a_100102657272_100000069167 [2,0,0,0,0,0|2,0,0]=4 2204 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 2205 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 2206 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2207 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [2,0,0,0,0,0|0,0,2]=4 2208 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [2,0,0,0,0,0|0,0,0]=2 2209 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [2,0,0,0,0,0|1,0,0]=3 2210 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [2,0,0,0,0,0|1,0,0]=3 2211 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [2,0,0,0,0,0|1,0,0]=3 2212 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [2,0,0,0,0,0|1,0,0]=3 2213 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [2,0,0,0,0,0|1,0,0]=3 2214 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [2,0,0,0,0,0|2,0,0]=4 2215 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [2,0,0,0,0,0|2,0,0]=4 2216 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [2,0,0,0,0,0|2,0,0]=4 2217 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [2,0,0,0,0,0|2,0,0]=4 2218 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [2,0,0,0,0,0|2,0,0]=4 2219 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [2,0,0,0,0,0|2,0,0]=4 2220 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [2,0,0,0,0,0|2,0,0]=4 2221 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [2,0,0,0,0,0|2,0,0]=4 2222 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [2,0,0,0,0,0|2,0,0]=4 2223 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [2,0,0,0,0,0|2,0,0]=4 2224 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [2,0,0,0,0,0|2,0,0]=4 2225 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [2,0,0,0,0,0|2,0,0]=4 2226 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [2,0,0,0,0,0|0,1,0]=3 2227 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [2,0,0,0,0,0|0,1,0]=3 2228 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [2,0,0,0,0,0|1,1,0]=4 2229 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [2,0,0,0,0,0|1,1,0]=4 2230 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [2,0,0,0,0,0|0,1,0]=3 2231 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [2,0,0,0,0,0|1,0,0]=3 2232 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [2,0,0,0,0,0|1,1,0]=4 2233 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [2,0,0,0,0,0|1,1,0]=4 2234 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [2,0,0,0,0,0|1,1,0]=4 2235 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [2,0,0,0,0,0|1,1,0]=4 2236 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [2,0,0,0,0,0|1,1,0]=4 2237 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [2,0,0,0,0,0|1,1,0]=4 2238 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [2,0,0,0,0,0|1,1,0]=4 2239 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [2,0,0,0,0,0|1,1,0]=4 2240 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [2,0,0,0,0,0|2,0,0]=4 2241 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [2,0,0,0,0,0|2,0,0]=4 2242 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [2,0,0,0,0,0|2,0,0]=4 2243 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 2244 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 2245 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2246 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [2,0,0,0,0,0|0,0,2]=4 2247 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [2,0,0,0,0,0|0,1,0]=3 2248 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [2,0,0,0,0,0|0,1,0]=3 2249 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [2,0,0,0,0,0|1,1,0]=4 2250 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [2,0,0,0,0,0|1,1,0]=4 2251 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [2,0,0,0,0,0|1,1,0]=4 2252 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [2,0,0,0,0,0|1,1,0]=4 2253 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [2,0,0,0,0,0|1,1,0]=4 2254 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [2,0,0,0,0,0|1,1,0]=4 2255 B12R1.19 CC(=Cc1ccc(c(c1)Br)C)C 271570a_100102525489_100011847877 [1,1,0,0,0,0|2,0,0]=4 2256 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [1,1,0,0,0,0|2,0,0]=4 2257 B12R1.19 CC(=Cc1ccc(c(c1)C)C)C 271570a_100102525489_100011215607 [1,1,0,0,0,0|2,0,0]=4 2258 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [1,1,0,0,0,0|2,0,0]=4 2259 B12R1.19 CC(=Cc1ccc(c(c1)Cl)C)C 271570a_100102525489_100011216363 [1,1,0,0,0,0|2,0,0]=4 2260 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [1,1,0,0,0,0|2,0,0]=4 2261 B12R1.19 CC(=Cc1ccc(c(c1)F)C)C 271570a_100102525489_100000720648 [1,1,0,0,0,0|2,0,0]=4 2262 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [1,1,0,0,0,0|2,0,0]=4 2263 B12R1.19 CC(=Cc1ccc(c(c1)N)C)C 271570a_100102525489_100000761890 [1,1,0,0,0,0|2,0,0]=4 2264 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [1,1,0,0,0,0|2,0,0]=4 2265 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [1,1,0,0,0,0|2,0,0]=4 2266 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [1,1,0,0,0,0|2,0,0]=4 2267 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [1,1,0,0,0,0|2,0,0]=4 2268 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [1,1,0,0,0,0|2,0,0]=4 2269 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [1,1,0,0,0,0|1,0,0]=3 2270 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [1,1,0,0,0,0|1,0,0]=3 2271 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [1,1,0,0,0,0|2,0,0]=4 2272 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [1,1,0,0,0,0|2,0,0]=4 2273 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [1,1,0,0,0,0|2,0,0]=4 2274 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [1,1,0,0,0,0|2,0,0]=4 2275 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [1,1,0,0,0,0|1,0,0]=3 2276 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [1,1,0,0,0,0|2,0,0]=4 2277 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [1,1,0,0,0,0|2,0,0]=4 2278 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [1,1,0,0,0,0|1,0,0]=3 2279 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [1,1,0,0,0,0|1,0,0]=3 2280 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [1,1,0,0,0,0|2,0,0]=4 2281 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [1,1,0,0,0,0|2,0,0]=4 2282 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [1,1,0,0,0,0|2,0,0]=4 2283 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [1,1,0,0,0,0|1,0,0]=3 2284 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [1,1,0,0,0,0|2,0,0]=4 2285 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [1,1,0,0,0,0|2,0,0]=4 2286 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [1,1,0,0,0,0|1,0,0]=3 2287 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [1,1,0,0,0,0|2,0,0]=4 2288 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [1,1,0,0,0,0|2,0,0]=4 2289 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [1,1,0,0,0,0|2,0,0]=4 2290 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [1,1,0,0,0,0|2,0,0]=4 2291 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [1,1,0,0,0,0|2,0,0]=4 2292 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [1,1,0,0,0,0|1,0,0]=3 2293 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [1,1,0,0,0,0|2,0,0]=4 2294 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [1,1,0,0,0,0|2,0,0]=4 2295 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [1,1,0,0,0,0|1,0,0]=3 2296 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [1,1,0,0,0,0|1,0,0]=3 2297 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [1,1,0,0,0,0|2,0,0]=4 2298 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2299 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [1,1,0,0,0,0|2,0,0]=4 2300 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [1,1,0,0,0,0|2,0,0]=4 2301 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [1,1,0,0,0,0|2,0,0]=4 2302 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2303 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [1,1,0,0,0,0|1,0,0]=3 2304 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [1,1,0,0,0,0|2,0,0]=4 2305 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [1,1,0,0,0,0|1,0,0]=3 2306 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [1,1,0,0,0,0|2,0,0]=4 2307 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [1,1,0,0,0,0|1,0,0]=3 2308 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2309 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [1,1,0,0,0,0|1,0,0]=3 2310 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [1,1,0,0,0,0|1,0,0]=3 2311 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [1,1,0,0,0,0|1,0,0]=3 2312 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [1,1,0,0,0,0|1,0,0]=3 2313 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [1,1,0,0,0,0|1,0,0]=3 2314 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [1,1,0,0,0,0|1,0,0]=3 2315 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [1,1,0,0,0,0|0,0,0]=2 2316 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [1,1,0,0,0,0|0,0,0]=2 2317 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [1,1,0,0,0,0|0,0,0]=2 2318 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [1,1,0,0,0,0|0,0,0]=2 2319 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [1,1,0,0,0,0|1,0,0]=3 2320 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [1,1,0,0,0,0|1,0,0]=3 2321 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [1,1,0,0,0,0|1,0,0]=3 2322 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [1,1,0,0,0,0|1,0,0]=3 2323 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [1,1,0,0,0,0|1,0,0]=3 2324 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [1,1,0,0,0,0|1,0,0]=3 2325 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [1,1,0,0,0,0|1,0,0]=3 2326 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [1,1,0,0,0,0|1,0,0]=3 2327 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [1,1,0,0,0,0|1,0,0]=3 2328 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [1,1,0,0,0,0|1,0,0]=3 2329 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [1,1,0,0,0,0|1,0,0]=3 2330 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [1,1,0,0,0,0|1,0,0]=3 2331 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [1,1,0,0,0,0|0,0,0]=2 2332 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [1,1,0,0,0,0|0,0,0]=2 2333 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [1,1,0,0,0,0|1,0,0]=3 2334 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [1,1,0,0,0,0|1,0,0]=3 2335 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [1,1,0,0,0,0|1,0,0]=3 2336 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [1,1,0,0,0,0|1,0,0]=3 2337 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [1,1,0,0,0,0|0,0,0]=2 2338 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [1,1,0,0,0,0|0,0,0]=2 2339 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [1,1,0,0,0,0|0,0,0]=2 2340 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [1,1,0,0,0,0|0,0,0]=2 2341 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [1,1,0,0,0,0|1,0,0]=3 2342 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [1,1,0,0,0,0|1,0,0]=3 2343 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [1,1,0,0,0,0|1,0,0]=3 2344 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [1,1,0,0,0,0|1,0,0]=3 2345 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [1,1,0,0,0,0|1,0,0]=3 2346 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [1,1,0,0,0,0|1,0,0]=3 2347 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [1,1,0,0,0,0|1,0,0]=3 2348 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [1,1,0,0,0,0|1,0,0]=3 2349 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [1,1,0,0,0,0|1,0,0]=3 2350 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [1,1,0,0,0,0|1,0,0]=3 2351 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [1,1,0,0,0,0|1,0,0]=3 2352 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [1,1,0,0,0,0|1,0,0]=3 2353 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [1,1,0,0,0,0|0,0,0]=2 2354 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [1,1,0,0,0,0|0,0,0]=2 2355 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [1,1,0,0,0,0|0,0,0]=2 2356 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [1,1,0,0,0,0|0,0,0]=2 2357 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [1,1,0,0,0,0|1,0,0]=3 2358 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [1,1,0,0,0,0|1,0,0]=3 2359 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [1,1,0,0,0,0|1,0,0]=3 2360 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [1,1,0,0,0,0|1,0,0]=3 2361 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [1,1,0,0,0,0|0,0,0]=2 2362 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [1,1,0,0,0,0|0,0,0]=2 2363 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [1,1,0,0,0,0|0,0,0]=2 2364 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [1,1,0,0,0,0|0,0,0]=2 2365 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [1,1,0,0,0,0|1,0,0]=3 2366 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [1,1,0,0,0,0|1,0,0]=3 2367 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [1,1,0,0,0,0|1,0,0]=3 2368 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [1,1,0,0,0,0|1,0,0]=3 2369 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [1,1,0,0,0,0|1,0,0]=3 2370 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [1,1,0,0,0,0|1,0,0]=3 2371 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [1,1,0,0,0,0|1,0,0]=3 2372 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [1,1,0,0,0,0|1,0,0]=3 2373 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [1,1,0,0,0,0|1,0,0]=3 2374 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [1,1,0,0,0,0|1,0,0]=3 2375 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [1,1,0,0,0,0|1,0,0]=3 2376 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [1,1,0,0,0,0|0,0,0]=2 2377 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [1,1,0,0,0,0|1,0,0]=3 2378 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [1,1,0,0,0,0|1,0,0]=3 2379 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [1,1,0,0,0,0|1,0,0]=3 2380 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [1,1,0,0,0,0|1,0,0]=3 2381 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [1,1,0,0,0,0|0,0,0]=2 2382 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [1,1,0,0,0,0|0,0,0]=2 2383 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [1,1,0,0,0,0|0,0,0]=2 2384 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [1,1,0,0,0,0|0,0,0]=2 2385 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [1,1,0,0,0,0|1,0,0]=3 2386 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [1,1,0,0,0,0|1,0,0]=3 2387 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [1,1,0,0,0,0|1,0,0]=3 2388 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [1,1,0,0,0,0|1,0,0]=3 2389 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [1,1,0,0,0,0|1,0,0]=3 2390 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [1,1,0,0,0,0|1,0,0]=3 2391 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [1,1,0,0,0,0|1,0,0]=3 2392 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [1,1,0,0,0,0|1,0,0]=3 2393 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [1,1,0,0,0,0|1,0,0]=3 2394 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [1,1,0,0,0,0|0,0,0]=2 2395 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [1,1,0,0,0,0|0,0,0]=2 2396 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [1,1,0,0,0,0|0,0,0]=2 2397 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [1,1,0,0,0,0|1,0,0]=3 2398 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [1,1,0,0,0,0|1,0,0]=3 2399 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [1,1,0,0,0,0|1,0,0]=3 2400 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [1,1,0,0,0,0|1,0,0]=3 2401 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [1,1,0,0,0,0|0,0,0]=2 2402 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [1,1,0,0,0,0|0,0,0]=2 2403 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [1,1,0,0,0,0|0,0,0]=2 2404 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [1,1,0,0,0,0|0,0,0]=2 2405 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [1,1,0,0,0,0|1,0,0]=3 2406 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [1,1,0,0,0,0|1,0,0]=3 2407 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [1,1,0,0,0,0|1,0,0]=3 2408 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [1,1,0,0,0,0|1,0,0]=3 2409 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [1,1,0,0,0,0|1,0,0]=3 2410 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [1,1,0,0,0,0|1,0,0]=3 2411 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [1,1,0,0,0,0|1,0,0]=3 2412 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [1,1,0,0,0,0|1,0,0]=3 2413 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [1,1,0,0,0,0|0,0,0]=2 2414 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [1,1,0,0,0,0|0,0,0]=2 2415 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [1,1,0,0,0,0|0,0,0]=2 2416 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [1,1,0,0,0,0|0,0,0]=2 2417 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [1,1,0,0,0,0|1,0,0]=3 2418 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [1,1,0,0,0,0|1,0,0]=3 2419 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [1,1,0,0,0,0|1,0,0]=3 2420 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [1,1,0,0,0,0|1,0,0]=3 2421 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [1,1,0,0,0,0|0,0,0]=2 2422 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [1,1,0,0,0,0|0,0,0]=2 2423 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [1,1,0,0,0,0|1,0,0]=3 2424 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [1,1,0,0,0,0|1,0,0]=3 2425 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [1,1,0,0,0,0|1,0,0]=3 2426 B12R1.19 CC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000210206 [1,1,0,0,0,0|1,0,1]=4 2427 B12R1.19 CC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100000210206 [1,1,0,0,0,0|1,0,1]=4 2428 B12R1.19 CC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100000210206 [1,1,0,0,0,0|1,0,1]=4 2429 B12R1.19 CC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000210206 [1,1,0,0,0,0|1,0,1]=4 2430 B12R1.19 CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000210206 [1,1,0,0,0,0|1,0,1]=4 2431 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [1,1,0,0,0,0|2,0,0]=4 2432 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [1,1,0,0,0,0|2,0,0]=4 2433 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [1,1,0,0,0,0|1,0,0]=3 2434 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [1,1,0,0,0,0|1,0,0]=3 2435 B12R1.19 Cc1cc(ccc1O)NC(C)C 34a_100011218179_100000210206 [1,1,0,0,0,0|1,0,1]=4 2436 B12R1.19 Cc1cc(ccc1O)NC(C)C 7a_100011218179_100000210206 [1,1,0,0,0,0|1,0,1]=4 2437 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [1,1,0,0,0,0|1,0,0]=3 2438 B12R1.19 Cc1ccc(cc1Br)NC(C)C 2230a_100000736455_100000210206 [1,1,0,0,0,0|1,0,1]=4 2439 B12R1.19 Cc1ccc(cc1Br)NC(C)C 34a_100000736455_100000210206 [1,1,0,0,0,0|1,0,1]=4 2440 B12R1.19 Cc1ccc(cc1Br)NC(C)C 7a_100000736455_100000210206 [1,1,0,0,0,0|1,0,1]=4 2441 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [1,1,0,0,0,0|1,0,0]=3 2442 B12R1.19 Cc1ccc(cc1C)NC(C)C 2230a_100000724040_100000210206 [1,1,0,0,0,0|1,0,1]=4 2443 B12R1.19 Cc1ccc(cc1C)NC(C)C 34a_100000724040_100000210206 [1,1,0,0,0,0|1,0,1]=4 2444 B12R1.19 Cc1ccc(cc1C)NC(C)C 7a_100000724040_100000210206 [1,1,0,0,0,0|1,0,1]=4 2445 B12R1.19 Cc1ccc(cc1Cl)NC(C)C 2230a_100000188892_100000210206 [1,1,0,0,0,0|1,0,1]=4 2446 B12R1.19 Cc1ccc(cc1Cl)NC(C)C 34a_100000188892_100000210206 [1,1,0,0,0,0|1,0,1]=4 2447 B12R1.19 Cc1ccc(cc1Cl)NC(C)C 7a_100000188892_100000210206 [1,1,0,0,0,0|1,0,1]=4 2448 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [1,1,0,0,0,0|1,0,0]=3 2449 B12R1.19 Cc1ccc(cc1F)NC(C)C 2230a_100000210958_100000210206 [1,1,0,0,0,0|1,0,1]=4 2450 B12R1.19 Cc1ccc(cc1F)NC(C)C 34a_100000210958_100000210206 [1,1,0,0,0,0|1,0,1]=4 2451 B12R1.19 Cc1ccc(cc1F)NC(C)C 7a_100000210958_100000210206 [1,1,0,0,0,0|1,0,1]=4 2452 B12R1.19 Cc1ccc(cc1I)NC(C)C 34a_100000184131_100000210206 [1,1,0,0,0,0|1,0,1]=4 2453 B12R1.19 Cc1ccc(cc1I)NC(C)C 7a_100000184131_100000210206 [1,1,0,0,0,0|1,0,1]=4 2454 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [1,1,0,0,0,0|1,0,0]=3 2455 B12R1.19 Cc1ccc(cc1O)NC(C)C 34a_100000759471_100000210206 [1,1,0,0,0,0|1,0,1]=4 2456 B12R1.19 Cc1ccc(cc1O)NC(C)C 7a_100000759471_100000210206 [1,1,0,0,0,0|1,0,1]=4 2457 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [1,1,0,0,0,0|2,0,0]=4 2458 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [1,1,0,0,0,0|2,0,0]=4 2459 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [1,1,0,0,0,0|1,0,0]=3 2460 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [1,1,0,0,0,0|2,0,0]=4 2461 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [1,1,0,0,0,0|2,0,0]=4 2462 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [1,1,0,0,0,0|2,0,0]=4 2463 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [1,1,0,0,0,0|1,0,0]=3 2464 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [1,1,0,0,0,0|2,0,0]=4 2465 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2466 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [1,1,0,0,0,0|2,0,0]=4 2467 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2468 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [1,1,0,0,0,0|1,0,0]=3 2469 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2470 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [1,1,0,0,0,0|2,0,0]=4 2471 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [1,1,0,0,0,0|2,0,0]=4 2472 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [1,1,0,0,0,0|1,0,0]=3 2474 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [1,1,0,0,0,0|1,0,0]=3 2475 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [1,1,0,0,0,0|2,0,0]=4 2477 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [1,1,0,0,0,0|2,0,0]=4 2478 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [1,1,0,0,0,0|1,0,0]=3 2480 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [1,1,0,0,0,0|1,0,0]=3 2484 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [1,1,0,0,0,0|1,0,0]=3 2485 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [1,1,0,0,0,0|1,0,0]=3 2486 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [1,1,0,0,0,0|1,0,0]=3 2487 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [1,1,0,0,0,0|0,0,0]=2 2488 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [1,1,0,0,0,0|0,0,0]=2 2489 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [1,1,0,0,0,0|0,0,0]=2 2490 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [1,1,0,0,0,0|1,0,0]=3 2491 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [1,1,0,0,0,0|1,0,0]=3 2492 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [1,1,0,0,0,0|1,0,0]=3 2493 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [1,1,0,0,0,0|1,0,0]=3 2494 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [1,1,0,0,0,0|1,0,0]=3 2495 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [1,1,0,0,0,0|1,0,0]=3 2496 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [1,1,0,0,0,0|1,0,0]=3 2497 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [1,1,0,0,0,0|1,0,0]=3 2498 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [1,1,0,0,0,0|1,0,0]=3 2499 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [1,1,0,0,0,0|0,0,0]=2 2500 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [1,1,0,0,0,0|0,0,0]=2 2501 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [1,1,0,0,0,0|0,0,0]=2 2502 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [1,1,0,0,0,0|1,0,0]=3 2503 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [1,1,0,0,0,0|2,0,0]=4 2506 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [1,1,0,0,0,0|1,0,0]=3 2507 B12R1.20 CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000210206 [1,1,0,0,0,0|1,0,1]=4 2508 B12R1.20 CC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000210206 [1,1,0,0,0,0|1,0,1]=4 2509 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [1,1,0,0,0,0|1,0,0]=3 2510 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000219977_100000210206 [1,1,0,0,0,0|1,0,1]=4 2511 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 2512 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000219977_100000210206 [1,1,0,0,0,0|1,0,1]=4 2513 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 2514 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000219977_100000210206 [1,1,0,0,0,0|1,0,1]=4 2515 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 2516 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 7a_100000748792_200000210301 [1,1,0,0,0,0|1,0,1]=4 2517 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 2230a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 269982a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 2519 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 34a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 2520 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 7a_100000748792_200025704644 [1,1,0,0,0,0|1,0,1]=4 2521 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [1,1,0,0,0,0|1,0,0]=3 2522 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [1,1,0,0,0,0|2,0,0]=4 2523 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2524 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [1,1,0,0,0,0|2,0,0]=4 2526 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [1,1,0,0,0,0|1,0,0]=3 2527 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [1,1,0,0,0,0|2,0,0]=4 2528 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [1,1,0,0,0,0|1,0,1]=4 2529 B12R1.49 C#CC(C)Nc1ccc(cc1)C 34a_100000124888_200000035995 [1,1,0,0,0,0|1,0,1]=4 2530 B12R1.49 C#CC(C)Nc1ccc(cc1)O 34a_100000185829_200000035995 [1,1,0,0,0,0|1,0,1]=4 2531 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [1,1,0,0,0,0|1,0,1]=4 2532 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [1,1,0,0,0,0|1,0,1]=4 2533 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [1,1,0,0,0,0|1,0,1]=4 2534 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [1,1,0,0,0,0|0,0,1]=3 2535 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [1,1,0,0,0,0|0,0,1]=3 2536 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [1,1,0,0,0,0|1,0,1]=4 2537 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [1,1,0,0,0,0|1,0,1]=4 2538 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [1,1,0,0,0,0|1,0,1]=4 2539 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [1,1,0,0,0,0|1,0,1]=4 2540 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [1,1,0,0,0,0|1,0,1]=4 2541 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [1,1,0,0,0,0|1,0,1]=4 2542 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [1,1,0,0,0,0|0,0,1]=3 2543 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [1,1,0,0,0,0|0,0,2]=4 2544 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [1,1,0,0,0,0|2,0,0]=4 2545 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [1,1,0,0,0,0|2,0,0]=4 2546 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [1,1,0,0,0,0|1,0,0]=3 2547 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [1,1,0,0,0,0|1,0,0]=3 2548 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [1,1,0,0,0,0|2,0,0]=4 2549 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [1,1,0,0,0,0|2,0,0]=4 2551 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [1,1,0,0,0,0|2,0,0]=4 2552 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [1,1,0,0,0,0|2,0,0]=4 2553 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [1,1,0,0,0,0|2,0,0]=4 2554 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [1,1,0,0,0,0|1,0,0]=3 2555 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [1,1,0,0,0,0|2,0,0]=4 2556 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [1,1,0,0,0,0|2,0,0]=4 2557 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [1,1,0,0,0,0|2,0,0]=4 2558 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [1,1,0,0,0,0|2,0,0]=4 2559 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [1,1,0,0,0,0|1,0,0]=3 2560 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [1,1,0,0,0,0|1,0,0]=3 2561 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [1,1,0,0,0,0|1,0,0]=3 2562 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [1,1,0,0,0,0|1,0,0]=3 2563 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [1,1,0,0,0,0|0,0,0]=2 2564 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [1,1,0,0,0,0|0,0,0]=2 2565 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [1,1,0,0,0,0|0,0,0]=2 2566 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [1,1,0,0,0,0|0,0,0]=2 2567 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [1,1,0,0,0,0|1,0,0]=3 2568 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [1,1,0,0,0,0|1,0,0]=3 2569 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [1,1,0,0,0,0|1,0,0]=3 2570 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [1,1,0,0,0,0|1,0,0]=3 2571 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [1,1,0,0,0,0|1,0,0]=3 2572 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [1,1,0,0,0,0|1,0,0]=3 2573 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [1,1,0,0,0,0|1,0,0]=3 2574 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [1,1,0,0,0,0|1,0,0]=3 2575 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [1,1,0,0,0,0|1,0,0]=3 2576 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [1,1,0,0,0,0|1,0,0]=3 2577 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [1,1,0,0,0,0|1,0,0]=3 2578 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [1,1,0,0,0,0|1,0,0]=3 2579 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [1,1,0,0,0,0|0,0,0]=2 2580 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [1,1,0,0,0,0|1,0,0]=3 2581 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [1,1,0,0,0,0|1,0,1]=4 2582 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [1,1,0,0,0,0|1,0,1]=4 2583 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [1,1,0,0,0,0|2,0,0]=4 2584 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 2585 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 2586 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [1,1,0,0,0,0|1,0,0]=3 2587 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [1,1,0,0,0,0|1,0,0]=3 2588 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [1,1,0,0,0,0|1,0,0]=3 2589 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 2591 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 2592 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 2594 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 2595 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 2596 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [1,1,0,0,0,0|2,0,0]=4 2597 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 2598 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 2599 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 2600 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 2601 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 2602 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [1,1,0,0,0,0|1,0,0]=3 2603 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 2604 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [1,1,0,0,0,0|2,0,0]=4 2605 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [1,1,0,0,0,0|2,0,0]=4 2606 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [1,1,0,0,0,0|2,0,0]=4 2607 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [1,1,0,0,0,0|2,0,0]=4 2608 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [1,1,0,0,0,0|2,0,0]=4 2609 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [1,1,0,0,0,0|2,0,0]=4 2610 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [1,1,0,0,0,0|2,0,0]=4 2611 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [1,1,0,0,0,0|1,0,0]=3 2612 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [1,1,0,0,0,0|0,0,0]=2 2613 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [1,1,0,0,0,0|1,0,0]=3 2614 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [1,1,0,0,0,0|1,0,0]=3 2615 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [1,1,0,0,0,0|1,0,0]=3 2616 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [1,1,0,0,0,0|0,0,0]=2 2617 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [1,1,0,0,0,0|1,0,0]=3 2618 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [1,1,0,0,0,0|2,0,0]=4 2619 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [1,1,0,0,0,0|2,0,0]=4 2620 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [1,1,0,0,0,0|0,0,0]=2 2621 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [1,1,0,0,0,0|1,0,0]=3 2622 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [1,1,0,0,0,0|1,0,0]=3 2623 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [1,1,0,0,0,0|1,0,0]=3 2624 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [1,1,0,0,0,0|0,0,0]=2 2625 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [1,1,0,0,0,0|0,0,0]=2 2626 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [1,1,0,0,0,0|0,0,2]=4 2627 B12R1.49 Cc1ccc(cn1)CC(=O)CF 1458a_100000740413_100015361967 [1,1,0,0,0,0|2,0,0]=4 2628 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [1,1,0,0,0,0|2,0,0]=4 2629 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [1,1,0,0,0,0|2,0,0]=4 2630 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [1,1,0,0,0,0|2,0,0]=4 2631 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [1,1,0,0,0,0|2,0,0]=4 2632 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [1,1,0,0,0,0|2,0,0]=4 2633 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [1,1,0,0,0,0|2,0,0]=4 2634 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [1,1,0,0,0,0|2,0,0]=4 2635 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [1,1,0,0,0,0|1,0,0]=3 2636 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [1,1,0,0,0,0|2,0,0]=4 2637 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [1,1,0,0,0,0|2,0,0]=4 2638 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [1,1,0,0,0,0|2,0,0]=4 2639 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [1,1,0,0,0,0|2,0,0]=4 2640 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [1,1,0,0,0,0|1,0,0]=3 2641 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [1,1,0,0,0,0|1,0,0]=3 2642 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [1,1,0,0,0,0|1,0,0]=3 2643 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [1,1,0,0,0,0|1,0,0]=3 2644 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [1,1,0,0,0,0|1,0,0]=3 2645 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [1,1,0,0,0,0|1,0,0]=3 2646 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [1,1,0,0,0,0|1,0,0]=3 2647 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [1,1,0,0,0,0|1,0,0]=3 2648 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [1,1,0,0,0,0|0,0,0]=2 2649 B12R1.106 CC(C)(C)Nc1ccc(cc1)O 34a_100000185829_100000210625 [1,1,0,0,0,0|1,0,1]=4 2650 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [1,1,0,0,0,0|2,0,0]=4 2651 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)Cl 40a_100000210052_100000738038 [1,1,0,0,0,0|2,0,0]=4 2652 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)F 40a_100000185862_100000738038 [1,1,0,0,0,0|2,0,0]=4 2653 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)I 40a_100000185761_100000738038 [1,1,0,0,0,0|2,0,0]=4 2654 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O 271570a_203496583355_200000165602 [1,1,0,0,0,0|1,0,0]=3 2655 B12R1.106 CS(=O)(=O)Nc1ccc(nc1)O 271570a_203496583355_100012886670 [1,1,0,0,0,0|2,0,0]=4 2656 B12R1.106 Cc1ccc(cc1)NC(C)(C)C 34a_100000124888_100000210625 [1,1,0,0,0,0|1,0,1]=4 2657 B12R1.106 Cc1ccc(cc1)NS(=O)(=O)C 40a_100000124888_100000738038 [1,1,0,0,0,0|1,0,0]=3 2658 B12R1.233 CC(=Cc1ccc(cc1Br)C)C 271570a_100102525489_100009813563 [1,1,0,0,0,0|2,0,0]=4 2659 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [1,1,0,0,0,0|2,0,0]=4 2660 B12R1.233 CC(=Cc1ccc(cc1C)C)C 271570a_100102525489_100011217332 [1,1,0,0,0,0|2,0,0]=4 2661 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [1,1,0,0,0,0|2,0,0]=4 2662 B12R1.233 CC(=Cc1ccc(cc1Cl)C)C 271570a_100102525489_100011263221 [1,1,0,0,0,0|2,0,0]=4 2663 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [1,1,0,0,0,0|2,0,0]=4 2664 B12R1.233 CC(=Cc1ccc(cc1F)C)C 271570a_100102525489_100011216119 [1,1,0,0,0,0|2,0,0]=4 2665 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [1,1,0,0,0,0|2,0,0]=4 2666 B12R1.233 CC(=Cc1ccc(cc1N)C)C 271570a_100102525489_100011216686 [1,1,0,0,0,0|2,0,0]=4 2667 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [1,1,0,0,0,0|2,0,0]=4 2668 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [1,1,0,0,0,0|2,0,0]=4 2669 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [1,1,0,0,0,0|2,0,0]=4 2670 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [1,1,0,0,0,0|2,0,0]=4 2671 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [1,1,0,0,0,0|2,0,0]=4 2672 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [1,1,0,0,0,0|2,0,0]=4 2673 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [1,1,0,0,0,0|2,0,0]=4 2674 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [1,1,0,0,0,0|2,0,0]=4 2675 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [1,1,0,0,0,0|2,0,0]=4 2676 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [1,1,0,0,0,0|2,0,0]=4 2677 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [1,1,0,0,0,0|1,0,0]=3 2678 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [1,1,0,0,0,0|2,0,0]=4 2679 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [1,1,0,0,0,0|1,0,0]=3 2681 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [1,1,0,0,0,0|1,0,0]=3 2682 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [1,1,0,0,0,0|2,0,0]=4 2683 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [1,1,0,0,0,0|2,0,0]=4 2686 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [1,1,0,0,0,0|2,0,0]=4 2687 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [1,1,0,0,0,0|1,0,0]=3 2688 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [1,1,0,0,0,0|2,0,0]=4 2689 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [1,1,0,0,0,0|2,0,0]=4 2690 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [1,1,0,0,0,0|2,0,0]=4 2691 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [1,1,0,0,0,0|2,0,0]=4 2692 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [1,1,0,0,0,0|2,0,0]=4 2693 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [1,1,0,0,0,0|2,0,0]=4 2694 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [1,1,0,0,0,0|1,0,0]=3 2695 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [1,1,0,0,0,0|1,0,0]=3 2696 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [1,1,0,0,0,0|2,0,0]=4 2697 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [1,1,0,0,0,0|2,0,0]=4 2698 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [1,1,0,0,0,0|2,0,0]=4 2699 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [1,1,0,0,0,0|2,0,0]=4 2700 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [1,1,0,0,0,0|2,0,0]=4 2701 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [1,1,0,0,0,0|1,0,0]=3 2703 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [1,1,0,0,0,0|2,0,0]=4 2704 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [1,1,0,0,0,0|2,0,0]=4 2705 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [1,1,0,0,0,0|2,0,0]=4 2706 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [1,1,0,0,0,0|2,0,0]=4 2707 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [1,1,0,0,0,0|2,0,0]=4 2708 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [1,1,0,0,0,0|2,0,0]=4 2709 B12R1.233 CC(=O)Cn1ccc(cc1=O)C 1458a_100000721392_200000210301 [1,1,0,0,0,0|2,0,0]=4 2710 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [1,1,0,0,0,0|1,0,0]=3 2711 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [1,1,0,0,0,0|1,0,0]=3 2712 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [1,1,0,0,0,0|0,0,0]=2 2713 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [1,1,0,0,0,0|0,0,0]=2 2714 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [1,1,0,0,0,0|1,0,0]=3 2715 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [1,1,0,0,0,0|1,0,0]=3 2716 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [1,1,0,0,0,0|1,0,0]=3 2717 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [1,1,0,0,0,0|1,0,0]=3 2718 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [1,1,0,0,0,0|1,0,0]=3 2719 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [1,1,0,0,0,0|1,0,0]=3 2720 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [1,1,0,0,0,0|0,0,0]=2 2721 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [1,1,0,0,0,0|0,0,0]=2 2722 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [1,1,0,0,0,0|1,0,0]=3 2723 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [1,1,0,0,0,0|1,0,0]=3 2724 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [1,1,0,0,0,0|1,0,0]=3 2725 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [1,1,0,0,0,0|0,0,0]=2 2726 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [1,1,0,0,0,0|0,0,0]=2 2727 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [1,1,0,0,0,0|0,0,0]=2 2728 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [1,1,0,0,0,0|0,0,0]=2 2729 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [1,1,0,0,0,0|1,0,0]=3 2730 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [1,1,0,0,0,0|1,0,0]=3 2731 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [1,1,0,0,0,0|1,0,0]=3 2732 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [1,1,0,0,0,0|1,0,0]=3 2733 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [1,1,0,0,0,0|1,0,0]=3 2734 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [1,1,0,0,0,0|1,0,0]=3 2735 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [1,1,0,0,0,0|1,0,0]=3 2736 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [1,1,0,0,0,0|1,0,0]=3 2737 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [1,1,0,0,0,0|1,0,0]=3 2738 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [1,1,0,0,0,0|1,0,0]=3 2739 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [1,1,0,0,0,0|0,0,0]=2 2740 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [1,1,0,0,0,0|0,0,0]=2 2741 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [1,1,0,0,0,0|0,0,0]=2 2742 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [1,1,0,0,0,0|1,0,0]=3 2743 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [1,1,0,0,0,0|1,0,0]=3 2744 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [1,1,0,0,0,0|0,0,0]=2 2745 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [1,1,0,0,0,0|0,0,0]=2 2746 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [1,1,0,0,0,0|0,0,0]=2 2747 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [1,1,0,0,0,0|1,0,0]=3 2748 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [1,1,0,0,0,0|1,0,0]=3 2749 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [1,1,0,0,0,0|1,0,0]=3 2750 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [1,1,0,0,0,0|1,0,0]=3 2751 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [1,1,0,0,0,0|1,0,0]=3 2752 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [1,1,0,0,0,0|1,0,0]=3 2753 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [1,1,0,0,0,0|1,0,0]=3 2754 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [1,1,0,0,0,0|1,0,0]=3 2755 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [1,1,0,0,0,0|1,0,0]=3 2756 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [1,1,0,0,0,0|0,0,0]=2 2757 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [1,1,0,0,0,0|0,0,0]=2 2758 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [1,1,0,0,0,0|0,0,0]=2 2759 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [1,1,0,0,0,0|1,0,0]=3 2760 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [1,1,0,0,0,0|1,0,0]=3 2761 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [1,1,0,0,0,0|1,0,0]=3 2762 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [1,1,0,0,0,0|0,0,0]=2 2763 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [1,1,0,0,0,0|0,0,0]=2 2764 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [1,1,0,0,0,0|0,0,0]=2 2765 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [1,1,0,0,0,0|0,0,0]=2 2766 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [1,1,0,0,0,0|1,0,0]=3 2767 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [1,1,0,0,0,0|1,0,0]=3 2768 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [1,1,0,0,0,0|1,0,0]=3 2769 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [1,1,0,0,0,0|1,0,0]=3 2770 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [1,1,0,0,0,0|1,0,0]=3 2771 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [1,1,0,0,0,0|1,0,0]=3 2772 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [1,1,0,0,0,0|1,0,0]=3 2773 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [1,1,0,0,0,0|1,0,0]=3 2774 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [1,1,0,0,0,0|1,0,0]=3 2775 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [1,1,0,0,0,0|0,0,0]=2 2776 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [1,1,0,0,0,0|0,0,0]=2 2777 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [1,1,0,0,0,0|0,0,0]=2 2778 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [1,1,0,0,0,0|1,0,0]=3 2779 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [1,1,0,0,0,0|1,0,0]=3 2780 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [1,1,0,0,0,0|0,0,0]=2 2781 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [1,1,0,0,0,0|0,0,0]=2 2782 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [1,1,0,0,0,0|1,0,0]=3 2783 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [1,1,0,0,0,0|1,0,0]=3 2784 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [1,1,0,0,0,0|1,0,0]=3 2785 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [1,1,0,0,0,0|1,0,0]=3 2786 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [1,1,0,0,0,0|1,0,0]=3 2787 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [1,1,0,0,0,0|1,0,0]=3 2788 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [1,1,0,0,0,0|1,0,0]=3 2789 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [1,1,0,0,0,0|0,0,0]=2 2790 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [1,1,0,0,0,0|0,0,0]=2 2791 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [1,1,0,0,0,0|0,0,0]=2 2792 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [1,1,0,0,0,0|1,0,0]=3 2793 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [1,1,0,0,0,0|1,0,0]=3 2794 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [1,1,0,0,0,0|1,0,0]=3 2795 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [1,1,0,0,0,0|0,0,0]=2 2796 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [1,1,0,0,0,0|0,0,0]=2 2797 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [1,1,0,0,0,0|0,0,0]=2 2798 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [1,1,0,0,0,0|1,0,0]=3 2799 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [1,1,0,0,0,0|1,0,0]=3 2800 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [1,1,0,0,0,0|1,0,0]=3 2801 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [1,1,0,0,0,0|1,0,0]=3 2802 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [1,1,0,0,0,0|1,0,0]=3 2803 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [1,1,0,0,0,0|1,0,0]=3 2804 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [1,1,0,0,0,0|1,0,0]=3 2805 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [1,1,0,0,0,0|0,0,0]=2 2806 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [1,1,0,0,0,0|0,0,0]=2 2807 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [1,1,0,0,0,0|1,0,0]=3 2808 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [1,1,0,0,0,0|1,0,0]=3 2809 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [1,1,0,0,0,0|1,0,0]=3 2810 B12R1.233 CC(C)Nc1ccc(cc1Br)O 34a_100012001276_100000210206 [1,1,0,0,0,0|1,0,1]=4 2811 B12R1.233 CC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000210206 [1,1,0,0,0,0|1,0,1]=4 2812 B12R1.233 CC(C)Nc1ccc(cc1F)O 34a_100000759473_100000210206 [1,1,0,0,0,0|1,0,1]=4 2813 B12R1.233 CC(C)Nc1ccc(cc1I)O 34a_100010084370_100000210206 [1,1,0,0,0,0|1,0,1]=4 2814 B12R1.233 CC(C)Nc1ccc(cc1O)O 34a_100000106777_100000210206 [1,1,0,0,0,0|1,0,1]=4 2815 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2816 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2817 B12R1.233 Cc1cc(ccc1NC(C)C)O 34a_100000756630_100000210206 [1,1,0,0,0,0|1,0,1]=4 2818 B12R1.233 Cc1ccc(c(c1)Br)NC(C)C 34a_100000210942_100000210206 [1,1,0,0,0,0|1,0,1]=4 2819 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [1,1,0,0,0,0|1,0,0]=3 2820 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 34a_100000736561_100000210206 [1,1,0,0,0,0|1,0,1]=4 2821 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 7a_100000736561_100000210206 [1,1,0,0,0,0|1,0,1]=4 2822 B12R1.233 Cc1ccc(c(c1)Cl)NC(C)C 34a_100000210522_100000210206 [1,1,0,0,0,0|1,0,1]=4 2823 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [1,1,0,0,0,0|1,0,0]=3 2824 B12R1.233 Cc1ccc(c(c1)F)NC(C)C 34a_100000211023_100000210206 [1,1,0,0,0,0|1,0,1]=4 2825 B12R1.233 Cc1ccc(c(c1)I)NC(C)C 34a_100011356834_100000210206 [1,1,0,0,0,0|1,0,1]=4 2826 B12R1.233 Cc1ccc(c(c1)O)NC(C)C 34a_100000211527_100000210206 [1,1,0,0,0,0|1,0,1]=4 2827 B12R1.233 Cc1ccn(c(=O)c1)CC(=O)[13CH3] 1458a_100000721392_200025704644 [1,1,0,0,0,0|2,0,0]=4 2828 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [1,1,0,0,0,0|2,0,0]=4 2829 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [1,1,0,0,0,0|2,0,0]=4 2830 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [1,1,0,0,0,0|1,0,0]=3 2832 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [1,1,0,0,0,0|2,0,0]=4 2833 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [1,1,0,0,0,0|2,0,0]=4 2834 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2835 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [1,1,0,0,0,0|2,0,0]=4 2836 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [1,1,0,0,0,0|2,0,0]=4 2837 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2839 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [1,1,0,0,0,0|1,0,0]=3 2840 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [1,1,0,0,0,0|2,0,0]=4 2841 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [1,1,0,0,0,0|1,0,1]=4 2842 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [1,1,0,0,0,0|1,0,1]=4 2843 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [1,1,0,0,0,0|1,0,1]=4 2844 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [1,1,0,0,0,0|1,0,1]=4 2845 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [1,1,0,0,0,0|1,0,1]=4 2846 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [1,1,0,0,0,0|1,0,1]=4 2847 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [1,1,0,0,0,0|1,0,1]=4 2848 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [1,1,0,0,0,0|1,0,1]=4 2849 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [1,1,0,0,0,0|1,0,1]=4 2850 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [1,1,0,0,0,0|1,0,1]=4 2851 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [1,1,0,0,0,0|1,0,1]=4 2852 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [1,1,0,0,0,0|0,0,1]=3 2853 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [1,1,0,0,0,0|0,0,1]=3 2854 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [1,1,0,0,0,0|0,0,1]=3 2855 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [1,1,0,0,0,0|2,0,0]=4 2856 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [1,1,0,0,0,0|2,0,0]=4 2857 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [1,1,0,0,0,0|2,0,0]=4 2858 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [1,1,0,0,0,0|2,0,0]=4 2859 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [1,1,0,0,0,0|2,0,0]=4 2864 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [1,1,0,0,0,0|2,0,0]=4 2865 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [1,1,0,0,0,0|2,0,0]=4 2866 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [1,1,0,0,0,0|2,0,0]=4 2867 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [1,1,0,0,0,0|2,0,0]=4 2868 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [1,1,0,0,0,0|2,0,0]=4 2872 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [1,1,0,0,0,0|2,0,0]=4 2873 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [1,1,0,0,0,0|2,0,0]=4 2874 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [1,1,0,0,0,0|2,0,0]=4 2875 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [1,1,0,0,0,0|2,0,0]=4 2876 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [1,1,0,0,0,0|2,0,0]=4 2877 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [1,1,0,0,0,0|1,0,1]=4 2878 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [1,1,0,0,0,0|1,0,1]=4 2879 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [1,1,0,0,0,0|2,0,0]=4 2880 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [1,1,0,0,0,0|1,1,0]=4 2881 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [1,1,0,0,0,0|1,1,0]=4 2882 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [1,1,0,0,0,0|1,1,0]=4 2883 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [1,1,0,0,0,0|1,1,0]=4 2884 B12R1.71 C#CCNc1ccc(cc1)OC 34a_100000184247_100000184674 [1,1,0,0,0,0|0,0,2]=4 2885 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [1,1,0,0,0,0|1,0,1]=4 2886 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [1,1,0,0,0,0|1,0,1]=4 2887 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [1,1,0,0,0,0|1,0,1]=4 2888 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [1,1,0,0,0,0|0,0,1]=3 2889 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [1,1,0,0,0,0|0,1,1]=4 2890 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [1,1,0,0,0,0|1,0,1]=4 2891 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [1,1,0,0,0,0|1,0,1]=4 2892 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [1,1,0,0,0,0|1,0,1]=4 2893 B12R1.71 CC=NNc1ccc(cc1)C#N 4a_100000739705_200000210099 [1,1,0,0,0,0|2,0,0]=4 2894 B12R1.71 CC=NNc1ccc(cc1)CC 4a_100015204395_200000210099 [1,1,0,0,0,0|1,0,0]=3 2895 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [1,1,0,0,0,0|0,0,0]=2 2896 B12R1.71 CC=NNc1ccc(cc1)SC 4a_100000006515_200000210099 [1,1,0,0,0,0|0,1,0]=3 2897 B12R1.71 CC=NNc1ccc(nc1)OC 4a_100102564821_200000210099 [1,1,0,0,0,0|1,0,0]=3 2898 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [1,1,0,0,0,0|1,0,1]=4 2899 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [1,1,0,0,0,0|1,0,1]=4 2900 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [1,1,0,0,0,0|1,0,1]=4 2901 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [1,1,0,0,0,0|1,0,1]=4 2902 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [1,1,0,0,0,0|1,0,1]=4 2903 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [1,1,0,0,0,0|1,0,1]=4 2904 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [1,1,0,0,0,0|1,0,1]=4 2905 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [1,1,0,0,0,0|0,0,1]=3 2906 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [1,1,0,0,0,0|0,1,1]=4 2907 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2908 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [1,1,0,0,0,0|1,0,1]=4 2909 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2910 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2911 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2912 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [1,1,0,0,0,0|1,0,1]=4 2913 B12R1.71 CCNCc1ccc(cc1)CC 207a_100015525214_100000211036 [1,1,0,0,0,0|1,0,1]=4 2914 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100000721222_100000210202 [1,1,0,0,0,0|1,0,1]=4 2915 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100015525214_100000747183 [1,1,0,0,0,0|1,0,1]=4 2916 B12R1.71 CCNCc1ccc(cc1)CC 270004a_100015525214_100000211036 [1,1,0,0,0,0|1,0,1]=4 2917 B12R1.71 CCNCc1ccc(cc1)CC 34a_100000721222_100000210202 [1,1,0,0,0,0|1,0,1]=4 2918 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [1,1,0,0,0,0|0,0,1]=3 2919 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [1,1,0,0,0,0|0,0,1]=3 2920 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [1,1,0,0,0,0|0,0,1]=3 2921 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [1,1,0,0,0,0|0,0,1]=3 2922 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [1,1,0,0,0,0|0,0,1]=3 2923 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [1,1,0,0,0,0|0,0,1]=3 2924 B12R1.71 CCNCc1ccc(cc1)SC 207a_100015525214_100000211154 [1,1,0,0,0,0|0,1,1]=4 2925 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100000174980_100000210202 [1,1,0,0,0,0|0,1,1]=4 2926 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100015525214_100000181263 [1,1,0,0,0,0|0,1,1]=4 2927 B12R1.71 CCNCc1ccc(cc1)SC 270004a_100015525214_100000211154 [1,1,0,0,0,0|0,1,1]=4 2928 B12R1.71 CCNCc1ccc(cc1)SC 34a_100000174980_100000210202 [1,1,0,0,0,0|0,1,1]=4 2929 B12R1.71 CCNCc1ccc(cc1)SC 62a_100000187385_200000210301 [1,1,0,0,0,0|0,1,1]=4 2930 B12R1.71 CCNCc1ccc(cc1)SC 62a_200000210301_100000187385 [1,1,0,0,0,0|0,1,1]=4 2931 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_100000187385_200025704644 [1,1,0,0,0,0|0,1,1]=4 2932 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000187385 [1,1,0,0,0,0|0,1,1]=4 2933 B12R1.71 CCNCc1ccc(cn1)OC 207a_100015525214_100000701244 [1,1,0,0,0,0|1,0,1]=4 2934 B12R1.71 CCNCc1ccc(cn1)OC 2230a_100015525214_200000757186 [1,1,0,0,0,0|1,0,1]=4 2935 B12R1.71 CCNCc1ccc(cn1)OC 270004a_100015525214_100000701244 [1,1,0,0,0,0|1,0,1]=4 2936 B12R1.71 CCNCc1ccc(cn1)OC 34a_100000703904_100000210202 [1,1,0,0,0,0|1,0,1]=4 2937 B12R1.71 CCNCc1ccc(nc1)OC 207a_100015525214_100000761633 [1,1,0,0,0,0|1,0,1]=4 2938 B12R1.71 CCNCc1ccc(nc1)OC 2230a_100000241975_100000210202 [1,1,0,0,0,0|1,0,1]=4 2939 B12R1.71 CCNCc1ccc(nc1)OC 2230a_100015525214_100020631284 [1,1,0,0,0,0|1,0,1]=4 2940 B12R1.71 CCNCc1ccc(nc1)OC 270004a_100015525214_100000761633 [1,1,0,0,0,0|1,0,1]=4 2941 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [1,1,0,0,0,0|1,0,1]=4 2942 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [1,1,0,0,0,0|1,0,1]=4 2943 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [1,1,0,0,0,0|1,0,1]=4 2944 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [1,1,0,0,0,0|1,0,0]=3 2945 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [1,1,0,0,0,0|1,0,0]=3 2946 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [1,1,0,0,0,0|1,0,1]=4 2947 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [1,1,0,0,0,0|1,0,1]=4 2948 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [1,1,0,0,0,0|1,0,1]=4 2949 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [1,1,0,0,0,0|1,0,1]=4 2950 B12R1.71 CCc1ccc(cc1)NCOC 2230a_100000211069_100000766300 [1,1,0,0,0,0|1,0,1]=4 2951 B12R1.71 CCc1ccc(cc1)NCSC 2230a_100000211069_100011218213 [1,1,0,0,0,0|1,0,1]=4 2952 B12R1.71 CCc1ccc(cc1)NCSC 34a_100000211069_100011218213 [1,1,0,0,0,0|1,0,1]=4 2953 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [1,1,0,0,0,0|2,0,0]=4 2954 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [1,1,0,0,0,0|2,0,0]=4 2955 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [1,1,0,0,0,0|2,0,0]=4 2956 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [1,1,0,0,0,0|2,0,0]=4 2957 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [1,1,0,0,0,0|1,0,1]=4 2958 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [1,1,0,0,0,0|1,0,1]=4 2959 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [1,1,0,0,0,0|1,0,1]=4 2960 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [1,1,0,0,0,0|1,0,1]=4 2961 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [1,1,0,0,0,0|1,0,1]=4 2962 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [1,1,0,0,0,0|1,0,1]=4 2963 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [1,1,0,0,0,0|1,0,1]=4 2964 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [1,1,0,0,0,0|1,0,1]=4 2965 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [1,1,0,0,0,0|2,0,0]=4 2966 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [1,1,0,0,0,0|2,0,0]=4 2967 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [1,1,0,0,0,0|2,0,0]=4 2968 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [1,1,0,0,0,0|1,1,0]=4 2969 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [1,1,0,0,0,0|1,1,0]=4 2970 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [1,1,0,0,0,0|1,1,0]=4 2971 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [1,1,0,0,0,0|1,1,0]=4 2972 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [1,1,0,0,0,0|1,0,1]=4 2973 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [1,1,0,0,0,0|1,0,1]=4 2974 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [1,1,0,0,0,0|1,0,1]=4 2975 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [1,1,0,0,0,0|1,0,1]=4 2976 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [1,1,0,0,0,0|1,0,1]=4 2977 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [1,1,0,0,0,0|1,0,1]=4 2978 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [1,1,0,0,0,0|1,0,1]=4 2979 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [1,1,0,0,0,0|1,0,1]=4 2980 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [1,1,0,0,0,0|1,0,1]=4 2981 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [1,1,0,0,0,0|1,0,1]=4 2982 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [1,1,0,0,0,0|1,0,1]=4 2983 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [1,1,0,0,0,0|1,0,1]=4 2984 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [1,1,0,0,0,0|1,0,1]=4 2985 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [1,1,0,0,0,0|1,0,1]=4 2986 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [1,1,0,0,0,0|1,0,1]=4 2987 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [1,1,0,0,0,0|1,0,1]=4 2988 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [1,1,0,0,0,0|1,0,1]=4 2989 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [1,1,0,0,0,0|1,0,1]=4 2990 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [1,1,0,0,0,0|1,0,1]=4 2991 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [1,1,0,0,0,0|1,0,1]=4 2992 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [1,1,0,0,0,0|1,0,1]=4 2993 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [1,1,0,0,0,0|2,0,0]=4 2994 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [1,1,0,0,0,0|2,0,0]=4 2995 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [1,1,0,0,0,0|0,0,0]=2 2996 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [1,1,0,0,0,0|0,0,1]=3 2997 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [1,1,0,0,0,0|0,0,1]=3 2998 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [1,1,0,0,0,0|0,0,1]=3 2999 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [1,1,0,0,0,0|1,0,0]=3 3000 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [1,1,0,0,0,0|1,0,1]=4 3001 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [1,1,0,0,0,0|1,0,1]=4 3002 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [1,1,0,0,0,0|1,0,1]=4 3003 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [1,1,0,0,0,0|1,0,0]=3 3004 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [1,1,0,0,0,0|1,0,1]=4 3005 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [1,1,0,0,0,0|1,0,1]=4 3006 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [1,1,0,0,0,0|1,0,1]=4 3007 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [1,1,0,0,0,0|2,0,0]=4 3008 B12R1.71 COc1ccc(cn1)SCC=O 62a_100000047065_200015260668 [1,1,0,0,0,0|2,0,0]=4 3009 B12R1.71 COc1ccc(cn1)SCC=O 62a_200015260668_100000047065 [1,1,0,0,0,0|2,0,0]=4 3010 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [1,1,0,0,0,0|2,0,0]=4 3011 B12R1.71 COc1ccc(nc1)SCC=O 62a_100000755202_200015260668 [1,1,0,0,0,0|2,0,0]=4 3012 B12R1.71 COc1ccc(nc1)SCC=O 62a_200015260668_100000744180 [1,1,0,0,0,0|2,0,0]=4 3013 B12R1.71 CSCNc1ccc(cc1)SC 34a_100000212337_100011218213 [1,1,0,0,0,0|0,1,1]=4 3014 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [1,1,0,0,0,0|1,1,0]=4 3015 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [1,1,0,0,0,0|1,1,0]=4 3016 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [1,1,0,0,0,0|1,1,0]=4 3017 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [1,1,0,0,0,0|1,1,0]=4 3018 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [1,1,0,0,0,0|0,1,0]=3 3019 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [1,1,0,0,0,0|0,1,1]=4 3020 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [1,1,0,0,0,0|0,1,1]=4 3021 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [1,1,0,0,0,0|1,1,0]=4 3022 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [1,1,0,0,0,0|1,1,0]=4 3023 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [1,1,0,0,0,0|1,1,0]=4 3024 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [1,1,0,0,0,0|2,0,0]=4 3025 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [1,1,0,0,0,0|2,0,0]=4 3026 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [1,1,0,0,0,0|2,0,0]=4 3027 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [1,1,0,0,0,0|1,0,1]=4 3028 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [1,1,0,0,0,0|1,0,1]=4 3029 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [1,1,0,0,0,0|1,1,0]=4 3030 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [1,1,0,0,0,0|1,1,0]=4 3031 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [1,1,0,0,0,0|1,1,0]=4 3032 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [1,1,0,0,0,0|1,1,0]=4 3033 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [1,1,0,0,0,0|2,0,0]=4 3034 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [1,1,0,0,0,0|1,0,1]=4 3037 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [1,1,0,0,0,0|1,1,0]=4 3042 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.113 CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210202 [1,1,0,0,0,0|1,0,1]=4 3045 B12R1.113 CCNc1ccc(cc1)C(C)C 34a_100000210773_100000210202 [1,1,0,0,0,0|1,0,1]=4 3046 B12R1.113 CCNc1ccc(cc1)C(C)C 7a_100000210773_100000210202 [1,1,0,0,0,0|1,0,1]=4 3047 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [1,1,0,0,0,0|1,0,1]=4 3048 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [1,1,0,0,0,0|1,0,1]=4 3049 B12R1.113 CCNc1ccc(cc1)N(C)C 34a_100016997997_100000210202 [1,1,0,0,0,0|1,0,1]=4 3050 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [1,1,0,0,0,0|1,0,0]=3 3052 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [1,1,0,0,0,0|1,0,0]=3 3054 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [1,1,0,0,0,0|2,0,0]=4 3055 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [1,1,0,0,0,0|2,0,0]=4 3056 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [1,1,0,0,0,0|1,0,0]=3 3057 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [1,1,0,0,0,0|1,1,0]=4 3058 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [1,1,0,0,0,0|1,0,0]=3 3059 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [1,1,0,0,0,0|1,0,0]=3 3060 B12R1.114 CC=Cc1ccc(nc1C)OC 271570a_100016259895_100000766551 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.114 CC=Cc1ccc(nc1F)OC 271570a_100016259895_100010067559 [1,1,0,0,0,0|2,0,0]=4 3062 B12R1.114 CC=Cc1ccc(nc1N)OC 271570a_100016259895_100010187629 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.114 CC=Cc1cnc(cc1C)OC 271570a_100016259895_100011934368 [1,1,0,0,0,0|2,0,0]=4 3064 B12R1.114 CC=Cc1cnc(cc1F)OC 271570a_100016259895_100010136277 [1,1,0,0,0,0|2,0,0]=4 3065 B12R1.114 CC=Cc1cnc(cc1N)OC 271570a_100016259895_100010254562 [1,1,0,0,0,0|2,0,0]=4 3066 B12R1.114 CC=Cc1cnc(cc1O)OC 271570a_100016259895_100010738159 [1,1,0,0,0,0|2,0,0]=4 3067 B12R1.114 CC=Cc1ncc(cc1C)OC 271570a_100016259895_200009851512 [1,1,0,0,0,0|2,0,0]=4 3068 B12R1.114 CC=Cc1ncc(cc1N)OC 271570a_100016259895_100010074831 [1,1,0,0,0,0|2,0,0]=4 3069 B12R1.114 CCNc1ccc(cc1Br)CC 2230a_100012339725_100000210202 [1,1,0,0,0,0|1,0,1]=4 3070 B12R1.114 CCNc1ccc(cc1Br)CC 34a_100012339725_100000210202 [1,1,0,0,0,0|1,0,1]=4 3071 B12R1.114 CCNc1ccc(cc1Br)OC 34a_100015195136_100000210202 [1,1,0,0,0,0|0,0,1]=3 3072 B12R1.114 CCNc1ccc(cc1C)CC 2230a_100011226020_100000210202 [1,1,0,0,0,0|1,0,1]=4 3073 B12R1.114 CCNc1ccc(cc1C)CC 34a_100011226020_100000210202 [1,1,0,0,0,0|1,0,1]=4 3074 B12R1.114 CCNc1ccc(cc1C)CC 7a_100011226020_100000210202 [1,1,0,0,0,0|1,0,1]=4 3075 B12R1.114 CCNc1ccc(cc1C)OC 34a_100000750285_100000210202 [1,1,0,0,0,0|0,0,1]=3 3076 B12R1.114 CCNc1ccc(cc1Cl)OC 34a_100000747055_100000210202 [1,1,0,0,0,0|0,0,1]=3 3077 B12R1.114 CCNc1ccc(cc1F)CC 2230a_100016177294_100000210202 [1,1,0,0,0,0|1,0,1]=4 3078 B12R1.114 CCNc1ccc(cc1F)CC 34a_100016177294_100000210202 [1,1,0,0,0,0|1,0,1]=4 3079 B12R1.114 CCNc1ccc(cc1F)OC 34a_100011299463_100000210202 [1,1,0,0,0,0|0,0,1]=3 3080 B12R1.114 CCNc1ccc(cc1F)SC 34a_100012056844_100000210202 [1,1,0,0,0,0|0,1,1]=4 3081 B12R1.114 CCNc1ccc(cc1I)OC 34a_100000049804_100000210202 [1,1,0,0,0,0|0,0,1]=3 3082 B12R1.114 CCNc1ccc(cc1O)CC 34a_100000124328_100000210202 [1,1,0,0,0,0|1,0,1]=4 3083 B12R1.114 CCNc1ccc(cc1O)OC 34a_100016989039_100000210202 [1,1,0,0,0,0|0,0,1]=3 3084 B12R1.114 CCOc1ccc(cc1Br)OC 34a_100000685887_100000210202 [1,1,0,0,0,0|1,0,1]=4 3085 B12R1.114 CCOc1ccc(cc1Br)OC 7a_100000685887_100000210202 [1,1,0,0,0,0|1,0,1]=4 3086 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [1,1,0,0,0,0|1,0,1]=4 3087 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [1,1,0,0,0,0|1,0,1]=4 3088 B12R1.114 CCOc1ccc(cc1Cl)OC 34a_100000038596_100000210202 [1,1,0,0,0,0|1,0,1]=4 3089 B12R1.114 CCOc1ccc(cc1Cl)OC 7a_100000038596_100000210202 [1,1,0,0,0,0|1,0,1]=4 3090 B12R1.114 CCOc1ccc(cc1F)OC 34a_100000036999_100000210202 [1,1,0,0,0,0|1,0,1]=4 3091 B12R1.114 CCOc1ccc(cc1F)OC 34a_100012771078_200000210301 [1,1,0,0,0,0|1,0,1]=4 3092 B12R1.114 CCOc1ccc(cc1F)OC 7a_100000036999_100000210202 [1,1,0,0,0,0|1,0,1]=4 3093 B12R1.114 CCOc1ccc(cc1F)OC 7a_100012771078_200000210301 [1,1,0,0,0,0|1,0,1]=4 3094 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 34a_100012771078_200025704644 [1,1,0,0,0,0|1,0,1]=4 3095 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 7a_100012771078_200025704644 [1,1,0,0,0,0|1,0,1]=4 3096 B12R1.114 CCOc1ccc(cc1N)OC 34a_100000188146_100000210202 [1,1,0,0,0,0|1,0,1]=4 3097 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100000210202_100012349170 [1,1,0,0,0,0|1,0,1]=4 3098 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100012349170_100000210202 [1,1,0,0,0,0|1,0,1]=4 3099 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000210202_100000759875 [1,1,0,0,0,0|1,0,1]=4 3100 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000759875_100000210202 [1,1,0,0,0,0|1,0,1]=4 3101 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000210202_100000753793 [1,1,0,0,0,0|1,0,1]=4 3102 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000753793_100000210202 [1,1,0,0,0,0|1,0,1]=4 3103 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000210202_100000748021 [1,1,0,0,0,0|1,0,1]=4 3104 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000748021_100000210202 [1,1,0,0,0,0|1,0,1]=4 3105 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [1,1,0,0,0,0|1,0,1]=4 3106 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [1,1,0,0,0,0|2,0,0]=4 3109 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [1,1,0,0,0,0|2,0,0]=4 3111 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [1,1,0,0,0,0|2,0,0]=4 3114 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [1,1,0,0,0,0|2,0,0]=4 3115 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [1,1,0,0,0,0|2,0,0]=4 3116 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [1,1,0,0,0,0|2,0,0]=4 3117 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [1,1,0,0,0,0|2,0,0]=4 3118 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [1,1,0,0,0,0|2,0,0]=4 3119 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [1,1,0,0,0,0|2,0,0]=4 3120 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [1,1,0,0,0,0|2,0,0]=4 3121 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [1,1,0,0,0,0|2,0,0]=4 3122 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [1,1,0,0,0,0|2,0,0]=4 3123 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [1,1,0,0,0,0|2,0,0]=4 3124 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [1,1,0,0,0,0|2,0,0]=4 3125 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [1,1,0,0,0,0|2,0,0]=4 3129 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [1,1,0,0,0,0|2,0,0]=4 3133 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [1,1,0,0,0,0|2,0,0]=4 3143 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [1,1,0,0,0,0|2,0,0]=4 3144 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [1,1,0,0,0,0|2,0,0]=4 3145 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [1,1,0,0,0,0|2,0,0]=4 3146 B12R1.114 COc1ccc(c(c1)Br)NCF 34a_100015195136_100015361967 [1,1,0,0,0,0|1,0,1]=4 3147 B12R1.114 COc1ccc(c(c1)C)NCF 34a_100000750285_100015361967 [1,1,0,0,0,0|1,0,1]=4 3148 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [1,1,0,0,0,0|2,0,0]=4 3151 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [1,1,0,0,0,0|2,0,0]=4 3152 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [1,1,0,0,0,0|2,0,0]=4 3153 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [1,1,0,0,0,0|2,0,0]=4 3154 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [1,1,0,0,0,0|2,0,0]=4 3155 B12R1.114 COc1ccc(c(c1)Cl)NCF 34a_100000747055_100015361967 [1,1,0,0,0,0|1,0,1]=4 3156 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [1,1,0,0,0,0|2,0,0]=4 3157 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3158 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3159 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [1,1,0,0,0,0|2,0,0]=4 3160 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [1,1,0,0,0,0|2,0,0]=4 3161 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [1,1,0,0,0,0|2,0,0]=4 3162 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [1,1,0,0,0,0|2,0,0]=4 3163 B12R1.114 COc1ccc(c(c1)F)NCF 34a_100011299463_100015361967 [1,1,0,0,0,0|1,0,1]=4 3164 B12R1.114 COc1ccc(c(c1)I)NCF 34a_100000049804_100015361967 [1,1,0,0,0,0|1,0,1]=4 3165 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [1,1,0,0,0,0|2,0,0]=4 3166 B12R1.114 COc1ccc(c(c1)O)NCF 34a_100016989039_100015361967 [1,1,0,0,0,0|1,0,1]=4 3167 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [1,1,0,0,0,0|1,1,0]=4 3168 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [1,1,0,0,0,0|1,1,0]=4 3169 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [1,1,0,0,0,0|1,1,0]=4 3170 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [1,1,0,0,0,0|1,1,0]=4 3171 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [1,1,0,0,0,0|1,0,1]=4 3172 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [1,1,0,0,0,0|1,0,1]=4 3173 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [1,1,0,0,0,0|1,0,1]=4 3174 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [1,1,0,0,0,0|1,0,1]=4 3175 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [1,1,0,0,0,0|2,0,0]=4 3176 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [1,1,0,0,0,0|2,0,0]=4 3177 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [1,1,0,0,0,0|2,0,0]=4 3179 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [1,1,0,0,0,0|2,0,0]=4 3180 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [1,1,0,0,0,0|2,0,0]=4 3181 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [1,1,0,0,0,0|1,0,0]=3 3182 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [1,1,0,0,0,0|1,0,1]=4 3183 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [1,1,0,0,0,0|1,0,0]=3 3184 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [1,1,0,0,0,0|1,1,0]=4 3185 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [1,1,0,0,0,0|2,0,0]=4 3186 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [1,1,0,0,0,0|2,0,0]=4 3187 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [1,1,0,0,0,0|1,0,1]=4 3188 B12R1.116 CCCc1ccc(cc1)NCC 2230a_100000211780_100000210202 [1,1,0,0,0,0|1,0,1]=4 3189 B12R1.116 CCCc1ccc(cc1)NCC 34a_100000211780_100000210202 [1,1,0,0,0,0|1,0,1]=4 3190 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [1,1,0,0,0,0|1,0,1]=4 3191 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [1,1,0,0,0,0|1,0,1]=4 3192 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [1,1,0,0,0,0|1,0,1]=4 3193 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [1,1,0,0,0,0|1,0,1]=4 3194 B12R1.116 CCNc1ccc(cc1)CCO 2230a_100011204434_100000210202 [1,1,0,0,0,0|1,0,1]=4 3195 B12R1.116 CCNc1ccc(cc1)CCO 34a_100011204434_100000210202 [1,1,0,0,0,0|1,0,1]=4 3196 B12R1.116 CCNc1ccc(cc1)COC 34a_100000694113_100000210202 [1,1,0,0,0,0|0,0,1]=3 3197 B12R1.116 CCNc1ccc(cc1)CSC 2230a_106726388226_100000210202 [1,1,0,0,0,0|0,1,1]=4 3198 B12R1.116 CCNc1ccc(cc1)CSC 34a_106726388226_100000210202 [1,1,0,0,0,0|0,1,1]=4 3199 B12R1.116 CCNc1ccc(cc1)CSC 7a_106726388226_100000210202 [1,1,0,0,0,0|0,1,1]=4 3200 B12R1.116 CCNc1ccc(cc1)OCC 2230a_100000739623_100000210202 [1,1,0,0,0,0|0,0,1]=3 3201 B12R1.116 CCNc1ccc(cc1)OCC 34a_100000739623_100000210202 [1,1,0,0,0,0|0,0,1]=3 3202 B12R1.116 CCNc1ccc(cc1)OCC 34a_100011337800_100000210202 [1,1,0,0,0,0|0,0,1]=3 3203 B12R1.116 CCNc1ccc(cc1)OCC 7a_100011337800_100000210202 [1,1,0,0,0,0|0,0,1]=3 3204 B12R1.116 CCNc1ccc(cc1)OCF 34a_100011337800_100015361967 [1,1,0,0,0,0|0,0,1]=3 3205 B12R1.116 CCNc1ccc(cc1)OCF 7a_100011337800_100015361967 [1,1,0,0,0,0|0,0,1]=3 3206 B12R1.116 CCNc1ccc(cc1)SCC 34a_100015187087_100000210202 [1,1,0,0,0,0|0,1,1]=4 3207 B12R1.116 CCNc1ccc(cc1)SCC 62a_100000210202_100000219632 [1,1,0,0,0,0|0,1,1]=4 3208 B12R1.116 CCNc1ccc(cc1)SCF 62a_100015361967_100000219632 [1,1,0,0,0,0|0,1,1]=4 3209 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [1,1,0,0,0,0|2,0,0]=4 3210 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3211 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [1,1,0,0,0,0|2,0,0]=4 3214 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3215 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3216 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [1,1,0,0,0,0|1,0,1]=4 3217 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [1,1,0,0,0,0|1,0,1]=4 3218 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [1,1,0,0,0,0|1,0,1]=4 3219 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [1,1,0,0,0,0|1,0,1]=4 3220 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [1,1,0,0,0,0|1,0,1]=4 3221 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [1,1,0,0,0,0|1,0,1]=4 3222 B12R1.116 CCOc1ccc(cc1)NCF 34a_100000739623_100015361967 [1,1,0,0,0,0|1,0,1]=4 3223 B12R1.116 CCOc1ccc(cc1)OCC 34a_100000185467_100000210202 [1,1,0,0,0,0|1,0,1]=4 3224 B12R1.116 CCOc1ccc(cc1)OCF 34a_100000185467_100015361967 [1,1,0,0,0,0|1,0,1]=4 3225 B12R1.116 CCOc1ccc(cc1)SCC 62a_100000210202_100000171712 [1,1,0,0,0,0|1,0,1]=4 3226 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [1,1,0,0,0,0|1,1,0]=4 3227 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [1,1,0,0,0,0|1,1,0]=4 3228 B12R1.116 CCSc1ccc(cc1)COC 62a_100000210202_100011493685 [1,1,0,0,0,0|1,0,1]=4 3229 B12R1.116 CCSc1ccc(cc1)COC 62a_100011493685_100000210202 [1,1,0,0,0,0|1,0,1]=4 3230 B12R1.116 CNCc1ccc(cc1)COC 2230a_100000738208_200000210301 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.116 CNCc1ccc(cc1)COC 26a_100102657272_200011995677 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.116 CNCc1ccc(cc1)COC 34a_100000738208_200000210301 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.116 COCc1ccc(cc1)CN[13CH3] 2230a_100000738208_200025704644 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.116 COCc1ccc(cc1)CN[13CH3] 34a_100000738208_200025704644 [1,1,0,0,0,0|2,0,0]=4 3236 B12R1.116 COCc1ccc(cc1)NCF 34a_100000694113_100015361967 [1,1,0,0,0,0|1,0,1]=4 3237 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [1,1,0,0,0,0|2,0,0]=4 3238 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [1,1,0,0,0,0|2,0,0]=4 3239 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [1,1,0,0,0,0|1,1,0]=4 3240 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [1,1,0,0,0,0|1,1,0]=4 3241 B12R1.288 CC=Cc1cc(c(cn1)OC)N 271570a_100016259895_100010896307 [1,1,0,0,0,0|2,0,0]=4 3242 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [1,1,0,0,0,0|1,0,0]=3 3244 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [1,1,0,0,0,0|2,0,0]=4 3245 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,1,0,0,0,0|1,0,0]=3 3246 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [1,1,0,0,0,0|1,0,0]=3 3247 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [1,1,0,0,0,0|1,1,0]=4 3248 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [1,1,0,0,0,0|2,0,0]=4 3250 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [1,1,0,0,0,0|1,0,0]=3 3251 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [1,1,0,0,0,0|1,1,0]=4 3252 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [1,1,0,0,0,0|1,0,0]=3 3255 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,1,0,0,0,0|1,0,0]=3 3256 B12R1.288 CC=Cc1ccc(c(n1)Br)OC 271570a_100016259895_100010214827 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.288 CC=Cc1ccc(c(n1)Cl)OC 271570a_100016259895_100010233546 [1,1,0,0,0,0|2,0,0]=4 3259 B12R1.288 CC=Cc1ccc(c(n1)F)OC 271570a_100016259895_100010138636 [1,1,0,0,0,0|2,0,0]=4 3260 B12R1.288 CC=Cc1ccc(c(n1)N)OC 271570a_100016259895_100010192976 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.288 CC=Cc1cnc(c(c1)Br)OC 271570a_100016259895_200010988584 [1,1,0,0,0,0|2,0,0]=4 3262 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [1,1,0,0,0,0|2,0,0]=4 3263 B12R1.288 CC=Cc1cnc(c(c1)F)OC 271570a_100016259895_100011880707 [1,1,0,0,0,0|2,0,0]=4 3264 B12R1.288 CC=Cc1cnc(c(c1)N)OC 271570a_100016259895_100000748608 [1,1,0,0,0,0|2,0,0]=4 3265 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [1,1,0,0,0,0|2,0,0]=4 3266 B12R1.288 CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210202 [1,1,0,0,0,0|0,0,1]=3 3267 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [1,1,0,0,0,0|0,0,1]=3 3268 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [1,1,0,0,0,0|0,0,1]=3 3269 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [1,1,0,0,0,0|0,0,1]=3 3270 B12R1.288 CCNc1ccc(c(c1)C)SC 62a_100015183089_200000210301 [1,1,0,0,0,0|0,1,1]=4 3271 B12R1.288 CCNc1ccc(c(c1)C)SC 62a_200000210301_100015183089 [1,1,0,0,0,0|0,1,1]=4 3272 B12R1.288 CCNc1ccc(c(c1)C)S[13CH3] 62a_100015183089_200025704644 [1,1,0,0,0,0|0,1,1]=4 3273 B12R1.288 CCNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100015183089 [1,1,0,0,0,0|0,1,1]=4 3274 B12R1.288 CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210202 [1,1,0,0,0,0|1,0,1]=4 3275 B12R1.288 CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100000210202 [1,1,0,0,0,0|1,0,1]=4 3276 B12R1.288 CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100000210202 [1,1,0,0,0,0|1,0,1]=4 3277 B12R1.288 CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210202 [1,1,0,0,0,0|0,0,1]=3 3278 B12R1.288 CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210202 [1,1,0,0,0,0|0,0,1]=3 3279 B12R1.288 CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210202 [1,1,0,0,0,0|0,0,1]=3 3280 B12R1.288 CCNc1ccc(c(c1)F)OC 34a_100000740183_100000210202 [1,1,0,0,0,0|0,0,1]=3 3281 B12R1.288 CCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210202 [1,1,0,0,0,0|0,1,1]=4 3282 B12R1.288 CCNc1ccc(c(c1)F)SC 34a_100000762756_100000210202 [1,1,0,0,0,0|0,1,1]=4 3283 B12R1.288 CCNc1ccc(c(c1)I)OC 34a_100011356947_100000210202 [1,1,0,0,0,0|0,0,1]=3 3284 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [1,1,0,0,0,0|0,0,1]=3 3285 B12R1.288 CCNc1ccc(c(n1)F)OC 27a_100015525214_100010138636 [1,1,0,0,0,0|1,0,1]=4 3286 B12R1.288 CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210202 [1,1,0,0,0,0|1,0,1]=4 3287 B12R1.288 CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210202 [1,1,0,0,0,0|1,0,1]=4 3288 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [1,1,0,0,0,0|1,0,1]=4 3289 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [1,1,0,0,0,0|1,0,1]=4 3290 B12R1.288 CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210202 [1,1,0,0,0,0|1,0,1]=4 3291 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210202 [1,1,0,0,0,0|1,0,1]=4 3292 B12R1.288 CCOc1ccc(c(c1)F)OC 34a_100000746305_100000210202 [1,1,0,0,0,0|1,0,1]=4 3293 B12R1.288 CCOc1ccc(c(c1)F)OC 7a_100000746305_100000210202 [1,1,0,0,0,0|1,0,1]=4 3294 B12R1.288 CCOc1ccc(c(c1)I)OC 34a_100010084122_100000210202 [1,1,0,0,0,0|1,0,1]=4 3295 B12R1.288 CCOc1ccc(c(c1)I)OC 7a_100010084122_100000210202 [1,1,0,0,0,0|1,0,1]=4 3296 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100000210202_100011249507 [1,1,0,0,0,0|1,0,1]=4 3297 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210202 [1,1,0,0,0,0|1,0,1]=4 3298 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [1,1,0,0,0,0|1,0,1]=4 3299 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [1,1,0,0,0,0|1,0,1]=4 3300 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100000210202_100012355395 [1,1,0,0,0,0|1,0,1]=4 3301 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210202 [1,1,0,0,0,0|1,0,1]=4 3302 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210202 [1,1,0,0,0,0|1,0,1]=4 3303 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000210202_100000171752 [1,1,0,0,0,0|1,0,1]=4 3304 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100000210202_100011249504 [1,1,0,0,0,0|1,0,1]=4 3305 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210202 [1,1,0,0,0,0|1,0,1]=4 3306 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [1,1,0,0,0,0|1,0,1]=4 3307 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [1,1,0,0,0,0|2,0,0]=4 3310 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [1,1,0,0,0,0|2,0,0]=4 3311 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [1,1,0,0,0,0|2,0,0]=4 3317 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [1,1,0,0,0,0|2,0,0]=4 3319 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [1,1,0,0,0,0|2,0,0]=4 3320 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [1,1,0,0,0,0|2,0,0]=4 3324 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [1,1,0,0,0,0|2,0,0]=4 3325 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [1,1,0,0,0,0|2,0,0]=4 3326 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [1,1,0,0,0,0|2,0,0]=4 3327 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [1,1,0,0,0,0|2,0,0]=4 3328 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [1,1,0,0,0,0|2,0,0]=4 3329 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [1,1,0,0,0,0|2,0,0]=4 3330 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [1,1,0,0,0,0|2,0,0]=4 3331 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [1,1,0,0,0,0|2,0,0]=4 3332 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [1,1,0,0,0,0|2,0,0]=4 3333 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [1,1,0,0,0,0|2,0,0]=4 3334 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [1,1,0,0,0,0|2,0,0]=4 3335 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [1,1,0,0,0,0|2,0,0]=4 3336 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [1,1,0,0,0,0|2,0,0]=4 3337 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [1,1,0,0,0,0|2,0,0]=4 3338 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,1,0,0,0,0|2,0,0]=4 3339 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [1,1,0,0,0,0|2,0,0]=4 3340 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [1,1,0,0,0,0|2,0,0]=4 3341 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [1,1,0,0,0,0|2,0,0]=4 3342 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [1,1,0,0,0,0|2,0,0]=4 3343 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3344 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3345 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [1,1,0,0,0,0|2,0,0]=4 3346 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [1,1,0,0,0,0|2,0,0]=4 3347 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [1,1,0,0,0,0|2,0,0]=4 3348 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3349 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [1,1,0,0,0,0|2,0,0]=4 3350 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [1,1,0,0,0,0|2,0,0]=4 3351 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [1,1,0,0,0,0|2,0,0]=4 3352 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [1,1,0,0,0,0|2,0,0]=4 3353 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3354 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3355 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [1,1,0,0,0,0|2,0,0]=4 3356 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [1,1,0,0,0,0|2,0,0]=4 3357 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [1,1,0,0,0,0|2,0,0]=4 3358 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [1,1,0,0,0,0|2,0,0]=4 3359 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [1,1,0,0,0,0|2,0,0]=4 3361 B12R1.288 COc1ccc(cc1Br)NCF 34a_100000187427_100015361967 [1,1,0,0,0,0|1,0,1]=4 3362 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [1,1,0,0,0,0|2,0,0]=4 3363 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [1,1,0,0,0,0|2,0,0]=4 3364 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [1,1,0,0,0,0|2,0,0]=4 3370 B12R1.288 COc1ccc(cc1C)NCF 34a_100000743268_100015361967 [1,1,0,0,0,0|1,0,1]=4 3371 B12R1.288 COc1ccc(cc1C)NCF 7a_100000743268_100015361967 [1,1,0,0,0,0|1,0,1]=4 3372 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [1,1,0,0,0,0|2,0,0]=4 3373 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [1,1,0,0,0,0|2,0,0]=4 3374 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [1,1,0,0,0,0|2,0,0]=4 3375 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [1,1,0,0,0,0|2,0,0]=4 3376 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [1,1,0,0,0,0|2,0,0]=4 3377 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [1,1,0,0,0,0|2,0,0]=4 3378 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [1,1,0,0,0,0|2,0,0]=4 3379 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [1,1,0,0,0,0|2,0,0]=4 3380 B12R1.288 COc1ccc(cc1Cl)NCF 34a_100000211044_100015361967 [1,1,0,0,0,0|1,0,1]=4 3381 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [1,1,0,0,0,0|2,0,0]=4 3382 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [1,1,0,0,0,0|2,0,0]=4 3383 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3384 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [1,1,0,0,0,0|2,0,0]=4 3385 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [1,1,0,0,0,0|2,0,0]=4 3386 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [1,1,0,0,0,0|2,0,0]=4 3387 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [1,1,0,0,0,0|2,0,0]=4 3388 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [1,1,0,0,0,0|2,0,0]=4 3389 B12R1.288 COc1ccc(cc1F)NCF 34a_100000740183_100015361967 [1,1,0,0,0,0|1,0,1]=4 3390 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [1,1,0,0,0,0|2,0,0]=4 3391 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [1,1,0,0,0,0|2,0,0]=4 3392 B12R1.288 COc1ccc(cc1I)NCF 34a_100011356947_100015361967 [1,1,0,0,0,0|1,0,1]=4 3393 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3394 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,1,0,0,0,0|2,0,0]=4 3395 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [1,1,0,0,0,0|1,0,1]=4 3396 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [0,1,0,0,1,0|1,0,1]=4 3397 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [0,1,0,0,1,0|1,0,1]=4 3398 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [0,1,0,0,1,0|0,0,2]=4 3399 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [0,1,0,0,1,0|0,0,2]=4 3400 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_200000210301 [0,1,0,0,1,0|2,0,0]=4 3401 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_200000210301 [0,1,0,0,1,0|2,0,0]=4 3402 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [0,1,0,0,1,0|1,0,1]=4 3403 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [0,1,0,0,1,0|1,0,1]=4 3404 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [0,1,0,0,1,0|0,0,2]=4 3405 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [0,1,0,0,1,0|0,0,2]=4 3406 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [0,1,0,0,1,0|1,0,0]=3 3407 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [0,1,0,0,1,0|1,0,0]=3 3408 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200000210301 [0,1,0,0,1,0|2,0,0]=4 3409 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200000210301 [0,1,0,0,1,0|2,0,0]=4 3410 B12R1.6 COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200000210301 [0,1,0,0,1,0|2,0,0]=4 3411 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000195502_200025704644 [0,1,0,0,1,0|2,0,0]=4 3412 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000195502_200025704644 [0,1,0,0,1,0|2,0,0]=4 3413 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [0,1,0,0,1,0|1,0,0]=3 3414 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [0,1,0,0,1,0|1,0,0]=3 3415 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765142_200025704644 [0,1,0,0,1,0|1,1,0]=4 3416 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765142 [0,1,0,0,1,0|1,1,0]=4 3417 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_200000210301 [0,1,0,0,1,0|1,1,0]=4 3418 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000765142 [0,1,0,0,1,0|1,1,0]=4 3419 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200025704644 [0,1,0,0,1,0|2,0,0]=4 3420 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200025704644 [0,1,0,0,1,0|2,0,0]=4 3421 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200025704644 [0,1,0,0,1,0|2,0,0]=4 3422 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,1,0,0,1,0|1,0,1]=4 3423 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,1,0,0,1,0|1,0,1]=4 3424 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,1,0,0,1,0|1,0,1]=4 3425 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,1,0,0,1,0|1,0,1]=4 3426 B12R1.48 C=C(C)c1cc(c(cn1)OC)N 271570a_100000694244_100010896307 [0,1,0,0,1,0|2,0,0]=4 3427 B12R1.48 C=C(C)c1cc(c(cn1)OC)O 271570a_100000694244_100010264082 [0,1,0,0,1,0|2,0,0]=4 3428 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,1,0,0,1,0|1,0,0]=3 3429 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [0,1,0,0,1,0|2,0,0]=4 3430 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,1,0,0,1,0|1,0,0]=3 3431 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,1,0,0,1,0|1,0,0]=3 3432 B12R1.48 C=C(C)c1ccc(c(c1)Cl)SC 271570a_100000694244_206447510565 [0,1,0,0,1,0|1,1,0]=4 3433 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [0,1,0,0,1,0|2,0,0]=4 3434 B12R1.48 C=C(C)c1ccc(c(c1)F)NC 271570a_100000694244_100000743884 [0,1,0,0,1,0|2,0,0]=4 3435 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,1,0,0,1,0|1,0,0]=3 3436 B12R1.48 C=C(C)c1ccc(c(c1)F)SC 271570a_100000694244_100010161220 [0,1,0,0,1,0|1,1,0]=4 3437 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [0,1,0,0,1,0|2,0,0]=4 3438 B12R1.48 C=C(C)c1ccc(c(c1)N)NC 271570a_100000694244_100000741790 [0,1,0,0,1,0|2,0,0]=4 3439 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,1,0,0,1,0|1,0,0]=3 3440 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,0,0,1,0|1,0,0]=3 3441 B12R1.48 C=C(C)c1ccc(c(n1)Br)OC 271570a_100000694244_100010214827 [0,1,0,0,1,0|2,0,0]=4 3442 B12R1.48 C=C(C)c1ccc(c(n1)C)OC 271570a_100000694244_100010244750 [0,1,0,0,1,0|2,0,0]=4 3443 B12R1.48 C=C(C)c1ccc(c(n1)Cl)OC 271570a_100000694244_100010233546 [0,1,0,0,1,0|2,0,0]=4 3444 B12R1.48 C=C(C)c1ccc(c(n1)F)OC 271570a_100000694244_100010138636 [0,1,0,0,1,0|2,0,0]=4 3445 B12R1.48 C=C(C)c1ccc(c(n1)N)OC 271570a_100000694244_100010192976 [0,1,0,0,1,0|2,0,0]=4 3446 B12R1.48 C=C(C)c1cnc(c(c1)Br)OC 271570a_100000694244_200010988584 [0,1,0,0,1,0|2,0,0]=4 3447 B12R1.48 C=C(C)c1cnc(c(c1)C)OC 271570a_100000694244_100011290809 [0,1,0,0,1,0|2,0,0]=4 3448 B12R1.48 C=C(C)c1cnc(c(c1)F)OC 271570a_100000694244_100011880707 [0,1,0,0,1,0|2,0,0]=4 3449 B12R1.48 C=C(C)c1cnc(c(c1)N)OC 271570a_100000694244_100000748608 [0,1,0,0,1,0|2,0,0]=4 3450 B12R1.48 C=C(C)c1cnc(c(c1)O)OC 271570a_100000694244_100010135713 [0,1,0,0,1,0|2,0,0]=4 3451 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,1,0,0,1,0|1,0,1]=4 3452 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,1,0,0,1,0|1,0,1]=4 3453 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,1,0,0,1,0|1,0,1]=4 3454 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,1,0,0,1,0|1,0,1]=4 3455 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [0,1,0,0,1,0|1,1,0]=4 3456 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [0,1,0,0,1,0|1,1,0]=4 3457 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,1,0,0,1,0|2,0,0]=4 3458 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,1,0|0,0,0]=2 3459 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,1,0|0,0,0]=2 3460 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,1,0,0,1,0|0,1,0]=3 3461 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,1,0,0,1,0|0,1,0]=3 3462 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,1,0,0,1,0|2,0,0]=4 3463 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,1,0|0,0,0]=2 3464 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,1,0|0,0,0]=2 3465 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,1,0,0,1,0|0,1,0]=3 3466 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,1,0,0,1,0|0,1,0]=3 3467 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,1,0,0,1,0|2,0,0]=4 3468 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,1,0|0,0,0]=2 3469 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,1,0|0,0,0]=2 3470 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,1,0,0,1,0|2,0,0]=4 3471 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,1,0|2,0,0]=4 3472 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,1,0|0,0,0]=2 3473 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,1,0|0,0,0]=2 3474 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,1,0,0,1,0|0,1,0]=3 3475 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,1,0,0,1,0|0,1,0]=3 3476 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,1,0|0,0,0]=2 3477 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,1,0|0,0,0]=2 3478 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,1,0,0,1,0|0,1,0]=3 3479 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [0,1,0,0,1,0|1,1,0]=4 3480 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [0,1,0,0,1,0|1,1,0]=4 3481 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100012182850_200025704644 [0,1,0,0,1,0|1,0,1]=4 3482 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100012182850_200025704644 [0,1,0,0,1,0|1,0,1]=4 3483 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 34a_200000187366_200025704644 [0,1,0,0,1,0|1,0,1]=4 3484 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 7a_200000187366_200025704644 [0,1,0,0,1,0|1,0,1]=4 3485 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,0,0,1,0|1,0,0]=3 3486 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,0,0,1,0|1,0,0]=3 3487 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,1,0|1,0,0]=3 3488 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,1,0|1,0,0]=3 3489 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,1,0,0,1,0|2,0,0]=4 3490 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,1,0,0,1,0|2,0,0]=4 3491 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,1,0,0,1,0|2,0,0]=4 3492 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,1,0,0,1,0|2,0,0]=4 3493 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,1,0,0,1,0|2,0,0]=4 3494 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [0,1,0,0,1,0|2,0,0]=4 3495 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,1,0|0,0,0]=2 3496 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,1,0|0,0,0]=2 3497 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,1,0|0,0,0]=2 3498 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,1,0|0,0,0]=2 3499 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,1,0,0,1,0|2,0,0]=4 3500 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,1,0,0,1,0|2,0,0]=4 3501 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,1,0|0,0,0]=2 3502 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,1,0|0,0,0]=2 3503 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,1,0|0,0,0]=2 3504 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,1,0|0,0,0]=2 3505 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [0,1,0,0,1,0|1,0,1]=4 3506 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [0,1,0,0,1,0|1,0,1]=4 3507 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,1,0,0,1,0|2,0,0]=4 3508 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,1,0,0,1,0|2,0,0]=4 3509 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,1,0|0,0,0]=2 3510 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,1,0|0,0,0]=2 3511 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,1,0|0,0,0]=2 3512 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,1,0|1,0,0]=3 3513 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,1,0|1,0,0]=3 3514 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,1,0|0,0,0]=2 3515 B12R1.48 COc1ccc(cc1Cl)C(C)C 34a_100012182850_200000210301 [0,1,0,0,1,0|1,0,1]=4 3516 B12R1.48 COc1ccc(cc1Cl)C(C)C 7a_100012182850_200000210301 [0,1,0,0,1,0|1,0,1]=4 3517 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,1,0,0,1,0|2,0,0]=4 3518 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,1,0,0,1,0|2,0,0]=4 3519 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,1,0|0,0,0]=2 3520 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,1,0|0,0,0]=2 3521 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,1,0|0,0,0]=2 3522 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,1,0|0,0,0]=2 3523 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,1,0,0,1,0|2,0,0]=4 3524 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,1,0,0,1,0|2,0,0]=4 3525 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,1,0|0,0,0]=2 3526 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,1,0|0,0,0]=2 3527 B12R1.48 COc1ccc(cc1I)N(C)C 269982a_114948341033_200000210301 [0,1,0,0,1,0|2,0,0]=4 3528 B12R1.48 COc1ccc(cc1I)N(C)C 34a_114948341033_200000210301 [0,1,0,0,1,0|2,0,0]=4 3529 B12R1.48 COc1ccc(cc1I)N(C)C 38a_114948341033_200000210301 [0,1,0,0,1,0|2,0,0]=4 3530 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 269982a_114948341033_200025704644 [0,1,0,0,1,0|2,0,0]=4 3531 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 34a_114948341033_200025704644 [0,1,0,0,1,0|2,0,0]=4 3532 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 38a_114948341033_200025704644 [0,1,0,0,1,0|2,0,0]=4 3533 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,1,0,0,1,0|2,0,0]=4 3534 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,1,0,0,1,0|2,0,0]=4 3535 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,1,0|0,0,0]=2 3536 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,1,0|0,0,0]=2 3537 B12R1.48 COc1ccc(cc1N)C(C)C 34a_200000187366_200000210301 [0,1,0,0,1,0|1,0,1]=4 3538 B12R1.48 COc1ccc(cc1N)C(C)C 7a_200000187366_200000210301 [0,1,0,0,1,0|1,0,1]=4 3539 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,1,0,0,1,0|2,0,0]=4 3540 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,1,0|2,0,0]=4 3541 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,1,0|0,0,0]=2 3542 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,1,0|0,0,0]=2 3543 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,1,0|0,0,0]=2 3544 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,1,0|0,0,2]=4 3545 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,1,0,0,1,0|0,1,0]=3 3546 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,1,0,0,1,0|0,1,0]=3 3547 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,1,0,0,1,0|1,1,0]=4 3548 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,1,0,0,1,0|1,1,0]=4 3549 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,1,0,0,1,0|0,1,0]=3 3550 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,1,0,0,1,0|0,1,0]=3 3551 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,1,0,0,1,0|1,1,0]=4 3552 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,1,0,0,1,0|1,1,0]=4 3553 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,1,0,0,1,0|0,1,0]=3 3554 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,1,0,0,1,0|0,1,0]=3 3555 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,1,0,0,1,0|1,1,0]=4 3556 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,1,0,0,1,0|1,1,0]=4 3557 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,1,0,0,1,0|0,1,0]=3 3558 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,1,0|1,1,0]=4 3559 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,1,0|1,1,0]=4 3560 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [0,1,0,0,1,0|1,1,0]=4 3561 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [0,1,0,0,1,0|1,1,0]=4 3562 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [0,1,0,0,1,0|1,1,0]=4 3563 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [0,1,0,0,1,0|1,1,0]=4 3564 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,1,0,0,1,0|2,0,0]=4 3565 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,1,0,0,1,0|2,0,0]=4 3566 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,1,0,0,1,0|2,0,0]=4 3567 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [0,1,0,0,1,0|1,0,1]=4 3568 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [0,1,0,0,1,0|1,0,1]=4 3569 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,1,0,0,1,0|2,0,0]=4 3570 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,1,0,0,1,0|2,0,0]=4 3571 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,1,0,0,1,0|1,1,0]=4 3572 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,1,0,0,1,0|1,1,0]=4 3573 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,1,0,0,1,0|2,0,0]=4 3574 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,1,0,0,1,0|2,0,0]=4 3575 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,1,0,0,1,0|2,0,0]=4 3576 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,1,0|2,0,0]=4 3577 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,1,0,0,1,0|2,0,0]=4 3578 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,1,0,0,1,0|2,0,0]=4 3579 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,1,0|1,0,0]=3 3580 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,1,0|1,0,0]=3 3581 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,1,0,0,1,0|2,0,0]=4 3582 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,1,0,0,1,0|2,0,0]=4 3583 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,1,0,0,1,0|2,0,0]=4 3584 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,1,0,0,1,0|2,0,0]=4 3585 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,1,0,0,1,0|2,0,0]=4 3586 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,1,0,0,1,0|2,0,0]=4 3587 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,1,0,0,1,0|2,0,0]=4 3588 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,1,0|2,0,0]=4 3589 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,1,0,0,1,0|1,1,0]=4 3590 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,1,0,0,1,0|1,1,0]=4 3591 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,1,0,0,1,0|1,1,0]=4 3592 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,1,0,0,1,0|1,1,0]=4 3593 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,1,0|1,1,0]=4 3594 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,1,0|1,1,0]=4 3595 B12R1.256 C=C(C)c1ccc(cc1)C(=C)C 271570a_100000694244_100000185454 [0,1,0,0,1,0|2,0,0]=4 3596 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,1,0,0,1,0|1,0,0]=3 3597 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,1,0,0,1,0|1,0,0]=3 3598 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,1,0,0,1,0|2,0,0]=4 3599 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,1,0,0,1,0|1,0,0]=3 3600 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [0,1,0,0,1,0|2,0,0]=4 3601 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,1,0,0,1,0|2,0,0]=4 3602 B12R1.256 C=C(C)c1ccc(cc1)N(C)C 271570a_100000694244_100000210421 [0,1,0,0,1,0|2,0,0]=4 3603 B12R1.256 C=C(C)c1ccc(cc1)S(=O)C 271570a_100000694244_100009816266 [0,1,0,0,1,0|1,1,0]=4 3604 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [0,1,0,0,1,0|2,0,0]=4 3605 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [0,1,0,0,1,0|2,0,0]=4 3606 B12R1.256 C=C(C)c1ccc(cn1)C(=O)C 271570a_100000694244_100000684857 [0,1,0,0,1,0|2,0,0]=4 3607 B12R1.256 C=C(C)c1ccc(nc1)C(=O)C 271570a_100000694244_100000686046 [0,1,0,0,1,0|2,0,0]=4 3608 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,1,0,0,1,0|2,0,0]=4 3609 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,1,0,0,1,0|1,0,0]=3 3610 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,1,0,0,1,0|1,0,0]=3 3611 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,1,0,0,1,0|2,0,0]=4 3612 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,1,0,0,1,0|1,0,0]=3 3613 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,1,0,0,1,0|0,1,0]=3 3614 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,1,0,0,1,0|2,0,0]=4 3615 B12R1.256 CC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000690552 [0,1,0,0,1,0|2,0,0]=4 3616 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,1,0,0,1,0|1,0,0]=3 3617 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,1,0,0,1,0|1,0,0]=3 3618 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,1,0,0,1,0|2,0,0]=4 3619 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,1,0,0,1,0|1,0,0]=3 3620 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,1,0,0,1,0|0,1,0]=3 3621 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,1,0,0,1,0|2,0,0]=4 3622 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,1,0,0,1,0|2,0,0]=4 3623 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,1,0,0,1,0|2,0,0]=4 3624 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,1,0,0,1,0|1,0,1]=4 3625 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,1,0,0,1,0|1,0,1]=4 3626 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [0,1,0,0,1,0|2,0,0]=4 3627 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [0,1,0,0,1,0|1,0,0]=3 3628 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,1,0,0,1,0|2,0,0]=4 3629 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,1,0,0,1,0|1,0,0]=3 3630 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [0,1,0,0,1,0|2,0,0]=4 3631 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [0,1,0,0,1,0|2,0,0]=4 3632 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [0,1,0,0,1,0|1,0,0]=3 3633 B12R1.452 C=C(C)c1ccc(cc1F)SC 271570a_100000694244_100009816902 [0,1,0,0,1,0|1,1,0]=4 3634 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [0,1,0,0,1,0|1,0,0]=3 3635 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,1,0,0,1,0|1,0,0]=3 3636 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,1,0,0,1,0|2,0,0]=4 3637 B12R1.452 C=C(C)c1ccc(nc1F)OC 271570a_100000694244_100010067559 [0,1,0,0,1,0|2,0,0]=4 3638 B12R1.452 C=C(C)c1ccc(nc1N)OC 271570a_100000694244_100010187629 [0,1,0,0,1,0|2,0,0]=4 3639 B12R1.452 C=C(C)c1cnc(cc1C)OC 271570a_100000694244_100011934368 [0,1,0,0,1,0|2,0,0]=4 3640 B12R1.452 C=C(C)c1cnc(cc1F)OC 271570a_100000694244_100010136277 [0,1,0,0,1,0|2,0,0]=4 3641 B12R1.452 C=C(C)c1cnc(cc1N)OC 271570a_100000694244_100010254562 [0,1,0,0,1,0|2,0,0]=4 3642 B12R1.452 C=C(C)c1cnc(cc1O)OC 271570a_100000694244_100010738159 [0,1,0,0,1,0|2,0,0]=4 3643 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [0,1,0,0,1,0|2,0,0]=4 3644 B12R1.452 C=C(C)c1ncc(cc1N)OC 271570a_100000694244_100010074831 [0,1,0,0,1,0|2,0,0]=4 3645 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,1,0|1,0,1]=4 3646 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,1,0,0,1,0|1,0,1]=4 3647 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,1,0,0,1,0|1,0,1]=4 3648 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,0,0,1,0|1,0,1]=4 3649 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,1,0,0,1,0|2,0,0]=4 3650 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,1,0|0,0,0]=2 3651 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,1,0|0,0,0]=2 3652 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,1,0|2,0,0]=4 3653 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,1,0|0,0,0]=2 3654 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,1,0|0,0,0]=2 3655 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,1,0|0,1,0]=3 3656 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,1,0|0,1,0]=3 3657 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,1,0,0,1,0|2,0,0]=4 3658 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,1,0|2,0,0]=4 3659 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,1,0|0,0,0]=2 3660 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,1,0|0,0,0]=2 3661 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,1,0,0,1,0|2,0,0]=4 3662 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,1,0|2,0,0]=4 3663 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,1,0|0,0,0]=2 3664 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,1,0|0,0,0]=2 3665 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,1,0|0,1,0]=3 3666 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,1,0|0,1,0]=3 3667 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [0,1,0,0,1,0|1,1,0]=4 3668 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [0,1,0,0,1,0|1,1,0]=4 3669 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,1,0|1,0,0]=3 3670 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,1,0|1,0,0]=3 3671 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,1,0,0,1,0|2,0,0]=4 3672 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,1,0|2,0,0]=4 3673 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,1,0|2,0,0]=4 3674 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,1,0|2,0,0]=4 3675 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,1,0,0,1,0|2,0,0]=4 3676 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,1,0,0,1,0|2,0,0]=4 3677 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,1,0|1,0,0]=3 3678 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,1,0,0,1,0|2,0,0]=4 3679 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,1,0,0,1,0|2,0,0]=4 3680 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,1,0,0,1,0|2,0,0]=4 3681 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,1,0,0,1,0|2,0,0]=4 3682 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,1,0,0,1,0|2,0,0]=4 3683 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,1,0|0,0,0]=2 3684 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,1,0|0,0,0]=2 3685 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,1,0|0,0,0]=2 3686 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,1,0|0,0,0]=2 3687 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [0,1,0,0,1,0|2,0,0]=4 3688 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [0,1,0,0,1,0|2,0,0]=4 3689 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,1,0|0,0,0]=2 3690 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,1,0|0,0,0]=2 3691 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,1,0|0,0,0]=2 3692 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,1,0|0,0,0]=2 3693 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,1,0,0,1,0|1,0,1]=4 3694 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,1,0,0,1,0|1,0,1]=4 3695 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [0,1,0,0,1,0|2,0,0]=4 3696 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [0,1,0,0,1,0|2,0,0]=4 3697 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [0,1,0,0,1,0|2,0,0]=4 3698 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [0,1,0,0,1,0|2,0,0]=4 3699 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [0,1,0,0,1,0|2,0,0]=4 3700 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [0,1,0,0,1,0|2,0,0]=4 3701 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [0,1,0,0,1,0|2,0,0]=4 3702 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [0,1,0,0,1,0|2,0,0]=4 3703 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,1,0,0,1,0|2,0,0]=4 3704 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,1,0,0,1,0|2,0,0]=4 3705 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,1,0|0,0,0]=2 3706 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,1,0|0,0,0]=2 3707 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,1,0|0,0,0]=2 3708 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,1,0,0,1,0|1,0,0]=3 3709 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,1,0,0,1,0|1,0,0]=3 3710 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,1,0|0,0,0]=2 3711 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [0,1,0,0,1,0|2,0,0]=4 3712 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [0,1,0,0,1,0|2,0,0]=4 3713 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,1,0|0,0,0]=2 3714 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,1,0|0,0,0]=2 3715 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,1,0|0,0,0]=2 3716 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,1,0,0,1,0|1,0,0]=3 3717 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,1,0,0,1,0|1,0,0]=3 3718 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,1,0|0,0,0]=2 3719 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [0,1,0,0,1,0|2,0,0]=4 3720 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,1,0|0,0,0]=2 3721 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,1,0|0,0,0]=2 3722 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [0,1,0,0,1,0|2,0,0]=4 3723 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,1,0,0,1,0|1,0,0]=3 3724 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,1,0,0,1,0|1,0,0]=3 3725 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [0,1,0,0,1,0|2,0,0]=4 3726 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,1,0|0,0,0]=2 3727 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,1,0|0,0,0]=2 3728 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,1,0,0,1,0|1,0,0]=3 3729 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,1,0|0,0,0]=2 3730 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,1,0,0,1,0|0,0,2]=4 3731 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,1,0,0,1,0|1,1,0]=4 3732 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,1,0|0,1,0]=3 3733 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,1,0|0,1,0]=3 3734 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,1,0|0,1,0]=3 3735 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,1,0|1,1,0]=4 3736 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,1,0|1,1,0]=4 3737 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,1,0|0,1,0]=3 3738 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,1,0|0,1,0]=3 3739 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,1,0,0,1,0|1,1,0]=4 3740 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,1,0|0,1,0]=3 3741 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,1,0,0,1,0|1,1,0]=4 3742 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,1,0,0,1,0|1,1,0]=4 3743 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [0,1,0,0,1,0|1,1,0]=4 3744 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [0,1,0,0,1,0|1,1,0]=4 3745 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,1,0|2,0,0]=4 3746 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,1,0|2,0,0]=4 3747 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,1,0|1,1,0]=4 3748 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,1,0|1,1,0]=4 3749 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,1,0|2,0,0]=4 3750 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,1,0,0,1,0|1,0,1]=4 3751 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,1,0,0,1,0|1,0,1]=4 3752 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,1,0,0,1,0|2,0,0]=4 3753 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,1,0,0,1,0|2,0,0]=4 3754 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,1,0,0,1,0|2,0,0]=4 3755 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,1,0,0,1,0|2,0,0]=4 3756 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,1,0|2,0,0]=4 3757 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,1,0,0,1,0|2,0,0]=4 3758 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,1,0|2,0,0]=4 3759 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,1,0,0,1,0|2,0,0]=4 3760 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,1,0,0,1,0|2,0,0]=4 3761 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,1,0,0,1,0|2,0,0]=4 3762 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,1,0,0,1,0|2,0,0]=4 3763 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,1,0,0,1,0|2,0,0]=4 3764 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,1,0,0,1,0|2,0,0]=4 3765 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [0,1,0,0,1,0|2,0,0]=4 3766 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [0,1,0,0,1,0|2,0,0]=4 3767 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,1,0,0,1,0|1,0,0]=3 3768 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,1,0,0,1,0|1,0,0]=3 3769 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [0,1,0,0,1,0|2,0,0]=4 3770 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [0,1,0,0,1,0|2,0,0]=4 3771 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,1,0,0,1,0|1,0,0]=3 3772 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,1,0,0,1,0|1,0,0]=3 3773 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [0,1,0,0,1,0|2,0,0]=4 3774 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [0,1,0,0,1,0|2,0,0]=4 3775 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,1,0,0,1,0|1,0,0]=3 3776 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,1,0,0,1,0|1,0,0]=3 3777 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [0,1,0,0,1,0|2,0,0]=4 3778 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,1,0,0,1,0|1,1,0]=4 3779 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,1,0,0,1,0|1,1,0]=4 3780 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,1,0,0,1,0|1,1,0]=4 3781 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,1,0,0,1,0|1,1,0]=4 3782 B12R1.182 CC(=O)Nc1ccc(s1)SCF 62a_100015361967_100010002808 [0,1,0,0,1,0|1,1,0]=4 3783 B12R1.182 CC=Cc1ccc(s1)NC(=O)C 271570a_100016259895_100010002808 [0,1,0,0,1,0|2,0,0]=4 3784 B12R1.182 CCSc1ccc(s1)NC(=O)C 62a_100000210202_100010002808 [0,1,0,0,1,0|1,1,0]=4 3785 B12R1.389 C=C(C)c1ccc(s1)NC(=O)C 271570a_100000694244_100010002808 [0,1,0,0,1,0|2,0,0]=4 3786 B14R1.2 C=C(C)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100000748629 [0,1,0,0,0,1|2,0,0]=4 3787 B14R1.2 C=C(C)CN(C)c1ccc(cc1)OC 2230a_100000220023_100000748629 [0,1,0,0,0,1|1,0,0]=3 3788 B14R1.2 C=C(C)CN(C)c1ccc(cc1)OC 269982a_100000220023_100000748629 [0,1,0,0,0,1|1,0,0]=3 3789 B14R1.2 C=C(C)CN(C)c1ccc(cc1)OC 34a_100000220023_100000748629 [0,1,0,0,0,1|1,0,0]=3 3790 B14R1.2 C=C(F)CN(C)c1ccc(cc1)OC 2230a_100000220023_100009893438 [0,1,0,0,0,1|1,0,1]=4 3791 B14R1.2 C=C(F)CN(C)c1ccc(cc1)OC 269982a_100000220023_100009893438 [0,1,0,0,0,1|1,0,1]=4 3792 B14R1.2 C=C(F)CN(C)c1ccc(cc1)OC 34a_100000220023_100009893438 [0,1,0,0,0,1|1,0,1]=4 3793 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 11a_200012023546_100015343762 [0,1,0,0,0,1|1,0,1]=4 3794 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 1626a_200012023546_100015343762 [0,1,0,0,0,1|1,0,1]=4 3795 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 240690a_200012023546_100015343762 [0,1,0,0,0,1|1,0,1]=4 3796 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 271570a_100011290941_100000153805 [0,1,0,0,0,1|1,0,1]=4 3797 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 527a_200012023546_100103153847 [0,1,0,0,0,1|1,0,1]=4 3798 B14R1.2 CC(=O)CC(=O)c1ccc(cc1)S[13CH3] 62a_100000184285_200025704644 [0,1,0,0,0,1|1,1,0]=4 3799 B14R1.2 CC(=O)NC(C)c1ccc(cc1)S[13CH3] 62a_100000153805_200025704644 [0,1,0,0,0,1|0,1,0]=3 3800 B14R1.2 CC(=O)NC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000153805 [0,1,0,0,0,1|0,1,0]=3 3801 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 11a_100016991473_100015343762 [0,1,0,0,0,1|2,0,0]=4 3802 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 1626a_100016991473_100015343762 [0,1,0,0,0,1|2,0,0]=4 3803 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 240690a_100016991473_100015343762 [0,1,0,0,0,1|2,0,0]=4 3804 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 527a_100016991473_100103153847 [0,1,0,0,0,1|2,0,0]=4 3805 B14R1.2 CC(C)NC(=O)c1ccc(cc1)O[13CH3] 34a_100000191456_200025704644 [0,1,0,0,0,1|1,0,1]=4 3806 B14R1.2 CC(C)NC(=O)c1ccc(cc1)O[13CH3] 7a_100000191456_200025704644 [0,1,0,0,0,1|1,0,1]=4 3807 B14R1.2 CCc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000689809 [0,1,0,0,0,1|2,0,0]=4 3808 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 11a_100015186439_100015343762 [0,1,0,0,0,1|1,0,0]=3 3809 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 1626a_100015186439_100015343762 [0,1,0,0,0,1|1,0,0]=3 3810 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 240690a_100015186439_100015343762 [0,1,0,0,0,1|1,0,0]=3 3811 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 527a_100015186439_100103153847 [0,1,0,0,0,1|1,0,0]=3 3812 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000212054 [0,1,0,0,0,1|1,0,0]=3 3813 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)N 1458a_100000184203_100000187820 [0,1,0,0,0,1|2,0,0]=4 3814 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000184203_100020667443 [0,1,0,0,0,1|2,0,0]=4 3815 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 11a_100138425928_100000184203 [0,1,0,0,0,1|1,0,1]=4 3816 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 1626a_100138425928_100000184203 [0,1,0,0,0,1|1,0,1]=4 3817 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 240690a_100138425928_100000184203 [0,1,0,0,0,1|1,0,1]=4 3818 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 34a_100000191456_200000210301 [0,1,0,0,0,1|1,0,1]=4 3819 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 527a_100138425928_100000184203 [0,1,0,0,0,1|1,0,1]=4 3820 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C 7a_100000191456_200000210301 [0,1,0,0,0,1|1,0,1]=4 3821 B14R1.2 COc1ccc(cc1)N(C)CC(=O)N 2230a_100000220023_100000747473 [0,1,0,0,0,1|1,0,0]=3 3822 B14R1.2 COc1ccc(cc1)N(C)CC(=O)N 269982a_100000220023_100000187820 [0,1,0,0,0,1|1,0,0]=3 3823 B14R1.2 COc1ccc(cc1)N(C)CC(=O)N 34a_100000220023_100000187820 [0,1,0,0,0,1|1,0,0]=3 3824 B14R1.2 COc1ccc(cc1)N(C)CC(=O)O 269956a_200011202415_200000210301 [0,1,0,0,0,1|1,0,0]=3 3825 B14R1.2 COc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000220023_100020667443 [0,1,0,0,0,1|1,0,0]=3 3826 B14R1.2 COc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000220023_100020667443 [0,1,0,0,0,1|1,0,0]=3 3827 B14R1.2 COc1ccc(cc1)N(C)CC(C)C 2230a_100000220023_100000210760 [0,1,0,0,0,1|1,0,1]=4 3828 B14R1.2 COc1ccc(cc1)N(C)CC(C)C 2230a_100015205907_200000210301 [0,1,0,0,0,1|1,0,1]=4 3829 B14R1.2 COc1ccc(cc1)N(C)CC(C)C 269982a_100000220023_100000210624 [0,1,0,0,0,1|1,0,1]=4 3830 B14R1.2 COc1ccc(cc1)N(C)CC(C)C 269982a_100015205907_200000210301 [0,1,0,0,0,1|1,0,1]=4 3831 B14R1.2 COc1ccc(cc1)N(C)CC(C)C 34a_100000220023_100000210624 [0,1,0,0,0,1|1,0,1]=4 3832 B14R1.2 COc1ccc(cc1)N(C)CC(C)C 34a_100015205907_200000210301 [0,1,0,0,0,1|1,0,1]=4 3833 B14R1.2 COc1ccc(cc1)N(C)CC(C)O 2230a_100000220023_100011218427 [0,1,0,0,0,1|0,0,2]=4 3834 B14R1.2 COc1ccc(cc1)N(C)CC(C)O 269982a_100000220023_100011218427 [0,1,0,0,0,1|0,0,2]=4 3835 B14R1.2 COc1ccc(cc1)N(C)CC(C)O 34a_100000220023_100011218427 [0,1,0,0,0,1|0,0,2]=4 3836 B14R1.2 COc1ccc(cc1)N(C)C[C@@H](C)O 2230a_100000220023_100009817552 [0,1,0,0,0,1|0,0,2]=4 3837 B14R1.2 COc1ccc(cc1)N(C)C[C@@H](C)O 269982a_100000220023_100009817552 [0,1,0,0,0,1|0,0,2]=4 3838 B14R1.2 COc1ccc(cc1)N(C)C[C@@H](C)O 34a_100000220023_100009817552 [0,1,0,0,0,1|0,0,2]=4 3839 B14R1.2 COc1ccc(cc1)N(C)C[N+](=O)[O-] 269982a_100000220023_100000761209 [0,1,0,0,0,1|2,0,0]=4 3840 B14R1.2 COc1ccc(cc1)N(C)C[N+](=O)[O-] 34a_100000220023_100000761209 [0,1,0,0,0,1|2,0,0]=4 3841 B14R1.2 COc1ccc(cc1)N([13CH3])CC(=O)O 269956a_200011202415_200025704644 [0,1,0,0,0,1|1,0,0]=3 3842 B14R1.2 COc1ccc(cc1)N([13CH3])CC(C)C 2230a_100015205907_200025704644 [0,1,0,0,0,1|1,0,1]=4 3843 B14R1.2 COc1ccc(cc1)N([13CH3])CC(C)C 269982a_100015205907_200025704644 [0,1,0,0,0,1|1,0,1]=4 3844 B14R1.2 COc1ccc(cc1)N([13CH3])CC(C)C 34a_100015205907_200025704644 [0,1,0,0,0,1|1,0,1]=4 3845 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 11a_100011830352_100015343762 [0,1,0,0,0,1|0,0,0]=2 3846 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 1626a_100011830352_100015343762 [0,1,0,0,0,1|0,0,0]=2 3847 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 240690a_100011830352_100015343762 [0,1,0,0,0,1|0,0,0]=2 3848 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 527a_100011830352_100103153847 [0,1,0,0,0,1|0,0,0]=2 3849 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100011830352_100000210206 [0,1,0,0,0,1|1,0,1]=4 3850 B14R1.2 CSc1ccc(cc1)C(=O)CC(=O)C 62a_100000184285_200000210301 [0,1,0,0,0,1|1,1,0]=4 3851 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 11a_100000738722_100015343762 [0,1,0,0,0,1|0,1,0]=3 3852 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 240690a_100000738722_100015343762 [0,1,0,0,0,1|0,1,0]=3 3853 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 527a_100000738722_100103153847 [0,1,0,0,0,1|0,1,0]=3 3854 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 62a_100000153805_200000210301 [0,1,0,0,0,1|0,1,0]=3 3855 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 62a_200000210301_100000153805 [0,1,0,0,0,1|0,1,0]=3 3856 B14R1.3 C=C(Br)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100009813364 [0,1,0,0,0,1|1,0,1]=4 3857 B14R1.3 C=C(Br)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100009813364 [0,1,0,0,0,1|1,0,1]=4 3858 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)CC 11a_100000211069_100000185857 [0,1,0,0,0,1|2,0,0]=4 3859 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185857 [0,1,0,0,0,1|2,0,0]=4 3860 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185857 [0,1,0,0,0,1|2,0,0]=4 3861 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000185857 [0,1,0,0,0,1|1,0,0]=3 3862 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185857 [0,1,0,0,0,1|1,0,0]=3 3863 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185857 [0,1,0,0,0,1|1,0,0]=3 3864 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 34a_200000065598_200000210301 [0,1,0,0,0,1|1,0,0]=3 3865 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)O[13CH3] 34a_200000065598_200025704644 [0,1,0,0,0,1|1,0,0]=3 3866 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)SC 11a_100000212337_100000185857 [0,1,0,0,0,1|1,1,0]=4 3867 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185857 [0,1,0,0,0,1|1,1,0]=4 3868 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000039160 [0,1,0,0,0,1|1,0,1]=4 3869 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000039160 [0,1,0,0,0,1|1,0,1]=4 3870 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000039160 [0,1,0,0,0,1|1,0,1]=4 3871 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000036797 [0,1,0,0,0,1|1,0,1]=4 3872 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000036797 [0,1,0,0,0,1|1,0,1]=4 3873 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000036797 [0,1,0,0,0,1|1,0,1]=4 3874 B14R1.3 CC(=O)C(C)Nc1ccc(cc1)CO 2230a_100011215238_100009814033 [0,1,0,0,0,1|2,0,0]=4 3875 B14R1.3 CC(=O)N(C)Cc1ccc(cc1)C#N 11a_100000217971_100015343762 [0,1,0,0,0,1|2,0,0]=4 3876 B14R1.3 CC(=O)N(C)Cc1ccc(cc1)C#N 1626a_100000217971_100015343762 [0,1,0,0,0,1|2,0,0]=4 3877 B14R1.3 CC(=O)N(C)Cc1ccc(cc1)C#N 240690a_100000217971_100015343762 [0,1,0,0,0,1|2,0,0]=4 3878 B14R1.3 CC(=O)N(C)Cc1ccc(cc1)C#N 527a_100000217971_100103153847 [0,1,0,0,0,1|2,0,0]=4 3879 B14R1.3 CC(Oc1ccc(cc1)O[13CH3])C(=O)[O-] 34a_203549785325_200025704644 [0,1,0,0,0,1|2,0,0]=4 3880 B14R1.3 CCc1ccc(cc1)CN(C)C(=O)C 11a_100000683253_100015343762 [0,1,0,0,0,1|1,0,0]=3 3881 B14R1.3 CCc1ccc(cc1)CN(C)C(=O)C 1626a_100000683253_100015343762 [0,1,0,0,0,1|1,0,0]=3 3882 B14R1.3 CCc1ccc(cc1)CN(C)C(=O)C 240690a_100000683253_100015343762 [0,1,0,0,0,1|1,0,0]=3 3883 B14R1.3 CCc1ccc(cc1)CN(C)C(=O)C 527a_100000683253_100103153847 [0,1,0,0,0,1|1,0,0]=3 3884 B14R1.3 CCc1ccc(cc1)NC(=O)C(=O)N 22a_100000211069_100011215815 [0,1,0,0,0,1|2,0,0]=4 3885 B14R1.3 CCc1ccc(cc1)NC(C)C(=O)C 2230a_100000211069_100009814033 [0,1,0,0,0,1|1,0,0]=3 3886 B14R1.3 CCc1ccc(cc1)NC(C)C(=O)N 2230a_100000211069_100000702099 [0,1,0,0,0,1|2,0,0]=4 3887 B14R1.3 CCc1ccc(cc1)NC(C)C(=O)N 34a_100000211069_100000702099 [0,1,0,0,0,1|2,0,0]=4 3888 B14R1.3 CCc1ccc(cc1)NC(F)C(=O)N 2230a_100000211069_100009813875 [0,1,0,0,0,1|2,0,0]=4 3889 B14R1.3 CCc1ccc(cc1)NC(F)C(=O)N 34a_100000211069_100009813875 [0,1,0,0,0,1|2,0,0]=4 3890 B14R1.3 CCc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000211069_100020610796 [0,1,0,0,0,1|2,0,0]=4 3891 B14R1.3 CCc1ccc(cc1)OC(C)C(=O)C 1458a_200000216327_200000210301 [0,1,0,0,0,1|2,0,0]=4 3892 B14R1.3 CCc1ccc(cc1)OC(C)C(=O)C 7a_100000211359_100000179758 [0,1,0,0,0,1|2,0,0]=4 3893 B14R1.3 CCc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_200000216327_200025704644 [0,1,0,0,0,1|2,0,0]=4 3894 B14R1.3 CCc1ccc(cc1)SC(C)C(=O)C 62a_100009814033_100011215824 [0,1,0,0,0,1|2,0,0]=4 3895 B14R1.3 CCc1ccc(cc1)SC(C)C(=O)C 62a_100011215824_100009814033 [0,1,0,0,0,1|2,0,0]=4 3896 B14R1.3 CNc1ccc(cc1)SC(C)C(=O)C 62a_100000743151_100009814033 [0,1,0,0,0,1|2,0,0]=4 3897 B14R1.3 CNc1ccc(cc1)SC(C)C(=O)C 62a_100009814033_100000743151 [0,1,0,0,0,1|2,0,0]=4 3898 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 11a_100000184145_100015343762 [0,1,0,0,0,1|0,0,0]=2 3899 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 1626a_100000184145_100015343762 [0,1,0,0,0,1|0,0,0]=2 3900 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 240690a_100000184145_100015343762 [0,1,0,0,0,1|0,0,0]=2 3901 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 527a_100000184145_100103153847 [0,1,0,0,0,1|0,0,0]=2 3902 B14R1.3 COc1ccc(cc1)CN(C)C(C)C 2230a_100000184145_100000210206 [0,1,0,0,0,1|1,0,1]=4 3903 B14R1.3 COc1ccc(cc1)CN(C)C(C)C 2230a_100000195754_200000210301 [0,1,0,0,0,1|1,0,1]=4 3904 B14R1.3 COc1ccc(cc1)CN(C)C(C)C 269982a_100000184145_100000210206 [0,1,0,0,0,1|1,0,1]=4 3905 B14R1.3 COc1ccc(cc1)CN(C)C(C)C 269982a_100000195754_200000210301 [0,1,0,0,0,1|1,0,1]=4 3906 B14R1.3 COc1ccc(cc1)CN(C)C(C)C 269982a_200000211004_100000742318 [0,1,0,0,0,1|1,0,1]=4 3907 B14R1.3 COc1ccc(cc1)CN(C)C(C)C 270004a_200000211004_100000169835 [0,1,0,0,0,1|1,0,1]=4 3908 B14R1.3 COc1ccc(cc1)CN(C)C(C)C 34a_100000195754_200000210301 [0,1,0,0,0,1|1,0,1]=4 3909 B14R1.3 COc1ccc(cc1)CN([13CH3])C(C)C 2230a_100000195754_200025704644 [0,1,0,0,0,1|1,0,1]=4 3910 B14R1.3 COc1ccc(cc1)CN([13CH3])C(C)C 269982a_100000195754_200025704644 [0,1,0,0,0,1|1,0,1]=4 3911 B14R1.3 COc1ccc(cc1)CN([13CH3])C(C)C 34a_100000195754_200025704644 [0,1,0,0,0,1|1,0,1]=4 3912 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200000210301 [0,1,0,0,0,1|2,0,0]=4 3913 B14R1.3 COc1ccc(cc1)NC(=O)C(=O)N 22a_100000184247_100011215815 [0,1,0,0,0,1|1,0,0]=3 3914 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 11a_100000184247_100000210198 [0,1,0,0,0,1|1,0,1]=4 3915 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 1626a_100000184247_100000210198 [0,1,0,0,0,1|1,0,1]=4 3916 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 22a_100000184247_100000210198 [0,1,0,0,0,1|1,0,1]=4 3917 B14R1.3 COc1ccc(cc1)NC(=O)C(C)C 527a_100000184247_100000210198 [0,1,0,0,0,1|1,0,1]=4 3918 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 11a_100000184247_100000062450 [0,1,0,0,0,1|1,0,1]=4 3919 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 1626a_100000184247_100000062450 [0,1,0,0,0,1|1,0,1]=4 3920 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 22a_100000184247_100000062450 [0,1,0,0,0,1|1,0,1]=4 3921 B14R1.3 COc1ccc(cc1)NC(=O)C(C)F 527a_100000184247_100000062450 [0,1,0,0,0,1|1,0,1]=4 3922 B14R1.3 COc1ccc(cc1)NC(=O)N(C)C 2430a_100000184247_100102631434 [0,1,0,0,0,1|2,0,0]=4 3923 B14R1.3 COc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000184247_100000717761 [0,1,0,0,0,1|0,0,2]=4 3924 B14R1.3 COc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000184247_217856618621 [0,1,0,0,0,1|0,0,2]=4 3925 B14R1.3 COc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000184247_217856618621 [0,1,0,0,0,1|0,0,2]=4 3926 B14R1.3 COc1ccc(cc1)NC(C)C(=O)N 34a_100000184247_100000702099 [0,1,0,0,0,1|1,0,0]=3 3927 B14R1.3 COc1ccc(cc1)NC(F)C(=O)N 34a_100000184247_100009813875 [0,1,0,0,0,1|1,0,0]=3 3928 B14R1.3 COc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000184247_100020610796 [0,1,0,0,0,1|1,0,0]=3 3929 B14R1.3 COc1ccc(cc1)OC(C)C(=O)C 1458a_100000188420_200000210301 [0,1,0,0,0,1|1,0,0]=3 3930 B14R1.3 COc1ccc(cc1)OC(C)C(=O)N 34a_100000210503_100000702099 [0,1,0,0,0,1|2,0,0]=4 3931 B14R1.3 COc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000188420_200025704644 [0,1,0,0,0,1|1,0,0]=3 3932 B14R1.3 COc1ccc(cc1)OC(C)C(=O)[O-] 34a_203549785325_200000210301 [0,1,0,0,0,1|2,0,0]=4 3933 B14R1.3 COc1ccc(cc1)OC(F)C(=O)N 34a_100000210503_100009813875 [0,1,0,0,0,1|2,0,0]=4 3934 B14R1.3 COc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210503_100020610796 [0,1,0,0,0,1|2,0,0]=4 3935 B14R1.3 COc1ccc(cc1)SC(C)C(=O)C 1458a_100000230843_200000210301 [0,1,0,0,0,1|1,0,0]=3 3936 B14R1.3 COc1ccc(cc1)SC(C)C(=O)C 62a_100009814033_100000171711 [0,1,0,0,0,1|1,0,0]=3 3937 B14R1.3 COc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000171711 [0,1,0,0,0,1|2,0,0]=4 3938 B14R1.3 COc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000230843_200025704644 [0,1,0,0,0,1|1,0,0]=3 3939 B14R1.3 COc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000171711 [0,1,0,0,0,1|2,0,0]=4 3940 B14R1.3 COc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000171711 [0,1,0,0,0,1|2,0,0]=4 3941 B14R1.3 COc1ccc(cn1)SC(C)C(=O)C 62a_100000047065_100009814033 [0,1,0,0,0,1|2,0,0]=4 3942 B14R1.3 COc1ccc(cn1)SC(C)C(=O)C 62a_100009814033_100000047065 [0,1,0,0,0,1|2,0,0]=4 3943 B14R1.3 COc1ccc(nc1)SC(C)C(=O)C 62a_100000755202_100009814033 [0,1,0,0,0,1|2,0,0]=4 3944 B14R1.3 COc1ccc(nc1)SC(C)C(=O)C 62a_100009814033_100000744180 [0,1,0,0,0,1|2,0,0]=4 3945 B14R1.3 CSc1ccc(cc1)CN(C)C(=O)C 11a_102495365258_100015343762 [0,1,0,0,0,1|0,1,0]=3 3946 B14R1.3 CSc1ccc(cc1)CN(C)C(=O)C 1626a_102495365258_100015343762 [0,1,0,0,0,1|0,1,0]=3 3947 B14R1.3 CSc1ccc(cc1)CN(C)C(=O)C 240690a_102495365258_100015343762 [0,1,0,0,0,1|0,1,0]=3 3948 B14R1.3 CSc1ccc(cc1)CN(C)C(=O)C 527a_102495365258_100103153847 [0,1,0,0,0,1|0,1,0]=3 3949 B14R1.3 CSc1ccc(cc1)NC(=O)C(=O)N 22a_100000212337_100011215815 [0,1,0,0,0,1|1,1,0]=4 3950 B14R1.3 CSc1ccc(cc1)NC(C)C(=O)N 34a_100000212337_100000702099 [0,1,0,0,0,1|1,1,0]=4 3951 B14R1.3 CSc1ccc(cc1)NC(F)C(=O)N 34a_100000212337_100009813875 [0,1,0,0,0,1|1,1,0]=4 3952 B14R1.3 CSc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000212337_100020610796 [0,1,0,0,0,1|1,1,0]=4 3953 B14R1.3 CSc1ccc(cc1)SC(C)C(=O)C 62a_100009814033_100011263217 [0,1,0,0,0,1|1,1,0]=4 3954 B14R1.3 CSc1ccc(cc1)SC(C)C(=O)C 62a_100011263217_100009814033 [0,1,0,0,0,1|1,1,0]=4 3955 B14R1.3 [13CH3]Oc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200025704644 [0,1,0,0,0,1|2,0,0]=4 3956 B14R1.5 C#CC(=NNc1ccc(cc1)CC)C 4a_100015204395_100000690481 [0,1,0,0,0,1|2,0,0]=4 3957 B14R1.5 C#CC(=NNc1ccc(cc1)OC)C 4a_100000005221_100000690481 [0,1,0,0,0,1|1,0,0]=3 3958 B14R1.5 C#CC(=NNc1ccc(cc1)SC)C 4a_100000006515_100000690481 [0,1,0,0,0,1|1,1,0]=4 3959 B14R1.5 C#CC(=NNc1ccc(nc1)OC)C 4a_100102564821_100000690481 [0,1,0,0,0,1|2,0,0]=4 3960 B14R1.5 C#CC(=O)CCc1ccc(cc1)OC 1458a_100000211873_100000184700 [0,1,0,0,0,1|1,0,1]=4 3961 B14R1.5 C#CC(C)NCc1ccc(cc1)OC 2230a_100000707721_100000742318 [0,1,0,0,0,1|1,0,1]=4 3962 B14R1.5 C#CC(C)NCc1ccc(cc1)OC 270004a_100000707721_100000169835 [0,1,0,0,0,1|1,0,1]=4 3963 B14R1.5 C#CC(C)NCc1ccc(cc1)OC 34a_100000185587_200000035995 [0,1,0,0,0,1|1,0,1]=4 3964 B14R1.5 C#CC(C)NCc1ccc(cc1)OC 34a_100000707721_100000742318 [0,1,0,0,0,1|1,0,1]=4 3965 B14R1.5 C#Cc1ccc(cc1)CNC(=O)CC 11a_100015199678_100000210414 [0,1,0,0,0,1|1,0,1]=4 3966 B14R1.5 C#Cc1ccc(cc1)CNC(=O)CC 1626a_100015199678_100000210414 [0,1,0,0,0,1|1,0,1]=4 3967 B14R1.5 C#Cc1ccc(cc1)CNC(=O)CC 240690a_100015199678_100000210414 [0,1,0,0,0,1|1,0,1]=4 3968 B14R1.5 C#Cc1ccc(cc1)CNC(=O)CC 527a_100015199678_100000210414 [0,1,0,0,0,1|1,0,1]=4 3969 B14R1.5 C#Cc1ccc(cc1)CNC(=O)CO 240690a_100015199678_100000210174 [0,1,0,0,0,1|1,0,1]=4 3970 B14R1.5 C#Cc1ccc(cc1)CNC(=O)CO 527a_100015199678_100000210174 [0,1,0,0,0,1|1,0,1]=4 3971 B14R1.5 C#Cc1ccc(cc1)CNC(=O)NC 2708a_100015199678_106832991635 [0,1,0,0,0,1|1,0,1]=4 3972 B14R1.5 C#Cc1ccc(cc1)CNC(=O)NC 2708a_100102657272_100015199678 [0,1,0,0,0,1|1,0,1]=4 3973 B14R1.5 C#Cc1ccc(cc1)CNC(=O)NC 273464a_100015199678_100102657272 [0,1,0,0,0,1|1,0,1]=4 3974 B14R1.5 C#Cc1ccc(cc1)CNC(=O)NC 273464a_100102657272_100015199678 [0,1,0,0,0,1|1,0,1]=4 3975 B14R1.5 C#Cc1ccc(cc1)CNC(=O)NC 512a_100015199678_100102657272 [0,1,0,0,0,1|1,0,1]=4 3976 B14R1.5 C#Cc1ccc(cc1)CNC(=O)NC 512a_106832991638_100015199678 [0,1,0,0,0,1|1,0,1]=4 3977 B14R1.5 C#Cc1ccc(cc1)NCC(=O)NC 34a_100011215031_100000183359 [0,1,0,0,0,1|1,0,1]=4 3978 B14R1.5 C#Cc1ccc(cc1)NCC(=O)OC 34a_100011215031_100000747449 [0,1,0,0,0,1|1,0,1]=4 3979 B14R1.5 C=C(C#N)CNc1ccc(cc1)OC 34a_100000184247_100000694840 [0,1,0,0,0,1|1,0,1]=4 3980 B14R1.5 C=CC(=NNc1ccc(cc1)CC)C 4a_100015204395_200015361842 [0,1,0,0,0,1|2,0,0]=4 3981 B14R1.5 C=CC(=NNc1ccc(cc1)OC)C 4a_100000005221_200015361842 [0,1,0,0,0,1|1,0,0]=3 3982 B14R1.5 C=CC(=NNc1ccc(cc1)SC)C 4a_100000006515_200015361842 [0,1,0,0,0,1|1,1,0]=4 3983 B14R1.5 C=CC(=NNc1ccc(nc1)OC)C 4a_100102564821_200015361842 [0,1,0,0,0,1|2,0,0]=4 3984 B14R1.5 C=CC(=O)CCc1ccc(cc1)OC 1458a_100000185746_100000184700 [0,1,0,0,0,1|1,0,1]=4 3985 B14R1.5 C=CC(=O)NCc1ccc(cc1)CC 1626a_100000721222_100000185746 [0,1,0,0,0,1|1,0,1]=4 3986 B14R1.5 C=CC(=O)NCc1ccc(cc1)CC 240690a_100000721222_200121576911 [0,1,0,0,0,1|1,0,1]=4 3987 B14R1.5 C=CC(=O)NCc1ccc(cc1)OC 1626a_100000185587_100000185746 [0,1,0,0,0,1|0,0,1]=3 3988 B14R1.5 C=CC(=O)NCc1ccc(cc1)OC 240690a_100000185587_200121576911 [0,1,0,0,0,1|0,0,1]=3 3989 B14R1.5 C=CC(=O)NCc1ccc(cc1)SC 240690a_100000174980_200121576911 [0,1,0,0,0,1|0,1,1]=4 3990 B14R1.5 C=CC(=O)NCc1ccc(cn1)OC 1626a_100000703904_100000185746 [0,1,0,0,0,1|1,0,1]=4 3991 B14R1.5 C=CC(=O)NCc1ccc(cn1)OC 240690a_100000703904_200121576911 [0,1,0,0,0,1|1,0,1]=4 3992 B14R1.5 C=CC(=O)NCc1ccc(nc1)OC 1626a_100000241975_100000185746 [0,1,0,0,0,1|1,0,1]=4 3993 B14R1.5 C=CC(=O)NCc1ccc(nc1)OC 240690a_100000241975_200121576911 [0,1,0,0,0,1|1,0,1]=4 3994 B14R1.5 C=CC(=O)NNc1ccc(cc1)CC 22a_100015204395_100000185746 [0,1,0,0,0,1|1,0,1]=4 3995 B14R1.5 C=CC(=O)NNc1ccc(cc1)OC 22a_100000005221_100000185746 [0,1,0,0,0,1|0,0,1]=3 3996 B14R1.5 C=CC(=O)NNc1ccc(cc1)SC 22a_100000006515_100000185746 [0,1,0,0,0,1|0,1,1]=4 3997 B14R1.5 C=CC(=O)NNc1ccc(nc1)OC 22a_100102564821_100000185746 [0,1,0,0,0,1|1,0,1]=4 3998 B14R1.5 C=Cc1ccc(cc1)CNC(=O)CC 11a_200011934891_100000210414 [0,1,0,0,0,1|1,0,1]=4 3999 B14R1.5 C=Cc1ccc(cc1)CNC(=O)CC 1626a_200011934891_100000210414 [0,1,0,0,0,1|1,0,1]=4 4000 B14R1.5 C=Cc1ccc(cc1)CNC(=O)CC 240690a_200011934891_100000210414 [0,1,0,0,0,1|1,0,1]=4 4001 B14R1.5 C=Cc1ccc(cc1)CNC(=O)CC 527a_200011934891_100000210414 [0,1,0,0,0,1|1,0,1]=4 4002 B14R1.5 C=Cc1ccc(cc1)CNC(=O)CO 240690a_200011934891_100000210174 [0,1,0,0,0,1|1,0,1]=4 4003 B14R1.5 C=Cc1ccc(cc1)CNC(=O)CO 527a_200011934891_100000210174 [0,1,0,0,0,1|1,0,1]=4 4004 B14R1.5 C=Cc1ccc(cc1)CNC(=O)NC 2708a_100102657272_200011934891 [0,1,0,0,0,1|1,0,1]=4 4005 B14R1.5 C=Cc1ccc(cc1)CNC(=O)NC 2708a_200011934891_106832991635 [0,1,0,0,0,1|1,0,1]=4 4006 B14R1.5 C=Cc1ccc(cc1)CNC(=O)NC 273464a_100102657272_200011934891 [0,1,0,0,0,1|1,0,1]=4 4007 B14R1.5 C=Cc1ccc(cc1)CNC(=O)NC 273464a_200011934891_100102657272 [0,1,0,0,0,1|1,0,1]=4 4008 B14R1.5 C=Cc1ccc(cc1)CNC(=O)NC 512a_106832991638_200011934891 [0,1,0,0,0,1|1,0,1]=4 4009 B14R1.5 C=Cc1ccc(cc1)NCC(=O)NC 34a_100011218248_100000183359 [0,1,0,0,0,1|1,0,1]=4 4010 B14R1.5 C=Cc1ccc(cc1)NCC(=O)OC 34a_100011218248_100000747449 [0,1,0,0,0,1|1,0,1]=4 4011 B14R1.5 CCC(=O)C#Cc1ccc(cc1)OC 1458a_100000185621_100000210202 [0,1,0,0,0,1|1,0,0]=3 4012 B14R1.5 CCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210202 [0,1,0,0,0,1|2,0,0]=4 4013 B14R1.5 CCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210202 [0,1,0,0,0,1|1,0,0]=3 4014 B14R1.5 CCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210202 [0,1,0,0,0,1|1,1,0]=4 4015 B14R1.5 CCC(=O)CCc1ccc(cc1)CC 1458a_100000195522_100000210202 [0,1,0,0,0,1|2,0,0]=4 4016 B14R1.5 CCC(=O)CCc1ccc(cc1)OC 1458a_100000210414_100000184700 [0,1,0,0,0,1|1,0,0]=3 4017 B14R1.5 CCC(=O)CCc1ccc(cc1)OC 1458a_100000211712_100000210202 [0,1,0,0,0,1|1,0,0]=3 4018 B14R1.5 CCC(=O)CCc1ccc(cc1)SC 1458a_100011252364_100000210202 [0,1,0,0,0,1|1,1,0]=4 4019 B14R1.5 CCC(=O)COc1ccc(cc1)CC 1458a_100000182499_100000210202 [0,1,0,0,0,1|2,0,0]=4 4020 B14R1.5 CCC(=O)COc1ccc(cc1)CC 7a_100000211359_100000747405 [0,1,0,0,0,1|2,0,0]=4 4021 B14R1.5 CCC(=O)COc1ccc(cc1)OC 1458a_100000186439_100000210202 [0,1,0,0,0,1|1,0,0]=3 4022 B14R1.5 CCC(=O)CSc1ccc(cc1)CC 62a_100000747405_100011215824 [0,1,0,0,0,1|2,0,0]=4 4023 B14R1.5 CCC(=O)CSc1ccc(cc1)CC 62a_100011215824_100000747405 [0,1,0,0,0,1|2,0,0]=4 4024 B14R1.5 CCC(=O)CSc1ccc(cc1)NC 62a_100000743151_100000747405 [0,1,0,0,0,1|2,0,0]=4 4025 B14R1.5 CCC(=O)CSc1ccc(cc1)NC 62a_100000747405_100000743151 [0,1,0,0,0,1|2,0,0]=4 4026 B14R1.5 CCC(=O)CSc1ccc(cc1)OC 1458a_100000182033_100000210202 [0,1,0,0,0,1|1,0,0]=3 4027 B14R1.5 CCC(=O)CSc1ccc(cc1)OC 62a_100000747405_100000171711 [0,1,0,0,0,1|1,0,0]=3 4028 B14R1.5 CCC(=O)CSc1ccc(cc1)SC 62a_100000747405_100011263217 [0,1,0,0,0,1|1,1,0]=4 4029 B14R1.5 CCC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000747405 [0,1,0,0,0,1|1,1,0]=4 4030 B14R1.5 CCC(=O)CSc1ccc(cn1)OC 62a_100000747405_100000744180 [0,1,0,0,0,1|2,0,0]=4 4031 B14R1.5 CCC(=O)CSc1ccc(cn1)OC 62a_100000755202_100000747405 [0,1,0,0,0,1|2,0,0]=4 4032 B14R1.5 CCC(=O)CSc1ccc(nc1)OC 62a_100000047065_100000747405 [0,1,0,0,0,1|2,0,0]=4 4033 B14R1.5 CCC(=O)CSc1ccc(nc1)OC 62a_100000747405_100000047065 [0,1,0,0,0,1|2,0,0]=4 4034 B14R1.5 CCC(=O)NCc1ccc(cc1)C#N 11a_100015207190_100000210414 [0,1,0,0,0,1|2,0,0]=4 4035 B14R1.5 CCC(=O)NCc1ccc(cc1)C#N 1626a_100015207190_100000210414 [0,1,0,0,0,1|2,0,0]=4 4036 B14R1.5 CCC(=O)NCc1ccc(cc1)C#N 240690a_100015207190_100000210414 [0,1,0,0,0,1|2,0,0]=4 4037 B14R1.5 CCC(=O)NCc1ccc(cc1)C#N 527a_100015207190_100000210414 [0,1,0,0,0,1|2,0,0]=4 4038 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 11a_100000721222_100000210414 [0,1,0,0,0,1|1,0,0]=3 4039 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 1626a_100000721222_100000210414 [0,1,0,0,0,1|1,0,0]=3 4040 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 240690a_100000721222_100000210414 [0,1,0,0,0,1|1,0,0]=3 4041 B14R1.5 CCC(=O)NCc1ccc(cc1)CC 527a_100000721222_100000210414 [0,1,0,0,0,1|1,0,0]=3 4042 B14R1.5 CCC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100000210414 [0,1,0,0,0,1|2,0,0]=4 4043 B14R1.5 CCC(=O)NCc1ccc(cc1)CO 527a_100015189231_100000210414 [0,1,0,0,0,1|2,0,0]=4 4044 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 11a_100000185587_100000210414 [0,1,0,0,0,1|0,0,0]=2 4045 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 1626a_100000185587_100000210414 [0,1,0,0,0,1|0,0,0]=2 4046 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 240690a_100000185587_100000210414 [0,1,0,0,0,1|0,0,0]=2 4047 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 527a_100000185587_100000210414 [0,1,0,0,0,1|0,0,0]=2 4048 B14R1.5 CCC(=O)NCc1ccc(cc1)SC 11a_100000174980_100000210414 [0,1,0,0,0,1|0,1,0]=3 4049 B14R1.5 CCC(=O)NCc1ccc(cc1)SC 240690a_100000174980_100000210414 [0,1,0,0,0,1|0,1,0]=3 4050 B14R1.5 CCC(=O)NCc1ccc(cc1)SC 527a_100000174980_100000210414 [0,1,0,0,0,1|0,1,0]=3 4051 B14R1.5 CCC(=O)NCc1ccc(cn1)CC 11a_100000069493_100000210414 [0,1,0,0,0,1|2,0,0]=4 4052 B14R1.5 CCC(=O)NCc1ccc(cn1)CC 1626a_100000069493_100000210414 [0,1,0,0,0,1|2,0,0]=4 4053 B14R1.5 CCC(=O)NCc1ccc(cn1)CC 240690a_100000069493_100000210414 [0,1,0,0,0,1|2,0,0]=4 4054 B14R1.5 CCC(=O)NCc1ccc(cn1)CC 527a_100000069493_100000210414 [0,1,0,0,0,1|2,0,0]=4 4055 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 11a_100000703904_100000210414 [0,1,0,0,0,1|1,0,0]=3 4056 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 1626a_100000703904_100000210414 [0,1,0,0,0,1|1,0,0]=3 4057 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 240690a_100000703904_100000210414 [0,1,0,0,0,1|1,0,0]=3 4058 B14R1.5 CCC(=O)NCc1ccc(cn1)OC 527a_100000703904_100000210414 [0,1,0,0,0,1|1,0,0]=3 4059 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 11a_100000241975_100000210414 [0,1,0,0,0,1|1,0,0]=3 4060 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 1626a_100000241975_100000210414 [0,1,0,0,0,1|1,0,0]=3 4061 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 240690a_100000241975_100000210414 [0,1,0,0,0,1|1,0,0]=3 4062 B14R1.5 CCC(=O)NCc1ccc(nc1)OC 527a_100000241975_100000210414 [0,1,0,0,0,1|1,0,0]=3 4063 B14R1.5 CCC(=O)NN=C1C=CC(=NCl)C=C1 4a_100000183195_100000088476 [0,1,0,0,0,1|2,0,0]=4 4064 B14R1.5 CCC(=O)NN=C1C=CC(=NO)C=C1 4a_100000183195_200000095120 [0,1,0,0,0,1|2,0,0]=4 4065 B14R1.5 CCC(=O)NNc1ccc(cc1)C#N 22a_100000739705_100000210414 [0,1,0,0,0,1|2,0,0]=4 4066 B14R1.5 CCC(=O)NNc1ccc(cc1)CC 22a_100015204395_100000210414 [0,1,0,0,0,1|1,0,0]=3 4067 B14R1.5 CCC(=O)NNc1ccc(cc1)OC 22a_100000005221_100000210414 [0,1,0,0,0,1|0,0,0]=2 4068 B14R1.5 CCC(=O)NNc1ccc(cc1)SC 22a_100000006515_100000210414 [0,1,0,0,0,1|0,1,0]=3 4069 B14R1.5 CCC(=O)NNc1ccc(nc1)OC 22a_100102564821_100000210414 [0,1,0,0,0,1|1,0,0]=3 4070 B14R1.5 CCC(C)CNc1ccc(cc1)OC 34a_100000184247_100000748023 [0,1,0,0,0,1|1,0,1]=4 4071 B14R1.5 CCC(C)NCc1ccc(cc1)OC 207a_100000209981_100000169835 [0,1,0,0,0,1|1,0,1]=4 4072 B14R1.5 CCC(C)NCc1ccc(cc1)OC 2230a_100000209981_100000742318 [0,1,0,0,0,1|1,0,1]=4 4073 B14R1.5 CCC(C)NCc1ccc(cc1)OC 270004a_100000209981_100000169835 [0,1,0,0,0,1|1,0,1]=4 4074 B14R1.5 CCC(C)NCc1ccc(cc1)OC 34a_100000185587_100011215416 [0,1,0,0,0,1|1,0,1]=4 4075 B14R1.5 CCC(O)CNc1ccc(cc1)OC 34a_100000184247_100011218378 [0,1,0,0,0,1|0,0,2]=4 4076 B14R1.5 CC[C@H](C)CNc1ccc(cc1)OC 34a_100000184247_100009816398 [0,1,0,0,0,1|1,0,1]=4 4077 B14R1.5 CCc1ccc(cc1)C=CC(=O)CF 1458a_100000187855_100015361967 [0,1,0,0,0,1|2,0,0]=4 4078 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 11a_106832991635_100000187855 [0,1,0,0,0,1|2,0,0]=4 4079 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 1626a_100102657272_100000187855 [0,1,0,0,0,1|2,0,0]=4 4080 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 240690a_100102657272_100000187855 [0,1,0,0,0,1|2,0,0]=4 4081 B14R1.5 CCc1ccc(cc1)CCC(=O)CF 1458a_100000195522_100015361967 [0,1,0,0,0,1|2,0,0]=4 4082 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 11a_106832991635_100000195522 [0,1,0,0,0,1|2,0,0]=4 4083 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 1626a_100102657272_100000195522 [0,1,0,0,0,1|2,0,0]=4 4084 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 240690a_100102657272_100000195522 [0,1,0,0,0,1|2,0,0]=4 4085 B14R1.5 CCc1ccc(cc1)CCC(=O)NC 527a_100102657272_100000195522 [0,1,0,0,0,1|2,0,0]=4 4086 B14R1.5 CCc1ccc(cc1)CNC(=O)CO 240690a_100000721222_100000210174 [0,1,0,0,0,1|1,0,0]=3 4087 B14R1.5 CCc1ccc(cc1)CNC(=O)CO 527a_100000721222_100000210174 [0,1,0,0,0,1|1,0,0]=3 4088 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 2708a_100000721222_106832991635 [0,1,0,0,0,1|1,0,0]=3 4089 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 2708a_100102657272_100000721222 [0,1,0,0,0,1|1,0,0]=3 4090 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 273464a_100000721222_100102657272 [0,1,0,0,0,1|1,0,0]=3 4091 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 273464a_100102657272_100000721222 [0,1,0,0,0,1|1,0,0]=3 4092 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 512a_100000721222_100102657272 [0,1,0,0,0,1|1,0,0]=3 4093 B14R1.5 CCc1ccc(cc1)CNC(=O)NC 512a_106832991638_100000721222 [0,1,0,0,0,1|1,0,0]=3 4094 B14R1.5 CCc1ccc(cc1)NCC(=O)NC 2230a_100000211069_100000183359 [0,1,0,0,0,1|1,0,0]=3 4095 B14R1.5 CCc1ccc(cc1)NCC(=O)NC 34a_100000211069_100000183359 [0,1,0,0,0,1|1,0,0]=3 4096 B14R1.5 CCc1ccc(cc1)NCC(=O)OC 2230a_100000211069_100000747449 [0,1,0,0,0,1|1,0,0]=3 4097 B14R1.5 CCc1ccc(cc1)NCC(=O)OC 34a_100000211069_100000747449 [0,1,0,0,0,1|1,0,0]=3 4098 B14R1.5 CCc1ccc(cc1)NN=C(C)CF 4a_100015204395_100000039719 [0,1,0,0,0,1|2,0,0]=4 4099 B14R1.5 CCc1ccc(cc1)NN=C(C)CO 4a_100015204395_100000211253 [0,1,0,0,0,1|1,0,1]=4 4100 B14R1.5 CCc1ccc(cc1)NNC(=O)CO 22a_100015204395_100000210174 [0,1,0,0,0,1|1,0,0]=3 4101 B14R1.5 CCc1ccc(cc1)NNC(=O)NC 273464a_100102657272_100015204395 [0,1,0,0,0,1|1,0,0]=3 4102 B14R1.5 CCc1ccc(cc1)NNC(=O)NC 512a_106832991638_100015204395 [0,1,0,0,0,1|1,0,0]=3 4103 B14R1.5 CCc1ccc(cc1)OCC(=O)CF 1458a_100000182499_100015361967 [0,1,0,0,0,1|2,0,0]=4 4104 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 11a_106832991635_100000182499 [0,1,0,0,0,1|2,0,0]=4 4105 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 1626a_100102657272_100000182499 [0,1,0,0,0,1|2,0,0]=4 4106 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 240690a_100102657272_100000182499 [0,1,0,0,0,1|2,0,0]=4 4107 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 34a_100000211359_100000183359 [0,1,0,0,0,1|2,0,0]=4 4108 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 527a_100102657272_100000182499 [0,1,0,0,0,1|2,0,0]=4 4109 B14R1.5 CCc1ccc(cc1)OCC(=O)NC 7a_100000211359_100000183359 [0,1,0,0,0,1|2,0,0]=4 4110 B14R1.5 CCc1ccc(cc1)OCC(=O)OC 34a_100000211359_100000747449 [0,1,0,0,0,1|2,0,0]=4 4111 B14R1.5 CCc1ccc(cc1)OCC(=O)OC 7a_100000211359_100000747449 [0,1,0,0,0,1|2,0,0]=4 4112 B14R1.5 CCc1ccc(cc1)SCC(=O)NC 62a_100000183359_100011215824 [0,1,0,0,0,1|2,0,0]=4 4113 B14R1.5 CCc1ccc(cc1)SCC(=O)NC 62a_100011215824_100000183359 [0,1,0,0,0,1|2,0,0]=4 4114 B14R1.5 CCc1ccc(cc1)SCC(=O)OC 62a_100000747449_100011215824 [0,1,0,0,0,1|2,0,0]=4 4115 B14R1.5 CCc1ccc(cc1)SCC(=O)OC 62a_100011215824_100000747449 [0,1,0,0,0,1|2,0,0]=4 4116 B14R1.5 CCc1ccc(nc1)CNC(=O)CO 240690a_100000069493_100000210174 [0,1,0,0,0,1|2,0,0]=4 4117 B14R1.5 CCc1ccc(nc1)CNC(=O)CO 527a_100000069493_100000210174 [0,1,0,0,0,1|2,0,0]=4 4118 B14R1.5 CCc1ccc(nc1)CNC(=O)NC 2708a_100000069493_106832991635 [0,1,0,0,0,1|2,0,0]=4 4119 B14R1.5 CCc1ccc(nc1)CNC(=O)NC 2708a_100102657272_100000069493 [0,1,0,0,0,1|2,0,0]=4 4120 B14R1.5 CCc1ccc(nc1)CNC(=O)NC 273464a_100000069493_100102657272 [0,1,0,0,0,1|2,0,0]=4 4121 B14R1.5 CCc1ccc(nc1)CNC(=O)NC 273464a_100102657272_100000069493 [0,1,0,0,0,1|2,0,0]=4 4122 B14R1.5 CCc1ccc(nc1)CNC(=O)NC 512a_100000069493_100102657272 [0,1,0,0,0,1|2,0,0]=4 4123 B14R1.5 CCc1ccc(nc1)CNC(=O)NC 512a_106832991638_100000069493 [0,1,0,0,0,1|2,0,0]=4 4124 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 11a_106832991635_100000184205 [0,1,0,0,0,1|1,0,0]=3 4125 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 1626a_100102657272_100000184205 [0,1,0,0,0,1|1,0,0]=3 4126 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 527a_100102657272_100000184205 [0,1,0,0,0,1|1,0,0]=3 4127 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 11a_106832991635_100102526083 [0,1,0,0,0,1|1,1,0]=4 4128 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 1626a_100102657272_100102526083 [0,1,0,0,0,1|1,1,0]=4 4129 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 240690a_100102657272_100102526083 [0,1,0,0,0,1|1,1,0]=4 4130 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 11a_106832991635_100000211712 [0,1,0,0,0,1|1,0,0]=3 4131 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 1626a_100102657272_100000211712 [0,1,0,0,0,1|1,0,0]=3 4132 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 240690a_100102657272_100000211712 [0,1,0,0,0,1|1,0,0]=3 4133 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 527a_100102657272_100000211712 [0,1,0,0,0,1|1,0,0]=3 4134 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 11a_106832991635_100011252364 [0,1,0,0,0,1|1,1,0]=4 4135 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 1626a_100102657272_100011252364 [0,1,0,0,0,1|1,1,0]=4 4136 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 240690a_100102657272_100011252364 [0,1,0,0,0,1|1,1,0]=4 4137 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 527a_100102657272_100011252364 [0,1,0,0,0,1|1,1,0]=4 4138 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 62a_200000210301_200010273138 [0,1,0,0,0,1|1,1,0]=4 4139 B14R1.5 CNC(=O)CCc1ccc(cc1)SC 62a_200010273138_200000210301 [0,1,0,0,0,1|1,1,0]=4 4140 B14R1.5 CNC(=O)CCc1ccc(cc1)S[13CH3] 62a_200010273138_200025704644 [0,1,0,0,0,1|1,1,0]=4 4141 B14R1.5 CNC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_200010273138 [0,1,0,0,0,1|1,1,0]=4 4142 B14R1.5 CNC(=O)CNc1ccc(cc1)C#N 34a_100000185469_100000183359 [0,1,0,0,0,1|2,0,0]=4 4143 B14R1.5 CNC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000183359 [0,1,0,0,0,1|2,0,0]=4 4144 B14R1.5 CNC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000183359 [0,1,0,0,0,1|2,0,0]=4 4145 B14R1.5 CNC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000183359 [0,1,0,0,0,1|0,0,0]=2 4146 B14R1.5 CNC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000183359 [0,1,0,0,0,1|0,1,0]=3 4147 B14R1.5 CNC(=O)CNc1ccc(cn1)SC 27a_100000693194_100009820866 [0,1,0,0,0,1|1,1,0]=4 4148 B14R1.5 CNC(=O)CNc1ccc(nn1)OC 27a_100000693194_100010231723 [0,1,0,0,0,1|2,0,0]=4 4149 B14R1.5 CNC(=O)CNc1ncc(cn1)OC 27a_100000693194_100000069167 [0,1,0,0,0,1|2,0,0]=4 4150 B14R1.5 CNC(=O)COc1ccc(cc1)NC 2230a_100000752409_200000210301 [0,1,0,0,0,1|2,0,0]=4 4151 B14R1.5 CNC(=O)COc1ccc(cc1)NC 34a_100000182112_100000183359 [0,1,0,0,0,1|2,0,0]=4 4152 B14R1.5 CNC(=O)COc1ccc(cc1)NC 34a_100000752409_200000210301 [0,1,0,0,0,1|2,0,0]=4 4153 B14R1.5 CNC(=O)COc1ccc(cc1)N[13CH3] 2230a_100000752409_200025704644 [0,1,0,0,0,1|2,0,0]=4 4154 B14R1.5 CNC(=O)COc1ccc(cc1)N[13CH3] 34a_100000752409_200025704644 [0,1,0,0,0,1|2,0,0]=4 4155 B14R1.5 CNC(=O)COc1ccc(cc1)OC 11a_106832991635_100000186439 [0,1,0,0,0,1|1,0,0]=3 4156 B14R1.5 CNC(=O)COc1ccc(cc1)OC 1626a_100102657272_100000186439 [0,1,0,0,0,1|1,0,0]=3 4157 B14R1.5 CNC(=O)COc1ccc(cc1)OC 240690a_100102657272_100000186439 [0,1,0,0,0,1|1,0,0]=3 4158 B14R1.5 CNC(=O)COc1ccc(cc1)OC 34a_100000210503_100000183359 [0,1,0,0,0,1|1,0,0]=3 4159 B14R1.5 CNC(=O)COc1ccc(cc1)OC 527a_100102657272_100000186439 [0,1,0,0,0,1|1,0,0]=3 4160 B14R1.5 CNC(=O)COc1ccc(cc1)SC 34a_100000211864_100000183359 [0,1,0,0,0,1|1,1,0]=4 4161 B14R1.5 CNC(=O)COc1ccc(cc1)SC 62a_200000150405_200000210301 [0,1,0,0,0,1|1,1,0]=4 4162 B14R1.5 CNC(=O)COc1ccc(cc1)SC 62a_200000210301_200000150405 [0,1,0,0,0,1|1,1,0]=4 4163 B14R1.5 CNC(=O)COc1ccc(cc1)S[13CH3] 62a_200000150405_200025704644 [0,1,0,0,0,1|1,1,0]=4 4164 B14R1.5 CNC(=O)COc1ccc(cc1)S[13CH3] 62a_200025704644_200000150405 [0,1,0,0,0,1|1,1,0]=4 4165 B14R1.5 CNC(=O)COc1ccc(cn1)OC 34a_100012002028_100000183359 [0,1,0,0,0,1|2,0,0]=4 4166 B14R1.5 CNC(=O)COc1ccc(nc1)OC 34a_100011934560_100000183359 [0,1,0,0,0,1|2,0,0]=4 4167 B14R1.5 CNC(=O)CSc1ccc(cc1)NC 62a_100000183359_100000743151 [0,1,0,0,0,1|2,0,0]=4 4168 B14R1.5 CNC(=O)CSc1ccc(cc1)NC 62a_100000743151_100000183359 [0,1,0,0,0,1|2,0,0]=4 4169 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 11a_106832991635_100000182033 [0,1,0,0,0,1|1,0,0]=3 4170 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 1626a_100102657272_100000182033 [0,1,0,0,0,1|1,0,0]=3 4171 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 240690a_100102657272_100000182033 [0,1,0,0,0,1|1,0,0]=3 4172 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 527a_100102657272_100000182033 [0,1,0,0,0,1|1,0,0]=3 4173 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 62a_100000183359_100000171711 [0,1,0,0,0,1|1,0,0]=3 4174 B14R1.5 CNC(=O)CSc1ccc(cc1)SC 62a_100000183359_100011263217 [0,1,0,0,0,1|1,1,0]=4 4175 B14R1.5 CNC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000183359 [0,1,0,0,0,1|1,1,0]=4 4176 B14R1.5 CNC(=O)CSc1ccc(cn1)OC 62a_100000183359_100000744180 [0,1,0,0,0,1|2,0,0]=4 4177 B14R1.5 CNC(=O)CSc1ccc(cn1)OC 62a_100000755202_100000183359 [0,1,0,0,0,1|2,0,0]=4 4178 B14R1.5 CNC(=O)CSc1ccc(nc1)OC 62a_100000047065_100000183359 [0,1,0,0,0,1|2,0,0]=4 4179 B14R1.5 CNC(=O)CSc1ccc(nc1)OC 62a_100000183359_100000047065 [0,1,0,0,0,1|2,0,0]=4 4180 B14R1.5 CNC(=O)NCc1ccc(cc1)C#N 2708a_100015207190_106832991635 [0,1,0,0,0,1|2,0,0]=4 4181 B14R1.5 CNC(=O)NCc1ccc(cc1)C#N 2708a_100102657272_100015207190 [0,1,0,0,0,1|2,0,0]=4 4182 B14R1.5 CNC(=O)NCc1ccc(cc1)C#N 273464a_100015207190_100102657272 [0,1,0,0,0,1|2,0,0]=4 4183 B14R1.5 CNC(=O)NCc1ccc(cc1)C#N 273464a_100102657272_100015207190 [0,1,0,0,0,1|2,0,0]=4 4184 B14R1.5 CNC(=O)NCc1ccc(cc1)C#N 512a_100015207190_100102657272 [0,1,0,0,0,1|2,0,0]=4 4185 B14R1.5 CNC(=O)NCc1ccc(cc1)C#N 512a_106832991638_100015207190 [0,1,0,0,0,1|2,0,0]=4 4186 B14R1.5 CNC(=O)NCc1ccc(cc1)CO 2708a_100102657272_100015189231 [0,1,0,0,0,1|2,0,0]=4 4187 B14R1.5 CNC(=O)NCc1ccc(cc1)CO 273464a_100015189231_100102657272 [0,1,0,0,0,1|2,0,0]=4 4188 B14R1.5 CNC(=O)NCc1ccc(cc1)CO 273464a_100102657272_100015189231 [0,1,0,0,0,1|2,0,0]=4 4189 B14R1.5 CNC(=O)NCc1ccc(cc1)CO 512a_106832991638_100015189231 [0,1,0,0,0,1|2,0,0]=4 4190 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 2708a_100000185587_106832991635 [0,1,0,0,0,1|0,0,0]=2 4191 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 2708a_100102657272_100000185587 [0,1,0,0,0,1|0,0,0]=2 4192 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 273464a_100000185587_100102657272 [0,1,0,0,0,1|0,0,0]=2 4193 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 273464a_100102657272_100000185587 [0,1,0,0,0,1|0,0,0]=2 4194 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 512a_106832991638_100000185587 [0,1,0,0,0,1|0,0,0]=2 4195 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 2708a_100000174980_106832991635 [0,1,0,0,0,1|0,1,0]=3 4196 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 2708a_100102657272_100000174980 [0,1,0,0,0,1|0,1,0]=3 4197 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 273464a_100000174980_100102657272 [0,1,0,0,0,1|0,1,0]=3 4198 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 273464a_100102657272_100000174980 [0,1,0,0,0,1|0,1,0]=3 4199 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 512a_100000174980_100102657272 [0,1,0,0,0,1|0,1,0]=3 4200 B14R1.5 CNC(=O)NCc1ccc(cc1)SC 512a_106832991638_100000174980 [0,1,0,0,0,1|0,1,0]=3 4201 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 2708a_100000703904_106832991635 [0,1,0,0,0,1|1,0,0]=3 4202 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 2708a_100102657272_100000703904 [0,1,0,0,0,1|1,0,0]=3 4203 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 273464a_100000703904_100102657272 [0,1,0,0,0,1|1,0,0]=3 4204 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 273464a_100102657272_100000703904 [0,1,0,0,0,1|1,0,0]=3 4205 B14R1.5 CNC(=O)NCc1ccc(cn1)OC 512a_106832991638_100000703904 [0,1,0,0,0,1|1,0,0]=3 4206 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 2708a_100000241975_106832991635 [0,1,0,0,0,1|1,0,0]=3 4207 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 2708a_100102657272_100000241975 [0,1,0,0,0,1|1,0,0]=3 4208 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 273464a_100000241975_100102657272 [0,1,0,0,0,1|1,0,0]=3 4209 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 273464a_100102657272_100000241975 [0,1,0,0,0,1|1,0,0]=3 4210 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 512a_100000241975_100102657272 [0,1,0,0,0,1|1,0,0]=3 4211 B14R1.5 CNC(=O)NCc1ccc(nc1)OC 512a_106832991638_100000241975 [0,1,0,0,0,1|1,0,0]=3 4212 B14R1.5 CNC(=O)NNc1ccc(cc1)C#N 273464a_100102657272_100000739705 [0,1,0,0,0,1|2,0,0]=4 4213 B14R1.5 CNC(=O)NNc1ccc(cc1)C#N 512a_100000739705_100102657272 [0,1,0,0,0,1|2,0,0]=4 4214 B14R1.5 CNC(=O)NNc1ccc(cc1)C#N 512a_106832991638_100000739705 [0,1,0,0,0,1|2,0,0]=4 4215 B14R1.5 CNC(=O)NNc1ccc(cc1)OC 273464a_100102657272_100000005221 [0,1,0,0,0,1|0,0,0]=2 4216 B14R1.5 CNC(=O)NNc1ccc(cc1)OC 512a_106832991638_100000005221 [0,1,0,0,0,1|0,0,0]=2 4217 B14R1.5 CNC(=O)NNc1ccc(cc1)SC 273464a_100102657272_100000006515 [0,1,0,0,0,1|0,1,0]=3 4218 B14R1.5 CNC(=O)NNc1ccc(cc1)SC 512a_106832991638_100000006515 [0,1,0,0,0,1|0,1,0]=3 4219 B14R1.5 CNC(=O)NNc1ccc(nc1)OC 273464a_100102657272_100102564821 [0,1,0,0,0,1|1,0,0]=3 4220 B14R1.5 CNC(=O)NNc1ccc(nc1)OC 512a_106832991638_100102564821 [0,1,0,0,0,1|1,0,0]=3 4221 B14R1.5 CNc1ccc(cc1)OCC(=O)OC 34a_100000182112_100000747449 [0,1,0,0,0,1|2,0,0]=4 4222 B14R1.5 CNc1ccc(cc1)SCC(=O)OC 62a_100000743151_100000747449 [0,1,0,0,0,1|2,0,0]=4 4223 B14R1.5 CNc1ccc(cc1)SCC(=O)OC 62a_100000747449_100000743151 [0,1,0,0,0,1|2,0,0]=4 4224 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_100000148628_200000210301 [0,1,0,0,0,1|1,1,0]=4 4225 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_200000210301_100000148628 [0,1,0,0,0,1|1,1,0]=4 4226 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_100000148628_200025704644 [0,1,0,0,0,1|1,1,0]=4 4227 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100000148628 [0,1,0,0,0,1|1,1,0]=4 4228 B14R1.5 COC(=O)C#Cc1ccc(cc1)SC 62a_200000210301_100012100070 [0,1,0,0,0,1|1,1,0]=4 4229 B14R1.5 COC(=O)C#Cc1ccc(cc1)S[13CH3] 62a_200025704644_100012100070 [0,1,0,0,0,1|1,1,0]=4 4230 B14R1.5 COC(=O)C=Cc1ccc(cc1)OC 34a_100000151162_200000210301 [0,1,0,0,0,1|1,0,0]=3 4231 B14R1.5 COC(=O)C=Cc1ccc(cc1)O[13CH3] 34a_100000151162_200025704644 [0,1,0,0,0,1|1,0,0]=3 4232 B14R1.5 COC(=O)CCc1ccc(cc1)OC 34a_100000032826_200000210301 [0,1,0,0,0,1|1,0,0]=3 4233 B14R1.5 COC(=O)CCc1ccc(cc1)OC 7a_100000032826_200000210301 [0,1,0,0,0,1|1,0,0]=3 4234 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000032826_200025704644 [0,1,0,0,0,1|1,0,0]=3 4235 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000032826_200025704644 [0,1,0,0,0,1|1,0,0]=3 4236 B14R1.5 COC(=O)CCc1ccc(cc1)SC 62a_100012357364_200000210301 [0,1,0,0,0,1|1,1,0]=4 4237 B14R1.5 COC(=O)CCc1ccc(cc1)SC 62a_200000210301_100012357364 [0,1,0,0,0,1|1,1,0]=4 4238 B14R1.5 COC(=O)CCc1ccc(cc1)S[13CH3] 62a_100012357364_200025704644 [0,1,0,0,0,1|1,1,0]=4 4239 B14R1.5 COC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100012357364 [0,1,0,0,0,1|1,1,0]=4 4240 B14R1.5 COC(=O)CNc1ccc(cc1)C#N 34a_100000185469_100000747449 [0,1,0,0,0,1|2,0,0]=4 4241 B14R1.5 COC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747449 [0,1,0,0,0,1|2,0,0]=4 4242 B14R1.5 COC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000747449 [0,1,0,0,0,1|2,0,0]=4 4243 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000747449 [0,1,0,0,0,1|0,0,0]=2 4244 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100016989482_200000210301 [0,1,0,0,0,1|0,0,0]=2 4245 B14R1.5 COC(=O)CNc1ccc(cc1)O[13CH3] 34a_100016989482_200025704644 [0,1,0,0,0,1|0,0,0]=2 4246 B14R1.5 COC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000747449 [0,1,0,0,0,1|0,1,0]=3 4247 B14R1.5 COC(=O)COc1ccc(cc1)OC 34a_100000210503_100000747449 [0,1,0,0,0,1|1,0,0]=3 4248 B14R1.5 COC(=O)COc1ccc(cc1)SC 34a_100000211864_100000747449 [0,1,0,0,0,1|1,1,0]=4 4249 B14R1.5 COC(=O)COc1ccc(cc1)SC 62a_100000149925_200000210301 [0,1,0,0,0,1|1,1,0]=4 4250 B14R1.5 COC(=O)COc1ccc(cc1)SC 62a_200000210301_100000149925 [0,1,0,0,0,1|1,1,0]=4 4251 B14R1.5 COC(=O)COc1ccc(cc1)S[13CH3] 62a_100000149925_200025704644 [0,1,0,0,0,1|1,1,0]=4 4252 B14R1.5 COC(=O)COc1ccc(cc1)S[13CH3] 62a_200025704644_100000149925 [0,1,0,0,0,1|1,1,0]=4 4253 B14R1.5 COC(=O)COc1ccc(cn1)OC 34a_100012002028_100000747449 [0,1,0,0,0,1|2,0,0]=4 4254 B14R1.5 COC(=O)COc1ccc(nc1)OC 34a_100011934560_100000747449 [0,1,0,0,0,1|2,0,0]=4 4255 B14R1.5 COC(=O)CSc1ccc(cc1)OC 62a_100000747449_100000171711 [0,1,0,0,0,1|1,0,0]=3 4256 B14R1.5 COC(=O)CSc1ccc(cc1)SC 62a_100000747449_100011263217 [0,1,0,0,0,1|1,1,0]=4 4257 B14R1.5 COC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000747449 [0,1,0,0,0,1|1,1,0]=4 4258 B14R1.5 COC(=O)CSc1ccc(cn1)OC 62a_100000747449_100000744180 [0,1,0,0,0,1|2,0,0]=4 4259 B14R1.5 COC(=O)CSc1ccc(cn1)OC 62a_100000755202_100000747449 [0,1,0,0,0,1|2,0,0]=4 4260 B14R1.5 COC(=O)CSc1ccc(nc1)OC 62a_100000047065_100000747449 [0,1,0,0,0,1|2,0,0]=4 4261 B14R1.5 COC(=O)CSc1ccc(nc1)OC 62a_100000747449_100000047065 [0,1,0,0,0,1|2,0,0]=4 4262 B14R1.5 COc1ccc(cc1)C#CC(=O)CF 1458a_100000185621_100015361967 [0,1,0,0,0,1|1,0,0]=3 4263 B14R1.5 COc1ccc(cc1)C=CC(=O)CF 1458a_100000184205_100015361967 [0,1,0,0,0,1|1,0,0]=3 4264 B14R1.5 COc1ccc(cc1)CCC(=O)CF 1458a_100000211712_100015361967 [0,1,0,0,0,1|1,0,0]=3 4265 B14R1.5 COc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100000184700 [0,1,0,0,0,1|1,0,0]=3 4266 B14R1.5 COc1ccc(cc1)CCC(=O)NN 34a_100000048474_200000210301 [0,1,0,0,0,1|2,0,0]=4 4267 B14R1.5 COc1ccc(cc1)CNC(=O)CO 240690a_100000185587_100000210174 [0,1,0,0,0,1|0,0,0]=2 4268 B14R1.5 COc1ccc(cc1)CNC(=O)CO 527a_100000185587_100000210174 [0,1,0,0,0,1|0,0,0]=2 4269 B14R1.5 COc1ccc(cc1)CNC(C)C#N 2230a_100000737613_100000742318 [0,1,0,0,0,1|1,0,1]=4 4270 B14R1.5 COc1ccc(cc1)CNC(C)CO 34a_100000185587_100012180447 [0,1,0,0,0,1|0,0,2]=4 4271 B14R1.5 COc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000169835 [0,1,0,0,0,1|1,0,1]=4 4272 B14R1.5 COc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000169835 [0,1,0,0,0,1|1,0,1]=4 4273 B14R1.5 COc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000169835 [0,1,0,0,0,1|0,0,2]=4 4274 B14R1.5 COc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000742318 [0,1,0,0,0,1|0,0,2]=4 4275 B14R1.5 COc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000169835 [0,1,0,0,0,1|0,0,2]=4 4276 B14R1.5 COc1ccc(cc1)NCC(O)CO 34a_100000184247_100011219619 [0,1,0,0,0,1|0,0,2]=4 4277 B14R1.5 COc1ccc(cc1)NC[C@@H](C)CO 34a_100000184247_100000059175 [0,1,0,0,0,1|0,0,2]=4 4278 B14R1.5 COc1ccc(cc1)NC[C@@H](O)CF 34a_100000184247_100015614560 [0,1,0,0,0,1|0,0,2]=4 4279 B14R1.5 COc1ccc(cc1)NC[C@@H](O)CO 34a_100000184247_100009815848 [0,1,0,0,0,1|0,0,2]=4 4280 B14R1.5 COc1ccc(cc1)NN=C(C)CF 4a_100000005221_100000039719 [0,1,0,0,0,1|1,0,0]=3 4281 B14R1.5 COc1ccc(cc1)NN=C(C)CO 4a_100000005221_100000211253 [0,1,0,0,0,1|0,0,1]=3 4282 B14R1.5 COc1ccc(cc1)NNC(=O)CO 22a_100000005221_100000210174 [0,1,0,0,0,1|0,0,0]=2 4283 B14R1.5 COc1ccc(cc1)OCC(=O)CF 1458a_100000186439_100015361967 [0,1,0,0,0,1|1,0,0]=3 4284 B14R1.5 COc1ccc(cc1)SCC(=O)CF 1458a_100000182033_100015361967 [0,1,0,0,0,1|1,0,0]=3 4285 B14R1.5 COc1ccc(cn1)CNC(=O)CO 240690a_100000241975_100000210174 [0,1,0,0,0,1|1,0,0]=3 4286 B14R1.5 COc1ccc(cn1)CNC(=O)CO 527a_100000241975_100000210174 [0,1,0,0,0,1|1,0,0]=3 4287 B14R1.5 COc1ccc(cn1)NN=C(C)CF 4a_100102564821_100000039719 [0,1,0,0,0,1|2,0,0]=4 4288 B14R1.5 COc1ccc(cn1)NN=C(C)CO 4a_100102564821_100000211253 [0,1,0,0,0,1|1,0,1]=4 4289 B14R1.5 COc1ccc(cn1)NNC(=O)CO 22a_100102564821_100000210174 [0,1,0,0,0,1|1,0,0]=3 4290 B14R1.5 COc1ccc(nc1)CNC(=O)CO 240690a_100000703904_100000210174 [0,1,0,0,0,1|1,0,0]=3 4291 B14R1.5 COc1ccc(nc1)CNC(=O)CO 527a_100000703904_100000210174 [0,1,0,0,0,1|1,0,0]=3 4292 B14R1.5 CSc1ccc(cc1)C=CC(=O)CF 1458a_100102526083_100015361967 [0,1,0,0,0,1|1,1,0]=4 4293 B14R1.5 CSc1ccc(cc1)CCC(=O)CF 1458a_100011252364_100015361967 [0,1,0,0,0,1|1,1,0]=4 4294 B14R1.5 CSc1ccc(cc1)CNC(=O)CO 240690a_100000174980_100000210174 [0,1,0,0,0,1|0,1,0]=3 4295 B14R1.5 CSc1ccc(cc1)CNC(=O)CO 527a_100000174980_100000210174 [0,1,0,0,0,1|0,1,0]=3 4296 B14R1.5 CSc1ccc(cc1)NN=C(C)CF 4a_100000006515_100000039719 [0,1,0,0,0,1|1,1,0]=4 4297 B14R1.5 CSc1ccc(cc1)NN=C(C)CO 4a_100000006515_100000211253 [0,1,0,0,0,1|0,1,1]=4 4298 B14R1.5 CSc1ccc(cc1)NNC(=O)CO 22a_100000006515_100000210174 [0,1,0,0,0,1|0,1,0]=3 4299 B14R1.5 N#Cc1ccc(cc1)CNC(=O)CO 240690a_100015207190_100000210174 [0,1,0,0,0,1|2,0,0]=4 4300 B14R1.5 N#Cc1ccc(cc1)CNC(=O)CO 527a_100015207190_100000210174 [0,1,0,0,0,1|2,0,0]=4 4301 B14R1.5 N#Cc1ccc(cc1)NNC(=O)CO 22a_100000739705_100000210174 [0,1,0,0,0,1|2,0,0]=4 4302 B14R1.5 O=C(CO)NCc1ccc(cc1)CO 240690a_100015189231_100000210174 [0,1,0,0,0,1|2,0,0]=4 4303 B14R1.5 O=C(CO)NCc1ccc(cc1)CO 527a_100015189231_100000210174 [0,1,0,0,0,1|2,0,0]=4 4304 B14R1.5 [13CH3]Oc1ccc(cc1)CCC(=O)NN 34a_100000048474_200025704644 [0,1,0,0,0,1|2,0,0]=4 4305 B14R1.103 C=C(C)CNc1ccc(cc1Br)CC 2230a_100012339725_100000748629 [0,1,0,0,0,1|2,0,0]=4 4306 B14R1.103 C=C(C)CNc1ccc(cc1Br)CC 34a_100012339725_100000748629 [0,1,0,0,0,1|2,0,0]=4 4307 B14R1.103 C=C(C)CNc1ccc(cc1Br)OC 34a_100015195136_100000748629 [0,1,0,0,0,1|1,0,0]=3 4308 B14R1.103 C=C(C)CNc1ccc(cc1C)CC 2230a_100011226020_100000748629 [0,1,0,0,0,1|2,0,0]=4 4309 B14R1.103 C=C(C)CNc1ccc(cc1C)CC 34a_100011226020_100000748629 [0,1,0,0,0,1|2,0,0]=4 4310 B14R1.103 C=C(C)CNc1ccc(cc1C)CC 7a_100011226020_100000748629 [0,1,0,0,0,1|2,0,0]=4 4311 B14R1.103 C=C(C)CNc1ccc(cc1C)OC 34a_100000750285_100000748629 [0,1,0,0,0,1|1,0,0]=3 4312 B14R1.103 C=C(C)CNc1ccc(cc1Cl)OC 34a_100000747055_100000748629 [0,1,0,0,0,1|1,0,0]=3 4313 B14R1.103 C=C(C)CNc1ccc(cc1F)CC 2230a_100016177294_100000748629 [0,1,0,0,0,1|2,0,0]=4 4314 B14R1.103 C=C(C)CNc1ccc(cc1F)CC 34a_100016177294_100000748629 [0,1,0,0,0,1|2,0,0]=4 4315 B14R1.103 C=C(C)CNc1ccc(cc1F)OC 34a_100011299463_100000748629 [0,1,0,0,0,1|1,0,0]=3 4316 B14R1.103 C=C(C)CNc1ccc(cc1F)SC 34a_100012056844_100000748629 [0,1,0,0,0,1|1,1,0]=4 4317 B14R1.103 C=C(C)CNc1ccc(cc1I)OC 34a_100000049804_100000748629 [0,1,0,0,0,1|1,0,0]=3 4318 B14R1.103 C=C(C)CNc1ccc(cc1O)CC 34a_100000124328_100000748629 [0,1,0,0,0,1|2,0,0]=4 4319 B14R1.103 C=C(C)CNc1ccc(cc1O)OC 34a_100016989039_100000748629 [0,1,0,0,0,1|1,0,0]=3 4320 B14R1.103 C=C(C)COc1ccc(cc1Br)OC 34a_100000685887_100000748629 [0,1,0,0,0,1|2,0,0]=4 4321 B14R1.103 C=C(C)COc1ccc(cc1Br)OC 7a_100000685887_100000748629 [0,1,0,0,0,1|2,0,0]=4 4322 B14R1.103 C=C(C)COc1ccc(cc1C)OC 34a_100012002223_100000748629 [0,1,0,0,0,1|2,0,0]=4 4323 B14R1.103 C=C(C)COc1ccc(cc1C)OC 7a_100012002223_100000748629 [0,1,0,0,0,1|2,0,0]=4 4324 B14R1.103 C=C(C)COc1ccc(cc1Cl)OC 34a_100000038596_100000748629 [0,1,0,0,0,1|2,0,0]=4 4325 B14R1.103 C=C(C)COc1ccc(cc1Cl)OC 7a_100000038596_100000748629 [0,1,0,0,0,1|2,0,0]=4 4326 B14R1.103 C=C(C)COc1ccc(cc1F)OC 34a_100000036999_100000748629 [0,1,0,0,0,1|2,0,0]=4 4327 B14R1.103 C=C(C)COc1ccc(cc1F)OC 7a_100000036999_100000748629 [0,1,0,0,0,1|2,0,0]=4 4328 B14R1.103 C=C(C)COc1ccc(cc1N)OC 34a_100000188146_100000748629 [0,1,0,0,0,1|2,0,0]=4 4329 B14R1.103 C=C(C)CSc1ccc(cc1Br)OC 62a_100000748629_100012349170 [0,1,0,0,0,1|2,0,0]=4 4330 B14R1.103 C=C(C)CSc1ccc(cc1Br)OC 62a_100012349170_100000211660 [0,1,0,0,0,1|2,0,0]=4 4331 B14R1.103 C=C(C)CSc1ccc(cc1C)OC 62a_100000748629_100000759875 [0,1,0,0,0,1|2,0,0]=4 4332 B14R1.103 C=C(C)CSc1ccc(cc1C)OC 62a_100000759875_100000211660 [0,1,0,0,0,1|2,0,0]=4 4333 B14R1.103 C=C(C)CSc1ccc(cc1F)OC 62a_100000748629_100000753793 [0,1,0,0,0,1|2,0,0]=4 4334 B14R1.103 C=C(C)CSc1ccc(cc1F)OC 62a_100000753793_100000211660 [0,1,0,0,0,1|2,0,0]=4 4335 B14R1.103 C=C(C)CSc1ccc(cc1N)OC 62a_100000748021_100000211660 [0,1,0,0,0,1|2,0,0]=4 4336 B14R1.103 C=C(C)CSc1ccc(cc1N)OC 62a_100000748629_100000748021 [0,1,0,0,0,1|2,0,0]=4 4337 B14R1.103 C=C(C)CSc1ccc(cc1O)OC 62a_100000748629_100000719091 [0,1,0,0,0,1|2,0,0]=4 4338 B14R1.103 C=C(F)CNc1ccc(cc1Br)OC 34a_100015195136_100009893438 [0,1,0,0,0,1|1,0,1]=4 4339 B14R1.103 C=C(F)CNc1ccc(cc1C)OC 34a_100000750285_100009893438 [0,1,0,0,0,1|1,0,1]=4 4340 B14R1.103 C=C(F)CNc1ccc(cc1Cl)OC 34a_100000747055_100009893438 [0,1,0,0,0,1|1,0,1]=4 4341 B14R1.103 C=C(F)CNc1ccc(cc1F)OC 34a_100011299463_100009893438 [0,1,0,0,0,1|1,0,1]=4 4342 B14R1.103 C=C(F)CNc1ccc(cc1I)OC 34a_100000049804_100009893438 [0,1,0,0,0,1|1,0,1]=4 4343 B14R1.103 C=C(F)CNc1ccc(cc1O)OC 34a_100016989039_100009893438 [0,1,0,0,0,1|1,0,1]=4 4344 B14R1.103 CC(=O)NCc1ccc(cc1Br)C#N 11a_114948178924_100015343762 [0,1,0,0,0,1|2,0,0]=4 4345 B14R1.103 CC(=O)NCc1ccc(cc1Br)C#N 1626a_114948178924_100015343762 [0,1,0,0,0,1|2,0,0]=4 4346 B14R1.103 CC(=O)NCc1ccc(cc1Br)C#N 240690a_114948178924_100015343762 [0,1,0,0,0,1|2,0,0]=4 4347 B14R1.103 CC(=O)NCc1ccc(cc1Br)C#N 527a_114948178924_100103153847 [0,1,0,0,0,1|2,0,0]=4 4348 B14R1.103 CC(=O)NCc1ccc(cc1F)C#N 11a_100000749714_100015343762 [0,1,0,0,0,1|2,0,0]=4 4349 B14R1.103 CC(=O)NCc1ccc(cc1F)C#N 1626a_100000749714_100015343762 [0,1,0,0,0,1|2,0,0]=4 4350 B14R1.103 CC(=O)NCc1ccc(cc1F)C#N 240690a_100000749714_100015343762 [0,1,0,0,0,1|2,0,0]=4 4351 B14R1.103 CC(=O)NCc1ccc(cc1F)C#N 527a_100000749714_100103153847 [0,1,0,0,0,1|2,0,0]=4 4352 B14R1.103 CC(=O)NNc1ccc(cc1Cl)C#N 22a_200011218998_100000070787 [0,1,0,0,0,1|2,0,0]=4 4353 B14R1.103 CCc1ccc(c(c1)Br)NCC(=O)N 2230a_100012339725_100000747473 [0,1,0,0,0,1|2,0,0]=4 4354 B14R1.103 CCc1ccc(c(c1)Br)NCC(=O)N 34a_100012339725_100000187820 [0,1,0,0,0,1|2,0,0]=4 4355 B14R1.103 CCc1ccc(c(c1)Br)NCC(=O)[O-] 34a_100012339725_100020667443 [0,1,0,0,0,1|2,0,0]=4 4356 B14R1.103 CCc1ccc(c(c1)C)NCC(=O)N 2230a_100011226020_100000747473 [0,1,0,0,0,1|2,0,0]=4 4357 B14R1.103 CCc1ccc(c(c1)C)NCC(=O)N 34a_100011226020_100000187820 [0,1,0,0,0,1|2,0,0]=4 4358 B14R1.103 CCc1ccc(c(c1)C)NCC(=O)N 7a_100011226020_100000187820 [0,1,0,0,0,1|2,0,0]=4 4359 B14R1.103 CCc1ccc(c(c1)C)NCC(=O)[O-] 34a_100011226020_100020667443 [0,1,0,0,0,1|2,0,0]=4 4360 B14R1.103 CCc1ccc(c(c1)F)NCC(=O)N 2230a_100016177294_100000747473 [0,1,0,0,0,1|2,0,0]=4 4361 B14R1.103 CCc1ccc(c(c1)F)NCC(=O)N 34a_100016177294_100000187820 [0,1,0,0,0,1|2,0,0]=4 4362 B14R1.103 CCc1ccc(c(c1)F)NCC(=O)[O-] 34a_100016177294_100020667443 [0,1,0,0,0,1|2,0,0]=4 4363 B14R1.103 CCc1ccc(c(c1)O)NCC(=O)N 34a_100000124328_100000187820 [0,1,0,0,0,1|2,0,0]=4 4364 B14R1.103 CCc1ccc(c(c1)O)NCC(=O)[O-] 34a_100000124328_100020667443 [0,1,0,0,0,1|2,0,0]=4 4365 B14R1.103 COc1ccc(c(c1)Br)CNC(C)C 207a_100138425928_100000723261 [0,1,0,0,0,1|1,0,1]=4 4366 B14R1.103 COc1ccc(c(c1)Br)CNC(C)C 2230a_100138425928_100011982828 [0,1,0,0,0,1|1,0,1]=4 4367 B14R1.103 COc1ccc(c(c1)Br)CNC(C)C 34a_100138425928_100011982828 [0,1,0,0,0,1|1,0,1]=4 4368 B14R1.103 COc1ccc(c(c1)Br)NCC(=O)N 34a_100015195136_100000187820 [0,1,0,0,0,1|1,0,0]=3 4369 B14R1.103 COc1ccc(c(c1)Br)NCC(=O)[O-] 34a_100015195136_100020667443 [0,1,0,0,0,1|1,0,0]=3 4370 B14R1.103 COc1ccc(c(c1)Br)NCC(C)C 34a_100015195136_100000210624 [0,1,0,0,0,1|1,0,1]=4 4371 B14R1.103 COc1ccc(c(c1)Br)NCC(C)O 34a_100015195136_100011218427 [0,1,0,0,0,1|0,0,2]=4 4372 B14R1.103 COc1ccc(c(c1)Br)NC[C@@H](C)O 34a_100015195136_100009817552 [0,1,0,0,0,1|0,0,2]=4 4373 B14R1.103 COc1ccc(c(c1)Br)NC[N+](=O)[O-] 34a_100015195136_100000761209 [0,1,0,0,0,1|2,0,0]=4 4374 B14R1.103 COc1ccc(c(c1)Br)OCC(=O)N 34a_100000685887_100000187820 [0,1,0,0,0,1|2,0,0]=4 4375 B14R1.103 COc1ccc(c(c1)Br)OCC(=O)N 7a_100000685887_100000187820 [0,1,0,0,0,1|2,0,0]=4 4376 B14R1.103 COc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100000685887_100020667443 [0,1,0,0,0,1|2,0,0]=4 4377 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)N 62a_100000747473_100012349170 [0,1,0,0,0,1|2,0,0]=4 4378 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)N 62a_100012349170_100000747473 [0,1,0,0,0,1|2,0,0]=4 4379 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100012349170_100020667443 [0,1,0,0,0,1|2,0,0]=4 4380 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100020667443_100012349170 [0,1,0,0,0,1|2,0,0]=4 4381 B14R1.103 COc1ccc(c(c1)C)CNC(C)C 207a_100138425928_100011214997 [0,1,0,0,0,1|1,0,1]=4 4382 B14R1.103 COc1ccc(c(c1)C)NCC(=O)N 34a_100000750285_100000187820 [0,1,0,0,0,1|1,0,0]=3 4383 B14R1.103 COc1ccc(c(c1)C)NCC(=O)[O-] 34a_100000750285_100020667443 [0,1,0,0,0,1|1,0,0]=3 4384 B14R1.103 COc1ccc(c(c1)C)NCC(C)C 34a_100000750285_100000210624 [0,1,0,0,0,1|1,0,1]=4 4385 B14R1.103 COc1ccc(c(c1)C)NCC(C)O 34a_100000750285_100011218427 [0,1,0,0,0,1|0,0,2]=4 4386 B14R1.103 COc1ccc(c(c1)C)NC[C@@H](C)O 34a_100000750285_100009817552 [0,1,0,0,0,1|0,0,2]=4 4387 B14R1.103 COc1ccc(c(c1)C)NC[N+](=O)[O-] 34a_100000750285_100000761209 [0,1,0,0,0,1|2,0,0]=4 4388 B14R1.103 COc1ccc(c(c1)C)NNC(=O)C 22a_115082355441_100000070787 [0,1,0,0,0,1|0,0,0]=2 4389 B14R1.103 COc1ccc(c(c1)C)OCC(=O)N 34a_100012002223_100000187820 [0,1,0,0,0,1|2,0,0]=4 4390 B14R1.103 COc1ccc(c(c1)C)OCC(=O)N 7a_100012002223_100000187820 [0,1,0,0,0,1|2,0,0]=4 4391 B14R1.103 COc1ccc(c(c1)C)OCC(=O)[O-] 34a_100012002223_100020667443 [0,1,0,0,0,1|2,0,0]=4 4392 B14R1.103 COc1ccc(c(c1)C)SCC(=O)N 62a_100000747473_100000759875 [0,1,0,0,0,1|2,0,0]=4 4393 B14R1.103 COc1ccc(c(c1)C)SCC(=O)N 62a_100000759875_100000747473 [0,1,0,0,0,1|2,0,0]=4 4394 B14R1.103 COc1ccc(c(c1)C)SCC(=O)[O-] 62a_100000759875_100020667443 [0,1,0,0,0,1|2,0,0]=4 4395 B14R1.103 COc1ccc(c(c1)C)SCC(=O)[O-] 62a_100020667443_100000759875 [0,1,0,0,0,1|2,0,0]=4 4396 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 11a_100138410423_100015343762 [0,1,0,0,0,1|0,0,0]=2 4397 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 1626a_100138410423_100015343762 [0,1,0,0,0,1|0,0,0]=2 4398 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 240690a_100138410423_100015343762 [0,1,0,0,0,1|0,0,0]=2 4399 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 527a_100138410423_100103153847 [0,1,0,0,0,1|0,0,0]=2 4400 B14R1.103 COc1ccc(c(c1)Cl)CNC(C)C 207a_100138425928_100000235372 [0,1,0,0,0,1|1,0,1]=4 4401 B14R1.103 COc1ccc(c(c1)Cl)CNC(C)C 2230a_100138425928_200011830453 [0,1,0,0,0,1|1,0,1]=4 4402 B14R1.103 COc1ccc(c(c1)Cl)CNC(C)C 34a_100138410423_100000210206 [0,1,0,0,0,1|1,0,1]=4 4403 B14R1.103 COc1ccc(c(c1)Cl)CNC(C)C 34a_100138425928_200011830453 [0,1,0,0,0,1|1,0,1]=4 4404 B14R1.103 COc1ccc(c(c1)Cl)NCC(=O)N 34a_100000747055_100000187820 [0,1,0,0,0,1|1,0,0]=3 4405 B14R1.103 COc1ccc(c(c1)Cl)NCC(=O)[O-] 34a_100000747055_100020667443 [0,1,0,0,0,1|1,0,0]=3 4406 B14R1.103 COc1ccc(c(c1)Cl)NCC(C)C 34a_100000747055_100000210624 [0,1,0,0,0,1|1,0,1]=4 4407 B14R1.103 COc1ccc(c(c1)Cl)NCC(C)O 34a_100000747055_100011218427 [0,1,0,0,0,1|0,0,2]=4 4408 B14R1.103 COc1ccc(c(c1)Cl)NC[C@@H](C)O 34a_100000747055_100009817552 [0,1,0,0,0,1|0,0,2]=4 4409 B14R1.103 COc1ccc(c(c1)Cl)NC[N+](=O)[O-] 34a_100000747055_100000761209 [0,1,0,0,0,1|2,0,0]=4 4410 B14R1.103 COc1ccc(c(c1)Cl)OCC(=O)N 34a_100000038596_100000187820 [0,1,0,0,0,1|2,0,0]=4 4411 B14R1.103 COc1ccc(c(c1)Cl)OCC(=O)N 7a_100000038596_100000187820 [0,1,0,0,0,1|2,0,0]=4 4412 B14R1.103 COc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000038596_100020667443 [0,1,0,0,0,1|2,0,0]=4 4413 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)C 1458a_200102525171_200000210301 [0,1,0,0,0,1|1,0,0]=3 4414 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)[13CH3] 1458a_200102525171_200025704644 [0,1,0,0,0,1|1,0,0]=3 4415 B14R1.103 COc1ccc(c(c1)F)CCC(=O)C 1458a_200012180015_200000210301 [0,1,0,0,0,1|1,0,0]=3 4416 B14R1.103 COc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_200012180015_200025704644 [0,1,0,0,0,1|1,0,0]=3 4417 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 11a_100000687396_100015343762 [0,1,0,0,0,1|0,0,0]=2 4418 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 1626a_100000687396_100015343762 [0,1,0,0,0,1|0,0,0]=2 4419 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 240690a_100000687396_100015343762 [0,1,0,0,0,1|0,0,0]=2 4420 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 527a_100000687396_100103153847 [0,1,0,0,0,1|0,0,0]=2 4421 B14R1.103 COc1ccc(c(c1)F)CNC(C)C 207a_100138425928_100011216087 [0,1,0,0,0,1|1,0,1]=4 4422 B14R1.103 COc1ccc(c(c1)F)CNC(C)C 2230a_100138425928_100011260761 [0,1,0,0,0,1|1,0,1]=4 4423 B14R1.103 COc1ccc(c(c1)F)CNC(C)C 34a_100000687396_100000210206 [0,1,0,0,0,1|1,0,1]=4 4424 B14R1.103 COc1ccc(c(c1)F)CNC(C)C 34a_100138425928_100011260761 [0,1,0,0,0,1|1,0,1]=4 4425 B14R1.103 COc1ccc(c(c1)F)NCC(=O)N 34a_100011299463_100000187820 [0,1,0,0,0,1|1,0,0]=3 4426 B14R1.103 COc1ccc(c(c1)F)NCC(=O)[O-] 34a_100011299463_100020667443 [0,1,0,0,0,1|1,0,0]=3 4427 B14R1.103 COc1ccc(c(c1)F)NCC(C)C 34a_100011299463_100000210624 [0,1,0,0,0,1|1,0,1]=4 4428 B14R1.103 COc1ccc(c(c1)F)NCC(C)O 34a_100011299463_100011218427 [0,1,0,0,0,1|0,0,2]=4 4429 B14R1.103 COc1ccc(c(c1)F)NC[C@@H](C)O 34a_100011299463_100009817552 [0,1,0,0,0,1|0,0,2]=4 4430 B14R1.103 COc1ccc(c(c1)F)NC[N+](=O)[O-] 34a_100011299463_100000761209 [0,1,0,0,0,1|2,0,0]=4 4431 B14R1.103 COc1ccc(c(c1)F)NNC(=O)C 22a_100015191252_100000070787 [0,1,0,0,0,1|0,0,0]=2 4432 B14R1.103 COc1ccc(c(c1)F)OCC(=O)N 34a_100000036999_100000187820 [0,1,0,0,0,1|2,0,0]=4 4433 B14R1.103 COc1ccc(c(c1)F)OCC(=O)N 7a_100000036999_100000187820 [0,1,0,0,0,1|2,0,0]=4 4434 B14R1.103 COc1ccc(c(c1)F)OCC(=O)[O-] 34a_100000036999_100020667443 [0,1,0,0,0,1|2,0,0]=4 4435 B14R1.103 COc1ccc(c(c1)F)SCC(=O)N 62a_100000747473_100000753793 [0,1,0,0,0,1|2,0,0]=4 4436 B14R1.103 COc1ccc(c(c1)F)SCC(=O)N 62a_100000753793_100000747473 [0,1,0,0,0,1|2,0,0]=4 4437 B14R1.103 COc1ccc(c(c1)F)SCC(=O)[O-] 62a_100000753793_100020667443 [0,1,0,0,0,1|2,0,0]=4 4438 B14R1.103 COc1ccc(c(c1)F)SCC(=O)[O-] 62a_100020667443_100000753793 [0,1,0,0,0,1|2,0,0]=4 4439 B14R1.103 COc1ccc(c(c1)I)CNC(C)C 207a_100138425928_100010159643 [0,1,0,0,0,1|1,0,1]=4 4440 B14R1.103 COc1ccc(c(c1)I)NCC(=O)N 34a_100000049804_100000187820 [0,1,0,0,0,1|1,0,0]=3 4441 B14R1.103 COc1ccc(c(c1)I)NCC(=O)[O-] 34a_100000049804_100020667443 [0,1,0,0,0,1|1,0,0]=3 4442 B14R1.103 COc1ccc(c(c1)I)NCC(C)C 34a_100000049804_100000210624 [0,1,0,0,0,1|1,0,1]=4 4443 B14R1.103 COc1ccc(c(c1)I)NCC(C)O 34a_100000049804_100011218427 [0,1,0,0,0,1|0,0,2]=4 4444 B14R1.103 COc1ccc(c(c1)I)NC[C@@H](C)O 34a_100000049804_100009817552 [0,1,0,0,0,1|0,0,2]=4 4445 B14R1.103 COc1ccc(c(c1)I)NC[N+](=O)[O-] 34a_100000049804_100000761209 [0,1,0,0,0,1|2,0,0]=4 4446 B14R1.103 COc1ccc(c(c1)N)OCC(=O)N 34a_100000188146_100000187820 [0,1,0,0,0,1|2,0,0]=4 4447 B14R1.103 COc1ccc(c(c1)N)OCC(=O)[O-] 34a_100000188146_100020667443 [0,1,0,0,0,1|2,0,0]=4 4448 B14R1.103 COc1ccc(c(c1)N)SCC(=O)N 62a_100000747473_100000748021 [0,1,0,0,0,1|2,0,0]=4 4449 B14R1.103 COc1ccc(c(c1)N)SCC(=O)N 62a_100000748021_100000747473 [0,1,0,0,0,1|2,0,0]=4 4450 B14R1.103 COc1ccc(c(c1)N)SCC(=O)[O-] 62a_100000748021_100020667443 [0,1,0,0,0,1|2,0,0]=4 4451 B14R1.103 COc1ccc(c(c1)N)SCC(=O)[O-] 62a_100020667443_100000748021 [0,1,0,0,0,1|2,0,0]=4 4452 B14R1.103 COc1ccc(c(c1)O)NCC(=O)N 34a_100016989039_100000187820 [0,1,0,0,0,1|1,0,0]=3 4453 B14R1.103 COc1ccc(c(c1)O)NCC(=O)[O-] 34a_100016989039_100020667443 [0,1,0,0,0,1|1,0,0]=3 4454 B14R1.103 COc1ccc(c(c1)O)NCC(C)C 34a_100016989039_100000210624 [0,1,0,0,0,1|1,0,1]=4 4455 B14R1.103 COc1ccc(c(c1)O)NCC(C)O 34a_100016989039_100011218427 [0,1,0,0,0,1|0,0,2]=4 4456 B14R1.103 COc1ccc(c(c1)O)NC[C@@H](C)O 34a_100016989039_100009817552 [0,1,0,0,0,1|0,0,2]=4 4457 B14R1.103 COc1ccc(c(c1)O)NC[N+](=O)[O-] 34a_100016989039_100000761209 [0,1,0,0,0,1|2,0,0]=4 4458 B14R1.103 COc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100000719091 [0,1,0,0,0,1|2,0,0]=4 4459 B14R1.103 COc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100000719091 [0,1,0,0,0,1|2,0,0]=4 4460 B14R1.103 COc1cnc(c(c1)C)CNC(=O)C 11a_200009843444_100015343762 [0,1,0,0,0,1|1,0,0]=3 4461 B14R1.103 COc1cnc(c(c1)C)CNC(=O)C 1626a_200009843444_100015343762 [0,1,0,0,0,1|1,0,0]=3 4462 B14R1.103 COc1cnc(c(c1)C)CNC(=O)C 240690a_200009843444_100015343762 [0,1,0,0,0,1|1,0,0]=3 4463 B14R1.103 COc1cnc(c(c1)C)CNC(=O)C 527a_200009843444_100103153847 [0,1,0,0,0,1|1,0,0]=3 4464 B14R1.103 CSc1ccc(c(c1)F)NCC(=O)N 34a_100012056844_100000187820 [0,1,0,0,0,1|1,1,0]=4 4465 B14R1.103 CSc1ccc(c(c1)F)NCC(=O)[O-] 34a_100012056844_100020667443 [0,1,0,0,0,1|1,1,0]=4 4466 B14R1.142 C=C(C)CNc1ccc(cc1)CCC 2230a_100000211780_100000748629 [0,1,0,0,0,1|2,0,0]=4 4467 B14R1.142 C=C(C)CNc1ccc(cc1)CCC 34a_100000211780_100000748629 [0,1,0,0,0,1|2,0,0]=4 4468 B14R1.142 C=C(C)CNc1ccc(cc1)CCO 2230a_100011204434_100000748629 [0,1,0,0,0,1|2,0,0]=4 4469 B14R1.142 C=C(C)CNc1ccc(cc1)CCO 34a_100011204434_100000748629 [0,1,0,0,0,1|2,0,0]=4 4470 B14R1.142 C=C(C)CNc1ccc(cc1)COC 34a_100000694113_100000748629 [0,1,0,0,0,1|1,0,0]=3 4471 B14R1.142 C=C(C)CNc1ccc(cc1)CSC 2230a_106726388226_100000748629 [0,1,0,0,0,1|1,1,0]=4 4472 B14R1.142 C=C(C)CNc1ccc(cc1)CSC 34a_106726388226_100000748629 [0,1,0,0,0,1|1,1,0]=4 4473 B14R1.142 C=C(C)CNc1ccc(cc1)CSC 7a_106726388226_100000748629 [0,1,0,0,0,1|1,1,0]=4 4474 B14R1.142 C=C(C)CNc1ccc(cc1)OCC 2230a_100000739623_100000748629 [0,1,0,0,0,1|1,0,0]=3 4475 B14R1.142 C=C(C)CNc1ccc(cc1)OCC 34a_100000739623_100000748629 [0,1,0,0,0,1|1,0,0]=3 4476 B14R1.142 C=C(C)CNc1ccc(cc1)SCC 34a_100015187087_100000748629 [0,1,0,0,0,1|1,1,0]=4 4477 B14R1.142 C=C(C)COc1ccc(cc1)COC 34a_100000173090_200000210301 [0,1,0,0,0,1|2,0,0]=4 4478 B14R1.142 C=C(C)COc1ccc(cc1)COC 34a_200011995677_100000748629 [0,1,0,0,0,1|2,0,0]=4 4479 B14R1.142 C=C(C)COc1ccc(cc1)COC 7a_100000173090_200000210301 [0,1,0,0,0,1|2,0,0]=4 4480 B14R1.142 C=C(C)COc1ccc(cc1)COC 7a_200011995677_100000748629 [0,1,0,0,0,1|2,0,0]=4 4481 B14R1.142 C=C(C)COc1ccc(cc1)CO[13CH3] 34a_100000173090_200025704644 [0,1,0,0,0,1|2,0,0]=4 4482 B14R1.142 C=C(C)COc1ccc(cc1)CO[13CH3] 7a_100000173090_200025704644 [0,1,0,0,0,1|2,0,0]=4 4483 B14R1.142 C=C(C)COc1ccc(cc1)OCC 34a_100000185467_100000748629 [0,1,0,0,0,1|2,0,0]=4 4484 B14R1.142 C=C(C)CSc1ccc(cc1)COC 62a_100000748629_100011493685 [0,1,0,0,0,1|2,0,0]=4 4485 B14R1.142 C=C(C)CSc1ccc(cc1)COC 62a_100011493685_100000211660 [0,1,0,0,0,1|2,0,0]=4 4486 B14R1.142 C=C(C)CSc1ccc(cc1)OCC 62a_100000748629_100000171712 [0,1,0,0,0,1|2,0,0]=4 4487 B14R1.142 C=C(F)CNc1ccc(cc1)COC 34a_100000694113_100009893438 [0,1,0,0,0,1|1,0,1]=4 4488 B14R1.142 C=C(F)CNc1ccc(cc1)OCC 2230a_100000739623_100009893438 [0,1,0,0,0,1|1,0,1]=4 4489 B14R1.142 C=C(F)CNc1ccc(cc1)OCC 34a_100000739623_100009893438 [0,1,0,0,0,1|1,0,1]=4 4490 B14R1.142 C=C=Cc1ccc(cc1)CNC(=O)C 271570a_100015277604_200000685173 [0,1,0,0,0,1|1,0,1]=4 4491 B14R1.142 C=C=Cc1ccc(cc1)NNC(=O)C 271570a_100015277604_200009815283 [0,1,0,0,0,1|1,0,1]=4 4492 B14R1.142 CC(=O)/C=C/c1ccc(cc1)OCF 34a_100000189429_100015361967 [0,1,0,0,0,1|1,0,0]=3 4493 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_100015361967_200016259395 [0,1,0,0,0,1|1,1,0]=4 4494 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_200016259395_100015361967 [0,1,0,0,0,1|1,1,0]=4 4495 B14R1.142 CC(=O)CCc1ccc(cc1)OCF 34a_100000198047_100015361967 [0,1,0,0,0,1|1,0,0]=3 4496 B14R1.142 CC(=O)CCc1ccc(cc1)OCF 7a_100000198047_100015361967 [0,1,0,0,0,1|1,0,0]=3 4497 B14R1.142 CC(=O)CCc1ccc(cc1)SCF 62a_100000723691_100015361967 [0,1,0,0,0,1|1,1,0]=4 4498 B14R1.142 CC(=O)CCc1ccc(cc1)SCF 62a_100015361967_100000723691 [0,1,0,0,0,1|1,1,0]=4 4499 B14R1.142 CC(=O)NCc1ccc(cc1)NCF 34a_100000755463_100015361967 [0,1,0,0,0,1|1,0,0]=3 4500 B14R1.142 CC(=O)NCc1ccc(cc1)SCF 62a_100015361967_200000685173 [0,1,0,0,0,1|0,1,0]=3 4501 B14R1.142 CC(=O)NCc1ccc(cc1)SCF 62a_200000685173_100015361967 [0,1,0,0,0,1|0,1,0]=3 4502 B14R1.142 CC(=O)NNc1ccc(cc1)SCF 62a_100015361967_200009815283 [0,1,0,0,0,1|0,1,0]=3 4503 B14R1.142 CC(=O)NNc1ccc(cc1)SCF 62a_200009815283_100015361967 [0,1,0,0,0,1|0,1,0]=3 4504 B14R1.142 CC(=O)NNc1ccc(cn1)SCF 62a_100015361967_200010175596 [0,1,0,0,0,1|1,1,0]=4 4505 B14R1.142 CC(=O)NNc1ccc(cn1)SCF 62a_200010175596_100015361967 [0,1,0,0,0,1|1,1,0]=4 4506 B14R1.142 CC=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100016259895_200016259395 [0,1,0,0,0,1|2,0,0]=4 4507 B14R1.142 CC=Cc1ccc(cc1)CCC(=O)C 271570a_100016259895_100000723691 [0,1,0,0,0,1|2,0,0]=4 4508 B14R1.142 CC=Cc1ccc(cc1)CNC(=O)C 271570a_100016259895_200000685173 [0,1,0,0,0,1|1,0,0]=3 4509 B14R1.142 CC=Cc1ccc(cc1)NNC(=O)C 271570a_100016259895_200009815283 [0,1,0,0,0,1|1,0,0]=3 4510 B14R1.142 CC=Cc1ccc(nc1)NNC(=O)C 271570a_100016259895_200010175596 [0,1,0,0,0,1|2,0,0]=4 4511 B14R1.142 CCCc1ccc(cc1)CNC(=O)C 11a_100020632977_100015343762 [0,1,0,0,0,1|1,0,0]=3 4512 B14R1.142 CCCc1ccc(cc1)CNC(=O)C 1626a_100020632977_100015343762 [0,1,0,0,0,1|1,0,0]=3 4513 B14R1.142 CCCc1ccc(cc1)CNC(=O)C 240690a_100020632977_100015343762 [0,1,0,0,0,1|1,0,0]=3 4514 B14R1.142 CCCc1ccc(cc1)CNC(=O)C 527a_100020632977_100103153847 [0,1,0,0,0,1|1,0,0]=3 4515 B14R1.142 CCCc1ccc(cc1)NCC(=O)N 2230a_100000211780_100000747473 [0,1,0,0,0,1|2,0,0]=4 4516 B14R1.142 CCCc1ccc(cc1)NCC(=O)N 34a_100000211780_100000187820 [0,1,0,0,0,1|2,0,0]=4 4517 B14R1.142 CCCc1ccc(cc1)NCC(=O)[O-] 34a_100000211780_100020667443 [0,1,0,0,0,1|2,0,0]=4 4518 B14R1.142 CCCc1ccc(cc1)NNC(=O)C 22a_100015306804_100000070787 [0,1,0,0,0,1|1,0,0]=3 4519 B14R1.142 CCNc1ccc(cc1)CNC(=O)C 34a_100000755463_100000210202 [0,1,0,0,0,1|1,0,0]=3 4520 B14R1.142 CCNc1ccc(cc1)CNC(=O)N 34a_100000747042_100000210202 [0,1,0,0,0,1|2,0,0]=4 4521 B14R1.142 CCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100000210202 [0,1,0,0,0,1|1,0,0]=3 4522 B14R1.142 CCOc1ccc(cc1)C=CC(=O)C 1458a_100000690215_200000210301 [0,1,0,0,0,1|1,0,0]=3 4523 B14R1.142 CCOc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000690215_200025704644 [0,1,0,0,0,1|1,0,0]=3 4524 B14R1.142 CCOc1ccc(cc1)CCC(=O)C 1458a_100000743745_200000210301 [0,1,0,0,0,1|1,0,0]=3 4525 B14R1.142 CCOc1ccc(cc1)CCC(=O)C 34a_100000198047_100000210202 [0,1,0,0,0,1|1,0,0]=3 4526 B14R1.142 CCOc1ccc(cc1)CCC(=O)C 7a_100000198047_100000210202 [0,1,0,0,0,1|1,0,0]=3 4527 B14R1.142 CCOc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000743745_200025704644 [0,1,0,0,0,1|1,0,0]=3 4528 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 11a_100000185588_100015343762 [0,1,0,0,0,1|0,0,0]=2 4529 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 1626a_100000185588_100015343762 [0,1,0,0,0,1|0,0,0]=2 4530 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 240690a_100000185588_100015343762 [0,1,0,0,0,1|0,0,0]=2 4531 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 527a_100000185588_100103153847 [0,1,0,0,0,1|0,0,0]=2 4532 B14R1.142 CCOc1ccc(cc1)CNC(C)C 207a_100138425928_100000169836 [0,1,0,0,0,1|1,0,1]=4 4533 B14R1.142 CCOc1ccc(cc1)CNC(C)C 2230a_100000185588_100000210206 [0,1,0,0,0,1|1,0,1]=4 4534 B14R1.142 CCOc1ccc(cc1)CNC(C)C 34a_100000185588_100000210206 [0,1,0,0,0,1|1,0,1]=4 4535 B14R1.142 CCOc1ccc(cc1)NCC(=O)N 2230a_100000739623_100000747473 [0,1,0,0,0,1|1,0,0]=3 4536 B14R1.142 CCOc1ccc(cc1)NCC(=O)N 34a_100000739623_100000187820 [0,1,0,0,0,1|1,0,0]=3 4537 B14R1.142 CCOc1ccc(cc1)NCC(=O)[O-] 34a_100000739623_100020667443 [0,1,0,0,0,1|1,0,0]=3 4538 B14R1.142 CCOc1ccc(cc1)NCC(C)C 2230a_100000739623_100000210760 [0,1,0,0,0,1|1,0,1]=4 4539 B14R1.142 CCOc1ccc(cc1)NCC(C)C 34a_100000739623_100000210624 [0,1,0,0,0,1|1,0,1]=4 4540 B14R1.142 CCOc1ccc(cc1)NCC(C)O 2230a_100000739623_100011218427 [0,1,0,0,0,1|0,0,2]=4 4541 B14R1.142 CCOc1ccc(cc1)NCC(C)O 34a_100000739623_100011218427 [0,1,0,0,0,1|0,0,2]=4 4542 B14R1.142 CCOc1ccc(cc1)NC[C@@H](C)O 2230a_100000739623_100009817552 [0,1,0,0,0,1|0,0,2]=4 4543 B14R1.142 CCOc1ccc(cc1)NC[C@@H](C)O 34a_100000739623_100009817552 [0,1,0,0,0,1|0,0,2]=4 4544 B14R1.142 CCOc1ccc(cc1)NC[N+](=O)[O-] 34a_100000739623_100000761209 [0,1,0,0,0,1|2,0,0]=4 4545 B14R1.142 CCOc1ccc(cc1)NNC(=O)C 22a_100000738955_100000070787 [0,1,0,0,0,1|0,0,0]=2 4546 B14R1.142 CCOc1ccc(cc1)OCC(=O)C 1458a_100000183567_200000210301 [0,1,0,0,0,1|1,0,0]=3 4547 B14R1.142 CCOc1ccc(cc1)OCC(=O)N 34a_100000185467_100000187820 [0,1,0,0,0,1|2,0,0]=4 4548 B14R1.142 CCOc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000183567_200025704644 [0,1,0,0,0,1|1,0,0]=3 4549 B14R1.142 CCOc1ccc(cc1)OCC(=O)[O-] 34a_100000185467_100020667443 [0,1,0,0,0,1|2,0,0]=4 4550 B14R1.142 CCOc1ccc(cc1)SCC(=O)C 1458a_100000016182_200000210301 [0,1,0,0,0,1|1,0,0]=3 4551 B14R1.142 CCOc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171712 [0,1,0,0,0,1|2,0,0]=4 4552 B14R1.142 CCOc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000016182_200025704644 [0,1,0,0,0,1|1,0,0]=3 4553 B14R1.142 CCOc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171712 [0,1,0,0,0,1|2,0,0]=4 4554 B14R1.142 CCOc1ccc(cn1)CNC(=O)C 11a_100102710506_100015343762 [0,1,0,0,0,1|1,0,0]=3 4555 B14R1.142 CCOc1ccc(cn1)CNC(=O)C 1626a_100102710506_100015343762 [0,1,0,0,0,1|1,0,0]=3 4556 B14R1.142 CCOc1ccc(cn1)CNC(=O)C 240690a_100102710506_100015343762 [0,1,0,0,0,1|1,0,0]=3 4557 B14R1.142 CCOc1ccc(cn1)CNC(=O)C 527a_100102710506_100103153847 [0,1,0,0,0,1|1,0,0]=3 4558 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_100000210202_200016259395 [0,1,0,0,0,1|1,1,0]=4 4559 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_100000210202 [0,1,0,0,0,1|1,1,0]=4 4560 B14R1.142 CCSc1ccc(cc1)CCC(=O)C 62a_100000210202_100000723691 [0,1,0,0,0,1|1,1,0]=4 4561 B14R1.142 CCSc1ccc(cc1)CCC(=O)C 62a_100000723691_100000210202 [0,1,0,0,0,1|1,1,0]=4 4562 B14R1.142 CCSc1ccc(cc1)CNC(=O)C 62a_100000210202_200000685173 [0,1,0,0,0,1|0,1,0]=3 4563 B14R1.142 CCSc1ccc(cc1)CNC(=O)C 62a_200000685173_100000210202 [0,1,0,0,0,1|0,1,0]=3 4564 B14R1.142 CCSc1ccc(cc1)NCC(=O)N 34a_100015187087_100000187820 [0,1,0,0,0,1|1,1,0]=4 4565 B14R1.142 CCSc1ccc(cc1)NCC(=O)[O-] 34a_100015187087_100020667443 [0,1,0,0,0,1|1,1,0]=4 4566 B14R1.142 CCSc1ccc(cc1)NNC(=O)C 62a_100000210202_200009815283 [0,1,0,0,0,1|0,1,0]=3 4567 B14R1.142 CCSc1ccc(cc1)NNC(=O)C 62a_200009815283_100000210202 [0,1,0,0,0,1|0,1,0]=3 4568 B14R1.142 CCSc1ccc(nc1)NNC(=O)C 62a_100000210202_200010175596 [0,1,0,0,0,1|1,1,0]=4 4569 B14R1.142 CCSc1ccc(nc1)NNC(=O)C 62a_200010175596_100000210202 [0,1,0,0,0,1|1,1,0]=4 4570 B14R1.142 CNCc1ccc(cc1)/C=C/C(=O)C 26a_100102657272_100000189429 [0,1,0,0,0,1|2,0,0]=4 4571 B14R1.142 COCc1ccc(cc1)CNC(=O)C 11a_100000738208_100015343762 [0,1,0,0,0,1|0,0,0]=2 4572 B14R1.142 COCc1ccc(cc1)CNC(=O)C 1626a_100000738208_100015343762 [0,1,0,0,0,1|0,0,0]=2 4573 B14R1.142 COCc1ccc(cc1)CNC(=O)C 240690a_100000738208_100015343762 [0,1,0,0,0,1|0,0,0]=2 4574 B14R1.142 COCc1ccc(cc1)CNC(=O)C 527a_100000738208_100103153847 [0,1,0,0,0,1|0,0,0]=2 4575 B14R1.142 COCc1ccc(cc1)CNC(C)C 2230a_100000738208_100000210206 [0,1,0,0,0,1|1,0,1]=4 4576 B14R1.142 COCc1ccc(cc1)CNC(C)C 34a_100000738208_100000210206 [0,1,0,0,0,1|1,0,1]=4 4577 B14R1.142 COCc1ccc(cc1)NCC(=O)N 34a_100000694113_100000187820 [0,1,0,0,0,1|1,0,0]=3 4578 B14R1.142 COCc1ccc(cc1)NCC(=O)[O-] 34a_100000694113_100020667443 [0,1,0,0,0,1|1,0,0]=3 4579 B14R1.142 COCc1ccc(cc1)NCC(C)C 34a_100000694113_100000210624 [0,1,0,0,0,1|1,0,1]=4 4580 B14R1.142 COCc1ccc(cc1)NCC(C)O 34a_100000694113_100011218427 [0,1,0,0,0,1|0,0,2]=4 4581 B14R1.142 COCc1ccc(cc1)NC[C@@H](C)O 34a_100000694113_100009817552 [0,1,0,0,0,1|0,0,2]=4 4582 B14R1.142 COCc1ccc(cc1)NC[N+](=O)[O-] 34a_100000694113_100000761209 [0,1,0,0,0,1|2,0,0]=4 4583 B14R1.142 COCc1ccc(cc1)OCC(=O)N 34a_200011995677_100000187820 [0,1,0,0,0,1|2,0,0]=4 4584 B14R1.142 COCc1ccc(cc1)OCC(=O)N 7a_200011995677_100000187820 [0,1,0,0,0,1|2,0,0]=4 4585 B14R1.142 COCc1ccc(cc1)OCC(=O)[O-] 34a_200011995677_100020667443 [0,1,0,0,0,1|2,0,0]=4 4586 B14R1.142 COCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011493685 [0,1,0,0,0,1|2,0,0]=4 4587 B14R1.142 COCc1ccc(cc1)SCC(=O)N 62a_100011493685_100000747473 [0,1,0,0,0,1|2,0,0]=4 4588 B14R1.142 COCc1ccc(cc1)SCC(=O)[O-] 62a_100011493685_100020667443 [0,1,0,0,0,1|2,0,0]=4 4589 B14R1.142 COCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011493685 [0,1,0,0,0,1|2,0,0]=4 4590 B14R1.142 CSCc1ccc(cc1)NCC(=O)N 2230a_106726388226_100000747473 [0,1,0,0,0,1|1,1,0]=4 4591 B14R1.142 CSCc1ccc(cc1)NCC(=O)N 34a_106726388226_100000187820 [0,1,0,0,0,1|1,1,0]=4 4592 B14R1.142 CSCc1ccc(cc1)NCC(=O)N 7a_106726388226_100000187820 [0,1,0,0,0,1|1,1,0]=4 4593 B14R1.142 CSCc1ccc(cc1)NCC(=O)[O-] 34a_106726388226_100020667443 [0,1,0,0,0,1|1,1,0]=4 4594 B14R1.142 NC(=O)CNc1ccc(cc1)CCO 2230a_100011204434_100000747473 [0,1,0,0,0,1|2,0,0]=4 4595 B14R1.142 NC(=O)CNc1ccc(cc1)CCO 34a_100011204434_100000187820 [0,1,0,0,0,1|2,0,0]=4 4596 B14R1.142 NC(=O)NCc1ccc(cc1)NCF 34a_100000747042_100015361967 [0,1,0,0,0,1|2,0,0]=4 4597 B14R1.142 O=C([O-])CNc1ccc(cc1)CCO 34a_100011204434_100020667443 [0,1,0,0,0,1|2,0,0]=4 4598 B14R1.211 CC(C)(C)NCc1ccc(cc1)O[13CH3] 7a_100000744446_200025704644 [0,1,0,0,0,1|1,0,1]=4 4599 B14R1.211 CCc1ccc(cc1)CNS(=O)(=O)C 40a_100000721222_100000738038 [0,1,0,0,0,1|2,0,0]=4 4600 B14R1.211 CCc1ccc(cc1)NNS(=O)(=O)C 40a_100015204395_100000738038 [0,1,0,0,0,1|2,0,0]=4 4601 B14R1.211 COc1ccc(cc1)CNC(C)(C)C 207a_100000715429_100000169835 [0,1,0,0,0,1|1,0,1]=4 4602 B14R1.211 COc1ccc(cc1)CNC(C)(C)C 2230a_100000715429_100000742318 [0,1,0,0,0,1|1,0,1]=4 4603 B14R1.211 COc1ccc(cc1)CNC(C)(C)C 34a_100000185587_100000210625 [0,1,0,0,0,1|1,0,1]=4 4604 B14R1.211 COc1ccc(cc1)CNC(C)(C)C 7a_100000744446_200000210301 [0,1,0,0,0,1|1,0,1]=4 4605 B14R1.211 COc1ccc(cc1)CNS(=O)(=O)C 40a_100000185587_100000738038 [0,1,0,0,0,1|1,0,0]=3 4606 B14R1.211 COc1ccc(cc1)NCC(C)(C)C 34a_100000184247_100011219605 [0,1,0,0,0,1|1,0,1]=4 4607 B14R1.211 COc1ccc(cc1)NCC(C)(C)F 34a_100000184247_100011997219 [0,1,0,0,0,1|1,0,1]=4 4608 B14R1.211 COc1ccc(cc1)NCC(C)(C)O 34a_100000184247_100000764493 [0,1,0,0,0,1|0,0,2]=4 4609 B14R1.211 COc1ccc(cc1)NCS(=O)(=O)[O-] 34a_100000184247_100009817235 [0,1,0,0,0,1|2,0,0]=4 4610 B14R1.211 COc1ccc(cc1)NNS(=O)(=O)C 40a_100000005221_100000738038 [0,1,0,0,0,1|1,0,0]=3 4611 B14R1.211 COc1ccc(cn1)CNS(=O)(=O)C 40a_100000241975_100000738038 [0,1,0,0,0,1|2,0,0]=4 4612 B14R1.211 COc1ccc(cn1)NNS(=O)(=O)C 40a_100102564821_100000738038 [0,1,0,0,0,1|2,0,0]=4 4613 B14R1.211 COc1ccc(nc1)CNS(=O)(=O)C 40a_100000703904_100000738038 [0,1,0,0,0,1|2,0,0]=4 4614 B14R1.211 CSc1ccc(cc1)CNS(=O)(=O)C 40a_100000174980_100000738038 [0,1,0,0,0,1|1,1,0]=4 4615 B14R1.211 CSc1ccc(cc1)NNS(=O)(=O)C 40a_100000006515_100000738038 [0,1,0,0,0,1|1,1,0]=4 4616 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)C 2230a_100000210773_100000748629 [0,1,0,0,0,1|2,0,0]=4 4617 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)C 34a_100000210773_100000748629 [0,1,0,0,0,1|2,0,0]=4 4618 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)C 7a_100000210773_100000748629 [0,1,0,0,0,1|2,0,0]=4 4619 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)O 2230a_100011216399_100000748629 [0,1,0,0,0,1|2,0,0]=4 4620 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)O 34a_100011216399_100000748629 [0,1,0,0,0,1|2,0,0]=4 4621 B14R1.419 C=C(C)CNc1ccc(cc1)N(C)C 34a_100016997997_100000748629 [0,1,0,0,0,1|2,0,0]=4 4622 B14R1.419 C=C(C)c1ccc(cc1)/C=C/C(=O)C 271570a_100000694244_200016259395 [0,1,0,0,0,1|2,0,0]=4 4623 B14R1.419 C=C(C)c1ccc(cc1)CCC(=O)C 271570a_100000694244_100000723691 [0,1,0,0,0,1|2,0,0]=4 4624 B14R1.419 C=C(C)c1ccc(cc1)CNC(=O)C 271570a_100000694244_200000685173 [0,1,0,0,0,1|1,0,0]=3 4625 B14R1.419 C=C(C)c1ccc(cc1)NNC(=O)C 271570a_100000694244_200009815283 [0,1,0,0,0,1|1,0,0]=3 4626 B14R1.419 C=C(C)c1ccc(nc1)NNC(=O)C 271570a_100000694244_200010175596 [0,1,0,0,0,1|2,0,0]=4 4627 B14R1.419 CC(=O)C=Cc1ccc(cc1)C(C)C 1458a_100000185018_200000210301 [0,1,0,0,0,1|2,0,0]=4 4628 B14R1.419 CC(=O)C=Cc1ccc(cc1)N(C)C 1458a_100016270256_200000210301 [0,1,0,0,0,1|2,0,0]=4 4629 B14R1.419 CC(=O)CCc1ccc(cc1)C(=O)C 1458a_100000070787_200000038727 [0,1,0,0,0,1|2,0,0]=4 4630 B14R1.419 CC(=O)CCc1ccc(cc1)C(C)C 1458a_100000234928_200000210301 [0,1,0,0,0,1|2,0,0]=4 4631 B14R1.419 CC(=O)CCc1ccc(cc1)N(C)C 1458a_100000205957_200000210301 [0,1,0,0,0,1|2,0,0]=4 4632 B14R1.419 CC(=O)COc1ccc(cc1)C(C)C 1458a_100000189144_200000210301 [0,1,0,0,0,1|2,0,0]=4 4633 B14R1.419 CC(=O)CSc1ccc(cc1)C(C)C 1458a_100000740577_200000210301 [0,1,0,0,0,1|2,0,0]=4 4634 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)C 1458a_100000193300_200000210301 [0,1,0,0,0,1|1,0,0]=3 4635 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)N 11a_100000185037_100015343762 [0,1,0,0,0,1|2,0,0]=4 4636 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)N 1626a_100000185037_100015343762 [0,1,0,0,0,1|2,0,0]=4 4637 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)N 240690a_100000185037_100015343762 [0,1,0,0,0,1|2,0,0]=4 4638 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)N 527a_100000185037_100103153847 [0,1,0,0,0,1|2,0,0]=4 4639 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)[13CH3] 1458a_100000193300_200025704644 [0,1,0,0,0,1|1,0,0]=3 4640 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 11a_100000174979_100015343762 [0,1,0,0,0,1|1,0,0]=3 4641 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 1626a_100000174979_100015343762 [0,1,0,0,0,1|1,0,0]=3 4642 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 240690a_100000174979_100015343762 [0,1,0,0,0,1|1,0,0]=3 4643 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 527a_100000174979_100103153847 [0,1,0,0,0,1|1,0,0]=3 4644 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)O 240690a_200000048501_100015343762 [0,1,0,0,0,1|1,0,0]=3 4645 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)O 527a_200000048501_100103153847 [0,1,0,0,0,1|1,0,0]=3 4646 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 11a_100025706676_100015343762 [0,1,0,0,0,1|2,0,0]=4 4647 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 1626a_100025706676_100015343762 [0,1,0,0,0,1|2,0,0]=4 4648 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 240690a_100025706676_100015343762 [0,1,0,0,0,1|2,0,0]=4 4649 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 527a_100025706676_100103153847 [0,1,0,0,0,1|2,0,0]=4 4650 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 11a_100000199032_100015343762 [0,1,0,0,0,1|1,0,0]=3 4651 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 1626a_100000199032_100015343762 [0,1,0,0,0,1|1,0,0]=3 4652 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 240690a_100000199032_100015343762 [0,1,0,0,0,1|1,0,0]=3 4653 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 527a_100000199032_100103153847 [0,1,0,0,0,1|1,0,0]=3 4654 B14R1.419 CC(=O)NCc1ccc(cc1)[N+](=O)[O-] 11a_100000742766_100015343762 [0,1,0,0,0,1|2,0,0]=4 4655 B14R1.419 CC(=O)NCc1ccc(cc1)[N+](=O)[O-] 240690a_100000742766_100015343762 [0,1,0,0,0,1|2,0,0]=4 4656 B14R1.419 CC(=O)NCc1ccc(cc1)[N+](=O)[O-] 527a_100000742766_100103153847 [0,1,0,0,0,1|2,0,0]=4 4657 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 11a_100000738136_100015343762 [0,1,0,0,0,1|2,0,0]=4 4658 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 1626a_100000738136_100015343762 [0,1,0,0,0,1|2,0,0]=4 4659 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 240690a_100000738136_100015343762 [0,1,0,0,0,1|2,0,0]=4 4660 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 527a_100000738136_100103153847 [0,1,0,0,0,1|2,0,0]=4 4661 B14R1.419 CC(=O)NNc1ccc(cc1)C(C)C 22a_100000005945_100000070787 [0,1,0,0,0,1|1,0,0]=3 4662 B14R1.419 CC(=O)NNc1ccc(cc1)N(C)C 22a_100134618393_100000070787 [0,1,0,0,0,1|1,0,0]=3 4663 B14R1.419 CC(=O)NNc1ccc(cc1)[N+](=O)[O-] 22a_100000006255_100000070787 [0,1,0,0,0,1|2,0,0]=4 4664 B14R1.419 CC(=O)OCc1ccc(cc1)C(=O)C 1458a_100000006716_200000210301 [0,1,0,0,0,1|2,0,0]=4 4665 B14R1.419 CC(=O)OCc1ccc(cc1)C(=O)[13CH3] 1458a_100000006716_200025704644 [0,1,0,0,0,1|2,0,0]=4 4666 B14R1.419 CC(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000185018_200025704644 [0,1,0,0,0,1|2,0,0]=4 4667 B14R1.419 CC(C)c1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234928_200025704644 [0,1,0,0,0,1|2,0,0]=4 4668 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)N 2230a_100000210773_100000747473 [0,1,0,0,0,1|2,0,0]=4 4669 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)N 34a_100000210773_100000187820 [0,1,0,0,0,1|2,0,0]=4 4670 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)N 7a_100000210773_100000187820 [0,1,0,0,0,1|2,0,0]=4 4671 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)[O-] 34a_100000210773_100020667443 [0,1,0,0,0,1|2,0,0]=4 4672 B14R1.419 CC(C)c1ccc(cc1)OCC(=O)[13CH3] 1458a_100000189144_200025704644 [0,1,0,0,0,1|2,0,0]=4 4673 B14R1.419 CC(C)c1ccc(cc1)SCC(=O)[13CH3] 1458a_100000740577_200025704644 [0,1,0,0,0,1|2,0,0]=4 4674 B14R1.419 CC(O)c1ccc(cc1)NCC(=O)N 2230a_100011216399_100000747473 [0,1,0,0,0,1|2,0,0]=4 4675 B14R1.419 CC(O)c1ccc(cc1)NCC(=O)N 34a_100011216399_100000187820 [0,1,0,0,0,1|2,0,0]=4 4676 B14R1.419 CC(O)c1ccc(cc1)NCC(=O)[O-] 34a_100011216399_100020667443 [0,1,0,0,0,1|2,0,0]=4 4677 B14R1.419 CN(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100016270256_200025704644 [0,1,0,0,0,1|2,0,0]=4 4678 B14R1.419 CN(C)c1ccc(cc1)CCC(=O)[13CH3] 1458a_100000205957_200025704644 [0,1,0,0,0,1|2,0,0]=4 4679 B14R1.419 CN(C)c1ccc(cc1)NCC(=O)N 34a_100016997997_100000187820 [0,1,0,0,0,1|2,0,0]=4 4680 B14R1.419 CN(C)c1ccc(cc1)NCC(=O)[O-] 34a_100016997997_100020667443 [0,1,0,0,0,1|2,0,0]=4 4681 B14R1.3653 C=C(C)CNc1ccc(c(c1)Br)OC 34a_100000187427_100000748629 [0,1,0,0,0,1|1,0,0]=3 4682 B14R1.3653 C=C(C)CNc1ccc(c(c1)C)OC 2230a_100000743268_100000748629 [0,1,0,0,0,1|1,0,0]=3 4683 B14R1.3653 C=C(C)CNc1ccc(c(c1)C)OC 34a_100000743268_100000748629 [0,1,0,0,0,1|1,0,0]=3 4684 B14R1.3653 C=C(C)CNc1ccc(c(c1)C)OC 7a_100000743268_100000748629 [0,1,0,0,0,1|1,0,0]=3 4685 B14R1.3653 C=C(C)CNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000748629 [0,1,0,0,0,1|2,0,0]=4 4686 B14R1.3653 C=C(C)CNc1ccc(c(c1)Cl)CC 34a_100000766362_100000748629 [0,1,0,0,0,1|2,0,0]=4 4687 B14R1.3653 C=C(C)CNc1ccc(c(c1)Cl)CC 7a_100000766362_100000748629 [0,1,0,0,0,1|2,0,0]=4 4688 B14R1.3653 C=C(C)CNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000748629 [0,1,0,0,0,1|1,0,0]=3 4689 B14R1.3653 C=C(C)CNc1ccc(c(c1)Cl)OC 34a_100000211044_100000748629 [0,1,0,0,0,1|1,0,0]=3 4690 B14R1.3653 C=C(C)CNc1ccc(c(c1)F)OC 2230a_100000740183_100000748629 [0,1,0,0,0,1|1,0,0]=3 4691 B14R1.3653 C=C(C)CNc1ccc(c(c1)F)OC 34a_100000740183_100000748629 [0,1,0,0,0,1|1,0,0]=3 4692 B14R1.3653 C=C(C)CNc1ccc(c(c1)F)SC 2230a_100000762756_100000748629 [0,1,0,0,0,1|1,1,0]=4 4693 B14R1.3653 C=C(C)CNc1ccc(c(c1)F)SC 34a_100000762756_100000748629 [0,1,0,0,0,1|1,1,0]=4 4694 B14R1.3653 C=C(C)CNc1ccc(c(c1)I)OC 34a_100011356947_100000748629 [0,1,0,0,0,1|1,0,0]=3 4695 B14R1.3653 C=C(C)CNc1ccc(c(c1)O)OC 34a_100000211920_100000748629 [0,1,0,0,0,1|1,0,0]=3 4696 B14R1.3653 C=C(C)CNc1ccc(c(n1)F)OC 27a_100000765925_100010138636 [0,1,0,0,0,1|2,0,0]=4 4697 B14R1.3653 C=C(C)COc1ccc(c(c1)Br)OC 34a_100010234764_100000748629 [0,1,0,0,0,1|2,0,0]=4 4698 B14R1.3653 C=C(C)COc1ccc(c(c1)Br)OC 7a_100010234764_100000748629 [0,1,0,0,0,1|2,0,0]=4 4699 B14R1.3653 C=C(C)COc1ccc(c(c1)C)OC 34a_100000759738_100000748629 [0,1,0,0,0,1|2,0,0]=4 4700 B14R1.3653 C=C(C)COc1ccc(c(c1)C)OC 7a_100000759738_100000748629 [0,1,0,0,0,1|2,0,0]=4 4701 B14R1.3653 C=C(C)COc1ccc(c(c1)Cl)OC 34a_200009861682_100000748629 [0,1,0,0,0,1|2,0,0]=4 4702 B14R1.3653 C=C(C)COc1ccc(c(c1)Cl)OC 7a_200009861682_100000748629 [0,1,0,0,0,1|2,0,0]=4 4703 B14R1.3653 C=C(C)COc1ccc(c(c1)F)OC 34a_100000746305_100000748629 [0,1,0,0,0,1|2,0,0]=4 4704 B14R1.3653 C=C(C)COc1ccc(c(c1)F)OC 7a_100000746305_100000748629 [0,1,0,0,0,1|2,0,0]=4 4705 B14R1.3653 C=C(C)COc1ccc(c(c1)I)OC 34a_100010084122_100000748629 [0,1,0,0,0,1|2,0,0]=4 4706 B14R1.3653 C=C(C)COc1ccc(c(c1)I)OC 7a_100010084122_100000748629 [0,1,0,0,0,1|2,0,0]=4 4707 B14R1.3653 C=C(C)CSc1ccc(c(c1)Br)OC 62a_100000748629_100011249507 [0,1,0,0,0,1|2,0,0]=4 4708 B14R1.3653 C=C(C)CSc1ccc(c(c1)Br)OC 62a_100011249507_100000211660 [0,1,0,0,0,1|2,0,0]=4 4709 B14R1.3653 C=C(C)CSc1ccc(c(c1)C)OC 62a_100000748629_100011219705 [0,1,0,0,0,1|2,0,0]=4 4710 B14R1.3653 C=C(C)CSc1ccc(c(c1)C)OC 62a_100011219705_100000211660 [0,1,0,0,0,1|2,0,0]=4 4711 B14R1.3653 C=C(C)CSc1ccc(c(c1)Cl)OC 62a_100000748629_100012355395 [0,1,0,0,0,1|2,0,0]=4 4712 B14R1.3653 C=C(C)CSc1ccc(c(c1)Cl)OC 62a_100012355395_100000211660 [0,1,0,0,0,1|2,0,0]=4 4713 B14R1.3653 C=C(C)CSc1ccc(c(c1)F)OC 62a_100000171752_100000211660 [0,1,0,0,0,1|2,0,0]=4 4714 B14R1.3653 C=C(C)CSc1ccc(c(c1)F)OC 62a_100000748629_100000171752 [0,1,0,0,0,1|2,0,0]=4 4715 B14R1.3653 C=C(C)CSc1ccc(c(c1)N)OC 62a_100000748629_100011249504 [0,1,0,0,0,1|2,0,0]=4 4716 B14R1.3653 C=C(C)CSc1ccc(c(c1)N)OC 62a_100011249504_100000211660 [0,1,0,0,0,1|2,0,0]=4 4717 B14R1.3653 C=C(C)CSc1ccc(c(c1)O)OC 62a_100000748629_100009816560 [0,1,0,0,0,1|2,0,0]=4 4718 B14R1.3653 C=C(F)CNc1ccc(c(c1)Br)OC 34a_100000187427_100009893438 [0,1,0,0,0,1|1,0,1]=4 4719 B14R1.3653 C=C(F)CNc1ccc(c(c1)C)OC 2230a_100000743268_100009893438 [0,1,0,0,0,1|1,0,1]=4 4720 B14R1.3653 C=C(F)CNc1ccc(c(c1)C)OC 34a_100000743268_100009893438 [0,1,0,0,0,1|1,0,1]=4 4721 B14R1.3653 C=C(F)CNc1ccc(c(c1)C)OC 7a_100000743268_100000042424 [0,1,0,0,0,1|1,0,1]=4 4722 B14R1.3653 C=C(F)CNc1ccc(c(c1)Cl)OC 2230a_100000211044_100009893438 [0,1,0,0,0,1|1,0,1]=4 4723 B14R1.3653 C=C(F)CNc1ccc(c(c1)Cl)OC 34a_100000211044_100009893438 [0,1,0,0,0,1|1,0,1]=4 4724 B14R1.3653 C=C(F)CNc1ccc(c(c1)F)OC 2230a_100000740183_100009893438 [0,1,0,0,0,1|1,0,1]=4 4725 B14R1.3653 C=C(F)CNc1ccc(c(c1)F)OC 34a_100000740183_100009893438 [0,1,0,0,0,1|1,0,1]=4 4726 B14R1.3653 C=C(F)CNc1ccc(c(c1)I)OC 34a_100011356947_100009893438 [0,1,0,0,0,1|1,0,1]=4 4727 B14R1.3653 C=C(F)CNc1ccc(c(c1)O)OC 34a_100000211920_100009893438 [0,1,0,0,0,1|1,0,1]=4 4728 B14R1.3653 CC(=O)NCc1ccc(c(c1)F)C#N 11a_100015204769_100015343762 [0,1,0,0,0,1|2,0,0]=4 4729 B14R1.3653 CC(=O)NCc1ccc(c(c1)F)C#N 1626a_100015204769_100015343762 [0,1,0,0,0,1|2,0,0]=4 4730 B14R1.3653 CC(=O)NCc1ccc(c(c1)F)C#N 240690a_100015204769_100015343762 [0,1,0,0,0,1|2,0,0]=4 4731 B14R1.3653 CC(=O)NCc1ccc(c(c1)F)C#N 527a_100015204769_100103153847 [0,1,0,0,0,1|2,0,0]=4 4732 B14R1.3653 CC(=O)NNc1ccc(c(c1)Br)C#N 22a_200012354828_100000070787 [0,1,0,0,0,1|2,0,0]=4 4733 B14R1.3653 CC(=O)NNc1ccc(c(c1)Cl)C#N 22a_100000700970_100000070787 [0,1,0,0,0,1|2,0,0]=4 4734 B14R1.3653 CC(=O)NNc1ccc(c(c1)F)C#N 22a_100000089633_100000070787 [0,1,0,0,0,1|2,0,0]=4 4735 B14R1.3653 CCc1ccc(cc1Cl)NCC(=O)N 2230a_100000766362_100000747473 [0,1,0,0,0,1|2,0,0]=4 4736 B14R1.3653 CCc1ccc(cc1Cl)NCC(=O)N 34a_100000766362_100000187820 [0,1,0,0,0,1|2,0,0]=4 4737 B14R1.3653 CCc1ccc(cc1Cl)NCC(=O)N 7a_100000766362_100000187820 [0,1,0,0,0,1|2,0,0]=4 4738 B14R1.3653 CCc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000766362_100020667443 [0,1,0,0,0,1|2,0,0]=4 4739 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)C 1458a_200000186738_200000210301 [0,1,0,0,0,1|1,0,0]=3 4740 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)[13CH3] 1458a_200000186738_200025704644 [0,1,0,0,0,1|1,0,0]=3 4741 B14R1.3653 COc1ccc(cc1Br)CCC(=O)C 1458a_100000736731_200000210301 [0,1,0,0,0,1|1,0,0]=3 4742 B14R1.3653 COc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100000736731_200025704644 [0,1,0,0,0,1|1,0,0]=3 4743 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 11a_100159240714_100015343762 [0,1,0,0,0,1|0,0,0]=2 4744 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 1626a_100159240714_100015343762 [0,1,0,0,0,1|0,0,0]=2 4745 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 240690a_100159240714_100015343762 [0,1,0,0,0,1|0,0,0]=2 4746 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 527a_100159240714_100103153847 [0,1,0,0,0,1|0,0,0]=2 4747 B14R1.3653 COc1ccc(cc1Br)CNC(C)C 207a_100138425928_100000173361 [0,1,0,0,0,1|1,0,1]=4 4748 B14R1.3653 COc1ccc(cc1Br)CNC(C)C 2230a_100138425928_200011397701 [0,1,0,0,0,1|1,0,1]=4 4749 B14R1.3653 COc1ccc(cc1Br)CNC(C)C 34a_100138425928_200011397701 [0,1,0,0,0,1|1,0,1]=4 4750 B14R1.3653 COc1ccc(cc1Br)CNC(C)C 34a_100159240714_100000210206 [0,1,0,0,0,1|1,0,1]=4 4751 B14R1.3653 COc1ccc(cc1Br)NCC(=O)N 34a_100000187427_100000187820 [0,1,0,0,0,1|1,0,0]=3 4752 B14R1.3653 COc1ccc(cc1Br)NCC(=O)[O-] 34a_100000187427_100020667443 [0,1,0,0,0,1|1,0,0]=3 4753 B14R1.3653 COc1ccc(cc1Br)NCC(C)C 34a_100000187427_100000210624 [0,1,0,0,0,1|1,0,1]=4 4754 B14R1.3653 COc1ccc(cc1Br)NCC(C)O 34a_100000187427_100011218427 [0,1,0,0,0,1|0,0,2]=4 4755 B14R1.3653 COc1ccc(cc1Br)NC[C@@H](C)O 34a_100000187427_100009817552 [0,1,0,0,0,1|0,0,2]=4 4756 B14R1.3653 COc1ccc(cc1Br)NC[N+](=O)[O-] 34a_100000187427_100000761209 [0,1,0,0,0,1|2,0,0]=4 4757 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 34a_100010234764_100000187820 [0,1,0,0,0,1|2,0,0]=4 4758 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 7a_100010234764_100000187820 [0,1,0,0,0,1|2,0,0]=4 4759 B14R1.3653 COc1ccc(cc1Br)OCC(=O)[O-] 34a_100010234764_100020667443 [0,1,0,0,0,1|2,0,0]=4 4760 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011249507 [0,1,0,0,0,1|2,0,0]=4 4761 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100011249507_100000747473 [0,1,0,0,0,1|2,0,0]=4 4762 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100011249507_100020667443 [0,1,0,0,0,1|2,0,0]=4 4763 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011249507 [0,1,0,0,0,1|2,0,0]=4 4764 B14R1.3653 COc1ccc(cc1C)C=CC(=O)C 1458a_100116352456_200000210301 [0,1,0,0,0,1|1,0,0]=3 4765 B14R1.3653 COc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100116352456_200025704644 [0,1,0,0,0,1|1,0,0]=3 4766 B14R1.3653 COc1ccc(cc1C)CCC(=O)C 1458a_100011616661_200000210301 [0,1,0,0,0,1|1,0,0]=3 4767 B14R1.3653 COc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011616661_200025704644 [0,1,0,0,0,1|1,0,0]=3 4768 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 11a_100102679029_100015343762 [0,1,0,0,0,1|0,0,0]=2 4769 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 1626a_100102679029_100015343762 [0,1,0,0,0,1|0,0,0]=2 4770 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 240690a_100102679029_100015343762 [0,1,0,0,0,1|0,0,0]=2 4771 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 527a_100102679029_100103153847 [0,1,0,0,0,1|0,0,0]=2 4772 B14R1.3653 COc1ccc(cc1C)CNC(C)C 207a_100138425928_100000239718 [0,1,0,0,0,1|1,0,1]=4 4773 B14R1.3653 COc1ccc(cc1C)CNC(C)C 2230a_100102679029_100000210206 [0,1,0,0,0,1|1,0,1]=4 4774 B14R1.3653 COc1ccc(cc1C)CNC(C)C 2230a_100138425928_200011290836 [0,1,0,0,0,1|1,0,1]=4 4775 B14R1.3653 COc1ccc(cc1C)CNC(C)C 34a_100102679029_100000210206 [0,1,0,0,0,1|1,0,1]=4 4776 B14R1.3653 COc1ccc(cc1C)CNC(C)C 34a_100138425928_200011290836 [0,1,0,0,0,1|1,0,1]=4 4777 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 2230a_100000743268_100000747473 [0,1,0,0,0,1|1,0,0]=3 4778 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 34a_100000743268_100000187820 [0,1,0,0,0,1|1,0,0]=3 4779 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 7a_100000743268_100000187820 [0,1,0,0,0,1|1,0,0]=3 4780 B14R1.3653 COc1ccc(cc1C)NCC(=O)[O-] 34a_100000743268_100020667443 [0,1,0,0,0,1|1,0,0]=3 4781 B14R1.3653 COc1ccc(cc1C)NCC(C)C 2230a_100000743268_100000210760 [0,1,0,0,0,1|1,0,1]=4 4782 B14R1.3653 COc1ccc(cc1C)NCC(C)C 34a_100000743268_100000210624 [0,1,0,0,0,1|1,0,1]=4 4783 B14R1.3653 COc1ccc(cc1C)NCC(C)C 7a_100000743268_100000210760 [0,1,0,0,0,1|1,0,1]=4 4784 B14R1.3653 COc1ccc(cc1C)NCC(C)O 2230a_100000743268_100011218427 [0,1,0,0,0,1|0,0,2]=4 4785 B14R1.3653 COc1ccc(cc1C)NCC(C)O 34a_100000743268_100011218427 [0,1,0,0,0,1|0,0,2]=4 4786 B14R1.3653 COc1ccc(cc1C)NCC(C)O 7a_100000743268_100011218427 [0,1,0,0,0,1|0,0,2]=4 4787 B14R1.3653 COc1ccc(cc1C)NC[C@@H](C)O 2230a_100000743268_100009817552 [0,1,0,0,0,1|0,0,2]=4 4788 B14R1.3653 COc1ccc(cc1C)NC[C@@H](C)O 34a_100000743268_100009817552 [0,1,0,0,0,1|0,0,2]=4 4789 B14R1.3653 COc1ccc(cc1C)NC[C@@H](C)O 7a_100000743268_100009817552 [0,1,0,0,0,1|0,0,2]=4 4790 B14R1.3653 COc1ccc(cc1C)NC[N+](=O)[O-] 34a_100000743268_100000761209 [0,1,0,0,0,1|2,0,0]=4 4791 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 34a_100000759738_100000187820 [0,1,0,0,0,1|2,0,0]=4 4792 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 7a_100000759738_100000187820 [0,1,0,0,0,1|2,0,0]=4 4793 B14R1.3653 COc1ccc(cc1C)OCC(=O)[O-] 34a_100000759738_100020667443 [0,1,0,0,0,1|2,0,0]=4 4794 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011219705 [0,1,0,0,0,1|2,0,0]=4 4795 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100011219705_100000747473 [0,1,0,0,0,1|2,0,0]=4 4796 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100011219705_100020667443 [0,1,0,0,0,1|2,0,0]=4 4797 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011219705 [0,1,0,0,0,1|2,0,0]=4 4798 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)C 1458a_100000735007_200000210301 [0,1,0,0,0,1|1,0,0]=3 4799 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)[13CH3] 1458a_100000735007_200025704644 [0,1,0,0,0,1|1,0,0]=3 4800 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)C 1458a_100000735577_200000210301 [0,1,0,0,0,1|1,0,0]=3 4801 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)[13CH3] 1458a_100000735577_200025704644 [0,1,0,0,0,1|1,0,0]=3 4802 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 11a_100000008799_100015343762 [0,1,0,0,0,1|0,0,0]=2 4803 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 1626a_100000008799_100015343762 [0,1,0,0,0,1|0,0,0]=2 4804 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 240690a_100000008799_100015343762 [0,1,0,0,0,1|0,0,0]=2 4805 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 527a_100000008799_100103153847 [0,1,0,0,0,1|0,0,0]=2 4806 B14R1.3653 COc1ccc(cc1Cl)CNC(C)C 207a_100138425928_100000186747 [0,1,0,0,0,1|1,0,1]=4 4807 B14R1.3653 COc1ccc(cc1Cl)CNC(C)C 2230a_100000008799_100000210206 [0,1,0,0,0,1|1,0,1]=4 4808 B14R1.3653 COc1ccc(cc1Cl)CNC(C)C 2230a_100138425928_100000693707 [0,1,0,0,0,1|1,0,1]=4 4809 B14R1.3653 COc1ccc(cc1Cl)CNC(C)C 34a_100000008799_100000210206 [0,1,0,0,0,1|1,0,1]=4 4810 B14R1.3653 COc1ccc(cc1Cl)CNC(C)C 34a_100138425928_100000693707 [0,1,0,0,0,1|1,0,1]=4 4811 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 2230a_100000211044_100000747473 [0,1,0,0,0,1|1,0,0]=3 4812 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 34a_100000211044_100000187820 [0,1,0,0,0,1|1,0,0]=3 4813 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000211044_100020667443 [0,1,0,0,0,1|1,0,0]=3 4814 B14R1.3653 COc1ccc(cc1Cl)NCC(C)C 2230a_100000211044_100000210760 [0,1,0,0,0,1|1,0,1]=4 4815 B14R1.3653 COc1ccc(cc1Cl)NCC(C)C 34a_100000211044_100000210624 [0,1,0,0,0,1|1,0,1]=4 4816 B14R1.3653 COc1ccc(cc1Cl)NCC(C)O 2230a_100000211044_100011218427 [0,1,0,0,0,1|0,0,2]=4 4817 B14R1.3653 COc1ccc(cc1Cl)NCC(C)O 34a_100000211044_100011218427 [0,1,0,0,0,1|0,0,2]=4 4818 B14R1.3653 COc1ccc(cc1Cl)NC[C@@H](C)O 2230a_100000211044_100009817552 [0,1,0,0,0,1|0,0,2]=4 4819 B14R1.3653 COc1ccc(cc1Cl)NC[C@@H](C)O 34a_100000211044_100009817552 [0,1,0,0,0,1|0,0,2]=4 4820 B14R1.3653 COc1ccc(cc1Cl)NC[N+](=O)[O-] 34a_100000211044_100000761209 [0,1,0,0,0,1|2,0,0]=4 4821 B14R1.3653 COc1ccc(cc1Cl)NNC(=O)C 22a_100000699481_100000070787 [0,1,0,0,0,1|0,0,0]=2 4822 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 34a_200009861682_100000187820 [0,1,0,0,0,1|2,0,0]=4 4823 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 7a_200009861682_100000187820 [0,1,0,0,0,1|2,0,0]=4 4824 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)[O-] 34a_200009861682_100020667443 [0,1,0,0,0,1|2,0,0]=4 4825 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100012355395 [0,1,0,0,0,1|2,0,0]=4 4826 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100012355395_100000747473 [0,1,0,0,0,1|2,0,0]=4 4827 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100012355395_100020667443 [0,1,0,0,0,1|2,0,0]=4 4828 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100012355395 [0,1,0,0,0,1|2,0,0]=4 4829 B14R1.3653 COc1ccc(cc1F)C=CC(=O)C 1458a_100102526129_200000210301 [0,1,0,0,0,1|1,0,0]=3 4830 B14R1.3653 COc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526129_200025704644 [0,1,0,0,0,1|1,0,0]=3 4831 B14R1.3653 COc1ccc(cc1F)CCC(=O)C 1458a_100000234888_200000210301 [0,1,0,0,0,1|1,0,0]=3 4832 B14R1.3653 COc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100000234888_200025704644 [0,1,0,0,0,1|1,0,0]=3 4833 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 11a_100000737316_100015343762 [0,1,0,0,0,1|0,0,0]=2 4834 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 1626a_100000737316_100015343762 [0,1,0,0,0,1|0,0,0]=2 4835 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 240690a_100000737316_100015343762 [0,1,0,0,0,1|0,0,0]=2 4836 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 527a_100000737316_100103153847 [0,1,0,0,0,1|0,0,0]=2 4837 B14R1.3653 COc1ccc(cc1F)CNC(C)C 207a_100138425928_100000204617 [0,1,0,0,0,1|1,0,1]=4 4838 B14R1.3653 COc1ccc(cc1F)CNC(C)C 2230a_100000737316_100000210206 [0,1,0,0,0,1|1,0,1]=4 4839 B14R1.3653 COc1ccc(cc1F)CNC(C)C 2230a_100138425928_100000189595 [0,1,0,0,0,1|1,0,1]=4 4840 B14R1.3653 COc1ccc(cc1F)CNC(C)C 34a_100000737316_100000210206 [0,1,0,0,0,1|1,0,1]=4 4841 B14R1.3653 COc1ccc(cc1F)CNC(C)C 34a_100138425928_100000189595 [0,1,0,0,0,1|1,0,1]=4 4842 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 2230a_100000740183_100000747473 [0,1,0,0,0,1|1,0,0]=3 4843 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 34a_100000740183_100000187820 [0,1,0,0,0,1|1,0,0]=3 4844 B14R1.3653 COc1ccc(cc1F)NCC(=O)[O-] 34a_100000740183_100020667443 [0,1,0,0,0,1|1,0,0]=3 4845 B14R1.3653 COc1ccc(cc1F)NCC(C)C 2230a_100000740183_100000210760 [0,1,0,0,0,1|1,0,1]=4 4846 B14R1.3653 COc1ccc(cc1F)NCC(C)C 34a_100000740183_100000210624 [0,1,0,0,0,1|1,0,1]=4 4847 B14R1.3653 COc1ccc(cc1F)NCC(C)O 2230a_100000740183_100011218427 [0,1,0,0,0,1|0,0,2]=4 4848 B14R1.3653 COc1ccc(cc1F)NCC(C)O 34a_100000740183_100011218427 [0,1,0,0,0,1|0,0,2]=4 4849 B14R1.3653 COc1ccc(cc1F)NC[C@@H](C)O 2230a_100000740183_100009817552 [0,1,0,0,0,1|0,0,2]=4 4850 B14R1.3653 COc1ccc(cc1F)NC[C@@H](C)O 34a_100000740183_100009817552 [0,1,0,0,0,1|0,0,2]=4 4851 B14R1.3653 COc1ccc(cc1F)NC[N+](=O)[O-] 34a_100000740183_100000761209 [0,1,0,0,0,1|2,0,0]=4 4852 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 34a_100000746305_100000187820 [0,1,0,0,0,1|2,0,0]=4 4853 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 7a_100000746305_100000187820 [0,1,0,0,0,1|2,0,0]=4 4854 B14R1.3653 COc1ccc(cc1F)OCC(=O)[O-] 34a_100000746305_100020667443 [0,1,0,0,0,1|2,0,0]=4 4855 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000171752_100000747473 [0,1,0,0,0,1|2,0,0]=4 4856 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000171752 [0,1,0,0,0,1|2,0,0]=4 4857 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100000171752_100020667443 [0,1,0,0,0,1|2,0,0]=4 4858 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000171752 [0,1,0,0,0,1|2,0,0]=4 4859 B14R1.3653 COc1ccc(cc1I)CNC(C)C 207a_100138425928_100009827998 [0,1,0,0,0,1|1,0,1]=4 4860 B14R1.3653 COc1ccc(cc1I)NCC(=O)N 34a_100011356947_100000187820 [0,1,0,0,0,1|1,0,0]=3 4861 B14R1.3653 COc1ccc(cc1I)NCC(=O)[O-] 34a_100011356947_100020667443 [0,1,0,0,0,1|1,0,0]=3 4862 B14R1.3653 COc1ccc(cc1I)NCC(C)C 34a_100011356947_100000210624 [0,1,0,0,0,1|1,0,1]=4 4863 B14R1.3653 COc1ccc(cc1I)NCC(C)O 34a_100011356947_100011218427 [0,1,0,0,0,1|0,0,2]=4 4864 B14R1.3653 COc1ccc(cc1I)NC[C@@H](C)O 34a_100011356947_100009817552 [0,1,0,0,0,1|0,0,2]=4 4865 B14R1.3653 COc1ccc(cc1I)NC[N+](=O)[O-] 34a_100011356947_100000761209 [0,1,0,0,0,1|2,0,0]=4 4866 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 34a_100010084122_100000187820 [0,1,0,0,0,1|2,0,0]=4 4867 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 7a_100010084122_100000187820 [0,1,0,0,0,1|2,0,0]=4 4868 B14R1.3653 COc1ccc(cc1I)OCC(=O)[O-] 34a_100010084122_100020667443 [0,1,0,0,0,1|2,0,0]=4 4869 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100000747473_100011249504 [0,1,0,0,0,1|2,0,0]=4 4870 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100011249504_100000747473 [0,1,0,0,0,1|2,0,0]=4 4871 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100011249504_100020667443 [0,1,0,0,0,1|2,0,0]=4 4872 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011249504 [0,1,0,0,0,1|2,0,0]=4 4873 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [0,1,0,0,0,1|1,0,0]=3 4874 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [0,1,0,0,0,1|1,0,0]=3 4875 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [0,1,0,0,0,1|1,0,0]=3 4876 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1458a_100000746301_200000210301 [0,1,0,0,0,1|1,0,0]=3 4877 B14R1.3653 COc1ccc(cc1O)CCC(=O)[13CH3] 1458a_100000746301_200025704644 [0,1,0,0,0,1|1,0,0]=3 4878 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 240690a_100000740000_100015343762 [0,1,0,0,0,1|0,0,0]=2 4879 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 527a_100000740000_100103153847 [0,1,0,0,0,1|0,0,0]=2 4880 B14R1.3653 COc1ccc(cc1O)CNC(C)C 34a_100000740000_100000210206 [0,1,0,0,0,1|1,0,1]=4 4881 B14R1.3653 COc1ccc(cc1O)NCC(=O)N 34a_100000211920_100000187820 [0,1,0,0,0,1|1,0,0]=3 4882 B14R1.3653 COc1ccc(cc1O)NCC(=O)[O-] 34a_100000211920_100020667443 [0,1,0,0,0,1|1,0,0]=3 4883 B14R1.3653 COc1ccc(cc1O)NCC(C)C 34a_100000211920_100000210624 [0,1,0,0,0,1|1,0,1]=4 4884 B14R1.3653 COc1ccc(cc1O)NCC(C)O 34a_100000211920_100011218427 [0,1,0,0,0,1|0,0,2]=4 4885 B14R1.3653 COc1ccc(cc1O)NC[C@@H](C)O 34a_100000211920_100009817552 [0,1,0,0,0,1|0,0,2]=4 4886 B14R1.3653 COc1ccc(cc1O)NC[N+](=O)[O-] 34a_100000211920_100000761209 [0,1,0,0,0,1|2,0,0]=4 4887 B14R1.3653 COc1ccc(cc1O)SCC(=O)N 62a_100000747473_100009816560 [0,1,0,0,0,1|2,0,0]=4 4888 B14R1.3653 COc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100009816560 [0,1,0,0,0,1|2,0,0]=4 4889 B14R1.3653 CSc1ccc(cc1F)NCC(=O)N 2230a_100000762756_100000747473 [0,1,0,0,0,1|1,1,0]=4 4890 B14R1.3653 CSc1ccc(cc1F)NCC(=O)N 34a_100000762756_100000187820 [0,1,0,0,0,1|1,1,0]=4 4891 B14R1.3653 CSc1ccc(cc1F)NCC(=O)[O-] 34a_100000762756_100020667443 [0,1,0,0,0,1|1,1,0]=4 4892 B14R1.23 CC=Cc1ccc(cc1)NS(=O)(=O)C 271570a_100016259895_200000165602 [0,2,0,0,0,0|2,0,0]=4 4893 B14R1.23 CCCc1ccc(cc1)NS(=O)(=O)C 40a_100000211780_100000738038 [0,2,0,0,0,0|2,0,0]=4 4894 B14R1.23 CCNc1ccc(cc1)NS(=O)(=O)C 34a_100011191326_100000210202 [0,2,0,0,0,0|2,0,0]=4 4895 B14R1.23 CCOc1ccc(cc1)NC(C)(C)C 34a_100000739623_100000210625 [0,2,0,0,0,0|1,0,1]=4 4896 B14R1.23 CCOc1ccc(cc1)NS(=O)(=O)C 34a_100000165719_100000210202 [0,2,0,0,0,0|1,0,0]=3 4897 B14R1.23 CCOc1ccc(cc1)NS(=O)(=O)C 40a_100000739623_100000738038 [0,2,0,0,0,0|1,0,0]=3 4898 B14R1.23 CCSc1ccc(cc1)NS(=O)(=O)C 40a_100015187087_100000738038 [0,2,0,0,0,0|1,1,0]=4 4899 B14R1.23 CCSc1ccc(cc1)NS(=O)(=O)C 62a_100000210202_200000165602 [0,2,0,0,0,0|1,1,0]=4 4900 B14R1.23 CCSc1ccc(cc1)NS(=O)(=O)C 62a_200000165602_100000210202 [0,2,0,0,0,0|1,1,0]=4 4901 B14R1.23 CNCc1ccc(cc1)NS(=O)(=O)C 207a_100102657272_100011266422 [0,2,0,0,0,0|2,0,0]=4 4902 B14R1.23 CNCc1ccc(cc1)NS(=O)(=O)C 34a_100000740523_200000210301 [0,2,0,0,0,0|2,0,0]=4 4903 B14R1.23 COCc1ccc(cc1)NC(C)(C)C 34a_100000694113_100000210625 [0,2,0,0,0,0|1,0,1]=4 4904 B14R1.23 COCc1ccc(cc1)NS(=O)(=O)C 34a_100011266447_200000210301 [0,2,0,0,0,0|1,0,0]=3 4905 B14R1.23 COCc1ccc(cc1)NS(=O)(=O)C 40a_100000694113_100000738038 [0,2,0,0,0,0|1,0,0]=3 4906 B14R1.23 CS(=O)(=O)Nc1ccc(cc1)CCO 40a_100011204434_100000738038 [0,2,0,0,0,0|2,0,0]=4 4907 B14R1.23 CS(=O)(=O)Nc1ccc(cc1)CN[13CH3] 34a_100000740523_200025704644 [0,2,0,0,0,0|2,0,0]=4 4908 B14R1.23 CS(=O)(=O)Nc1ccc(cc1)CO[13CH3] 34a_100011266447_200025704644 [0,2,0,0,0,0|1,0,0]=3 4909 B14R1.23 CS(=O)(=O)Nc1ccc(cc1)NCF 34a_100011191326_100015361967 [0,2,0,0,0,0|2,0,0]=4 4910 B14R1.23 CS(=O)(=O)Nc1ccc(cc1)OCF 34a_100000165719_100015361967 [0,2,0,0,0,0|1,0,0]=3 4911 B14R1.23 CS(=O)(=O)Nc1ccc(cc1)SCF 62a_100015361967_200000165602 [0,2,0,0,0,0|1,1,0]=4 4912 B14R1.23 CS(=O)(=O)Nc1ccc(cc1)SCF 62a_200000165602_100015361967 [0,2,0,0,0,0|1,1,0]=4 4913 B14R1.23 CSCc1ccc(cc1)NS(=O)(=O)C 40a_106726388226_100000738038 [0,2,0,0,0,0|1,1,0]=4 4914 B14R1.212 CN(c1ccc(cc1)O[13CH3])S(=O)(=O)C 34a_100000187494_200025704644 [0,2,0,0,0,0|1,0,0]=3 4915 B14R1.212 COc1ccc(cc1)N(C)C(C)(C)C 269982a_100000220023_100000210625 [0,2,0,0,0,0|1,0,1]=4 4916 B14R1.212 COc1ccc(cc1)N(C)C(C)(C)C 34a_100000220023_100000210625 [0,2,0,0,0,0|1,0,1]=4 4917 B14R1.212 COc1ccc(cc1)N(C)S(=O)(=O)C 34a_100000187494_200000210301 [0,2,0,0,0,0|1,0,0]=3 4918 B14R1.215 C#CC(C)(C)Nc1ccc(cc1)OC 34a_100000184247_100000038118 [0,2,0,0,0,0|1,0,1]=4 4919 B14R1.215 CCS(=O)(=O)Nc1ccc(cc1)OC 40a_100000184247_100000053943 [0,2,0,0,0,0|1,0,0]=3 4920 B14R1.215 CCS(=O)(=O)Nc1ccc(cc1)SC 232682a_100000212337_100000211323 [0,2,0,0,0,0|1,1,0]=4 4921 B14R1.215 CCS(=O)(=O)Nc1ccc(cc1)SC 40a_100000212337_100000053943 [0,2,0,0,0,0|1,1,0]=4 4922 B14R1.215 CCc1ccc(cc1)NS(=O)(=O)CC 232682a_100000211069_100000211323 [0,2,0,0,0,0|2,0,0]=4 4923 B14R1.215 CCc1ccc(cc1)NS(=O)(=O)CC 40a_100000211069_100000053943 [0,2,0,0,0,0|2,0,0]=4 4924 B14R1.215 COc1ccc(cc1)NC(C)(C)C#N 34a_100000184247_100011162410 [0,2,0,0,0,0|1,0,1]=4 4925 B14R1.414 C=C(C)c1ccc(cc1)NS(=O)(=O)C 271570a_100000694244_200000165602 [0,2,0,0,0,0|2,0,0]=4 4926 B14R1.414 CC(=O)c1ccc(cc1)NS(=O)(=O)C 1458a_100000165680_200000210301 [0,2,0,0,0,0|2,0,0]=4 4927 B14R1.414 CC(C)c1ccc(cc1)NS(=O)(=O)C 40a_100000210773_100000738038 [0,2,0,0,0,0|2,0,0]=4 4928 B14R1.414 CC(O)c1ccc(cc1)NS(=O)(=O)C 40a_100011216399_100000738038 [0,2,0,0,0,0|2,0,0]=4 4929 B14R1.414 CN(C)c1ccc(cc1)NS(=O)(=O)C 40a_100016997997_100000738038 [0,2,0,0,0,0|2,0,0]=4 4930 B14R1.414 CS(=O)(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000165680_200025704644 [0,2,0,0,0,0|2,0,0]=4 4931 B14R1.2311 CCc1ccc(c(c1)Br)NS(=O)(=O)C 40a_100012339725_100000738038 [0,2,0,0,0,0|2,0,0]=4 4932 B14R1.2311 CCc1ccc(c(c1)C)NS(=O)(=O)C 40a_100011226020_100000738038 [0,2,0,0,0,0|2,0,0]=4 4933 B14R1.2311 CCc1ccc(c(c1)F)NS(=O)(=O)C 40a_100016177294_100000738038 [0,2,0,0,0,0|2,0,0]=4 4934 B14R1.2311 CCc1ccc(c(c1)O)NS(=O)(=O)C 40a_100000124328_100000738038 [0,2,0,0,0,0|2,0,0]=4 4935 B14R1.2311 CNc1ccc(c(c1)C)NS(=O)(=O)C 34a_100000181681_200000210301 [0,2,0,0,0,0|2,0,0]=4 4936 B14R1.2311 COc1ccc(c(c1)Br)NC(C)(C)C 34a_100015195136_100000210625 [0,2,0,0,0,0|1,0,1]=4 4937 B14R1.2311 COc1ccc(c(c1)C)NC(C)(C)C 34a_100000750285_100000210625 [0,2,0,0,0,0|1,0,1]=4 4938 B14R1.2311 COc1ccc(c(c1)C)NS(=O)(=O)C 34a_100011934622_200000210301 [0,2,0,0,0,0|1,0,0]=3 4939 B14R1.2311 COc1ccc(c(c1)C)NS(=O)(=O)C 40a_100000750285_100000738038 [0,2,0,0,0,0|1,0,0]=3 4940 B14R1.2311 COc1ccc(c(c1)C)NS(=O)(=O)C 7a_100011934622_200000210301 [0,2,0,0,0,0|1,0,0]=3 4941 B14R1.2311 COc1ccc(c(c1)Cl)NC(C)(C)C 34a_100000747055_100000210625 [0,2,0,0,0,0|1,0,1]=4 4942 B14R1.2311 COc1ccc(c(c1)Cl)NS(=O)(=O)C 40a_100000747055_100000738038 [0,2,0,0,0,0|1,0,0]=3 4943 B14R1.2311 COc1ccc(c(c1)F)NC(C)(C)C 34a_100011299463_100000210625 [0,2,0,0,0,0|1,0,1]=4 4944 B14R1.2311 COc1ccc(c(c1)F)NS(=O)(=O)C 40a_100011299463_100000738038 [0,2,0,0,0,0|1,0,0]=3 4945 B14R1.2311 COc1ccc(c(c1)I)NC(C)(C)C 34a_100000049804_100000210625 [0,2,0,0,0,0|1,0,1]=4 4946 B14R1.2311 COc1ccc(c(c1)I)NS(=O)(=O)C 40a_100000049804_100000738038 [0,2,0,0,0,0|1,0,0]=3 4947 B14R1.2311 COc1ccc(c(c1)O)NC(C)(C)C 34a_100016989039_100000210625 [0,2,0,0,0,0|1,0,1]=4 4948 B14R1.2311 CSc1ccc(c(c1)F)NS(=O)(=O)C 40a_100012056844_100000738038 [0,2,0,0,0,0|1,1,0]=4 4949 B14R1.2311 Cc1cc(ccc1NS(=O)(=O)C)N[13CH3] 34a_100000181681_200025704644 [0,2,0,0,0,0|2,0,0]=4 4950 B14R1.2311 Cc1cc(ccc1NS(=O)(=O)C)O[13CH3] 34a_100011934622_200025704644 [0,2,0,0,0,0|1,0,0]=3 4951 B14R1.2311 Cc1cc(ccc1NS(=O)(=O)C)O[13CH3] 7a_100011934622_200025704644 [0,2,0,0,0,0|1,0,0]=3 4952 B14R1.3275 CCc1ccc(cc1Cl)NS(=O)(=O)C 40a_100000766362_100000738038 [0,2,0,0,0,0|2,0,0]=4 4953 B14R1.3275 COc1ccc(cc1Br)NC(C)(C)C 34a_100000187427_100000210625 [0,2,0,0,0,0|1,0,1]=4 4954 B14R1.3275 COc1ccc(cc1Br)NS(=O)(=O)C 40a_100000187427_100000738038 [0,2,0,0,0,0|1,0,0]=3 4955 B14R1.3275 COc1ccc(cc1C)NC(C)(C)C 34a_100000743268_100000210625 [0,2,0,0,0,0|1,0,1]=4 4956 B14R1.3275 COc1ccc(cc1C)NS(=O)(=O)C 40a_100000743268_100000738038 [0,2,0,0,0,0|1,0,0]=3 4957 B14R1.3275 COc1ccc(cc1Cl)NC(C)(C)C 34a_100000211044_100000210625 [0,2,0,0,0,0|1,0,1]=4 4958 B14R1.3275 COc1ccc(cc1Cl)NS(=O)(=O)C 40a_100000211044_100000738038 [0,2,0,0,0,0|1,0,0]=3 4959 B14R1.3275 COc1ccc(cc1F)NC(C)(C)C 34a_100000740183_100000210625 [0,2,0,0,0,0|1,0,1]=4 4960 B14R1.3275 COc1ccc(cc1F)NS(=O)(=O)C 40a_100000740183_100000738038 [0,2,0,0,0,0|1,0,0]=3 4961 B14R1.3275 COc1ccc(cc1I)NC(C)(C)C 34a_100011356947_100000210625 [0,2,0,0,0,0|1,0,1]=4 4962 B14R1.3275 COc1ccc(cc1I)NS(=O)(=O)C 40a_100011356947_100000738038 [0,2,0,0,0,0|1,0,0]=3 4963 B14R1.3275 COc1ccc(cc1O)NC(C)(C)C 34a_100000211920_100000210625 [0,2,0,0,0,0|1,0,1]=4 4964 B14R1.3275 COc1ccc(cc1O)NS(=O)(=O)C 40a_100000211920_100000738038 [0,2,0,0,0,0|1,0,0]=3 4965 B14R1.3275 COc1ccc(cc1O)OS(=O)(=O)C 271570a_203496583355_200010208287 [0,2,0,0,0,0|2,0,0]=4 4966 B14R1.3275 CSc1ccc(cc1F)NS(=O)(=O)C 40a_100000762756_100000738038 [0,2,0,0,0,0|1,1,0]=4 4967 B14R1.6 COc1ccc(cc1)NC(C=O)C=O 34a_100000184247_100000736813 [0,2,0,0,0,0|0,0,2]=4 4968 B14R1.7 C#CC(C)N(C)c1ccc(cc1)OC 34a_100000220023_200000035995 [0,2,0,0,0,0|1,0,1]=4 4969 B14R1.7 C=CC(=O)N(C)c1ccc(cc1)OC 1626a_100000220023_100000185746 [0,2,0,0,0,0|0,0,1]=3 4970 B14R1.7 C=CC(=O)N(C)c1ccc(cc1)OC 22a_100000220023_100000185746 [0,2,0,0,0,0|0,0,1]=3 4971 B14R1.7 C=CC(C)N(C)c1ccc(cc1)OC 269982a_100000220023_100011215867 [0,2,0,0,0,0|1,0,1]=4 4972 B14R1.7 CCC(=O)C(C)c1ccc(cc1)OC 1458a_100000753396_100000210202 [0,2,0,0,0,0|1,0,0]=3 4973 B14R1.7 CCC(=O)C(O)c1ccc(cc1)OC 1458a_100011218652_100000210202 [0,2,0,0,0,0|1,0,0]=3 4974 B14R1.7 CCC(=O)N(C)c1ccc(cc1)C#N 11a_100000739737_100000210414 [0,2,0,0,0,0|2,0,0]=4 4975 B14R1.7 CCC(=O)N(C)c1ccc(cc1)C#N 1626a_100000739737_100000210414 [0,2,0,0,0,0|2,0,0]=4 4976 B14R1.7 CCC(=O)N(C)c1ccc(cc1)NC 34a_100011243721_200000210301 [0,2,0,0,0,0|1,0,0]=3 4977 B14R1.7 CCC(=O)N(C)c1ccc(cc1)N[13CH3] 34a_100011243721_200025704644 [0,2,0,0,0,0|1,0,0]=3 4978 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 11a_100000220023_100000210414 [0,2,0,0,0,0|0,0,0]=2 4979 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 1626a_100000220023_100000210414 [0,2,0,0,0,0|0,0,0]=2 4980 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 22a_100000220023_100000210414 [0,2,0,0,0,0|0,0,0]=2 4981 B14R1.7 CCC(=O)N(C)c1ccc(cc1)OC 527a_100000220023_100000210414 [0,2,0,0,0,0|0,0,0]=2 4982 B14R1.7 CCC(C)N(C)c1ccc(cc1)OC 2230a_100000220023_100000758301 [0,2,0,0,0,0|1,0,1]=4 4983 B14R1.7 CCC(C)N(C)c1ccc(cc1)OC 269982a_100000220023_100000758301 [0,2,0,0,0,0|1,0,1]=4 4984 B14R1.7 CCC(C)N(C)c1ccc(cc1)OC 34a_100000220023_100011215416 [0,2,0,0,0,0|1,0,1]=4 4985 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 11a_106832991635_100000753396 [0,2,0,0,0,0|1,0,0]=3 4986 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 1626a_100102657272_100000753396 [0,2,0,0,0,0|1,0,0]=3 4987 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 240690a_100102657272_100000753396 [0,2,0,0,0,0|1,0,0]=3 4988 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 527a_100102657272_100000753396 [0,2,0,0,0,0|1,0,0]=3 4989 B14R1.7 CNC(=O)C(O)c1ccc(cc1)OC 240690a_100102657272_100011218652 [0,2,0,0,0,0|1,0,0]=3 4990 B14R1.7 CNC(=O)N(C)c1ccc(cc1)C#N 512a_100000739737_100102657272 [0,2,0,0,0,0|2,0,0]=4 4991 B14R1.7 CNC(=O)N(C)c1ccc(cc1)C#N 512a_106832991638_100000739737 [0,2,0,0,0,0|2,0,0]=4 4992 B14R1.7 CNC(=O)N(C)c1ccc(cc1)OC 512a_106832991638_100000220023 [0,2,0,0,0,0|0,0,0]=2 4993 B14R1.7 COC(=O)C(=O)c1ccc(cc1)OC 34a_100010658548_200000210301 [0,2,0,0,0,0|1,0,0]=3 4994 B14R1.7 COC(=O)C(=O)c1ccc(cc1)O[13CH3] 34a_100010658548_200025704644 [0,2,0,0,0,0|1,0,0]=3 4995 B14R1.7 COC(=O)C(=O)c1ccc(cc1)SC 62a_100012339527_200000210301 [0,2,0,0,0,0|1,1,0]=4 4996 B14R1.7 COC(=O)C(=O)c1ccc(cc1)SC 62a_200000210301_100012339527 [0,2,0,0,0,0|1,1,0]=4 4997 B14R1.7 COC(=O)C(=O)c1ccc(cc1)S[13CH3] 62a_100012339527_200025704644 [0,2,0,0,0,0|1,1,0]=4 4998 B14R1.7 COC(=O)C(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100012339527 [0,2,0,0,0,0|1,1,0]=4 4999 B14R1.7 COC(=O)C(N)c1ccc(cc1)SC 62a_100000747369_200000210301 [0,2,0,0,0,0|1,1,0]=4 5000 B14R1.7 COC(=O)C(N)c1ccc(cc1)SC 62a_200000210301_100000747369 [0,2,0,0,0,0|1,1,0]=4 5001 B14R1.7 COC(=O)C(N)c1ccc(cc1)S[13CH3] 62a_100000747369_200025704644 [0,2,0,0,0,0|1,1,0]=4 5002 B14R1.7 COC(=O)C(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000747369 [0,2,0,0,0,0|1,1,0]=4 5003 B14R1.7 COC(=O)[C@H](N)c1ccc(cc1)OC 34a_100009816592_200000210301 [0,2,0,0,0,0|1,0,0]=3 5004 B14R1.7 COC(=O)[C@H](N)c1ccc(cc1)O[13CH3] 34a_100009816592_200025704644 [0,2,0,0,0,0|1,0,0]=3 5005 B14R1.7 COc1ccc(cc1)C(C)C(=O)CF 1458a_100000753396_100015361967 [0,2,0,0,0,0|1,0,0]=3 5006 B14R1.7 COc1ccc(cc1)C(O)C(=O)CF 1458a_100011218652_100015361967 [0,2,0,0,0,0|1,0,0]=3 5007 B14R1.7 COc1ccc(cc1)N(C)C(=O)CO 22a_100000220023_100000210174 [0,2,0,0,0,0|0,0,0]=2 5008 B14R1.7 COc1ccc(cc1)N(C)C(=O)CO 527a_100000220023_100000210174 [0,2,0,0,0,0|0,0,0]=2 5009 B14R1.7 COc1ccc(cc1)N(C)C(C)C#N 2230a_100000220023_100000184139 [0,2,0,0,0,0|1,0,1]=4 5010 B14R1.7 COc1ccc(cc1)N(C)C(C)C#N 269982a_100000220023_100000703298 [0,2,0,0,0,0|1,0,1]=4 5011 B14R1.7 COc1ccc(cc1)N(C)C(C)CO 2230a_100000220023_100012180447 [0,2,0,0,0,0|0,0,2]=4 5012 B14R1.7 COc1ccc(cc1)N(C)C(C)CO 34a_100000220023_100012180447 [0,2,0,0,0,0|0,0,2]=4 5013 B14R1.7 COc1ccc(cc1)N(C)C(C)OC 269982a_100000220023_100009879195 [0,2,0,0,0,0|0,0,2]=4 5014 B14R1.7 COc1ccc(cc1)N(C)[C@H](C)CO 269982a_100000220023_100016084084 [0,2,0,0,0,0|0,0,2]=4 5015 B14R1.24 C#CC(C)Nc1ccc(cc1)COC 34a_100000694113_200000035995 [0,2,0,0,0,0|1,0,1]=4 5016 B14R1.24 C#CC(C)Nc1ccc(cc1)OCC 34a_100000739623_200000035995 [0,2,0,0,0,0|1,0,1]=4 5017 B14R1.24 C=C=Cc1ccc(cc1)NC(=O)OC 271570a_100015277604_100000181880 [0,2,0,0,0,0|1,0,1]=4 5018 B14R1.24 C=CC(=O)Nc1ccc(cc1)CCC 1626a_100000211780_100000185746 [0,2,0,0,0,0|1,0,1]=4 5019 B14R1.24 C=CC(=O)Nc1ccc(cc1)CCC 22a_100000211780_100000185746 [0,2,0,0,0,0|1,0,1]=4 5020 B14R1.24 C=CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000185746 [0,2,0,0,0,0|1,0,1]=4 5021 B14R1.24 C=CC(=O)Nc1ccc(cc1)CNC 26a_100102657272_100011235904 [0,2,0,0,0,0|1,0,1]=4 5022 B14R1.24 C=CC(=O)Nc1ccc(cc1)COC 1626a_100000694113_100000185746 [0,2,0,0,0,0|0,0,1]=3 5023 B14R1.24 C=CC(=O)Nc1ccc(cc1)COC 22a_100000694113_100000185746 [0,2,0,0,0,0|0,0,1]=3 5024 B14R1.24 C=CC(=O)Nc1ccc(cc1)CSC 1626a_106726388226_100000185746 [0,2,0,0,0,0|0,1,1]=4 5025 B14R1.24 C=CC(=O)Nc1ccc(cc1)CSC 22a_106726388226_100000185746 [0,2,0,0,0,0|0,1,1]=4 5026 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 1626a_100000739623_100000185746 [0,2,0,0,0,0|0,0,1]=3 5027 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 22a_100000739623_100000185746 [0,2,0,0,0,0|0,0,1]=3 5028 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 34a_100011235904_100000210202 [0,2,0,0,0,0|0,0,1]=3 5029 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCF 34a_100011235904_100015361967 [0,2,0,0,0,0|0,0,1]=3 5030 B14R1.24 C=CC(=O)Nc1ccc(cc1)SCC 1626a_100015187087_100000185746 [0,2,0,0,0,0|0,1,1]=4 5031 B14R1.24 C=CC(=O)Nc1ccc(cc1)SCC 22a_100015187087_100000185746 [0,2,0,0,0,0|0,1,1]=4 5032 B14R1.24 CC=Cc1ccc(cc1)CC(=O)NC 271570a_100016259895_100000155101 [0,2,0,0,0,0|2,0,0]=4 5033 B14R1.24 CC=Cc1ccc(cc1)CC(=O)OC 271570a_100016259895_100000149743 [0,2,0,0,0,0|2,0,0]=4 5034 B14R1.24 CC=Cc1ccc(cc1)NC(=O)OC 271570a_100016259895_100000181880 [0,2,0,0,0,0|1,0,0]=3 5035 B14R1.24 CC=Cc1ccc(cc1)OC(=O)CC 271570a_100016259895_200009811598 [0,2,0,0,0,0|2,0,0]=4 5036 B14R1.24 CC=Cc1ccc(nc1)NC(=O)OC 271570a_100016259895_100000188976 [0,2,0,0,0,0|2,0,0]=4 5037 B14R1.24 CCC(=O)Cc1ccc(cc1)COC 1458a_100011290826_100000210202 [0,2,0,0,0,0|1,0,0]=3 5038 B14R1.24 CCC(=O)Nc1ccc(cc1)CC#N 11a_100000198999_100000210414 [0,2,0,0,0,0|1,0,1]=4 5039 B14R1.24 CCC(=O)Nc1ccc(cc1)CC#N 1626a_100000198999_100000210414 [0,2,0,0,0,0|1,0,1]=4 5040 B14R1.24 CCC(=O)Nc1ccc(cc1)CC#N 22a_100000198999_100000210414 [0,2,0,0,0,0|1,0,1]=4 5041 B14R1.24 CCC(=O)Nc1ccc(cc1)CC#N 527a_100000198999_100000210414 [0,2,0,0,0,0|1,0,1]=4 5042 B14R1.24 CCC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000210414 [0,2,0,0,0,0|1,0,0]=3 5043 B14R1.24 CCC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100000210414 [0,2,0,0,0,0|1,0,0]=3 5044 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 11a_100000694113_100000210414 [0,2,0,0,0,0|0,0,0]=2 5045 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 1626a_100000694113_100000210414 [0,2,0,0,0,0|0,0,0]=2 5046 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 22a_100000694113_100000210414 [0,2,0,0,0,0|0,0,0]=2 5047 B14R1.24 CCC(=O)Nc1ccc(cc1)COC 527a_100000694113_100000210414 [0,2,0,0,0,0|0,0,0]=2 5048 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 11a_106726388226_100000210414 [0,2,0,0,0,0|0,1,0]=3 5049 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 1626a_106726388226_100000210414 [0,2,0,0,0,0|0,1,0]=3 5050 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 22a_106726388226_100000210414 [0,2,0,0,0,0|0,1,0]=3 5051 B14R1.24 CCC(=O)Nc1ccc(cc1)CSC 527a_106726388226_100000210414 [0,2,0,0,0,0|0,1,0]=3 5052 B14R1.24 CCC(=O)Nc1ccc(cc1)N=[N+]=[N-] 22a_100000032754_100000210414 [0,2,0,0,0,0|2,0,0]=4 5053 B14R1.24 CCC(=O)Nc1ccc(cc1)NCF 34a_100000186511_100015361967 [0,2,0,0,0,0|1,0,0]=3 5054 B14R1.24 CCC(=O)Nc1ccc(cc1)OCF 34a_200000243810_100015361967 [0,2,0,0,0,0|0,0,0]=2 5055 B14R1.24 CCC(=O)Nc1ccc(cc1)OCF 7a_200000243810_100015361967 [0,2,0,0,0,0|0,0,0]=2 5056 B14R1.24 CCC(=O)Oc1ccc(cc1)CNC 270004a_106832991635_200000014686 [0,2,0,0,0,0|2,0,0]=4 5057 B14R1.24 CCC(=O)Oc1ccc(cc1)SCF 62a_100015361967_200009811598 [0,2,0,0,0,0|1,1,0]=4 5058 B14R1.24 CCC(C)Nc1ccc(cc1)COC 34a_100000694113_100011215416 [0,2,0,0,0,0|1,0,1]=4 5059 B14R1.24 CCCc1ccc(cc1)CC(=O)CC 1458a_100000186164_100000210202 [0,2,0,0,0,0|2,0,0]=4 5060 B14R1.24 CCCc1ccc(cc1)CC(=O)CC 1458a_100000210414_100011982809 [0,2,0,0,0,0|2,0,0]=4 5061 B14R1.24 CCCc1ccc(cc1)CC(=O)CF 1458a_100000186164_100015361967 [0,2,0,0,0,0|2,0,0]=4 5062 B14R1.24 CCCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100011982809 [0,2,0,0,0,0|2,0,0]=4 5063 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 11a_106832991635_100000186164 [0,2,0,0,0,0|2,0,0]=4 5064 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 1626a_100102657272_100000186164 [0,2,0,0,0,0|2,0,0]=4 5065 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 240690a_100102657272_100000186164 [0,2,0,0,0,0|2,0,0]=4 5066 B14R1.24 CCCc1ccc(cc1)CC(=O)NC 527a_100102657272_100000186164 [0,2,0,0,0,0|2,0,0]=4 5067 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 11a_100000211780_100000210414 [0,2,0,0,0,0|1,0,0]=3 5068 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 1626a_100000211780_100000210414 [0,2,0,0,0,0|1,0,0]=3 5069 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 22a_100000211780_100000210414 [0,2,0,0,0,0|1,0,0]=3 5070 B14R1.24 CCCc1ccc(cc1)NC(=O)CC 527a_100000211780_100000210414 [0,2,0,0,0,0|1,0,0]=3 5071 B14R1.24 CCCc1ccc(cc1)NC(=O)CO 22a_100000211780_100000210174 [0,2,0,0,0,0|1,0,0]=3 5072 B14R1.24 CCCc1ccc(cc1)NC(=O)CO 527a_100000211780_100000210174 [0,2,0,0,0,0|1,0,0]=3 5073 B14R1.24 CCCc1ccc(cc1)NC(=O)NC 2430a_100000211780_100102657272 [0,2,0,0,0,0|1,0,0]=3 5074 B14R1.24 CCNc1ccc(cc1)CC(=O)NC 2230a_100000736799_100000210202 [0,2,0,0,0,0|2,0,0]=4 5075 B14R1.24 CCNc1ccc(cc1)CC(=O)NC 34a_100000736799_100000210202 [0,2,0,0,0,0|2,0,0]=4 5076 B14R1.24 CCNc1ccc(cc1)NC(=O)CC 34a_100000186511_100000210202 [0,2,0,0,0,0|1,0,0]=3 5077 B14R1.24 CCNc1ccc(cc1)NC(=O)CO 34a_100011269904_100000210202 [0,2,0,0,0,0|1,0,0]=3 5078 B14R1.24 CCOc1ccc(cc1)CC(=O)CC 1458a_100000183096_100000210202 [0,2,0,0,0,0|1,0,0]=3 5079 B14R1.24 CCOc1ccc(cc1)CC(=O)CF 1458a_100000183096_100015361967 [0,2,0,0,0,0|1,0,0]=3 5080 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 11a_106832991635_100000183096 [0,2,0,0,0,0|1,0,0]=3 5081 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 1626a_100102657272_100000183096 [0,2,0,0,0,0|1,0,0]=3 5082 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 240690a_100102657272_100000183096 [0,2,0,0,0,0|1,0,0]=3 5083 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 34a_200000020795_100000210202 [0,2,0,0,0,0|1,0,0]=3 5084 B14R1.24 CCOc1ccc(cc1)CC(=O)NC 527a_100102657272_100000183096 [0,2,0,0,0,0|1,0,0]=3 5085 B14R1.24 CCOc1ccc(cc1)CC(=O)NN 34a_100000020777_100000210202 [0,2,0,0,0,0|2,0,0]=4 5086 B14R1.24 CCOc1ccc(cc1)CC(=O)OC 34a_100000211648_100000210202 [0,2,0,0,0,0|1,0,0]=3 5087 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 11a_100000739623_100000210414 [0,2,0,0,0,0|0,0,0]=2 5088 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 1626a_100000739623_100000210414 [0,2,0,0,0,0|0,0,0]=2 5089 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 22a_100000739623_100000210414 [0,2,0,0,0,0|0,0,0]=2 5090 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 34a_200000243810_100000210202 [0,2,0,0,0,0|0,0,0]=2 5091 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 527a_100000739623_100000210414 [0,2,0,0,0,0|0,0,0]=2 5092 B14R1.24 CCOc1ccc(cc1)NC(=O)CC 7a_200000243810_100000210202 [0,2,0,0,0,0|0,0,0]=2 5093 B14R1.24 CCOc1ccc(cc1)NC(=O)CCl 34a_100000233757_100000210202 [0,2,0,0,0,0|0,0,0]=2 5094 B14R1.24 CCOc1ccc(cc1)NC(=O)CO 22a_100000739623_100000210174 [0,2,0,0,0,0|0,0,0]=2 5095 B14R1.24 CCOc1ccc(cc1)NC(=O)CO 527a_100000739623_100000210174 [0,2,0,0,0,0|0,0,0]=2 5096 B14R1.24 CCOc1ccc(cc1)NC(=O)NC 2430a_100000739623_100102657272 [0,2,0,0,0,0|0,0,0]=2 5097 B14R1.24 CCOc1ccc(cc1)NC(=O)OC 34a_100011235918_100000210202 [0,2,0,0,0,0|0,0,0]=2 5098 B14R1.24 CCOc1ccc(cc1)NC(C)C#N 2230a_100000739623_100000184139 [0,2,0,0,0,0|1,0,1]=4 5099 B14R1.24 CCOc1ccc(cc1)NC(C)CC 2230a_100000739623_100000758301 [0,2,0,0,0,0|1,0,1]=4 5100 B14R1.24 CCOc1ccc(cc1)NC(C)CC 34a_100000739623_100011215416 [0,2,0,0,0,0|1,0,1]=4 5101 B14R1.24 CCOc1ccc(cc1)NC(C)CO 2230a_100000739623_100012180447 [0,2,0,0,0,0|0,0,2]=4 5102 B14R1.24 CCOc1ccc(cc1)NC(C)CO 34a_100000739623_100012180447 [0,2,0,0,0,0|0,0,2]=4 5103 B14R1.24 CCSc1ccc(cc1)CC(=O)NC 62a_100000155101_100000210202 [0,2,0,0,0,0|1,1,0]=4 5104 B14R1.24 CCSc1ccc(cc1)CC(=O)NC 62a_100000210202_100000155101 [0,2,0,0,0,0|1,1,0]=4 5105 B14R1.24 CCSc1ccc(cc1)CC(=O)OC 62a_100000149743_100000210202 [0,2,0,0,0,0|1,1,0]=4 5106 B14R1.24 CCSc1ccc(cc1)CC(=O)OC 62a_100000210202_100000149743 [0,2,0,0,0,0|1,1,0]=4 5107 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 11a_100015187087_100000210414 [0,2,0,0,0,0|0,1,0]=3 5108 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 1626a_100015187087_100000210414 [0,2,0,0,0,0|0,1,0]=3 5109 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 22a_100015187087_100000210414 [0,2,0,0,0,0|0,1,0]=3 5110 B14R1.24 CCSc1ccc(cc1)NC(=O)CC 527a_100015187087_100000210414 [0,2,0,0,0,0|0,1,0]=3 5111 B14R1.24 CCSc1ccc(cc1)NC(=O)CN 62a_100000210202_100000741985 [0,2,0,0,0,0|0,1,0]=3 5112 B14R1.24 CCSc1ccc(cc1)NC(=O)CO 22a_100015187087_100000210174 [0,2,0,0,0,0|0,1,0]=3 5113 B14R1.24 CCSc1ccc(cc1)NC(=O)CO 527a_100015187087_100000210174 [0,2,0,0,0,0|0,1,0]=3 5114 B14R1.24 CCSc1ccc(cc1)NC(=O)NC 2430a_100015187087_100102657272 [0,2,0,0,0,0|0,1,0]=3 5115 B14R1.24 CCSc1ccc(cc1)NC(=O)OC 62a_100000210202_100000181880 [0,2,0,0,0,0|0,1,0]=3 5116 B14R1.24 CCSc1ccc(cc1)OC(=O)CC 62a_100000210202_200009811598 [0,2,0,0,0,0|1,1,0]=4 5117 B14R1.24 CCSc1ccc(nc1)NC(=O)OC 62a_100000210202_100000188976 [0,2,0,0,0,0|1,1,0]=4 5118 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 11a_106832991635_100011290826 [0,2,0,0,0,0|1,0,0]=3 5119 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 1626a_100102657272_100011290826 [0,2,0,0,0,0|1,0,0]=3 5120 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 240690a_100102657272_100011290826 [0,2,0,0,0,0|1,0,0]=3 5121 B14R1.24 CNC(=O)Cc1ccc(cc1)COC 527a_100102657272_100011290826 [0,2,0,0,0,0|1,0,0]=3 5122 B14R1.24 CNC(=O)Cc1ccc(cc1)NCF 34a_100000736799_100015361967 [0,2,0,0,0,0|2,0,0]=4 5123 B14R1.24 CNC(=O)Cc1ccc(cc1)OCF 34a_200000020795_100015361967 [0,2,0,0,0,0|1,0,0]=3 5124 B14R1.24 CNC(=O)Cc1ccc(cc1)SCF 62a_100000155101_100015361967 [0,2,0,0,0,0|1,1,0]=4 5125 B14R1.24 CNC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000155101 [0,2,0,0,0,0|1,1,0]=4 5126 B14R1.24 CNC(=O)Nc1ccc(cc1)CC#N 2430a_100000198999_100102657272 [0,2,0,0,0,0|1,0,1]=4 5127 B14R1.24 CNC(=O)Nc1ccc(cc1)COC 2430a_100000694113_100102657272 [0,2,0,0,0,0|0,0,0]=2 5128 B14R1.24 CNC(=O)Nc1ccc(cc1)CSC 2430a_106726388226_100102657272 [0,2,0,0,0,0|0,1,0]=3 5129 B14R1.24 CNC(=O)Nc1ccc(cc1)CSC 512a_106726388226_100102657272 [0,2,0,0,0,0|0,1,0]=3 5130 B14R1.24 CNC(=O)Nc1ccc(cc1)N=[N+]=[N-] 2430a_100000032754_100102657272 [0,2,0,0,0,0|2,0,0]=4 5131 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 2230a_106832991635_100009816886 [0,2,0,0,0,0|2,0,0]=4 5132 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 270004a_106832991635_100009886798 [0,2,0,0,0,0|2,0,0]=4 5133 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 34a_100102657272_100009816886 [0,2,0,0,0,0|2,0,0]=4 5134 B14R1.24 CNCc1ccc(cc1)CC(=O)OC 7a_106832991635_100009816886 [0,2,0,0,0,0|2,0,0]=4 5135 B14R1.24 COC(=O)Cc1ccc(cc1)CO[13CH3] 34a_100000087118_200025704644 [0,2,0,0,0,0|1,0,0]=3 5136 B14R1.24 COC(=O)Cc1ccc(cc1)CSC 62a_100009816886_200000210301 [0,2,0,0,0,0|1,1,0]=4 5137 B14R1.24 COC(=O)Cc1ccc(cc1)CSC 62a_200000210301_100009816886 [0,2,0,0,0,0|1,1,0]=4 5138 B14R1.24 COC(=O)Cc1ccc(cc1)CS[13CH3] 62a_100009816886_200025704644 [0,2,0,0,0,0|1,1,0]=4 5139 B14R1.24 COC(=O)Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100009816886 [0,2,0,0,0,0|1,1,0]=4 5140 B14R1.24 COC(=O)Cc1ccc(cc1)OCF 34a_100000211648_100015361967 [0,2,0,0,0,0|1,0,0]=3 5141 B14R1.24 COC(=O)Cc1ccc(cc1)SCF 62a_100000149743_100015361967 [0,2,0,0,0,0|1,1,0]=4 5142 B14R1.24 COC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000149743 [0,2,0,0,0,0|1,1,0]=4 5143 B14R1.24 COC(=O)Nc1ccc(cc1)OCF 34a_100011235918_100015361967 [0,2,0,0,0,0|0,0,0]=2 5144 B14R1.24 COC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000181880 [0,2,0,0,0,0|0,1,0]=3 5145 B14R1.24 COC(=O)Nc1ccc(cn1)SCF 62a_100015361967_100000188976 [0,2,0,0,0,0|1,1,0]=4 5146 B14R1.24 COCc1ccc(cc1)CC(=O)CF 1458a_100011290826_100015361967 [0,2,0,0,0,0|1,0,0]=3 5147 B14R1.24 COCc1ccc(cc1)CC(=O)OC 34a_100000087118_200000210301 [0,2,0,0,0,0|1,0,0]=3 5148 B14R1.24 COCc1ccc(cc1)CC(=O)OC 34a_100138415774_100009816886 [0,2,0,0,0,0|1,0,0]=3 5149 B14R1.24 COCc1ccc(cc1)NC(=O)CO 22a_100000694113_100000210174 [0,2,0,0,0,0|0,0,0]=2 5150 B14R1.24 COCc1ccc(cc1)NC(=O)CO 527a_100000694113_100000210174 [0,2,0,0,0,0|0,0,0]=2 5151 B14R1.24 COCc1ccc(cc1)NC(C)CO 34a_100000694113_100012180447 [0,2,0,0,0,0|0,0,2]=4 5152 B14R1.24 CSCc1ccc(cc1)NC(=O)CO 22a_106726388226_100000210174 [0,2,0,0,0,0|0,1,0]=3 5153 B14R1.24 CSCc1ccc(cc1)NC(=O)CO 527a_106726388226_100000210174 [0,2,0,0,0,0|0,1,0]=3 5154 B14R1.24 N#CCc1ccc(cc1)NC(=O)CO 22a_100000198999_100000210174 [0,2,0,0,0,0|1,0,1]=4 5155 B14R1.24 N#CCc1ccc(cc1)NC(=O)CO 527a_100000198999_100000210174 [0,2,0,0,0,0|1,0,1]=4 5156 B14R1.24 NCC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000741985 [0,2,0,0,0,0|0,1,0]=3 5157 B14R1.24 NNC(=O)Cc1ccc(cc1)OCF 34a_100000020777_100015361967 [0,2,0,0,0,0|2,0,0]=4 5158 B14R1.24 O=C(CCl)Nc1ccc(cc1)OCF 34a_100000233757_100015361967 [0,2,0,0,0,0|0,0,0]=2 5159 B14R1.24 O=C(CO)Nc1ccc(cc1)CCO 22a_100011204434_100000210174 [0,2,0,0,0,0|1,0,0]=3 5160 B14R1.24 O=C(CO)Nc1ccc(cc1)CCO 527a_100011204434_100000210174 [0,2,0,0,0,0|1,0,0]=3 5161 B14R1.24 O=C(CO)Nc1ccc(cc1)NCF 34a_100011269904_100015361967 [0,2,0,0,0,0|1,0,0]=3 5162 B14R1.24 [N-]=[N+]=Nc1ccc(cc1)NC(=O)CO 22a_100000032754_100000210174 [0,2,0,0,0,0|2,0,0]=4 5163 B14R1.954 C#CCC(=O)Cc1ccc(cc1)CC 1458a_100011220946_100000747183 [0,2,0,0,0,0|2,0,0]=4 5164 B14R1.954 C#CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000184674 [0,2,0,0,0,0|2,0,0]=4 5165 B14R1.954 C#CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000184674 [0,2,0,0,0,0|1,0,0]=3 5166 B14R1.954 C#CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000184674 [0,2,0,0,0,0|1,1,0]=4 5167 B14R1.954 C#CCC(=O)Cc1ccc(cc1)SC 1458a_100011220946_100000181263 [0,2,0,0,0,0|1,1,0]=4 5168 B14R1.954 C#CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000184674 [0,2,0,0,0,0|2,0,0]=4 5169 B14R1.954 C#CCC(=O)Cc1ccc(cn1)OC 1458a_100011220946_200000757186 [0,2,0,0,0,0|2,0,0]=4 5170 B14R1.954 C#CCC(=O)Cc1ccc(nc1)OC 1458a_100011220946_100020631284 [0,2,0,0,0,0|2,0,0]=4 5171 B14R1.954 C#CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000184674 [0,2,0,0,0,0|2,0,0]=4 5172 B14R1.954 C#CCC(=O)Nc1ccc(cc1)C#C 1626a_100011215031_100011220946 [0,2,0,0,0,0|1,0,1]=4 5173 B14R1.954 C#CCC(=O)Nc1ccc(cc1)C#C 527a_100011215031_100011220946 [0,2,0,0,0,0|1,0,1]=4 5174 B14R1.954 C#CCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100011220946 [0,2,0,0,0,0|2,0,0]=4 5175 B14R1.954 C#CCC(=O)Nc1ccc(cc1)C=C 1626a_100011218248_100011220946 [0,2,0,0,0,0|1,0,1]=4 5176 B14R1.954 C#CCC(=O)Nc1ccc(cc1)C=C 527a_100011218248_100011220946 [0,2,0,0,0,0|1,0,1]=4 5177 B14R1.954 C#CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100011220946 [0,2,0,0,0,0|1,0,0]=3 5178 B14R1.954 C#CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100011220946 [0,2,0,0,0,0|1,0,0]=3 5179 B14R1.954 C#CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100011220946 [0,2,0,0,0,0|0,0,0]=2 5180 B14R1.954 C#CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100011220946 [0,2,0,0,0,0|0,0,0]=2 5181 B14R1.954 C#CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100011220946 [0,2,0,0,0,0|0,1,0]=3 5182 B14R1.954 C#Cc1ccc(cc1)NC(=O)C#CC 22a_100011215031_100000763181 [0,2,0,0,0,0|1,0,1]=4 5183 B14R1.954 C#Cc1ccc(cc1)NC(=O)C=CC 11a_100011215031_100000210699 [0,2,0,0,0,0|1,0,1]=4 5184 B14R1.954 C#Cc1ccc(cc1)NC(=O)C=CC 1626a_100011215031_100000210699 [0,2,0,0,0,0|1,0,1]=4 5185 B14R1.954 C#Cc1ccc(cc1)NC(=O)C=CC 22a_100011215031_100000210699 [0,2,0,0,0,0|1,0,1]=4 5186 B14R1.954 C#Cc1ccc(cc1)NC(=O)CC#N 1626a_100011215031_100051588842 [0,2,0,0,0,0|1,0,1]=4 5187 B14R1.954 C#Cc1ccc(cc1)NC(=O)CC#N 22a_100011215031_100051588842 [0,2,0,0,0,0|1,0,1]=4 5188 B14R1.954 C#Cc1ccc(cc1)NC(=O)CC=C 11a_100011215031_100000210193 [0,2,0,0,0,0|1,0,1]=4 5189 B14R1.954 C#Cc1ccc(cc1)NC(=O)CC=C 1626a_100011215031_100000210193 [0,2,0,0,0,0|1,0,1]=4 5190 B14R1.954 C#Cc1ccc(cc1)NC(=O)CC=C 22a_100011215031_100000210193 [0,2,0,0,0,0|1,0,1]=4 5191 B14R1.954 C#Cc1ccc(cc1)NC(=O)CC=C 527a_100011215031_100000210193 [0,2,0,0,0,0|1,0,1]=4 5192 B14R1.954 C#Cc1ccc(cc1)NC(=O)CCC 11a_100011215031_100000211992 [0,2,0,0,0,0|1,0,1]=4 5193 B14R1.954 C#Cc1ccc(cc1)NC(=O)CCC 1626a_100011215031_100000211992 [0,2,0,0,0,0|1,0,1]=4 5194 B14R1.954 C#Cc1ccc(cc1)NC(=O)CCC 22a_100011215031_100000211992 [0,2,0,0,0,0|1,0,1]=4 5195 B14R1.954 C#Cc1ccc(cc1)NC(=O)CCC 527a_100011215031_100000211992 [0,2,0,0,0,0|1,0,1]=4 5196 B14R1.954 C#Cc1ccc(cc1)NC(=O)CCO 22a_100011215031_100011216618 [0,2,0,0,0,0|1,0,1]=4 5197 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 11a_100011215031_100000210968 [0,2,0,0,0,0|1,0,1]=4 5198 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 1626a_100011215031_100000210968 [0,2,0,0,0,0|1,0,1]=4 5199 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 22a_100011215031_100000210968 [0,2,0,0,0,0|1,0,1]=4 5200 B14R1.954 C#Cc1ccc(cc1)NC(=O)COC 527a_100011215031_100000210968 [0,2,0,0,0,0|1,0,1]=4 5201 B14R1.954 C#Cc1ccc(cc1)NC(=O)CSC 11a_100011215031_100000184570 [0,2,0,0,0,0|1,0,1]=4 5202 B14R1.954 C#Cc1ccc(cc1)NC(=O)CSC 1626a_100011215031_100000184570 [0,2,0,0,0,0|1,0,1]=4 5203 B14R1.954 C#Cc1ccc(cc1)NC(=O)CSC 22a_100011215031_100000184570 [0,2,0,0,0,0|1,0,1]=4 5204 B14R1.954 C#Cc1ccc(cc1)NC(=O)CSC 527a_100011215031_100000184570 [0,2,0,0,0,0|1,0,1]=4 5205 B14R1.954 C#Cc1ccc(cc1)NC(=O)NCC 2430a_100011215031_100015525214 [0,2,0,0,0,0|1,0,1]=4 5206 B14R1.954 C#Cc1ccc(cc1)NC(=O)NCC 512a_100011215031_100015525214 [0,2,0,0,0,0|1,0,1]=4 5207 B14R1.954 C#Cc1ccc(cc1)NC(=O)NNC 512a_100011215031_100016993582 [0,2,0,0,0,0|1,0,1]=4 5208 B14R1.954 C=CCC(=O)Cc1ccc(cc1)CC 1458a_100000210193_100000747183 [0,2,0,0,0,0|2,0,0]=4 5209 B14R1.954 C=CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210623 [0,2,0,0,0,0|2,0,0]=4 5210 B14R1.954 C=CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210623 [0,2,0,0,0,0|1,0,0]=3 5211 B14R1.954 C=CCC(=O)Cc1ccc(cc1)SC 1458a_100000210193_100000181263 [0,2,0,0,0,0|1,1,0]=4 5212 B14R1.954 C=CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210623 [0,2,0,0,0,0|1,1,0]=4 5213 B14R1.954 C=CCC(=O)Cc1ccc(cn1)OC 1458a_100000210193_200000757186 [0,2,0,0,0,0|2,0,0]=4 5214 B14R1.954 C=CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210623 [0,2,0,0,0,0|2,0,0]=4 5215 B14R1.954 C=CCC(=O)Cc1ccc(nc1)OC 1458a_100000210193_100020631284 [0,2,0,0,0,0|2,0,0]=4 5216 B14R1.954 C=CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210623 [0,2,0,0,0,0|2,0,0]=4 5217 B14R1.954 C=CCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210193 [0,2,0,0,0,0|2,0,0]=4 5218 B14R1.954 C=CCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210193 [0,2,0,0,0,0|2,0,0]=4 5219 B14R1.954 C=CCC(=O)Nc1ccc(cc1)C=C 11a_100011218248_100000210193 [0,2,0,0,0,0|1,0,1]=4 5220 B14R1.954 C=CCC(=O)Nc1ccc(cc1)C=C 1626a_100011218248_100000210193 [0,2,0,0,0,0|1,0,1]=4 5221 B14R1.954 C=CCC(=O)Nc1ccc(cc1)C=C 22a_100011218248_100000210193 [0,2,0,0,0,0|1,0,1]=4 5222 B14R1.954 C=CCC(=O)Nc1ccc(cc1)C=C 527a_100011218248_100000210193 [0,2,0,0,0,0|1,0,1]=4 5223 B14R1.954 C=CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210193 [0,2,0,0,0,0|1,0,0]=3 5224 B14R1.954 C=CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210193 [0,2,0,0,0,0|1,0,0]=3 5225 B14R1.954 C=CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210193 [0,2,0,0,0,0|1,0,0]=3 5226 B14R1.954 C=CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210193 [0,2,0,0,0,0|1,0,0]=3 5227 B14R1.954 C=CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210193 [0,2,0,0,0,0|2,0,0]=4 5228 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210193 [0,2,0,0,0,0|0,0,0]=2 5229 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210193 [0,2,0,0,0,0|0,0,0]=2 5230 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210193 [0,2,0,0,0,0|0,0,0]=2 5231 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210193 [0,2,0,0,0,0|0,0,0]=2 5232 B14R1.954 C=CCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210193 [0,2,0,0,0,0|0,1,0]=3 5233 B14R1.954 C=CCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210193 [0,2,0,0,0,0|0,1,0]=3 5234 B14R1.954 C=CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210193 [0,2,0,0,0,0|0,1,0]=3 5235 B14R1.954 C=Cc1ccc(cc1)NC(=O)C#CC 22a_100011218248_100000763181 [0,2,0,0,0,0|1,0,1]=4 5236 B14R1.954 C=Cc1ccc(cc1)NC(=O)C=CC 11a_100011218248_100000210699 [0,2,0,0,0,0|1,0,1]=4 5237 B14R1.954 C=Cc1ccc(cc1)NC(=O)C=CC 1626a_100011218248_100000210699 [0,2,0,0,0,0|1,0,1]=4 5238 B14R1.954 C=Cc1ccc(cc1)NC(=O)C=CC 22a_100011218248_100000210699 [0,2,0,0,0,0|1,0,1]=4 5239 B14R1.954 C=Cc1ccc(cc1)NC(=O)CC#N 1626a_100011218248_100051588842 [0,2,0,0,0,0|1,0,1]=4 5240 B14R1.954 C=Cc1ccc(cc1)NC(=O)CC#N 22a_100011218248_100051588842 [0,2,0,0,0,0|1,0,1]=4 5241 B14R1.954 C=Cc1ccc(cc1)NC(=O)CC#N 271570a_100011290941_100000187967 [0,2,0,0,0,0|1,0,1]=4 5242 B14R1.954 C=Cc1ccc(cc1)NC(=O)CCC 11a_100011218248_100000211992 [0,2,0,0,0,0|1,0,1]=4 5243 B14R1.954 C=Cc1ccc(cc1)NC(=O)CCC 1626a_100011218248_100000211992 [0,2,0,0,0,0|1,0,1]=4 5244 B14R1.954 C=Cc1ccc(cc1)NC(=O)CCC 22a_100011218248_100000211992 [0,2,0,0,0,0|1,0,1]=4 5245 B14R1.954 C=Cc1ccc(cc1)NC(=O)CCC 527a_100011218248_100000211992 [0,2,0,0,0,0|1,0,1]=4 5246 B14R1.954 C=Cc1ccc(cc1)NC(=O)CCN 271570a_100011290941_100000743120 [0,2,0,0,0,0|1,0,1]=4 5247 B14R1.954 C=Cc1ccc(cc1)NC(=O)CCO 22a_100011218248_100011216618 [0,2,0,0,0,0|1,0,1]=4 5248 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 11a_100011218248_100000210968 [0,2,0,0,0,0|1,0,1]=4 5249 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 1626a_100011218248_100000210968 [0,2,0,0,0,0|1,0,1]=4 5250 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 22a_100011218248_100000210968 [0,2,0,0,0,0|1,0,1]=4 5251 B14R1.954 C=Cc1ccc(cc1)NC(=O)COC 527a_100011218248_100000210968 [0,2,0,0,0,0|1,0,1]=4 5252 B14R1.954 C=Cc1ccc(cc1)NC(=O)CSC 11a_100011218248_100000184570 [0,2,0,0,0,0|1,0,1]=4 5253 B14R1.954 C=Cc1ccc(cc1)NC(=O)CSC 1626a_100011218248_100000184570 [0,2,0,0,0,0|1,0,1]=4 5254 B14R1.954 C=Cc1ccc(cc1)NC(=O)CSC 22a_100011218248_100000184570 [0,2,0,0,0,0|1,0,1]=4 5255 B14R1.954 C=Cc1ccc(cc1)NC(=O)CSC 527a_100011218248_100000184570 [0,2,0,0,0,0|1,0,1]=4 5256 B14R1.954 C=Cc1ccc(cc1)NC(=O)NCC 2430a_100011218248_100015525214 [0,2,0,0,0,0|1,0,1]=4 5257 B14R1.954 C=Cc1ccc(cc1)NC(=O)OCC 271570a_100011290941_100000158341 [0,2,0,0,0,0|1,0,1]=4 5258 B14R1.954 CC#CC(=O)Cc1ccc(cc1)CC 1458a_100000763181_100000747183 [0,2,0,0,0,0|2,0,0]=4 5259 B14R1.954 CC#CC(=O)Cc1ccc(cc1)SC 1458a_100000763181_100000181263 [0,2,0,0,0,0|1,1,0]=4 5260 B14R1.954 CC#CC(=O)Cc1ccc(cn1)OC 1458a_100000763181_200000757186 [0,2,0,0,0,0|2,0,0]=4 5261 B14R1.954 CC#CC(=O)Cc1ccc(nc1)OC 1458a_100000763181_100020631284 [0,2,0,0,0,0|2,0,0]=4 5262 B14R1.954 CC#CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000763181 [0,2,0,0,0,0|1,0,0]=3 5263 B14R1.954 CC#CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000763181 [0,2,0,0,0,0|2,0,0]=4 5264 B14R1.954 CC#CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000763181 [0,2,0,0,0,0|0,0,0]=2 5265 B14R1.954 CC#CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000763181 [0,2,0,0,0,0|0,1,0]=3 5266 B14R1.954 CC=CC(=O)Cc1ccc(cc1)CC 1458a_100000210699_100000747183 [0,2,0,0,0,0|2,0,0]=4 5267 B14R1.954 CC=CC(=O)Cc1ccc(cc1)SC 1458a_100000210699_100000181263 [0,2,0,0,0,0|1,1,0]=4 5268 B14R1.954 CC=CC(=O)Cc1ccc(cn1)OC 1458a_100000210699_200000757186 [0,2,0,0,0,0|2,0,0]=4 5269 B14R1.954 CC=CC(=O)Cc1ccc(nc1)OC 1458a_100000210699_100020631284 [0,2,0,0,0,0|2,0,0]=4 5270 B14R1.954 CC=CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210699 [0,2,0,0,0,0|2,0,0]=4 5271 B14R1.954 CC=CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210699 [0,2,0,0,0,0|2,0,0]=4 5272 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210699 [0,2,0,0,0,0|1,0,0]=3 5273 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210699 [0,2,0,0,0,0|1,0,0]=3 5274 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210699 [0,2,0,0,0,0|1,0,0]=3 5275 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210699 [0,2,0,0,0,0|2,0,0]=4 5276 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210699 [0,2,0,0,0,0|0,0,0]=2 5277 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210699 [0,2,0,0,0,0|0,0,0]=2 5278 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210699 [0,2,0,0,0,0|0,0,0]=2 5279 B14R1.954 CC=CC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210699 [0,2,0,0,0,0|0,1,0]=3 5280 B14R1.954 CC=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210699 [0,2,0,0,0,0|0,1,0]=3 5281 B14R1.954 CCCC(=O)Cc1ccc(cc1)CC 1458a_100000211992_100000747183 [0,2,0,0,0,0|2,0,0]=4 5282 B14R1.954 CCCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210303 [0,2,0,0,0,0|2,0,0]=4 5283 B14R1.954 CCCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210303 [0,2,0,0,0,0|1,0,0]=3 5284 B14R1.954 CCCC(=O)Cc1ccc(cc1)SC 1458a_100000211992_100000181263 [0,2,0,0,0,0|1,1,0]=4 5285 B14R1.954 CCCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210303 [0,2,0,0,0,0|1,1,0]=4 5286 B14R1.954 CCCC(=O)Cc1ccc(cn1)OC 1458a_100000211992_200000757186 [0,2,0,0,0,0|2,0,0]=4 5287 B14R1.954 CCCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210303 [0,2,0,0,0,0|2,0,0]=4 5288 B14R1.954 CCCC(=O)Cc1ccc(nc1)OC 1458a_100000211992_100020631284 [0,2,0,0,0,0|2,0,0]=4 5289 B14R1.954 CCCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210303 [0,2,0,0,0,0|2,0,0]=4 5290 B14R1.954 CCCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000211992 [0,2,0,0,0,0|2,0,0]=4 5291 B14R1.954 CCCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000211992 [0,2,0,0,0,0|2,0,0]=4 5292 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000211992 [0,2,0,0,0,0|1,0,0]=3 5293 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000211992 [0,2,0,0,0,0|1,0,0]=3 5294 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000211992 [0,2,0,0,0,0|1,0,0]=3 5295 B14R1.954 CCCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000211992 [0,2,0,0,0,0|1,0,0]=3 5296 B14R1.954 CCCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000211992 [0,2,0,0,0,0|2,0,0]=4 5297 B14R1.954 CCCC(=O)Nc1ccc(cc1)NC 34a_200000186512_200000210301 [0,2,0,0,0,0|1,0,0]=3 5298 B14R1.954 CCCC(=O)Nc1ccc(cc1)N[13CH3] 34a_200000186512_200025704644 [0,2,0,0,0,0|1,0,0]=3 5299 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000211992 [0,2,0,0,0,0|0,0,0]=2 5300 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000211992 [0,2,0,0,0,0|0,0,0]=2 5301 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000211992 [0,2,0,0,0,0|0,0,0]=2 5302 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 34a_200011217123_200000210301 [0,2,0,0,0,0|0,0,0]=2 5303 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000211992 [0,2,0,0,0,0|0,0,0]=2 5304 B14R1.954 CCCC(=O)Nc1ccc(cc1)OC 7a_200011217123_200000210301 [0,2,0,0,0,0|0,0,0]=2 5305 B14R1.954 CCCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200011217123_200025704644 [0,2,0,0,0,0|0,0,0]=2 5306 B14R1.954 CCCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200011217123_200025704644 [0,2,0,0,0,0|0,0,0]=2 5307 B14R1.954 CCCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000211992 [0,2,0,0,0,0|0,1,0]=3 5308 B14R1.954 CCCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000211992 [0,2,0,0,0,0|0,1,0]=3 5309 B14R1.954 CCCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000211992 [0,2,0,0,0,0|0,1,0]=3 5310 B14R1.954 CCCC(=O)Nc1ccc(cn1)SC 62a_200000210301_100000193317 [0,2,0,0,0,0|1,1,0]=4 5311 B14R1.954 CCCC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193317 [0,2,0,0,0,0|1,1,0]=4 5312 B14R1.954 CCCC(C)Nc1ccc(cc1)OC 34a_100000184247_100000766640 [0,2,0,0,0,0|1,0,1]=4 5313 B14R1.954 CCNC(=O)Cc1ccc(cc1)CC 11a_100015525214_200000759805 [0,2,0,0,0,0|2,0,0]=4 5314 B14R1.954 CCNC(=O)Cc1ccc(cc1)CC 240690a_100015525214_200000759805 [0,2,0,0,0,0|2,0,0]=4 5315 B14R1.954 CCNC(=O)Cc1ccc(cc1)CC 527a_100015525214_200000759805 [0,2,0,0,0,0|2,0,0]=4 5316 B14R1.954 CCNC(=O)Cc1ccc(cc1)OC 11a_100015525214_100000210706 [0,2,0,0,0,0|1,0,0]=3 5317 B14R1.954 CCNC(=O)Cc1ccc(cc1)OC 240690a_100015525214_100000210706 [0,2,0,0,0,0|1,0,0]=3 5318 B14R1.954 CCNC(=O)Cc1ccc(cc1)OC 527a_100015525214_100000210706 [0,2,0,0,0,0|1,0,0]=3 5319 B14R1.954 CCNC(=O)Cc1ccc(cc1)SC 11a_100015525214_100000756958 [0,2,0,0,0,0|1,1,0]=4 5320 B14R1.954 CCNC(=O)Cc1ccc(cc1)SC 240690a_100015525214_100000756958 [0,2,0,0,0,0|1,1,0]=4 5321 B14R1.954 CCNC(=O)Cc1ccc(cc1)SC 527a_100015525214_100000756958 [0,2,0,0,0,0|1,1,0]=4 5322 B14R1.954 CCNC(=O)Cc1ccc(cn1)OC 11a_100015525214_100000722272 [0,2,0,0,0,0|2,0,0]=4 5323 B14R1.954 CCNC(=O)Cc1ccc(cn1)OC 240690a_100015525214_100000722272 [0,2,0,0,0,0|2,0,0]=4 5324 B14R1.954 CCNC(=O)Cc1ccc(cn1)OC 527a_100015525214_100000722272 [0,2,0,0,0,0|2,0,0]=4 5325 B14R1.954 CCNC(=O)Cc1ccc(nc1)OC 11a_100015525214_100012001117 [0,2,0,0,0,0|2,0,0]=4 5326 B14R1.954 CCNC(=O)Cc1ccc(nc1)OC 240690a_100015525214_100012001117 [0,2,0,0,0,0|2,0,0]=4 5327 B14R1.954 CCNC(=O)Cc1ccc(nc1)OC 527a_100015525214_100012001117 [0,2,0,0,0,0|2,0,0]=4 5328 B14R1.954 CCNC(=O)Nc1ccc(cc1)C#N 2430a_100000185469_100015525214 [0,2,0,0,0,0|2,0,0]=4 5329 B14R1.954 CCNC(=O)Nc1ccc(cc1)CC 2430a_100000211069_100015525214 [0,2,0,0,0,0|1,0,0]=3 5330 B14R1.954 CCNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100015525214 [0,2,0,0,0,0|2,0,0]=4 5331 B14R1.954 CCNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100015525214 [0,2,0,0,0,0|0,0,0]=2 5332 B14R1.954 CCNC(=O)Nc1ccc(cc1)SC 2430a_100000212337_100015525214 [0,2,0,0,0,0|0,1,0]=3 5333 B14R1.954 CCOC(=O)Cc1ccc(cc1)OC 34a_100011212766_200000210301 [0,2,0,0,0,0|1,0,0]=3 5334 B14R1.954 CCOC(=O)Cc1ccc(cc1)OC 7a_100011212766_200000210301 [0,2,0,0,0,0|1,0,0]=3 5335 B14R1.954 CCOC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011212766_200025704644 [0,2,0,0,0,0|1,0,0]=3 5336 B14R1.954 CCOC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011212766_200025704644 [0,2,0,0,0,0|1,0,0]=3 5337 B14R1.954 CCOC(=O)Cc1ccc(cc1)SC 62a_100000170549_200000210301 [0,2,0,0,0,0|1,1,0]=4 5338 B14R1.954 CCOC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000170549 [0,2,0,0,0,0|1,1,0]=4 5339 B14R1.954 CCOC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000170549_200025704644 [0,2,0,0,0,0|1,1,0]=4 5340 B14R1.954 CCOC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000170549 [0,2,0,0,0,0|1,1,0]=4 5341 B14R1.954 CCOC(=O)Nc1ccc(cc1)OC 34a_100000190837_200000210301 [0,2,0,0,0,0|0,0,0]=2 5342 B14R1.954 CCOC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000190837_200025704644 [0,2,0,0,0,0|0,0,0]=2 5343 B14R1.954 CCOC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000158341 [0,2,0,0,0,0|0,1,0]=3 5344 B14R1.954 CCOC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000158341 [0,2,0,0,0,0|0,1,0]=3 5345 B14R1.954 CCc1ccc(cc1)CC(=O)CC#N 1458a_100051588842_100000747183 [0,2,0,0,0,0|2,0,0]=4 5346 B14R1.954 CCc1ccc(cc1)CC(=O)CC#N 1458a_200000759805_100011214920 [0,2,0,0,0,0|2,0,0]=4 5347 B14R1.954 CCc1ccc(cc1)CC(=O)CCF 1458a_200000759805_100011217306 [0,2,0,0,0,0|2,0,0]=4 5348 B14R1.954 CCc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000747183 [0,2,0,0,0,0|2,0,0]=4 5349 B14R1.954 CCc1ccc(cc1)CC(=O)CCO 1458a_200000759805_100000211926 [0,2,0,0,0,0|2,0,0]=4 5350 B14R1.954 CCc1ccc(cc1)CC(=O)COC 1458a_100000210968_100000747183 [0,2,0,0,0,0|2,0,0]=4 5351 B14R1.954 CCc1ccc(cc1)CC(=O)CSC 1458a_100000184570_100000747183 [0,2,0,0,0,0|2,0,0]=4 5352 B14R1.954 CCc1ccc(cc1)CC(=O)NNC 22a_100016993582_200000759805 [0,2,0,0,0,0|2,0,0]=4 5353 B14R1.954 CCc1ccc(cc1)NC(=O)C=CBr 1626a_100000211069_100016273825 [0,2,0,0,0,0|1,0,1]=4 5354 B14R1.954 CCc1ccc(cc1)NC(=O)C=CCl 11a_100000211069_200016279998 [0,2,0,0,0,0|1,0,1]=4 5355 B14R1.954 CCc1ccc(cc1)NC(=O)C=CCl 1626a_100000211069_200016279998 [0,2,0,0,0,0|1,0,1]=4 5356 B14R1.954 CCc1ccc(cc1)NC(=O)C=CI 1626a_100000211069_100016256311 [0,2,0,0,0,0|1,0,1]=4 5357 B14R1.954 CCc1ccc(cc1)NC(=O)CC#N 1626a_100000211069_100051588842 [0,2,0,0,0,0|1,0,0]=3 5358 B14R1.954 CCc1ccc(cc1)NC(=O)CC#N 22a_100000211069_100051588842 [0,2,0,0,0,0|1,0,0]=3 5359 B14R1.954 CCc1ccc(cc1)NC(=O)CCO 22a_100000211069_100011216618 [0,2,0,0,0,0|1,0,0]=3 5360 B14R1.954 CCc1ccc(cc1)NC(=O)CNC 2230a_106832991635_100000183192 [0,2,0,0,0,0|1,0,0]=3 5361 B14R1.954 CCc1ccc(cc1)NC(=O)CNC 34a_100102657272_100000183192 [0,2,0,0,0,0|1,0,0]=3 5362 B14R1.954 CCc1ccc(cc1)NC(=O)CNC 7a_106832991635_100000183192 [0,2,0,0,0,0|1,0,0]=3 5363 B14R1.954 CCc1ccc(cc1)NC(=O)COC 11a_100000211069_100000210968 [0,2,0,0,0,0|1,0,0]=3 5364 B14R1.954 CCc1ccc(cc1)NC(=O)COC 1626a_100000211069_100000210968 [0,2,0,0,0,0|1,0,0]=3 5365 B14R1.954 CCc1ccc(cc1)NC(=O)COC 22a_100000211069_100000210968 [0,2,0,0,0,0|1,0,0]=3 5366 B14R1.954 CCc1ccc(cc1)NC(=O)COC 34a_100138415774_100000183192 [0,2,0,0,0,0|1,0,0]=3 5367 B14R1.954 CCc1ccc(cc1)NC(=O)COC 527a_100000211069_100000210968 [0,2,0,0,0,0|1,0,0]=3 5368 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 11a_100000211069_100000184570 [0,2,0,0,0,0|1,0,0]=3 5369 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 1626a_100000211069_100000184570 [0,2,0,0,0,0|1,0,0]=3 5370 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 22a_100000211069_100000184570 [0,2,0,0,0,0|1,0,0]=3 5371 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 527a_100000211069_100000184570 [0,2,0,0,0,0|1,0,0]=3 5372 B14R1.954 CCc1ccc(cc1)NC(=O)CSC 62a_200000210301_100000183192 [0,2,0,0,0,0|1,0,0]=3 5373 B14R1.954 CCc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000183192 [0,2,0,0,0,0|1,0,0]=3 5374 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 2230a_100025754840_200000210301 [0,2,0,0,0,0|0,0,0]=2 5375 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 2230a_106832991635_100000182860 [0,2,0,0,0,0|0,0,0]=2 5376 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 34a_100102657272_100000182860 [0,2,0,0,0,0|0,0,0]=2 5377 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 7a_106832991635_100000182860 [0,2,0,0,0,0|0,0,0]=2 5378 B14R1.954 CNCC(=O)Nc1ccc(cc1)SC 2230a_106832991635_100000239573 [0,2,0,0,0,0|0,1,0]=3 5379 B14R1.954 CNCC(=O)Nc1ccc(cc1)SC 34a_100102657272_100000239573 [0,2,0,0,0,0|0,1,0]=3 5380 B14R1.954 CNCC(=O)Nc1ccc(cc1)SC 7a_106832991635_100000239573 [0,2,0,0,0,0|0,1,0]=3 5381 B14R1.954 CNCC(=O)Nc1ccc(nc1)OC 2230a_106832991635_100000737755 [0,2,0,0,0,0|1,0,0]=3 5382 B14R1.954 CNCC(=O)Nc1ccc(nc1)OC 34a_100102657272_100000737755 [0,2,0,0,0,0|1,0,0]=3 5383 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 2230a_106832991635_100010004613 [0,2,0,0,0,0|1,0,0]=3 5384 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 34a_100102657272_100010004613 [0,2,0,0,0,0|1,0,0]=3 5385 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 7a_106832991635_100010004613 [0,2,0,0,0,0|1,0,0]=3 5386 B14R1.954 CNNC(=O)Cc1ccc(cc1)OC 22a_100016993582_100000210706 [0,2,0,0,0,0|1,0,0]=3 5387 B14R1.954 CNNC(=O)Cc1ccc(cc1)SC 22a_100016993582_100000756958 [0,2,0,0,0,0|1,1,0]=4 5388 B14R1.954 CNNC(=O)Cc1ccc(cn1)OC 22a_100016993582_100000722272 [0,2,0,0,0,0|2,0,0]=4 5389 B14R1.954 CNNC(=O)Cc1ccc(nc1)OC 22a_100016993582_100012001117 [0,2,0,0,0,0|2,0,0]=4 5390 B14R1.954 CNc1ccc(cc1)NC(=O)COC 34a_100000736724_200000210301 [0,2,0,0,0,0|1,0,0]=3 5391 B14R1.954 COCC(=O)Cc1ccc(cc1)SC 1458a_100000210968_100000181263 [0,2,0,0,0,0|1,1,0]=4 5392 B14R1.954 COCC(=O)Cc1ccc(cn1)OC 1458a_100000210968_200000757186 [0,2,0,0,0,0|2,0,0]=4 5393 B14R1.954 COCC(=O)Cc1ccc(nc1)OC 1458a_100000210968_100020631284 [0,2,0,0,0,0|2,0,0]=4 5394 B14R1.954 COCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210968 [0,2,0,0,0,0|2,0,0]=4 5395 B14R1.954 COCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210968 [0,2,0,0,0,0|2,0,0]=4 5396 B14R1.954 COCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210968 [0,2,0,0,0,0|2,0,0]=4 5397 B14R1.954 COCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000736724_200025704644 [0,2,0,0,0,0|1,0,0]=3 5398 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210968 [0,2,0,0,0,0|0,0,0]=2 5399 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210968 [0,2,0,0,0,0|0,0,0]=2 5400 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210968 [0,2,0,0,0,0|0,0,0]=2 5401 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 34a_100138415774_100000182860 [0,2,0,0,0,0|0,0,0]=2 5402 B14R1.954 COCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210968 [0,2,0,0,0,0|0,0,0]=2 5403 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210968 [0,2,0,0,0,0|0,1,0]=3 5404 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210968 [0,2,0,0,0,0|0,1,0]=3 5405 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 34a_100138415774_100000239573 [0,2,0,0,0,0|0,1,0]=3 5406 B14R1.954 COCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210968 [0,2,0,0,0,0|0,1,0]=3 5407 B14R1.954 COCC(=O)Nc1ccc(nc1)OC 34a_100138415774_100000737755 [0,2,0,0,0,0|1,0,0]=3 5408 B14R1.954 COCC(=O)Oc1ccc(cc1)OC 34a_100138415774_100010004613 [0,2,0,0,0,0|1,0,0]=3 5409 B14R1.954 COCC(C)Nc1ccc(cc1)OC 34a_100000184247_100000765312 [0,2,0,0,0,0|0,0,2]=4 5410 B14R1.954 COc1ccc(cc1)CC(=O)CC#N 1458a_100000210706_100011214920 [0,2,0,0,0,0|1,0,0]=3 5411 B14R1.954 COc1ccc(cc1)CC(=O)CCF 1458a_100000210706_100011217306 [0,2,0,0,0,0|1,0,0]=3 5412 B14R1.954 COc1ccc(cc1)CC(=O)CCO 1458a_100000210706_100000211926 [0,2,0,0,0,0|1,0,0]=3 5413 B14R1.954 COc1ccc(cc1)CN(C)CC=O 2230a_100000184145_200015260668 [0,2,0,0,0,0|2,0,0]=4 5414 B14R1.954 COc1ccc(cc1)CN(C)CC=O 269982a_100000184145_200015260668 [0,2,0,0,0,0|2,0,0]=4 5415 B14R1.954 COc1ccc(cc1)NC(=O)C=CBr 1626a_100000184247_100016273825 [0,2,0,0,0,0|0,0,1]=3 5416 B14R1.954 COc1ccc(cc1)NC(=O)C=CCl 11a_100000184247_200016279998 [0,2,0,0,0,0|0,0,1]=3 5417 B14R1.954 COc1ccc(cc1)NC(=O)C=CCl 1626a_100000184247_200016279998 [0,2,0,0,0,0|0,0,1]=3 5418 B14R1.954 COc1ccc(cc1)NC(=O)C=CI 1626a_100000184247_100016256311 [0,2,0,0,0,0|0,0,1]=3 5419 B14R1.954 COc1ccc(cc1)NC(=O)CC#N 1626a_100000184247_100051588842 [0,2,0,0,0,0|0,0,0]=2 5420 B14R1.954 COc1ccc(cc1)NC(=O)CC#N 22a_100000184247_100051588842 [0,2,0,0,0,0|0,0,0]=2 5421 B14R1.954 COc1ccc(cc1)NC(=O)CCCl 34a_100011302330_200000210301 [0,2,0,0,0,0|0,0,0]=2 5422 B14R1.954 COc1ccc(cc1)NC(=O)CCCl 7a_100011302330_200000210301 [0,2,0,0,0,0|0,0,0]=2 5423 B14R1.954 COc1ccc(cc1)NC(=O)CCO 22a_100000184247_100011216618 [0,2,0,0,0,0|0,0,0]=2 5424 B14R1.954 COc1ccc(cc1)NC(=O)CN[13CH3] 2230a_100025754840_200025704644 [0,2,0,0,0,0|0,0,0]=2 5425 B14R1.954 COc1ccc(cc1)NC(=O)CSC 11a_100000184247_100000184570 [0,2,0,0,0,0|0,0,0]=2 5426 B14R1.954 COc1ccc(cc1)NC(=O)CSC 1626a_100000184247_100000184570 [0,2,0,0,0,0|0,0,0]=2 5427 B14R1.954 COc1ccc(cc1)NC(=O)CSC 22a_100000184247_100000184570 [0,2,0,0,0,0|0,0,0]=2 5428 B14R1.954 COc1ccc(cc1)NC(=O)CSC 527a_100000184247_100000184570 [0,2,0,0,0,0|0,0,0]=2 5429 B14R1.954 COc1ccc(cc1)NC(=O)CSC 62a_200000210301_100000182860 [0,2,0,0,0,0|0,0,0]=2 5430 B14R1.954 COc1ccc(cc1)NC(=O)CSC 62a_200000243728_200000210301 [0,2,0,0,0,0|0,0,0]=2 5431 B14R1.954 COc1ccc(cc1)NC(=O)CS[13CH3] 62a_200000243728_200025704644 [0,2,0,0,0,0|0,0,0]=2 5432 B14R1.954 COc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000182860 [0,2,0,0,0,0|0,0,0]=2 5433 B14R1.954 COc1ccc(cc1)NC(C)CCO 34a_100000184247_100009893172 [0,2,0,0,0,0|0,0,2]=4 5434 B14R1.954 COc1ccc(cc1)OC(=O)CSC 62a_200000210301_100010004613 [0,2,0,0,0,0|1,0,0]=3 5435 B14R1.954 COc1ccc(cc1)OC(=O)CS[13CH3] 62a_200025704644_100010004613 [0,2,0,0,0,0|1,0,0]=3 5436 B14R1.954 COc1ccc(cn1)CC(=O)CC#N 1458a_100012001117_100011214920 [0,2,0,0,0,0|2,0,0]=4 5437 B14R1.954 COc1ccc(cn1)CC(=O)CC#N 1458a_100051588842_100020631284 [0,2,0,0,0,0|2,0,0]=4 5438 B14R1.954 COc1ccc(cn1)CC(=O)CCF 1458a_100012001117_100011217306 [0,2,0,0,0,0|2,0,0]=4 5439 B14R1.954 COc1ccc(cn1)CC(=O)CCO 1458a_100011216618_100020631284 [0,2,0,0,0,0|2,0,0]=4 5440 B14R1.954 COc1ccc(cn1)CC(=O)CCO 1458a_100012001117_100000211926 [0,2,0,0,0,0|2,0,0]=4 5441 B14R1.954 COc1ccc(cn1)CC(=O)CSC 1458a_100000184570_100020631284 [0,2,0,0,0,0|2,0,0]=4 5442 B14R1.954 COc1ccc(cn1)NC(=O)CSC 62a_200000210301_100000737755 [0,2,0,0,0,0|1,0,0]=3 5443 B14R1.954 COc1ccc(cn1)NC(=O)CS[13CH3] 62a_200025704644_100000737755 [0,2,0,0,0,0|1,0,0]=3 5444 B14R1.954 COc1ccc(nc1)CC(=O)CC#N 1458a_100000722272_100011214920 [0,2,0,0,0,0|2,0,0]=4 5445 B14R1.954 COc1ccc(nc1)CC(=O)CC#N 1458a_100051588842_200000757186 [0,2,0,0,0,0|2,0,0]=4 5446 B14R1.954 COc1ccc(nc1)CC(=O)CCF 1458a_100000722272_100011217306 [0,2,0,0,0,0|2,0,0]=4 5447 B14R1.954 COc1ccc(nc1)CC(=O)CCO 1458a_100000722272_100000211926 [0,2,0,0,0,0|2,0,0]=4 5448 B14R1.954 COc1ccc(nc1)CC(=O)CCO 1458a_100011216618_200000757186 [0,2,0,0,0,0|2,0,0]=4 5449 B14R1.954 COc1ccc(nc1)CC(=O)CSC 1458a_100000184570_200000757186 [0,2,0,0,0,0|2,0,0]=4 5450 B14R1.954 CSCC(=O)Cc1ccc(cc1)SC 1458a_100000184570_100000181263 [0,2,0,0,0,0|1,1,0]=4 5451 B14R1.954 CSCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000184570 [0,2,0,0,0,0|2,0,0]=4 5452 B14R1.954 CSCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000184570 [0,2,0,0,0,0|2,0,0]=4 5453 B14R1.954 CSCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000184570 [0,2,0,0,0,0|2,0,0]=4 5454 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000184570 [0,2,0,0,0,0|0,1,0]=3 5455 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000184570 [0,2,0,0,0,0|0,1,0]=3 5456 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000184570 [0,2,0,0,0,0|0,1,0]=3 5457 B14R1.954 CSCC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000239573 [0,2,0,0,0,0|0,1,0]=3 5458 B14R1.954 CSc1ccc(cc1)CC(=O)CC#N 1458a_100000756958_100011214920 [0,2,0,0,0,0|1,1,0]=4 5459 B14R1.954 CSc1ccc(cc1)CC(=O)CC#N 1458a_100051588842_100000181263 [0,2,0,0,0,0|1,1,0]=4 5460 B14R1.954 CSc1ccc(cc1)CC(=O)CCF 1458a_100000756958_100011217306 [0,2,0,0,0,0|1,1,0]=4 5461 B14R1.954 CSc1ccc(cc1)CC(=O)CCO 1458a_100000756958_100000211926 [0,2,0,0,0,0|1,1,0]=4 5462 B14R1.954 CSc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000181263 [0,2,0,0,0,0|1,1,0]=4 5463 B14R1.954 CSc1ccc(cc1)NC(=O)C=CCl 11a_100000212337_200016279998 [0,2,0,0,0,0|0,1,1]=4 5464 B14R1.954 CSc1ccc(cc1)NC(=O)CC#N 22a_100000212337_100051588842 [0,2,0,0,0,0|0,1,0]=3 5465 B14R1.954 CSc1ccc(cc1)NC(=O)CC#N 62a_200000210301_100000187967 [0,2,0,0,0,0|0,1,0]=3 5466 B14R1.954 CSc1ccc(cc1)NC(=O)CCN 62a_200000210301_100000743120 [0,2,0,0,0,0|0,1,0]=3 5467 B14R1.954 CSc1ccc(cc1)NC(=O)CCO 22a_100000212337_100011216618 [0,2,0,0,0,0|0,1,0]=3 5468 B14R1.954 CSc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000239573 [0,2,0,0,0,0|0,1,0]=3 5469 B14R1.954 N#CCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100051588842 [0,2,0,0,0,0|2,0,0]=4 5470 B14R1.954 N#CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100051588842 [0,2,0,0,0,0|2,0,0]=4 5471 B14R1.954 O=C(CCO)Nc1ccc(cc1)CO 22a_100011215238_100011216618 [0,2,0,0,0,0|2,0,0]=4 5472 B14R1.954 [13CH3]Oc1ccc(cc1)NC(=O)CCCl 34a_100011302330_200025704644 [0,2,0,0,0,0|0,0,0]=2 5473 B14R1.954 [13CH3]Oc1ccc(cc1)NC(=O)CCCl 7a_100011302330_200025704644 [0,2,0,0,0,0|0,0,0]=2 5474 B14R1.954 [13CH3]Sc1ccc(cc1)NC(=O)CC#N 62a_200025704644_100000187967 [0,2,0,0,0,0|0,1,0]=3 5475 B14R1.954 [13CH3]Sc1ccc(cc1)NC(=O)CCN 62a_200025704644_100000743120 [0,2,0,0,0,0|0,1,0]=3 5476 B14R1.2879 C=C(C)c1ccc(cc1)CC(=O)NC 271570a_100000694244_100000155101 [0,2,0,0,0,0|2,0,0]=4 5477 B14R1.2879 C=C(C)c1ccc(cc1)CC(=O)OC 271570a_100000694244_100000149743 [0,2,0,0,0,0|2,0,0]=4 5478 B14R1.2879 C=C(C)c1ccc(cc1)NC(=O)OC 271570a_100000694244_100000181880 [0,2,0,0,0,0|1,0,0]=3 5479 B14R1.2879 C=C(C)c1ccc(cc1)OC(=O)CC 271570a_100000694244_200009811598 [0,2,0,0,0,0|2,0,0]=4 5480 B14R1.2879 C=C(C)c1ccc(nc1)NC(=O)OC 271570a_100000694244_100000188976 [0,2,0,0,0,0|2,0,0]=4 5481 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100000185746 [0,2,0,0,0,0|1,0,1]=4 5482 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000185746 [0,2,0,0,0,0|1,0,1]=4 5483 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000185746 [0,2,0,0,0,0|1,0,1]=4 5484 B14R1.2879 C=CC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100000185746 [0,2,0,0,0,0|1,0,1]=4 5485 B14R1.2879 C=CC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000185746 [0,2,0,0,0,0|1,0,1]=4 5486 B14R1.2879 CC(=O)c1ccc(cc1)CC(=O)CO 1458a_100000210174_100000756337 [0,2,0,0,0,0|2,0,0]=4 5487 B14R1.2879 CC(C)c1ccc(cc1)CC(=O)CF 1458a_100000689720_100015361967 [0,2,0,0,0,0|2,0,0]=4 5488 B14R1.2879 CC(C)c1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181262 [0,2,0,0,0,0|2,0,0]=4 5489 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)CO 22a_100000210773_100000210174 [0,2,0,0,0,0|1,0,0]=3 5490 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)CO 527a_100000210773_100000210174 [0,2,0,0,0,0|1,0,0]=3 5491 B14R1.2879 CC(O)c1ccc(cc1)NC(=O)CO 22a_100011216399_100000210174 [0,2,0,0,0,0|1,0,0]=3 5492 B14R1.2879 CC(O)c1ccc(cc1)NC(=O)CO 527a_100011216399_100000210174 [0,2,0,0,0,0|1,0,0]=3 5493 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000210414_100000756337 [0,2,0,0,0,0|2,0,0]=4 5494 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(C)C 1458a_100000210414_100000181262 [0,2,0,0,0,0|2,0,0]=4 5495 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_100000210202 [0,2,0,0,0,0|2,0,0]=4 5496 B14R1.2879 CCC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_100000210202 [0,2,0,0,0,0|2,0,0]=4 5497 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)C 1458a_100000194459_200000210301 [0,2,0,0,0,0|1,0,0]=3 5498 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)N 11a_100000210537_100000210414 [0,2,0,0,0,0|2,0,0]=4 5499 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)N 1626a_100000210537_100000210414 [0,2,0,0,0,0|2,0,0]=4 5500 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)N 22a_100000210537_100000210414 [0,2,0,0,0,0|2,0,0]=4 5501 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)N 527a_100000210537_100000210414 [0,2,0,0,0,0|2,0,0]=4 5502 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000194459_200025704644 [0,2,0,0,0,0|1,0,0]=3 5503 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=S)N 1626a_100000739662_100000210414 [0,2,0,0,0,0|2,0,0]=4 5504 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100000210414 [0,2,0,0,0,0|1,0,0]=3 5505 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100000210414 [0,2,0,0,0,0|1,0,0]=3 5506 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000210414 [0,2,0,0,0,0|1,0,0]=3 5507 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100000210414 [0,2,0,0,0,0|1,0,0]=3 5508 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000210414 [0,2,0,0,0,0|1,0,0]=3 5509 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100000210414 [0,2,0,0,0,0|1,0,0]=3 5510 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 11a_100020620101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5511 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 1626a_100020620101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5512 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 22a_100020620101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5513 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 527a_100020620101_100000210414 [0,2,0,0,0,0|2,0,0]=4 5514 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 11a_100016997997_100000210414 [0,2,0,0,0,0|1,0,0]=3 5515 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100000210414 [0,2,0,0,0,0|1,0,0]=3 5516 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000210414 [0,2,0,0,0,0|1,0,0]=3 5517 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 527a_100016997997_100000210414 [0,2,0,0,0,0|1,0,0]=3 5518 B14R1.2879 CCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100000210414 [0,2,0,0,0,0|2,0,0]=4 5519 B14R1.2879 CCC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100000210414 [0,2,0,0,0,0|2,0,0]=4 5520 B14R1.2879 CN(C)c1ccc(cc1)CC(=O)CF 1458a_100011218386_100015361967 [0,2,0,0,0,0|2,0,0]=4 5521 B14R1.2879 CN(C)c1ccc(cc1)NC(=O)CO 22a_100016997997_100000210174 [0,2,0,0,0,0|1,0,0]=3 5522 B14R1.2879 CN(C)c1ccc(cc1)NC(=O)CO 527a_100016997997_100000210174 [0,2,0,0,0,0|1,0,0]=3 5523 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 11a_106832991635_100000689720 [0,2,0,0,0,0|2,0,0]=4 5524 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 1626a_100102657272_100000689720 [0,2,0,0,0,0|2,0,0]=4 5525 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 240690a_100102657272_100000689720 [0,2,0,0,0,0|2,0,0]=4 5526 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 527a_100102657272_100000689720 [0,2,0,0,0,0|2,0,0]=4 5527 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 11a_106832991635_100011218386 [0,2,0,0,0,0|2,0,0]=4 5528 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 1626a_100102657272_100011218386 [0,2,0,0,0,0|2,0,0]=4 5529 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 240690a_100102657272_100011218386 [0,2,0,0,0,0|2,0,0]=4 5530 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 527a_100102657272_100011218386 [0,2,0,0,0,0|2,0,0]=4 5531 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(=O)N 2430a_100000210537_100102657272 [0,2,0,0,0,0|2,0,0]=4 5532 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(=S)N 2430a_100000739662_100102657272 [0,2,0,0,0,0|2,0,0]=4 5533 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)C 2430a_100000210773_100102657272 [0,2,0,0,0,0|1,0,0]=3 5534 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)O 2430a_100011216399_100102657272 [0,2,0,0,0,0|1,0,0]=3 5535 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)O 512a_106832991638_100011216399 [0,2,0,0,0,0|1,0,0]=3 5536 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(F)F 2430a_100020620101_100102657272 [0,2,0,0,0,0|2,0,0]=4 5537 B14R1.2879 CNC(=O)Nc1ccc(cc1)N(C)C 2430a_100016997997_100102657272 [0,2,0,0,0,0|1,0,0]=3 5538 B14R1.2879 CNC(=O)Nc1ccc(cc1)[N+](=O)[O-] 2430a_100015195142_100102657272 [0,2,0,0,0,0|2,0,0]=4 5539 B14R1.2879 COC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000111013_200000210301 [0,2,0,0,0,0|2,0,0]=4 5540 B14R1.2879 COC(=O)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000111013_200025704644 [0,2,0,0,0,0|2,0,0]=4 5541 B14R1.2879 NC(=O)c1ccc(cc1)NC(=O)CO 22a_100000210537_100000210174 [0,2,0,0,0,0|2,0,0]=4 5542 B14R1.2879 NC(=O)c1ccc(cc1)NC(=O)CO 527a_100000210537_100000210174 [0,2,0,0,0,0|2,0,0]=4 5543 B14R1.2879 O=C(CO)Nc1ccc(cc1)C(F)F 22a_100020620101_100000210174 [0,2,0,0,0,0|2,0,0]=4 5544 B14R1.2879 O=C(CO)Nc1ccc(cc1)C(F)F 527a_100020620101_100000210174 [0,2,0,0,0,0|2,0,0]=4 5545 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000211873_200011397701 [0,2,0,0,0,0|1,0,1]=4 5546 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)C)OC 1458a_100000211873_200011290836 [0,2,0,0,0,0|1,0,1]=4 5547 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000211873_100000693707 [0,2,0,0,0,0|1,0,1]=4 5548 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)F)OC 1458a_100000211873_100000189595 [0,2,0,0,0,0|1,0,1]=4 5549 B14R1.3276 C#CC(C)Nc1ccc(c(c1)Br)OC 34a_100000187427_200000035995 [0,2,0,0,0,0|1,0,1]=4 5550 B14R1.3276 C#CC(C)Nc1ccc(c(c1)C)OC 34a_100000743268_200000035995 [0,2,0,0,0,0|1,0,1]=4 5551 B14R1.3276 C#CC(C)Nc1ccc(c(c1)Cl)OC 34a_100000211044_200000035995 [0,2,0,0,0,0|1,0,1]=4 5552 B14R1.3276 C#CC(C)Nc1ccc(c(c1)F)OC 34a_100000740183_200000035995 [0,2,0,0,0,0|1,0,1]=4 5553 B14R1.3276 C#CC(C)Nc1ccc(c(c1)I)OC 34a_100011356947_200000035995 [0,2,0,0,0,0|1,0,1]=4 5554 B14R1.3276 C#CC(C)Nc1ccc(c(c1)O)OC 34a_100000211920_200000035995 [0,2,0,0,0,0|1,0,1]=4 5555 B14R1.3276 C#Cc1ccc(cc1Cl)NC(=O)CC 11a_100012001888_100000210414 [0,2,0,0,0,0|1,0,1]=4 5556 B14R1.3276 C#Cc1ccc(cc1Cl)NC(=O)CC 1626a_100012001888_100000210414 [0,2,0,0,0,0|1,0,1]=4 5557 B14R1.3276 C#Cc1ccc(cc1Cl)NC(=O)CC 22a_100012001888_100000210414 [0,2,0,0,0,0|1,0,1]=4 5558 B14R1.3276 C#Cc1ccc(cc1Cl)NC(=O)CO 22a_100012001888_100000210174 [0,2,0,0,0,0|1,0,1]=4 5559 B14R1.3276 C#Cc1ccc(cc1Cl)NC(=O)NC 2430a_100012001888_100102657272 [0,2,0,0,0,0|1,0,1]=4 5560 B14R1.3276 C#Cc1ccc(cc1Cl)NC(=O)NC 512a_100012001888_100102657272 [0,2,0,0,0,0|1,0,1]=4 5561 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)CC 11a_100012001886_100000210414 [0,2,0,0,0,0|1,0,1]=4 5562 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)CC 1626a_100012001886_100000210414 [0,2,0,0,0,0|1,0,1]=4 5563 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)CC 22a_100012001886_100000210414 [0,2,0,0,0,0|1,0,1]=4 5564 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)CC 527a_100012001886_100000210414 [0,2,0,0,0,0|1,0,1]=4 5565 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)CO 22a_100012001886_100000210174 [0,2,0,0,0,0|1,0,1]=4 5566 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)CO 527a_100012001886_100000210174 [0,2,0,0,0,0|1,0,1]=4 5567 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)NC 2430a_100012001886_100102657272 [0,2,0,0,0,0|1,0,1]=4 5568 B14R1.3276 C#Cc1ccc(cc1F)NC(=O)NC 512a_100012001886_100102657272 [0,2,0,0,0,0|1,0,1]=4 5569 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000185746_200011397701 [0,2,0,0,0,0|1,0,1]=4 5570 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)C)OC 1458a_100000185746_200011290836 [0,2,0,0,0,0|1,0,1]=4 5571 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000185746_100000693707 [0,2,0,0,0,0|1,0,1]=4 5572 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)F)OC 1458a_100000185746_100000189595 [0,2,0,0,0,0|1,0,1]=4 5573 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Br)OC 1626a_100000187427_100000185746 [0,2,0,0,0,0|0,0,1]=3 5574 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Br)OC 22a_100000187427_100000185746 [0,2,0,0,0,0|0,0,1]=3 5575 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)C)OC 1626a_100000743268_100000185746 [0,2,0,0,0,0|0,0,1]=3 5576 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)C)OC 22a_100000743268_100000185746 [0,2,0,0,0,0|0,0,1]=3 5577 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)CC 1626a_100000766362_100000185746 [0,2,0,0,0,0|1,0,1]=4 5578 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)CC 22a_100000766362_100000185746 [0,2,0,0,0,0|1,0,1]=4 5579 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)OC 1626a_100000211044_100000185746 [0,2,0,0,0,0|0,0,1]=3 5580 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)OC 22a_100000211044_100000185746 [0,2,0,0,0,0|0,0,1]=3 5581 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)OC 1626a_100000740183_100000185746 [0,2,0,0,0,0|0,0,1]=3 5582 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)OC 22a_100000740183_100000185746 [0,2,0,0,0,0|0,0,1]=3 5583 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)SC 1626a_100000762756_100000185746 [0,2,0,0,0,0|0,1,1]=4 5584 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)SC 22a_100000762756_100000185746 [0,2,0,0,0,0|0,1,1]=4 5585 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)I)OC 1626a_100011356947_100000185746 [0,2,0,0,0,0|0,0,1]=3 5586 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)I)OC 22a_100011356947_100000185746 [0,2,0,0,0,0|0,0,1]=3 5587 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000185746 [0,2,0,0,0,0|0,0,1]=3 5588 B14R1.3276 C=Cc1ccc(cc1N)NC(=O)OC 271570a_100011290941_100012639261 [0,2,0,0,0,0|1,0,1]=4 5589 B14R1.3276 CCC(=O)Cc1cc(=O)c(co1)OC 1458a_100000210414_100000081511 [0,2,0,0,0,0|2,0,0]=4 5590 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000210414_200011397701 [0,2,0,0,0,0|1,0,0]=3 5591 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Br)OC 1458a_100011202338_100000210202 [0,2,0,0,0,0|1,0,0]=3 5592 B14R1.3276 CCC(=O)Cc1ccc(c(c1)C)OC 1458a_100000210414_200011290836 [0,2,0,0,0,0|1,0,0]=3 5593 B14R1.3276 CCC(=O)Cc1ccc(c(c1)C)OC 1458a_100011356478_100000210202 [0,2,0,0,0,0|1,0,0]=3 5594 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000210414_100000693707 [0,2,0,0,0,0|1,0,0]=3 5595 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100012026953_100000210202 [0,2,0,0,0,0|1,0,0]=3 5596 B14R1.3276 CCC(=O)Cc1ccc(c(c1)F)OC 1458a_100000204603_100000210202 [0,2,0,0,0,0|1,0,0]=3 5597 B14R1.3276 CCC(=O)Cc1ccc(c(c1)F)OC 1458a_100000210414_100000189595 [0,2,0,0,0,0|1,0,0]=3 5598 B14R1.3276 CCC(=O)Cc1ccc(c(c1)O)OC 1458a_100000049095_100000210202 [0,2,0,0,0,0|1,0,0]=3 5599 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)C#N 11a_100000689153_100000210414 [0,2,0,0,0,0|2,0,0]=4 5600 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)C#N 1626a_100000689153_100000210414 [0,2,0,0,0,0|2,0,0]=4 5601 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 11a_100000187427_100000210414 [0,2,0,0,0,0|0,0,0]=2 5602 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 1626a_100000187427_100000210414 [0,2,0,0,0,0|0,0,0]=2 5603 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 22a_100000187427_100000210414 [0,2,0,0,0,0|0,0,0]=2 5604 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Br)OC 527a_100000187427_100000210414 [0,2,0,0,0,0|0,0,0]=2 5605 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)C#N 11a_100011999795_100000210414 [0,2,0,0,0,0|2,0,0]=4 5606 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)C#N 1626a_100011999795_100000210414 [0,2,0,0,0,0|2,0,0]=4 5607 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000210414 [0,2,0,0,0,0|2,0,0]=4 5608 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)NC 34a_100011203062_200000210301 [0,2,0,0,0,0|1,0,0]=3 5609 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)NC 7a_100011203062_200000210301 [0,2,0,0,0,0|1,0,0]=3 5610 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)N[13CH3] 34a_100011203062_200025704644 [0,2,0,0,0,0|1,0,0]=3 5611 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)N[13CH3] 7a_100011203062_200025704644 [0,2,0,0,0,0|1,0,0]=3 5612 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 11a_100000743268_100000210414 [0,2,0,0,0,0|0,0,0]=2 5613 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 1626a_100000743268_100000210414 [0,2,0,0,0,0|0,0,0]=2 5614 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 22a_100000743268_100000210414 [0,2,0,0,0,0|0,0,0]=2 5615 B14R1.3276 CCC(=O)Nc1ccc(c(c1)C)OC 527a_100000743268_100000210414 [0,2,0,0,0,0|0,0,0]=2 5616 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)C#N 11a_100000211542_100000210414 [0,2,0,0,0,0|2,0,0]=4 5617 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)C#N 1626a_100000211542_100000210414 [0,2,0,0,0,0|2,0,0]=4 5618 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 11a_100000766362_100000210414 [0,2,0,0,0,0|1,0,0]=3 5619 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 1626a_100000766362_100000210414 [0,2,0,0,0,0|1,0,0]=3 5620 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 22a_100000766362_100000210414 [0,2,0,0,0,0|1,0,0]=3 5621 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC 527a_100000766362_100000210414 [0,2,0,0,0,0|1,0,0]=3 5622 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000210414 [0,2,0,0,0,0|2,0,0]=4 5623 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 11a_100000211044_100000210414 [0,2,0,0,0,0|0,0,0]=2 5624 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 1626a_100000211044_100000210414 [0,2,0,0,0,0|0,0,0]=2 5625 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 22a_100000211044_100000210414 [0,2,0,0,0,0|0,0,0]=2 5626 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)OC 527a_100000211044_100000210414 [0,2,0,0,0,0|0,0,0]=2 5627 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)C#N 11a_100000765089_100000210414 [0,2,0,0,0,0|2,0,0]=4 5628 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)C#N 1626a_100000765089_100000210414 [0,2,0,0,0,0|2,0,0]=4 5629 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 11a_100000740183_100000210414 [0,2,0,0,0,0|0,0,0]=2 5630 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 1626a_100000740183_100000210414 [0,2,0,0,0,0|0,0,0]=2 5631 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 22a_100000740183_100000210414 [0,2,0,0,0,0|0,0,0]=2 5632 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)OC 527a_100000740183_100000210414 [0,2,0,0,0,0|0,0,0]=2 5633 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 11a_100000762756_100000210414 [0,2,0,0,0,0|0,1,0]=3 5634 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 1626a_100000762756_100000210414 [0,2,0,0,0,0|0,1,0]=3 5635 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 22a_100000762756_100000210414 [0,2,0,0,0,0|0,1,0]=3 5636 B14R1.3276 CCC(=O)Nc1ccc(c(c1)F)SC 527a_100000762756_100000210414 [0,2,0,0,0,0|0,1,0]=3 5637 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 11a_100011356947_100000210414 [0,2,0,0,0,0|0,0,0]=2 5638 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 1626a_100011356947_100000210414 [0,2,0,0,0,0|0,0,0]=2 5639 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 22a_100011356947_100000210414 [0,2,0,0,0,0|0,0,0]=2 5640 B14R1.3276 CCC(=O)Nc1ccc(c(c1)I)OC 527a_100011356947_100000210414 [0,2,0,0,0,0|0,0,0]=2 5641 B14R1.3276 CCC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000210414 [0,2,0,0,0,0|0,0,0]=2 5642 B14R1.3276 CCC(=O)Nc1ccc(c(c1)O)OC 527a_100000211920_100000210414 [0,2,0,0,0,0|0,0,0]=2 5643 B14R1.3276 CCC(=O)Nc1ccc(c(n1)C)SC 62a_100000187203_200000210301 [0,2,0,0,0,0|1,1,0]=4 5644 B14R1.3276 CCC(=O)Nc1ccc(c(n1)C)SC 62a_200000210301_100000187203 [0,2,0,0,0,0|1,1,0]=4 5645 B14R1.3276 CCC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_100000187203_200025704644 [0,2,0,0,0,0|1,1,0]=4 5646 B14R1.3276 CCC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000187203 [0,2,0,0,0,0|1,1,0]=4 5647 B14R1.3276 CCC(C)Nc1ccc(c(c1)Br)OC 34a_100000187427_100011215416 [0,2,0,0,0,0|1,0,1]=4 5648 B14R1.3276 CCC(C)Nc1ccc(c(c1)C)OC 2230a_100000743268_100000758301 [0,2,0,0,0,0|1,0,1]=4 5649 B14R1.3276 CCC(C)Nc1ccc(c(c1)C)OC 34a_100000743268_100011215416 [0,2,0,0,0,0|1,0,1]=4 5650 B14R1.3276 CCC(C)Nc1ccc(c(c1)C)OC 7a_100000743268_100000758301 [0,2,0,0,0,0|1,0,1]=4 5651 B14R1.3276 CCC(C)Nc1ccc(c(c1)Cl)OC 2230a_100000211044_100000758301 [0,2,0,0,0,0|1,0,1]=4 5652 B14R1.3276 CCC(C)Nc1ccc(c(c1)Cl)OC 34a_100000211044_100011215416 [0,2,0,0,0,0|1,0,1]=4 5653 B14R1.3276 CCC(C)Nc1ccc(c(c1)F)OC 2230a_100000740183_100000758301 [0,2,0,0,0,0|1,0,1]=4 5654 B14R1.3276 CCC(C)Nc1ccc(c(c1)F)OC 34a_100000740183_100011215416 [0,2,0,0,0,0|1,0,1]=4 5655 B14R1.3276 CCC(C)Nc1ccc(c(c1)I)OC 34a_100011356947_100011215416 [0,2,0,0,0,0|1,0,1]=4 5656 B14R1.3276 CCC(C)Nc1ccc(c(c1)O)OC 34a_100000211920_100011215416 [0,2,0,0,0,0|1,0,1]=4 5657 B14R1.3276 CCc1ccc(cc1Cl)NC(=O)CO 22a_100000766362_100000210174 [0,2,0,0,0,0|1,0,0]=3 5658 B14R1.3276 CCc1ccc(cc1Cl)NC(=O)CO 527a_100000766362_100000210174 [0,2,0,0,0,0|1,0,0]=3 5659 B14R1.3276 CCc1ccc(cc1Cl)NC(=O)NC 2430a_100000766362_100102657272 [0,2,0,0,0,0|1,0,0]=3 5660 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 11a_106832991635_100011202338 [0,2,0,0,0,0|1,0,0]=3 5661 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 1626a_100102657272_100011202338 [0,2,0,0,0,0|1,0,0]=3 5662 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 240690a_100102657272_100011202338 [0,2,0,0,0,0|1,0,0]=3 5663 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 527a_100102657272_100011202338 [0,2,0,0,0,0|1,0,0]=3 5664 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 11a_106832991635_100011356478 [0,2,0,0,0,0|1,0,0]=3 5665 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 1626a_100102657272_100011356478 [0,2,0,0,0,0|1,0,0]=3 5666 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 240690a_100102657272_100011356478 [0,2,0,0,0,0|1,0,0]=3 5667 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 527a_100102657272_100011356478 [0,2,0,0,0,0|1,0,0]=3 5668 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 11a_106832991635_100012026953 [0,2,0,0,0,0|1,0,0]=3 5669 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 1626a_100102657272_100012026953 [0,2,0,0,0,0|1,0,0]=3 5670 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 240690a_100102657272_100012026953 [0,2,0,0,0,0|1,0,0]=3 5671 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 527a_100102657272_100012026953 [0,2,0,0,0,0|1,0,0]=3 5672 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 11a_106832991635_100000204603 [0,2,0,0,0,0|1,0,0]=3 5673 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 1626a_100102657272_100000204603 [0,2,0,0,0,0|1,0,0]=3 5674 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 240690a_100102657272_100000204603 [0,2,0,0,0,0|1,0,0]=3 5675 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 527a_100102657272_100000204603 [0,2,0,0,0,0|1,0,0]=3 5676 B14R1.3276 CNC(=O)Cc1ccc(c(c1)O)OC 240690a_100102657272_100000049095 [0,2,0,0,0,0|1,0,0]=3 5677 B14R1.3276 CNC(=O)Cc1ccc(c(c1)O)OC 527a_100102657272_100000049095 [0,2,0,0,0,0|1,0,0]=3 5678 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Br)C#N 2430a_100000689153_100102657272 [0,2,0,0,0,0|2,0,0]=4 5679 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Br)C#N 512a_100000689153_100102657272 [0,2,0,0,0,0|2,0,0]=4 5680 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Br)OC 2430a_100000187427_100102657272 [0,2,0,0,0,0|0,0,0]=2 5681 B14R1.3276 CNC(=O)Nc1ccc(c(c1)C)C#N 2430a_100011999795_100102657272 [0,2,0,0,0,0|2,0,0]=4 5682 B14R1.3276 CNC(=O)Nc1ccc(c(c1)C)C#N 512a_100011999795_100102657272 [0,2,0,0,0,0|2,0,0]=4 5683 B14R1.3276 CNC(=O)Nc1ccc(c(c1)C)CO 2430a_100000102464_100102657272 [0,2,0,0,0,0|2,0,0]=4 5684 B14R1.3276 CNC(=O)Nc1ccc(c(c1)C)OC 2430a_100000743268_100102657272 [0,2,0,0,0,0|0,0,0]=2 5685 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Cl)C#N 2430a_100000211542_100102657272 [0,2,0,0,0,0|2,0,0]=4 5686 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Cl)CO 2430a_100000689119_100102657272 [0,2,0,0,0,0|2,0,0]=4 5687 B14R1.3276 CNC(=O)Nc1ccc(c(c1)Cl)OC 2430a_100000211044_100102657272 [0,2,0,0,0,0|0,0,0]=2 5688 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)C#N 2430a_100000765089_100102657272 [0,2,0,0,0,0|2,0,0]=4 5689 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)C#N 512a_100000765089_100102657272 [0,2,0,0,0,0|2,0,0]=4 5690 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)OC 2430a_100000740183_100102657272 [0,2,0,0,0,0|0,0,0]=2 5691 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)SC 2430a_100000762756_100102657272 [0,2,0,0,0,0|0,1,0]=3 5692 B14R1.3276 CNC(=O)Nc1ccc(c(c1)F)SC 512a_100000762756_100102657272 [0,2,0,0,0,0|0,1,0]=3 5693 B14R1.3276 CNC(=O)Nc1ccc(c(c1)I)OC 2430a_100011356947_100102657272 [0,2,0,0,0,0|0,0,0]=2 5694 B14R1.3276 CNC(=O)Nc1ccc(c(c1)O)C#N 2430a_100000094571_100102657272 [0,2,0,0,0,0|2,0,0]=4 5695 B14R1.3276 CNC(=O)Nc1ccc(c(c1)O)OC 2430a_100000211920_100102657272 [0,2,0,0,0,0|0,0,0]=2 5696 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)OC 34a_100010222482_200000210301 [0,2,0,0,0,0|1,0,0]=3 5697 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)OC 7a_100010222482_200000210301 [0,2,0,0,0,0|1,0,0]=3 5698 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010222482_200025704644 [0,2,0,0,0,0|1,0,0]=3 5699 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010222482_200025704644 [0,2,0,0,0,0|1,0,0]=3 5700 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)OC 34a_100000087474_200000210301 [0,2,0,0,0,0|1,0,0]=3 5701 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)OC 7a_100000087474_200000210301 [0,2,0,0,0,0|1,0,0]=3 5702 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_100000087474_200025704644 [0,2,0,0,0,0|1,0,0]=3 5703 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_100000087474_200025704644 [0,2,0,0,0,0|1,0,0]=3 5704 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)OC 34a_100009994800_200000210301 [0,2,0,0,0,0|1,0,0]=3 5705 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)OC 7a_100009994800_200000210301 [0,2,0,0,0,0|1,0,0]=3 5706 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_100009994800_200025704644 [0,2,0,0,0,0|1,0,0]=3 5707 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_100009994800_200025704644 [0,2,0,0,0,0|1,0,0]=3 5708 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)OC 34a_100000699185_200000210301 [0,2,0,0,0,0|1,0,0]=3 5709 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)OC 7a_100000699185_200000210301 [0,2,0,0,0,0|1,0,0]=3 5710 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)O[13CH3] 34a_100000699185_200025704644 [0,2,0,0,0,0|1,0,0]=3 5711 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)O[13CH3] 7a_100000699185_200025704644 [0,2,0,0,0,0|1,0,0]=3 5712 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)SC 62a_100010371902_200000210301 [0,2,0,0,0,0|1,1,0]=4 5713 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)SC 62a_200000210301_100010371902 [0,2,0,0,0,0|1,1,0]=4 5714 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)S[13CH3] 62a_100010371902_200025704644 [0,2,0,0,0,0|1,1,0]=4 5715 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010371902 [0,2,0,0,0,0|1,1,0]=4 5716 B14R1.3276 COC(=O)Cc1ccc(c(c1)N)OC 34a_100000067991_200000210301 [0,2,0,0,0,0|1,0,0]=3 5717 B14R1.3276 COC(=O)Cc1ccc(c(c1)N)O[13CH3] 34a_100000067991_200025704644 [0,2,0,0,0,0|1,0,0]=3 5718 B14R1.3276 COC(=O)Cc1ccc(c(c1)O)OC 271570a_203496583355_200012357789 [0,2,0,0,0,0|1,0,0]=3 5719 B14R1.3276 COC(=O)Nc1ccc(c(c1)N)SC 62a_200000210301_100012639261 [0,2,0,0,0,0|0,1,0]=3 5720 B14R1.3276 COC(=O)Nc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100012639261 [0,2,0,0,0,0|0,1,0]=3 5721 B14R1.3276 COc1ccc(cc1Br)C=C(C)C#N 6a_100000173361_200000212204 [0,2,0,0,0,0|2,0,0]=4 5722 B14R1.3276 COc1ccc(cc1Br)CC(=O)CF 1458a_100011202338_100015361967 [0,2,0,0,0,0|1,0,0]=3 5723 B14R1.3276 COc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_200011397701 [0,2,0,0,0,0|1,0,0]=3 5724 B14R1.3276 COc1ccc(cc1Br)NC(=O)CO 22a_100000187427_100000210174 [0,2,0,0,0,0|0,0,0]=2 5725 B14R1.3276 COc1ccc(cc1Br)NC(=O)CO 527a_100000187427_100000210174 [0,2,0,0,0,0|0,0,0]=2 5726 B14R1.3276 COc1ccc(cc1Br)NC(C)CO 34a_100000187427_100012180447 [0,2,0,0,0,0|0,0,2]=4 5727 B14R1.3276 COc1ccc(cc1C)C=C(C)C#N 6a_100000239718_200000212204 [0,2,0,0,0,0|2,0,0]=4 5728 B14R1.3276 COc1ccc(cc1C)CC(=O)CF 1458a_100011356478_100015361967 [0,2,0,0,0,0|1,0,0]=3 5729 B14R1.3276 COc1ccc(cc1C)CC(=O)CO 1458a_100000210174_200011290836 [0,2,0,0,0,0|1,0,0]=3 5730 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 22a_100000743268_100000210174 [0,2,0,0,0,0|0,0,0]=2 5731 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 527a_100000743268_100000210174 [0,2,0,0,0,0|0,0,0]=2 5732 B14R1.3276 COc1ccc(cc1C)NC(C)C#N 2230a_100000743268_100000184139 [0,2,0,0,0,0|1,0,1]=4 5733 B14R1.3276 COc1ccc(cc1C)NC(C)C#N 7a_100000743268_100000703298 [0,2,0,0,0,0|1,0,1]=4 5734 B14R1.3276 COc1ccc(cc1C)NC(C)CO 2230a_100000743268_100012180447 [0,2,0,0,0,0|0,0,2]=4 5735 B14R1.3276 COc1ccc(cc1C)NC(C)CO 34a_100000743268_100012180447 [0,2,0,0,0,0|0,0,2]=4 5736 B14R1.3276 COc1ccc(cc1C)NC(C)CO 7a_100000743268_100012180447 [0,2,0,0,0,0|0,0,2]=4 5737 B14R1.3276 COc1ccc(cc1Cl)C=C(C)C#N 6a_100000186747_200000212204 [0,2,0,0,0,0|2,0,0]=4 5738 B14R1.3276 COc1ccc(cc1Cl)CC(=O)CF 1458a_100012026953_100015361967 [0,2,0,0,0,0|1,0,0]=3 5739 B14R1.3276 COc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100000693707 [0,2,0,0,0,0|1,0,0]=3 5740 B14R1.3276 COc1ccc(cc1Cl)NC(=O)CO 22a_100000211044_100000210174 [0,2,0,0,0,0|0,0,0]=2 5741 B14R1.3276 COc1ccc(cc1Cl)NC(=O)CO 527a_100000211044_100000210174 [0,2,0,0,0,0|0,0,0]=2 5742 B14R1.3276 COc1ccc(cc1Cl)NC(C)C#N 2230a_100000211044_100000184139 [0,2,0,0,0,0|1,0,1]=4 5743 B14R1.3276 COc1ccc(cc1Cl)NC(C)CO 2230a_100000211044_100012180447 [0,2,0,0,0,0|0,0,2]=4 5744 B14R1.3276 COc1ccc(cc1Cl)NC(C)CO 34a_100000211044_100012180447 [0,2,0,0,0,0|0,0,2]=4 5745 B14R1.3276 COc1ccc(cc1F)C=C(C)C#N 6a_100000204617_200000212204 [0,2,0,0,0,0|2,0,0]=4 5746 B14R1.3276 COc1ccc(cc1F)CC(=O)CF 1458a_100000204603_100015361967 [0,2,0,0,0,0|1,0,0]=3 5747 B14R1.3276 COc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100000189595 [0,2,0,0,0,0|1,0,0]=3 5748 B14R1.3276 COc1ccc(cc1F)NC(=O)CO 22a_100000740183_100000210174 [0,2,0,0,0,0|0,0,0]=2 5749 B14R1.3276 COc1ccc(cc1F)NC(=O)CO 527a_100000740183_100000210174 [0,2,0,0,0,0|0,0,0]=2 5750 B14R1.3276 COc1ccc(cc1F)NC(C)C#N 2230a_100000740183_100000184139 [0,2,0,0,0,0|1,0,1]=4 5751 B14R1.3276 COc1ccc(cc1F)NC(C)CO 2230a_100000740183_100012180447 [0,2,0,0,0,0|0,0,2]=4 5752 B14R1.3276 COc1ccc(cc1F)NC(C)CO 34a_100000740183_100012180447 [0,2,0,0,0,0|0,0,2]=4 5753 B14R1.3276 COc1ccc(cc1I)C=C(C)C#N 6a_100009827998_200000212204 [0,2,0,0,0,0|2,0,0]=4 5754 B14R1.3276 COc1ccc(cc1I)NC(=O)CO 22a_100011356947_100000210174 [0,2,0,0,0,0|0,0,0]=2 5755 B14R1.3276 COc1ccc(cc1I)NC(=O)CO 527a_100011356947_100000210174 [0,2,0,0,0,0|0,0,0]=2 5756 B14R1.3276 COc1ccc(cc1I)NC(C)CO 34a_100011356947_100012180447 [0,2,0,0,0,0|0,0,2]=4 5757 B14R1.3276 COc1ccc(cc1O)CC(=O)CF 1458a_100000049095_100015361967 [0,2,0,0,0,0|1,0,0]=3 5758 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 22a_100000211920_100000210174 [0,2,0,0,0,0|0,0,0]=2 5759 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 527a_100000211920_100000210174 [0,2,0,0,0,0|0,0,0]=2 5760 B14R1.3276 COc1ccc(cc1O)NC(C)CO 34a_100000211920_100012180447 [0,2,0,0,0,0|0,0,2]=4 5761 B14R1.3276 COc1coc(cc1=O)CC(=O)CO 1458a_100000210174_100000081511 [0,2,0,0,0,0|2,0,0]=4 5762 B14R1.3276 CSc1ccc(cc1F)NC(=O)CO 22a_100000762756_100000210174 [0,2,0,0,0,0|0,1,0]=3 5763 B14R1.3276 CSc1ccc(cc1F)NC(=O)CO 527a_100000762756_100000210174 [0,2,0,0,0,0|0,1,0]=3 5764 B14R1.3276 Cc1cc(ccc1CO)NC(=O)CO 22a_100000102464_100000210174 [0,2,0,0,0,0|2,0,0]=4 5765 B14R1.3276 O=C(CO)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000210174 [0,2,0,0,0,0|2,0,0]=4 5766 B14R1.3714 C#CC(=O)Cc1ccc(cc1Br)OC 1458a_100000211873_100011982828 [0,2,0,0,0,0|1,0,1]=4 5767 B14R1.3714 C#CC(=O)Cc1ccc(cc1Cl)OC 1458a_100000211873_200011830453 [0,2,0,0,0,0|1,0,1]=4 5768 B14R1.3714 C#CC(=O)Cc1ccc(cc1F)OC 1458a_100000211873_100011260761 [0,2,0,0,0,0|1,0,1]=4 5769 B14R1.3714 C#CC(C)Nc1ccc(cc1Br)OC 34a_100015195136_200000035995 [0,2,0,0,0,0|1,0,1]=4 5770 B14R1.3714 C#CC(C)Nc1ccc(cc1C)OC 34a_100000750285_200000035995 [0,2,0,0,0,0|1,0,1]=4 5771 B14R1.3714 C#CC(C)Nc1ccc(cc1Cl)OC 34a_100000747055_200000035995 [0,2,0,0,0,0|1,0,1]=4 5772 B14R1.3714 C#CC(C)Nc1ccc(cc1F)OC 34a_100011299463_200000035995 [0,2,0,0,0,0|1,0,1]=4 5773 B14R1.3714 C#CC(C)Nc1ccc(cc1I)OC 34a_100000049804_200000035995 [0,2,0,0,0,0|1,0,1]=4 5774 B14R1.3714 C#CC(C)Nc1ccc(cc1O)OC 34a_100016989039_200000035995 [0,2,0,0,0,0|1,0,1]=4 5775 B14R1.3714 C=CC(=O)Cc1ccc(cc1Br)OC 1458a_100000185746_100011982828 [0,2,0,0,0,0|1,0,1]=4 5776 B14R1.3714 C=CC(=O)Cc1ccc(cc1Cl)OC 1458a_100000185746_200011830453 [0,2,0,0,0,0|1,0,1]=4 5777 B14R1.3714 C=CC(=O)Cc1ccc(cc1F)OC 1458a_100000185746_100011260761 [0,2,0,0,0,0|1,0,1]=4 5778 B14R1.3714 C=CC(=O)Nc1ccc(cc1Br)CC 1626a_100012339725_100000185746 [0,2,0,0,0,0|1,0,1]=4 5779 B14R1.3714 C=CC(=O)Nc1ccc(cc1Br)OC 1626a_100015195136_100000185746 [0,2,0,0,0,0|0,0,1]=3 5780 B14R1.3714 C=CC(=O)Nc1ccc(cc1Br)OC 22a_100015195136_100000185746 [0,2,0,0,0,0|0,0,1]=3 5781 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)CC 1626a_100011226020_100000185746 [0,2,0,0,0,0|1,0,1]=4 5782 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)CC 22a_100011226020_100000185746 [0,2,0,0,0,0|1,0,1]=4 5783 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)OC 1626a_100000750285_100000185746 [0,2,0,0,0,0|0,0,1]=3 5784 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)OC 22a_100000750285_100000185746 [0,2,0,0,0,0|0,0,1]=3 5785 B14R1.3714 C=CC(=O)Nc1ccc(cc1Cl)OC 1626a_100000747055_100000185746 [0,2,0,0,0,0|0,0,1]=3 5786 B14R1.3714 C=CC(=O)Nc1ccc(cc1Cl)OC 22a_100000747055_100000185746 [0,2,0,0,0,0|0,0,1]=3 5787 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)CC 1626a_100016177294_100000185746 [0,2,0,0,0,0|1,0,1]=4 5788 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)CC 22a_100016177294_100000185746 [0,2,0,0,0,0|1,0,1]=4 5789 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)OC 1626a_100011299463_100000185746 [0,2,0,0,0,0|0,0,1]=3 5790 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)OC 22a_100011299463_100000185746 [0,2,0,0,0,0|0,0,1]=3 5791 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)SC 1626a_100012056844_100000185746 [0,2,0,0,0,0|0,1,1]=4 5792 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)SC 22a_100012056844_100000185746 [0,2,0,0,0,0|0,1,1]=4 5793 B14R1.3714 C=CC(=O)Nc1ccc(cc1I)OC 1626a_100000049804_100000185746 [0,2,0,0,0,0|0,0,1]=3 5794 B14R1.3714 C=CC(=O)Nc1ccc(cc1I)OC 22a_100000049804_100000185746 [0,2,0,0,0,0|0,0,1]=3 5795 B14R1.3714 C=CC(=O)Nc1ccc(cc1O)CC 22a_100000124328_100000185746 [0,2,0,0,0,0|1,0,1]=4 5796 B14R1.3714 C=CC(=O)Nc1ccc(cc1O)OC 22a_100016989039_100000185746 [0,2,0,0,0,0|0,0,1]=3 5797 B14R1.3714 CCC(=O)Cc1ccc(cc1Br)OC 1458a_100000210414_100011982828 [0,2,0,0,0,0|1,0,0]=3 5798 B14R1.3714 CCC(=O)Cc1ccc(cc1Br)OC 1458a_100000238646_100000210202 [0,2,0,0,0,0|1,0,0]=3 5799 B14R1.3714 CCC(=O)Cc1ccc(cc1C)OC 1458a_100011996676_100000210202 [0,2,0,0,0,0|1,0,0]=3 5800 B14R1.3714 CCC(=O)Cc1ccc(cc1Cl)OC 1458a_100000210414_200011830453 [0,2,0,0,0,0|1,0,0]=3 5801 B14R1.3714 CCC(=O)Cc1ccc(cc1Cl)OC 1458a_100000688043_100000210202 [0,2,0,0,0,0|1,0,0]=3 5802 B14R1.3714 CCC(=O)Cc1ccc(cc1F)OC 1458a_100000210414_100011260761 [0,2,0,0,0,0|1,0,0]=3 5803 B14R1.3714 CCC(=O)Cc1ccc(cc1F)OC 1458a_100000709196_100000210202 [0,2,0,0,0,0|1,0,0]=3 5804 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)C#N 1626a_100000736769_100000210414 [0,2,0,0,0,0|2,0,0]=4 5805 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)CC 11a_100012339725_100000210414 [0,2,0,0,0,0|1,0,0]=3 5806 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)CC 1626a_100012339725_100000210414 [0,2,0,0,0,0|1,0,0]=3 5807 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)CC 527a_100012339725_100000210414 [0,2,0,0,0,0|1,0,0]=3 5808 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 11a_100015195136_100000210414 [0,2,0,0,0,0|0,0,0]=2 5809 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 1626a_100015195136_100000210414 [0,2,0,0,0,0|0,0,0]=2 5810 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 22a_100015195136_100000210414 [0,2,0,0,0,0|0,0,0]=2 5811 B14R1.3714 CCC(=O)Nc1ccc(cc1Br)OC 527a_100015195136_100000210414 [0,2,0,0,0,0|0,0,0]=2 5812 B14R1.3714 CCC(=O)Nc1ccc(cc1C)C#N 11a_100011216260_100000210414 [0,2,0,0,0,0|2,0,0]=4 5813 B14R1.3714 CCC(=O)Nc1ccc(cc1C)C#N 1626a_100011216260_100000210414 [0,2,0,0,0,0|2,0,0]=4 5814 B14R1.3714 CCC(=O)Nc1ccc(cc1C)C#N 527a_100011216260_100000210414 [0,2,0,0,0,0|2,0,0]=4 5815 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 11a_100011226020_100000210414 [0,2,0,0,0,0|1,0,0]=3 5816 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 1626a_100011226020_100000210414 [0,2,0,0,0,0|1,0,0]=3 5817 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 22a_100011226020_100000210414 [0,2,0,0,0,0|1,0,0]=3 5818 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CC 527a_100011226020_100000210414 [0,2,0,0,0,0|1,0,0]=3 5819 B14R1.3714 CCC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000210414 [0,2,0,0,0,0|2,0,0]=4 5820 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 11a_100000750285_100000210414 [0,2,0,0,0,0|0,0,0]=2 5821 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 1626a_100000750285_100000210414 [0,2,0,0,0,0|0,0,0]=2 5822 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 22a_100000750285_100000210414 [0,2,0,0,0,0|0,0,0]=2 5823 B14R1.3714 CCC(=O)Nc1ccc(cc1C)OC 527a_100000750285_100000210414 [0,2,0,0,0,0|0,0,0]=2 5824 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)C#N 1626a_100000690208_100000210414 [0,2,0,0,0,0|2,0,0]=4 5825 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 11a_100000747055_100000210414 [0,2,0,0,0,0|0,0,0]=2 5826 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 1626a_100000747055_100000210414 [0,2,0,0,0,0|0,0,0]=2 5827 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 22a_100000747055_100000210414 [0,2,0,0,0,0|0,0,0]=2 5828 B14R1.3714 CCC(=O)Nc1ccc(cc1Cl)OC 527a_100000747055_100000210414 [0,2,0,0,0,0|0,0,0]=2 5829 B14R1.3714 CCC(=O)Nc1ccc(cc1F)C#N 11a_100000760432_100000210414 [0,2,0,0,0,0|2,0,0]=4 5830 B14R1.3714 CCC(=O)Nc1ccc(cc1F)C#N 1626a_100000760432_100000210414 [0,2,0,0,0,0|2,0,0]=4 5831 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 11a_100016177294_100000210414 [0,2,0,0,0,0|1,0,0]=3 5832 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 1626a_100016177294_100000210414 [0,2,0,0,0,0|1,0,0]=3 5833 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 22a_100016177294_100000210414 [0,2,0,0,0,0|1,0,0]=3 5834 B14R1.3714 CCC(=O)Nc1ccc(cc1F)CC 527a_100016177294_100000210414 [0,2,0,0,0,0|1,0,0]=3 5835 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 11a_100011299463_100000210414 [0,2,0,0,0,0|0,0,0]=2 5836 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 1626a_100011299463_100000210414 [0,2,0,0,0,0|0,0,0]=2 5837 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 22a_100011299463_100000210414 [0,2,0,0,0,0|0,0,0]=2 5838 B14R1.3714 CCC(=O)Nc1ccc(cc1F)OC 527a_100011299463_100000210414 [0,2,0,0,0,0|0,0,0]=2 5839 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 11a_100012056844_100000210414 [0,2,0,0,0,0|0,1,0]=3 5840 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 1626a_100012056844_100000210414 [0,2,0,0,0,0|0,1,0]=3 5841 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 22a_100012056844_100000210414 [0,2,0,0,0,0|0,1,0]=3 5842 B14R1.3714 CCC(=O)Nc1ccc(cc1F)SC 527a_100012056844_100000210414 [0,2,0,0,0,0|0,1,0]=3 5843 B14R1.3714 CCC(=O)Nc1ccc(cc1I)C#N 1626a_100000067503_100000210414 [0,2,0,0,0,0|2,0,0]=4 5844 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 11a_100000049804_100000210414 [0,2,0,0,0,0|0,0,0]=2 5845 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 1626a_100000049804_100000210414 [0,2,0,0,0,0|0,0,0]=2 5846 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 22a_100000049804_100000210414 [0,2,0,0,0,0|0,0,0]=2 5847 B14R1.3714 CCC(=O)Nc1ccc(cc1I)OC 527a_100000049804_100000210414 [0,2,0,0,0,0|0,0,0]=2 5848 B14R1.3714 CCC(=O)Nc1ccc(cc1O)C#N 22a_100011997735_100000210414 [0,2,0,0,0,0|2,0,0]=4 5849 B14R1.3714 CCC(=O)Nc1ccc(cc1O)C#N 527a_100011997735_100000210414 [0,2,0,0,0,0|2,0,0]=4 5850 B14R1.3714 CCC(=O)Nc1ccc(cc1O)CC 22a_100000124328_100000210414 [0,2,0,0,0,0|1,0,0]=3 5851 B14R1.3714 CCC(=O)Nc1ccc(cc1O)CC 527a_100000124328_100000210414 [0,2,0,0,0,0|1,0,0]=3 5852 B14R1.3714 CCC(=O)Nc1ccc(cc1O)OC 22a_100016989039_100000210414 [0,2,0,0,0,0|0,0,0]=2 5853 B14R1.3714 CCC(=O)Nc1ccc(cc1O)OC 527a_100016989039_100000210414 [0,2,0,0,0,0|0,0,0]=2 5854 B14R1.3714 CCC(C)Nc1ccc(cc1Br)OC 34a_100015195136_100011215416 [0,2,0,0,0,0|1,0,1]=4 5855 B14R1.3714 CCC(C)Nc1ccc(cc1C)OC 34a_100000750285_100011215416 [0,2,0,0,0,0|1,0,1]=4 5856 B14R1.3714 CCC(C)Nc1ccc(cc1Cl)OC 34a_100000747055_100011215416 [0,2,0,0,0,0|1,0,1]=4 5857 B14R1.3714 CCC(C)Nc1ccc(cc1F)OC 34a_100011299463_100011215416 [0,2,0,0,0,0|1,0,1]=4 5858 B14R1.3714 CCC(C)Nc1ccc(cc1I)OC 34a_100000049804_100011215416 [0,2,0,0,0,0|1,0,1]=4 5859 B14R1.3714 CCC(C)Nc1ccc(cc1O)OC 34a_100016989039_100011215416 [0,2,0,0,0,0|1,0,1]=4 5860 B14R1.3714 CCc1ccc(c(c1)Br)NC(=O)CO 527a_100012339725_100000210174 [0,2,0,0,0,0|1,0,0]=3 5861 B14R1.3714 CCc1ccc(c(c1)Br)NC(=O)NC 2430a_100012339725_100102657272 [0,2,0,0,0,0|1,0,0]=3 5862 B14R1.3714 CCc1ccc(c(c1)C)NC(=O)CO 22a_100011226020_100000210174 [0,2,0,0,0,0|1,0,0]=3 5863 B14R1.3714 CCc1ccc(c(c1)C)NC(=O)CO 527a_100011226020_100000210174 [0,2,0,0,0,0|1,0,0]=3 5864 B14R1.3714 CCc1ccc(c(c1)C)NC(=O)NC 2430a_100011226020_100102657272 [0,2,0,0,0,0|1,0,0]=3 5865 B14R1.3714 CCc1ccc(c(c1)C)NC(=O)NC 512a_106832991638_100011226020 [0,2,0,0,0,0|1,0,0]=3 5866 B14R1.3714 CCc1ccc(c(c1)F)NC(=O)CO 22a_100016177294_100000210174 [0,2,0,0,0,0|1,0,0]=3 5867 B14R1.3714 CCc1ccc(c(c1)F)NC(=O)CO 527a_100016177294_100000210174 [0,2,0,0,0,0|1,0,0]=3 5868 B14R1.3714 CCc1ccc(c(c1)F)NC(=O)NC 2430a_100016177294_100102657272 [0,2,0,0,0,0|1,0,0]=3 5869 B14R1.3714 CCc1ccc(c(c1)O)NC(=O)CO 22a_100000124328_100000210174 [0,2,0,0,0,0|1,0,0]=3 5870 B14R1.3714 CCc1ccc(c(c1)O)NC(=O)CO 527a_100000124328_100000210174 [0,2,0,0,0,0|1,0,0]=3 5871 B14R1.3714 CCc1ccc(c(c1)O)NC(=O)NC 2430a_100000124328_100102657272 [0,2,0,0,0,0|1,0,0]=3 5872 B14R1.3714 CNC(=O)Cc1ccc(cc1Br)OC 11a_106832991635_100000238646 [0,2,0,0,0,0|1,0,0]=3 5873 B14R1.3714 CNC(=O)Cc1ccc(cc1Br)OC 240690a_100102657272_100000238646 [0,2,0,0,0,0|1,0,0]=3 5874 B14R1.3714 CNC(=O)Cc1ccc(cc1Br)OC 527a_100102657272_100000238646 [0,2,0,0,0,0|1,0,0]=3 5875 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 11a_106832991635_100011996676 [0,2,0,0,0,0|1,0,0]=3 5876 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 1626a_100102657272_100011996676 [0,2,0,0,0,0|1,0,0]=3 5877 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 240690a_100102657272_100011996676 [0,2,0,0,0,0|1,0,0]=3 5878 B14R1.3714 CNC(=O)Cc1ccc(cc1C)OC 527a_100102657272_100011996676 [0,2,0,0,0,0|1,0,0]=3 5879 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 11a_106832991635_100000688043 [0,2,0,0,0,0|1,0,0]=3 5880 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 1626a_100102657272_100000688043 [0,2,0,0,0,0|1,0,0]=3 5881 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 240690a_100102657272_100000688043 [0,2,0,0,0,0|1,0,0]=3 5882 B14R1.3714 CNC(=O)Cc1ccc(cc1Cl)OC 527a_100102657272_100000688043 [0,2,0,0,0,0|1,0,0]=3 5883 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 11a_106832991635_100000709196 [0,2,0,0,0,0|1,0,0]=3 5884 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 1626a_100102657272_100000709196 [0,2,0,0,0,0|1,0,0]=3 5885 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 240690a_100102657272_100000709196 [0,2,0,0,0,0|1,0,0]=3 5886 B14R1.3714 CNC(=O)Cc1ccc(cc1F)OC 527a_100102657272_100000709196 [0,2,0,0,0,0|1,0,0]=3 5887 B14R1.3714 CNC(=O)Nc1ccc(cc1Br)C#N 512a_100000736769_100102657272 [0,2,0,0,0,0|2,0,0]=4 5888 B14R1.3714 CNC(=O)Nc1ccc(cc1Br)OC 2430a_100015195136_100102657272 [0,2,0,0,0,0|0,0,0]=2 5889 B14R1.3714 CNC(=O)Nc1ccc(cc1C)C#N 2430a_100011216260_100102657272 [0,2,0,0,0,0|2,0,0]=4 5890 B14R1.3714 CNC(=O)Nc1ccc(cc1C)C#N 512a_100011216260_100102657272 [0,2,0,0,0,0|2,0,0]=4 5891 B14R1.3714 CNC(=O)Nc1ccc(cc1C)C#N 512a_106832991638_100011216260 [0,2,0,0,0,0|2,0,0]=4 5892 B14R1.3714 CNC(=O)Nc1ccc(cc1C)CO 2430a_200011997030_100102657272 [0,2,0,0,0,0|2,0,0]=4 5893 B14R1.3714 CNC(=O)Nc1ccc(cc1C)OC 2430a_100000750285_100102657272 [0,2,0,0,0,0|0,0,0]=2 5894 B14R1.3714 CNC(=O)Nc1ccc(cc1Cl)OC 2430a_100000747055_100102657272 [0,2,0,0,0,0|0,0,0]=2 5895 B14R1.3714 CNC(=O)Nc1ccc(cc1F)C#N 512a_100000760432_100102657272 [0,2,0,0,0,0|2,0,0]=4 5896 B14R1.3714 CNC(=O)Nc1ccc(cc1F)OC 2430a_100011299463_100102657272 [0,2,0,0,0,0|0,0,0]=2 5897 B14R1.3714 CNC(=O)Nc1ccc(cc1F)SC 2430a_100012056844_100102657272 [0,2,0,0,0,0|0,1,0]=3 5898 B14R1.3714 CNC(=O)Nc1ccc(cc1I)C#N 512a_100000067503_100102657272 [0,2,0,0,0,0|2,0,0]=4 5899 B14R1.3714 CNC(=O)Nc1ccc(cc1I)OC 2430a_100000049804_100102657272 [0,2,0,0,0,0|0,0,0]=2 5900 B14R1.3714 CNC(=O)Nc1ccc(cc1O)OC 2430a_100016989039_100102657272 [0,2,0,0,0,0|0,0,0]=2 5901 B14R1.3714 COC(=O)Cc1ccc(cc1F)OC 34a_100009869613_200000210301 [0,2,0,0,0,0|1,0,0]=3 5902 B14R1.3714 COC(=O)Cc1ccc(cc1F)OC 7a_100009869613_200000210301 [0,2,0,0,0,0|1,0,0]=3 5903 B14R1.3714 COC(=O)Cc1ccc(cc1F)O[13CH3] 34a_100009869613_200025704644 [0,2,0,0,0,0|1,0,0]=3 5904 B14R1.3714 COC(=O)Cc1ccc(cc1F)O[13CH3] 7a_100009869613_200025704644 [0,2,0,0,0,0|1,0,0]=3 5905 B14R1.3714 COC(=O)Cc1ccc(cc1F)SC 62a_100013023952_200000210301 [0,2,0,0,0,0|1,1,0]=4 5906 B14R1.3714 COC(=O)Cc1ccc(cc1F)SC 62a_200000210301_100013023952 [0,2,0,0,0,0|1,1,0]=4 5907 B14R1.3714 COC(=O)Cc1ccc(cc1F)S[13CH3] 62a_100013023952_200025704644 [0,2,0,0,0,0|1,1,0]=4 5908 B14R1.3714 COC(=O)Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100013023952 [0,2,0,0,0,0|1,1,0]=4 5909 B14R1.3714 COC(=O)Cc1ccc(cc1O)SC 62a_100010150832_200000210301 [0,2,0,0,0,0|1,1,0]=4 5910 B14R1.3714 COC(=O)Cc1ccc(cc1O)SC 62a_200000210301_100010150832 [0,2,0,0,0,0|1,1,0]=4 5911 B14R1.3714 COC(=O)Cc1ccc(cc1O)S[13CH3] 62a_100010150832_200025704644 [0,2,0,0,0,0|1,1,0]=4 5912 B14R1.3714 COC(=O)Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100010150832 [0,2,0,0,0,0|1,1,0]=4 5913 B14R1.3714 COc1ccc(c(c1)Br)CC(=O)CF 1458a_100000238646_100015361967 [0,2,0,0,0,0|1,0,0]=3 5914 B14R1.3714 COc1ccc(c(c1)Br)CC(=O)CO 1458a_100000210174_100011982828 [0,2,0,0,0,0|1,0,0]=3 5915 B14R1.3714 COc1ccc(c(c1)Br)NC(=O)CO 22a_100015195136_100000210174 [0,2,0,0,0,0|0,0,0]=2 5916 B14R1.3714 COc1ccc(c(c1)Br)NC(=O)CO 527a_100015195136_100000210174 [0,2,0,0,0,0|0,0,0]=2 5917 B14R1.3714 COc1ccc(c(c1)Br)NC(C)CO 34a_100015195136_100012180447 [0,2,0,0,0,0|0,0,2]=4 5918 B14R1.3714 COc1ccc(c(c1)C)CC(=O)CF 1458a_100011996676_100015361967 [0,2,0,0,0,0|1,0,0]=3 5919 B14R1.3714 COc1ccc(c(c1)C)NC(=O)CO 22a_100000750285_100000210174 [0,2,0,0,0,0|0,0,0]=2 5920 B14R1.3714 COc1ccc(c(c1)C)NC(=O)CO 527a_100000750285_100000210174 [0,2,0,0,0,0|0,0,0]=2 5921 B14R1.3714 COc1ccc(c(c1)C)NC(C)CO 34a_100000750285_100012180447 [0,2,0,0,0,0|0,0,2]=4 5922 B14R1.3714 COc1ccc(c(c1)Cl)CC(=O)CF 1458a_100000688043_100015361967 [0,2,0,0,0,0|1,0,0]=3 5923 B14R1.3714 COc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_200011830453 [0,2,0,0,0,0|1,0,0]=3 5924 B14R1.3714 COc1ccc(c(c1)Cl)NC(=O)CO 22a_100000747055_100000210174 [0,2,0,0,0,0|0,0,0]=2 5925 B14R1.3714 COc1ccc(c(c1)Cl)NC(=O)CO 527a_100000747055_100000210174 [0,2,0,0,0,0|0,0,0]=2 5926 B14R1.3714 COc1ccc(c(c1)Cl)NC(C)CO 34a_100000747055_100012180447 [0,2,0,0,0,0|0,0,2]=4 5927 B14R1.3714 COc1ccc(c(c1)F)CC(=O)CF 1458a_100000709196_100015361967 [0,2,0,0,0,0|1,0,0]=3 5928 B14R1.3714 COc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100011260761 [0,2,0,0,0,0|1,0,0]=3 5929 B14R1.3714 COc1ccc(c(c1)F)NC(=O)CO 22a_100011299463_100000210174 [0,2,0,0,0,0|0,0,0]=2 5930 B14R1.3714 COc1ccc(c(c1)F)NC(=O)CO 527a_100011299463_100000210174 [0,2,0,0,0,0|0,0,0]=2 5931 B14R1.3714 COc1ccc(c(c1)F)NC(C)CO 34a_100011299463_100012180447 [0,2,0,0,0,0|0,0,2]=4 5932 B14R1.3714 COc1ccc(c(c1)I)C=C(C)C#N 6a_100010159643_200000212204 [0,2,0,0,0,0|2,0,0]=4 5933 B14R1.3714 COc1ccc(c(c1)I)NC(=O)CO 22a_100000049804_100000210174 [0,2,0,0,0,0|0,0,0]=2 5934 B14R1.3714 COc1ccc(c(c1)I)NC(=O)CO 527a_100000049804_100000210174 [0,2,0,0,0,0|0,0,0]=2 5935 B14R1.3714 COc1ccc(c(c1)I)NC(C)CO 34a_100000049804_100012180447 [0,2,0,0,0,0|0,0,2]=4 5936 B14R1.3714 COc1ccc(c(c1)O)NC(=O)CO 22a_100016989039_100000210174 [0,2,0,0,0,0|0,0,0]=2 5937 B14R1.3714 COc1ccc(c(c1)O)NC(=O)CO 527a_100016989039_100000210174 [0,2,0,0,0,0|0,0,0]=2 5938 B14R1.3714 COc1ccc(c(c1)O)NC(C)CO 34a_100016989039_100012180447 [0,2,0,0,0,0|0,0,2]=4 5939 B14R1.3714 CSc1ccc(c(c1)C)NC(=O)CN 62a_200000210301_100000684459 [0,2,0,0,0,0|0,1,0]=3 5940 B14R1.3714 CSc1ccc(c(c1)F)NC(=O)CN 62a_200000210301_100015183277 [0,2,0,0,0,0|0,1,0]=3 5941 B14R1.3714 CSc1ccc(c(c1)F)NC(=O)CO 22a_100012056844_100000210174 [0,2,0,0,0,0|0,1,0]=3 5942 B14R1.3714 CSc1ccc(c(c1)F)NC(=O)CO 527a_100012056844_100000210174 [0,2,0,0,0,0|0,1,0]=3 5943 B14R1.3714 Cc1cc(ccc1NC(=O)CN)S[13CH3] 62a_200025704644_100000684459 [0,2,0,0,0,0|0,1,0]=3 5944 B14R1.3714 Cc1cc(ccc1NC(=O)CO)C#N 527a_100011216260_100000210174 [0,2,0,0,0,0|2,0,0]=4 5945 B14R1.3714 Cc1cc(ccc1NC(=O)CO)CO 22a_200011997030_100000210174 [0,2,0,0,0,0|2,0,0]=4 5946 B14R1.3714 N#Cc1ccc(c(c1)O)NC(=O)CO 22a_100011997735_100000210174 [0,2,0,0,0,0|2,0,0]=4 5947 B14R1.3714 N#Cc1ccc(c(c1)O)NC(=O)CO 527a_100011997735_100000210174 [0,2,0,0,0,0|2,0,0]=4 5948 B14R1.3714 [13CH3]Sc1ccc(c(c1)F)NC(=O)CN 62a_200025704644_100015183277 [0,2,0,0,0,0|0,1,0]=3 5949 B14R1.140 C=C=Cc1ccc(cc1C)NC(=O)C 271570a_100015277604_100000155607 [0,2,0,0,0,0|1,0,1]=4 5950 B14R1.140 C=C=Cc1ccc(cc1F)NC(=O)C 271570a_100015277604_100011219590 [0,2,0,0,0,0|1,0,1]=4 5951 B14R1.140 CC(=O)Cc1ccc(c(c1)Br)OCF 34a_100010141077_100015361967 [0,2,0,0,0,0|1,0,0]=3 5952 B14R1.140 CC(=O)Cc1ccc(c(c1)Br)OCF 7a_100010141077_100015361967 [0,2,0,0,0,0|1,0,0]=3 5953 B14R1.140 CC(=O)Cc1ccc(c(c1)C)OCF 34a_200000080089_100015361967 [0,2,0,0,0,0|1,0,0]=3 5954 B14R1.140 CC(=O)Cc1ccc(c(c1)C)OCF 7a_200000080089_100015361967 [0,2,0,0,0,0|1,0,0]=3 5955 B14R1.140 CC(=O)Cc1ccc(c(c1)Cl)OCF 34a_200000080078_100015361967 [0,2,0,0,0,0|1,0,0]=3 5956 B14R1.140 CC(=O)Cc1ccc(c(c1)Cl)OCF 7a_200000080078_100015361967 [0,2,0,0,0,0|1,0,0]=3 5957 B14R1.140 CC(=O)Nc1cc(c(cn1)SCF)C 62a_100015361967_100011934553 [0,2,0,0,0,0|1,1,0]=4 5958 B14R1.140 CC(=O)Nc1ccc(c(c1)Br)SC#N 1626a_200012361504_100015343762 [0,2,0,0,0,0|0,1,1]=4 5959 B14R1.140 CC(=O)Nc1ccc(c(c1)Br)SC#N 22a_200012361504_100000070787 [0,2,0,0,0,0|0,1,1]=4 5960 B14R1.140 CC(=O)Nc1ccc(c(c1)Br)SC#N 527a_200012361504_100103153847 [0,2,0,0,0,0|0,1,1]=4 5961 B14R1.140 CC(=O)Nc1ccc(c(c1)C)OCF 34a_100012186693_100015361967 [0,2,0,0,0,0|0,0,0]=2 5962 B14R1.140 CC(=O)Nc1ccc(c(c1)C)OCF 7a_100012186693_100015361967 [0,2,0,0,0,0|0,0,0]=2 5963 B14R1.140 CC(=O)Nc1ccc(c(c1)C)SCF 62a_100015361967_100000155607 [0,2,0,0,0,0|0,1,0]=3 5964 B14R1.140 CC(=O)Nc1ccc(c(c1)Cl)OCF 34a_100011215158_100015361967 [0,2,0,0,0,0|0,0,0]=2 5965 B14R1.140 CC(=O)Nc1ccc(c(c1)Cl)OCF 7a_100011215158_100015361967 [0,2,0,0,0,0|0,0,0]=2 5966 B14R1.140 CC(=O)Nc1ccc(c(c1)Cl)SC#N 1626a_200000243757_100015343762 [0,2,0,0,0,0|0,1,1]=4 5967 B14R1.140 CC(=O)Nc1ccc(c(c1)Cl)SC#N 22a_200000243757_100000070787 [0,2,0,0,0,0|0,1,1]=4 5968 B14R1.140 CC(=O)Nc1ccc(c(c1)F)SC#N 1626a_200000117623_100015343762 [0,2,0,0,0,0|0,1,1]=4 5969 B14R1.140 CC(=O)Nc1ccc(c(c1)F)SC#N 22a_200000117623_100000070787 [0,2,0,0,0,0|0,1,1]=4 5970 B14R1.140 CC(=O)Nc1ccc(c(c1)F)SC#N 527a_200000117623_100103153847 [0,2,0,0,0,0|0,1,1]=4 5971 B14R1.140 CC(=O)Nc1ccc(c(c1)F)SCF 62a_100015361967_100011219590 [0,2,0,0,0,0|0,1,0]=3 5972 B14R1.140 CC(=O)Nc1ccc(c(n1)C)SCF 62a_100000187074_100015361967 [0,2,0,0,0,0|1,1,0]=4 5973 B14R1.140 CC(=O)Nc1ccc(c(n1)C)SCF 62a_100015361967_100000187074 [0,2,0,0,0,0|1,1,0]=4 5974 B14R1.140 CC(=O)Nc1ccc(c(n1)F)SCF 62a_100015361967_100000050017 [0,2,0,0,0,0|1,1,0]=4 5975 B14R1.140 CC=Cc1ccc(cc1C)NC(=O)C 271570a_100016259895_100000155607 [0,2,0,0,0,0|1,0,0]=3 5976 B14R1.140 CC=Cc1ccc(cc1C)NC(=O)N 271570a_100016259895_100000238934 [0,2,0,0,0,0|2,0,0]=4 5977 B14R1.140 CC=Cc1ccc(cc1F)NC(=O)C 271570a_100016259895_100011219590 [0,2,0,0,0,0|1,0,0]=3 5978 B14R1.140 CC=Cc1ccc(nc1C)NC(=O)C 271570a_100016259895_100000187074 [0,2,0,0,0,0|2,0,0]=4 5979 B14R1.140 CC=Cc1ccc(nc1F)NC(=O)C 271570a_100016259895_100000050017 [0,2,0,0,0,0|2,0,0]=4 5980 B14R1.140 CC=Cc1cnc(cc1C)NC(=O)C 271570a_100016259895_100011934553 [0,2,0,0,0,0|2,0,0]=4 5981 B14R1.140 CCOc1ccc(cc1Br)CC(=O)C 34a_100010141077_100000210202 [0,2,0,0,0,0|1,0,0]=3 5982 B14R1.140 CCOc1ccc(cc1Br)CC(=O)C 7a_100010141077_100000210202 [0,2,0,0,0,0|1,0,0]=3 5983 B14R1.140 CCOc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011308936 [0,2,0,0,0,0|2,0,0]=4 5984 B14R1.140 CCOc1ccc(cc1C)CC(=O)C 34a_200000080089_100000210202 [0,2,0,0,0,0|1,0,0]=3 5985 B14R1.140 CCOc1ccc(cc1C)CC(=O)C 7a_200000080089_100000210202 [0,2,0,0,0,0|1,0,0]=3 5986 B14R1.140 CCOc1ccc(cc1C)NC(=O)C 34a_100012186693_100000210202 [0,2,0,0,0,0|0,0,0]=2 5987 B14R1.140 CCOc1ccc(cc1C)NC(=O)C 7a_100012186693_100000210202 [0,2,0,0,0,0|0,0,0]=2 5988 B14R1.140 CCOc1ccc(cc1Cl)CC(=O)C 34a_200000080078_100000210202 [0,2,0,0,0,0|1,0,0]=3 5989 B14R1.140 CCOc1ccc(cc1Cl)CC(=O)C 7a_200000080078_100000210202 [0,2,0,0,0,0|1,0,0]=3 5990 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 11a_100000741444_100015343762 [0,2,0,0,0,0|0,0,0]=2 5991 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 1626a_100000741444_100015343762 [0,2,0,0,0,0|0,0,0]=2 5992 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 22a_100000741444_100000070787 [0,2,0,0,0,0|0,0,0]=2 5993 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 34a_100011215158_100000210202 [0,2,0,0,0,0|0,0,0]=2 5994 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 527a_100000741444_100103153847 [0,2,0,0,0,0|0,0,0]=2 5995 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 7a_100011215158_100000210202 [0,2,0,0,0,0|0,0,0]=2 5996 B14R1.140 CCOc1ccc(cc1Cl)NC(C)C 2230a_100000741444_100000210206 [0,2,0,0,0,0|1,0,1]=4 5997 B14R1.140 CCOc1ccc(cc1Cl)NC(C)C 34a_100000741444_100000210206 [0,2,0,0,0,0|1,0,1]=4 5998 B14R1.140 CCOc1ccc(cc1Cl)NC(C)C 7a_100000741444_100000210206 [0,2,0,0,0,0|1,0,1]=4 5999 B14R1.140 CCOc1ccc(cc1F)C=C(C)C 271570a_100102525489_200000171753 [0,2,0,0,0,0|2,0,0]=4 6000 B14R1.140 CCOc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000751366 [0,2,0,0,0,0|2,0,0]=4 6001 B14R1.140 CCSc1ccc(cc1C)NC(=O)C 62a_100000210202_100000155607 [0,2,0,0,0,0|0,1,0]=3 6002 B14R1.140 CCSc1ccc(cc1C)NC(=O)N 62a_100000210202_100000238934 [0,2,0,0,0,0|1,1,0]=4 6003 B14R1.140 CCSc1ccc(cc1F)NC(=O)C 62a_100000210202_100011219590 [0,2,0,0,0,0|0,1,0]=3 6004 B14R1.140 CCSc1ccc(nc1C)NC(=O)C 62a_100000187074_100000210202 [0,2,0,0,0,0|1,1,0]=4 6005 B14R1.140 CCSc1ccc(nc1C)NC(=O)C 62a_100000210202_100000187074 [0,2,0,0,0,0|1,1,0]=4 6006 B14R1.140 CCSc1ccc(nc1F)NC(=O)C 62a_100000210202_100000050017 [0,2,0,0,0,0|1,1,0]=4 6007 B14R1.140 CCSc1cnc(cc1C)NC(=O)C 62a_100000210202_100011934553 [0,2,0,0,0,0|1,1,0]=4 6008 B14R1.140 CNCc1ccc(cc1Br)CC(=O)C 26a_100102657272_100010141077 [0,2,0,0,0,0|2,0,0]=4 6009 B14R1.140 CNCc1ccc(cc1Cl)CC(=O)C 26a_100102657272_200000080078 [0,2,0,0,0,0|2,0,0]=4 6010 B14R1.140 CNCc1ccc(cc1Cl)NC(=O)C 26a_100102657272_100011215158 [0,2,0,0,0,0|1,0,0]=3 6011 B14R1.140 COCc1ccc(cc1F)NC(=O)C 11a_100012145864_100015343762 [0,2,0,0,0,0|0,0,0]=2 6012 B14R1.140 COCc1ccc(cc1F)NC(=O)C 1626a_100012145864_100015343762 [0,2,0,0,0,0|0,0,0]=2 6013 B14R1.140 COCc1ccc(cc1F)NC(=O)C 22a_100012145864_100000070787 [0,2,0,0,0,0|0,0,0]=2 6014 B14R1.140 COCc1ccc(cc1F)NC(=O)C 527a_100012145864_100103153847 [0,2,0,0,0,0|0,0,0]=2 6015 B14R1.140 COCc1ccc(cc1F)NC(C)C 34a_100012145864_100000210206 [0,2,0,0,0,0|1,0,1]=4 6016 B14R1.140 COCc1ccc(cc1F)NC(C)C 7a_100012145864_100000210206 [0,2,0,0,0,0|1,0,1]=4 6017 B14R1.140 COCc1ccc(cc1N)C=C(C)C 271570a_100102525489_100013084866 [0,2,0,0,0,0|2,0,0]=4 6018 B14R1.140 Cc1cc(ccc1SCF)NC(=O)N 62a_100015361967_100000238934 [0,2,0,0,0,0|1,1,0]=4 6019 B14R1.2284 C=Cc1cc(c(cc1C)NC(=O)C)C 271570a_100011290941_100009992581 [0,2,0,0,0,0|1,0,1]=4 6020 B14R1.2284 C=Cc1cc(c(cc1F)NC(=O)C)C 271570a_100011290941_200013212116 [0,2,0,0,0,0|1,0,1]=4 6021 B14R1.2284 C=Cc1cc(c(cc1F)NC(=O)C)F 271570a_100011290941_200012359909 [0,2,0,0,0,0|1,0,1]=4 6022 B14R1.2284 CC(=O)Nc1cc(c(cc1Br)C#N)F 11a_200015809822_100015343762 [0,2,0,0,0,0|2,0,0]=4 6023 B14R1.2284 CC(=O)Nc1cc(c(cc1Br)C#N)F 1626a_200015809822_100015343762 [0,2,0,0,0,0|2,0,0]=4 6024 B14R1.2284 CC(=O)Nc1cc(c(cc1C)C#N)F 11a_200009856621_100015343762 [0,2,0,0,0,0|2,0,0]=4 6025 B14R1.2284 CC(=O)Nc1cc(c(cc1C)C#N)F 1626a_200009856621_100015343762 [0,2,0,0,0,0|2,0,0]=4 6026 B14R1.2284 CC(=O)Nc1cc(c(cc1C)S[13CH3])C 62a_200025704644_100009992581 [0,2,0,0,0,0|0,1,0]=3 6027 B14R1.2284 CC(=O)Nc1cc(c(cc1C)S[13CH3])F 62a_200013212116_200025704644 [0,2,0,0,0,0|0,1,0]=3 6028 B14R1.2284 CC(=O)Nc1cc(c(cc1C)S[13CH3])F 62a_200025704644_200013212116 [0,2,0,0,0,0|0,1,0]=3 6029 B14R1.2284 CC(=O)Nc1cc(c(cc1F)C#N)Cl 11a_100000102500_100015343762 [0,2,0,0,0,0|2,0,0]=4 6030 B14R1.2284 CC(=O)Nc1cc(c(cc1F)C#N)Cl 1626a_100000102500_100015343762 [0,2,0,0,0,0|2,0,0]=4 6031 B14R1.2284 CC(=O)Nc1cc(c(cc1F)C#N)F 11a_100011214902_100015343762 [0,2,0,0,0,0|2,0,0]=4 6032 B14R1.2284 CC(=O)Nc1cc(c(cc1F)C#N)F 1626a_100011214902_100015343762 [0,2,0,0,0,0|2,0,0]=4 6033 B14R1.2284 CC(=O)Nc1cc(c(cc1F)S[13CH3])F 62a_200012359909_200025704644 [0,2,0,0,0,0|0,1,0]=3 6034 B14R1.2284 CC(=O)Nc1cc(c(cc1F)S[13CH3])F 62a_200025704644_200012359909 [0,2,0,0,0,0|0,1,0]=3 6035 B14R1.2284 COc1cc(c(cc1Br)NC(=O)C)C 11a_106657271712_100015343762 [0,2,0,0,0,0|0,0,0]=2 6036 B14R1.2284 COc1cc(c(cc1Br)NC(=O)C)C 1626a_106657271712_100015343762 [0,2,0,0,0,0|0,0,0]=2 6037 B14R1.2284 COc1cc(c(cc1Br)NC(=O)C)C 22a_106657271712_100000070787 [0,2,0,0,0,0|0,0,0]=2 6038 B14R1.2284 COc1cc(c(cc1Br)NC(=O)C)C 527a_106657271712_100103153847 [0,2,0,0,0,0|0,0,0]=2 6039 B14R1.2284 COc1cc(c(cc1Br)NC(C)C)C 34a_106657271712_100000210206 [0,2,0,0,0,0|1,0,1]=4 6040 B14R1.2284 COc1cc(c(cc1Br)NC(C)C)C 7a_106657271712_100000210206 [0,2,0,0,0,0|1,0,1]=4 6041 B14R1.2284 COc1cc(c(cc1C)C=C(C)C)C 271570a_100102525489_100000698960 [0,2,0,0,0,0|2,0,0]=4 6042 B14R1.2284 COc1cc(c(cc1C)C=C(C)C)N 271570a_100102525489_100010244135 [0,2,0,0,0,0|2,0,0]=4 6043 B14R1.2284 COc1cc(c(cc1C)NC(=O)C)Br 11a_200010584344_100015343762 [0,2,0,0,0,0|0,0,0]=2 6044 B14R1.2284 COc1cc(c(cc1C)NC(=O)C)Br 1626a_200010584344_100015343762 [0,2,0,0,0,0|0,0,0]=2 6045 B14R1.2284 COc1cc(c(cc1C)NC(C)C)Br 34a_200010584344_100000210206 [0,2,0,0,0,0|1,0,1]=4 6046 B14R1.2284 COc1cc(c(cc1C)NC(C)C)Br 7a_200010584344_100000210206 [0,2,0,0,0,0|1,0,1]=4 6047 B14R1.2284 COc1cc(c(cc1Cl)NC(=O)C)C 11a_100012039520_100015343762 [0,2,0,0,0,0|0,0,0]=2 6048 B14R1.2284 COc1cc(c(cc1Cl)NC(=O)C)C 1626a_100012039520_100015343762 [0,2,0,0,0,0|0,0,0]=2 6049 B14R1.2284 COc1cc(c(cc1Cl)NC(=O)C)C 22a_100012039520_100000070787 [0,2,0,0,0,0|0,0,0]=2 6050 B14R1.2284 COc1cc(c(cc1Cl)NC(=O)C)C 527a_100012039520_100103153847 [0,2,0,0,0,0|0,0,0]=2 6051 B14R1.2284 COc1cc(c(cc1Cl)NC(=O)C)Cl 11a_100011935304_100015343762 [0,2,0,0,0,0|0,0,0]=2 6052 B14R1.2284 COc1cc(c(cc1Cl)NC(=O)C)Cl 1626a_100011935304_100015343762 [0,2,0,0,0,0|0,0,0]=2 6053 B14R1.2284 COc1cc(c(cc1Cl)NC(C)C)C 34a_100012039520_100000210206 [0,2,0,0,0,0|1,0,1]=4 6054 B14R1.2284 COc1cc(c(cc1Cl)NC(C)C)C 7a_100012039520_100000210206 [0,2,0,0,0,0|1,0,1]=4 6055 B14R1.2284 COc1cc(c(cc1Cl)NC(C)C)Cl 34a_100011935304_100000210206 [0,2,0,0,0,0|1,0,1]=4 6056 B14R1.2284 COc1cc(c(cc1F)C=C(C)C)C 271570a_100102525489_100010074640 [0,2,0,0,0,0|2,0,0]=4 6057 B14R1.2284 COc1cc(c(cc1F)C=C(C)C)F 271570a_100102525489_100009813720 [0,2,0,0,0,0|2,0,0]=4 6058 B14R1.2284 COc1cc(c(cc1F)C=C(C)C)N 271570a_100102525489_100010208193 [0,2,0,0,0,0|2,0,0]=4 6059 B14R1.2284 COc1cc(c(cc1F)NC(=O)C)Br 11a_100010365326_100015343762 [0,2,0,0,0,0|0,0,0]=2 6060 B14R1.2284 COc1cc(c(cc1F)NC(=O)C)Br 1626a_100010365326_100015343762 [0,2,0,0,0,0|0,0,0]=2 6061 B14R1.2284 COc1cc(c(cc1F)NC(C)C)Br 34a_100010365326_100000210206 [0,2,0,0,0,0|1,0,1]=4 6062 B14R1.2284 COc1cc(c(cc1N)C=C(C)C)Cl 271570a_100102525489_100011011177 [0,2,0,0,0,0|2,0,0]=4 6063 B14R1.2284 COc1cc(c(cc1N)C=C(C)C)F 271570a_100102525489_100012361397 [0,2,0,0,0,0|2,0,0]=4 6064 B14R1.2284 CSc1cc(c(cc1C)NC(=O)C)C 62a_200000210301_100009992581 [0,2,0,0,0,0|0,1,0]=3 6065 B14R1.2284 CSc1cc(c(cc1F)NC(=O)C)C 62a_200000210301_200013212116 [0,2,0,0,0,0|0,1,0]=3 6066 B14R1.2284 CSc1cc(c(cc1F)NC(=O)C)C 62a_200013212116_200000210301 [0,2,0,0,0,0|0,1,0]=3 6067 B14R1.2284 CSc1cc(c(cc1F)NC(=O)C)F 62a_200000210301_200012359909 [0,2,0,0,0,0|0,1,0]=3 6068 B14R1.2284 CSc1cc(c(cc1F)NC(=O)C)F 62a_200012359909_200000210301 [0,2,0,0,0,0|0,1,0]=3 6069 B14R1.3651 C=Cc1cc(ccc1OC)CC(=O)C 271570a_100011290941_100011493462 [0,2,0,0,0,0|1,0,0]=3 6070 B14R1.3651 CC(=O)Nc1ccc(c(c1)C#N)C#N 11a_100000758296_100015343762 [0,2,0,0,0,0|2,0,0]=4 6071 B14R1.3651 CC(=O)Nc1ccc(c(c1)C#N)C#N 1626a_100000758296_100015343762 [0,2,0,0,0,0|2,0,0]=4 6072 B14R1.3651 CC(=O)Nc1ccc(c(c1)C#N)C#N 527a_100000758296_100103153847 [0,2,0,0,0,0|2,0,0]=4 6073 B14R1.3651 CC(=O)Oc1ccc(c(c1)C=O)S[13CH3] 62a_100009816906_200025704644 [0,2,0,0,0,0|1,1,0]=4 6074 B14R1.3651 CC(=O)Oc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100009816906 [0,2,0,0,0,0|1,1,0]=4 6075 B14R1.3651 CCc1cc(ccc1OC)C=C(C)C 271570a_100102525489_200010179862 [0,2,0,0,0,0|2,0,0]=4 6076 B14R1.3651 CNc1cc(ccc1OC)NC(=O)C 34a_100000211725_200000210301 [0,2,0,0,0,0|0,0,0]=2 6077 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 11a_100011999456_100015343762 [0,2,0,0,0,0|2,0,0]=4 6078 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 1626a_100011999456_100015343762 [0,2,0,0,0,0|2,0,0]=4 6079 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 527a_100011999456_100103153847 [0,2,0,0,0,0|2,0,0]=4 6080 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [0,2,0,0,0,0|2,0,0]=4 6081 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,2,0,0,0,0|1,0,0]=3 6082 B14R1.3651 COc1ccc(cc1C#N)C=C(C)C 271570a_100102525489_100000188252 [0,2,0,0,0,0|2,0,0]=4 6083 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 11a_100011204338_100015343762 [0,2,0,0,0,0|0,0,0]=2 6084 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 1626a_100011204338_100015343762 [0,2,0,0,0,0|0,0,0]=2 6085 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 22a_100011204338_100000070787 [0,2,0,0,0,0|0,0,0]=2 6086 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 527a_100011204338_100103153847 [0,2,0,0,0,0|0,0,0]=2 6087 B14R1.3651 COc1ccc(cc1C#N)NC(C)C 34a_100011204338_100000210206 [0,2,0,0,0,0|1,0,1]=4 6088 B14R1.3651 COc1ccc(cc1C#N)NC(C)C 7a_100011204338_100000210206 [0,2,0,0,0,0|1,0,1]=4 6089 B14R1.3651 COc1ccc(cc1C=O)C=C(C)C 271570a_100102525489_100000170026 [0,2,0,0,0,0|2,0,0]=4 6090 B14R1.3651 COc1ccc(cc1CN)C=C(C)C 271570a_100102525489_100000690498 [0,2,0,0,0,0|2,0,0]=4 6091 B14R1.3651 COc1ccc(cc1CO)C=C(C)C 271570a_100102525489_100000204679 [0,2,0,0,0,0|2,0,0]=4 6092 B14R1.3651 COc1ccc(cc1N[13CH3])NC(=O)C 34a_100000211725_200025704644 [0,2,0,0,0,0|0,0,0]=2 6093 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,2,0,0,0,0|2,0,0]=4 6094 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,2,0,0,0,0|1,0,0]=3 6095 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,2,0,0,0,0|1,0,0]=3 6096 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,2,0,0,0,0|1,0,0]=3 6097 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,2,0,0,0,0|0,0,0]=2 6098 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,2,0,0,0,0|0,0,0]=2 6099 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,2,0,0,0,0|0,0,0]=2 6100 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,2,0,0,0,0|0,0,0]=2 6101 B14R1.3651 COc1ccc(cc1OC)NC(C)C 34a_100000187404_100000210206 [0,2,0,0,0,0|1,0,1]=4 6102 B14R1.3651 COc1ccc(cc1SC)C=C(C)C 271570a_100102525489_200009892704 [0,2,0,0,0,0|2,0,0]=4 6103 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,2,0,0,0,0|1,0,0]=3 6104 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,2,0,0,0,0|1,0,0]=3 6105 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,2,0,0,0,0|1,0,0]=3 6106 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,2,0,0,0,0|1,0,0]=3 6107 B14R1.3651 CSc1ccc(cc1C=O)OC(=O)C 62a_100009816906_200000210301 [0,2,0,0,0,0|1,1,0]=4 6108 B14R1.3651 CSc1ccc(cc1C=O)OC(=O)C 62a_200000210301_100009816906 [0,2,0,0,0,0|1,1,0]=4 6109 B14R1.3652 COc1ccc(cc1Br)C(=C(C)C)C 271570a_200000049429_100011249507 [0,2,0,0,0,0|2,0,0]=4 6110 B14R1.3652 COc1ccc(cc1C)C(=C(C)C)C 271570a_200000049429_100011219705 [0,2,0,0,0,0|2,0,0]=4 6111 B14R1.3652 COc1ccc(cc1Cl)C(=C(C)C)C 271570a_200000049429_100012355395 [0,2,0,0,0,0|2,0,0]=4 6112 B14R1.3652 COc1ccc(cc1F)C(=C(C)C)C 271570a_200000049429_100000185480 [0,2,0,0,0,0|2,0,0]=4 6113 B14R1.3652 COc1ccc(cc1I)N(C)C(=O)C 11a_114948341033_100015343762 [0,2,0,0,0,0|0,0,0]=2 6114 B14R1.3652 COc1ccc(cc1I)N(C)C(=O)C 1626a_114948341033_100015343762 [0,2,0,0,0,0|0,0,0]=2 6115 B14R1.3652 COc1ccc(cc1I)N(C)C(=O)C 22a_114948341033_100000070787 [0,2,0,0,0,0|0,0,0]=2 6116 B14R1.3652 COc1ccc(cc1I)N(C)C(=O)C 527a_114948341033_100103153847 [0,2,0,0,0,0|0,0,0]=2 6117 B14R1.3652 COc1ccc(cc1I)N(C)C(C)C 269982a_114948341033_100000210206 [0,2,0,0,0,0|1,0,1]=4 6118 B14R1.3652 COc1ccc(cc1I)N(C)C(C)C 34a_114948341033_100000210206 [0,2,0,0,0,0|1,0,1]=4 6119 B14R1.3652 COc1ccc(cc1I)N(C)C(C)C 38a_114948341033_100000210206 [0,2,0,0,0,0|1,0,1]=4 6120 B14R1.3652 COc1ccc(cc1N)C(=C(C)C)C 271570a_200000049429_100000743470 [0,2,0,0,0,0|2,0,0]=4 6121 B14R1.3652 COc1ccc(cc1O)C(=C(C)C)C 271570a_200000049429_100009816560 [0,2,0,0,0,0|2,0,0]=4 6122 B14R1.3662 CC(=O)Nc1ccc(c(c1Br)F)C#N 11a_100020669540_100015343762 [0,2,0,0,0,0|2,0,0]=4 6123 B14R1.3662 CC(=O)Nc1ccc(c(c1Br)F)C#N 1626a_100020669540_100015343762 [0,2,0,0,0,0|2,0,0]=4 6124 B14R1.3662 CC(=O)Nc1ccc(c(c1C)Cl)C#N 11a_100000087022_100015343762 [0,2,0,0,0,0|2,0,0]=4 6125 B14R1.3662 CC(=O)Nc1ccc(c(c1C)Cl)C#N 1626a_100000087022_100015343762 [0,2,0,0,0,0|2,0,0]=4 6126 B14R1.3662 CC(=O)Nc1ccc(c(c1C)F)C#N 11a_100009825359_100015343762 [0,2,0,0,0,0|2,0,0]=4 6127 B14R1.3662 CC(=O)Nc1ccc(c(c1C)F)C#N 1626a_100009825359_100015343762 [0,2,0,0,0,0|2,0,0]=4 6128 B14R1.3662 CC(=O)Nc1ccc(c(c1C)F)C#N 527a_100009825359_100103153847 [0,2,0,0,0,0|2,0,0]=4 6129 B14R1.3662 CC(=O)Nc1ccc(c(c1Cl)Cl)C#N 11a_100009980984_100015343762 [0,2,0,0,0,0|2,0,0]=4 6130 B14R1.3662 CC(=O)Nc1ccc(c(c1Cl)Cl)C#N 1626a_100009980984_100015343762 [0,2,0,0,0,0|2,0,0]=4 6131 B14R1.3662 CC(=O)Nc1ccc(c(c1Cl)F)C#N 11a_200020856187_100015343762 [0,2,0,0,0,0|2,0,0]=4 6132 B14R1.3662 CC(=O)Nc1ccc(c(c1Cl)F)C#N 1626a_200020856187_100015343762 [0,2,0,0,0,0|2,0,0]=4 6133 B14R1.3662 CC(=O)Nc1ccc(c(c1F)C)C#N 11a_200025705709_100015343762 [0,2,0,0,0,0|2,0,0]=4 6134 B14R1.3662 CC(=O)Nc1ccc(c(c1F)C)C#N 1626a_200025705709_100015343762 [0,2,0,0,0,0|2,0,0]=4 6135 B14R1.3662 CC(=O)Nc1ccc(c(c1F)Cl)C#N 11a_100000085086_100015343762 [0,2,0,0,0,0|2,0,0]=4 6136 B14R1.3662 CC(=O)Nc1ccc(c(c1F)Cl)C#N 1626a_100000085086_100015343762 [0,2,0,0,0,0|2,0,0]=4 6137 B14R1.3662 CC(=O)Nc1ccc(c(c1F)F)C#N 11a_100011934839_100015343762 [0,2,0,0,0,0|2,0,0]=4 6138 B14R1.3662 CC(=O)Nc1ccc(c(c1F)F)C#N 1626a_100011934839_100015343762 [0,2,0,0,0,0|2,0,0]=4 6139 B14R1.3662 COc1ccc(c(c1C)C)C=C(C)C 271570a_100102525489_100000049725 [0,2,0,0,0,0|2,0,0]=4 6140 B14R1.3662 COc1ccc(c(c1C)C)NC(=O)C 11a_100025755787_100015343762 [0,2,0,0,0,0|0,0,0]=2 6141 B14R1.3662 COc1ccc(c(c1C)C)NC(=O)C 1626a_100025755787_100015343762 [0,2,0,0,0,0|0,0,0]=2 6142 B14R1.3662 COc1ccc(c(c1C)C)NC(=O)C 22a_100025755787_100000070787 [0,2,0,0,0,0|0,0,0]=2 6143 B14R1.3662 COc1ccc(c(c1C)C)NC(=O)C 527a_100025755787_100103153847 [0,2,0,0,0,0|0,0,0]=2 6144 B14R1.3662 COc1ccc(c(c1C)C)NC(C)C 2230a_100025755787_100000210206 [0,2,0,0,0,0|1,0,1]=4 6145 B14R1.3662 COc1ccc(c(c1C)C)NC(C)C 34a_100025755787_100000210206 [0,2,0,0,0,0|1,0,1]=4 6146 B14R1.3662 COc1ccc(c(c1C)C)NC(C)C 7a_100025755787_100000210206 [0,2,0,0,0,0|1,0,1]=4 6147 B14R1.3662 COc1ccc(c(c1F)F)C=C(C)C 271570a_100102525489_100009816879 [0,2,0,0,0,0|2,0,0]=4 6148 B14R1.3662 COc1ccc(c(c1F)F)CC(=O)C 1458a_100000062200_200000210301 [0,2,0,0,0,0|1,0,0]=3 6149 B14R1.3662 COc1ccc(c(c1F)F)CC(=O)C 1458a_100000070787_100009814551 [0,2,0,0,0,0|1,0,0]=3 6150 B14R1.3662 COc1ccc(c(c1F)F)CC(=O)[13CH3] 1458a_100000062200_200025704644 [0,2,0,0,0,0|1,0,0]=3 6151 B14R1.3662 COc1ccc(c(c1F)F)NC(=O)C 11a_100000062114_100015343762 [0,2,0,0,0,0|0,0,0]=2 6152 B14R1.3662 COc1ccc(c(c1F)F)NC(=O)C 1626a_100000062114_100015343762 [0,2,0,0,0,0|0,0,0]=2 6153 B14R1.3662 COc1ccc(c(c1F)F)NC(=O)C 22a_100000062114_100000070787 [0,2,0,0,0,0|0,0,0]=2 6154 B14R1.3662 COc1ccc(c(c1F)F)NC(=O)C 527a_100000062114_100103153847 [0,2,0,0,0,0|0,0,0]=2 6155 B14R1.3662 COc1ccc(c(c1F)F)NC(C)C 2230a_100000062114_100000210206 [0,2,0,0,0,0|1,0,1]=4 6156 B14R1.3662 COc1ccc(c(c1F)F)NC(C)C 34a_100000062114_100000210206 [0,2,0,0,0,0|1,0,1]=4 6157 B14R1.5801 C=C(C)c1ccc(cc1C)NC(=O)C 271570a_100000694244_100000155607 [0,2,0,0,0,0|1,0,0]=3 6158 B14R1.5801 C=C(C)c1ccc(cc1C)NC(=O)N 271570a_100000694244_100000238934 [0,2,0,0,0,0|2,0,0]=4 6159 B14R1.5801 C=C(C)c1ccc(cc1F)NC(=O)C 271570a_100000694244_100011219590 [0,2,0,0,0,0|1,0,0]=3 6160 B14R1.5801 C=C(C)c1ccc(nc1C)NC(=O)C 271570a_100000694244_100000187074 [0,2,0,0,0,0|2,0,0]=4 6161 B14R1.5801 C=C(C)c1ccc(nc1F)NC(=O)C 271570a_100000694244_100000050017 [0,2,0,0,0,0|2,0,0]=4 6162 B14R1.5801 C=C(C)c1cnc(cc1C)NC(=O)C 271570a_100000694244_100011934553 [0,2,0,0,0,0|2,0,0]=4 6163 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 11a_100011534197_100015343762 [0,2,0,0,0,0|1,0,0]=3 6164 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 1626a_100011534197_100015343762 [0,2,0,0,0,0|1,0,0]=3 6165 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 22a_100011534197_100000070787 [0,2,0,0,0,0|1,0,0]=3 6166 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 527a_100011534197_100103153847 [0,2,0,0,0,0|1,0,0]=3 6167 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)[N+](=O)[O-] 11a_100000693983_100015343762 [0,2,0,0,0,0|2,0,0]=4 6168 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)[N+](=O)[O-] 527a_100000693983_100103153847 [0,2,0,0,0,0|2,0,0]=4 6169 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)C 1458a_100011218334_200000210301 [0,2,0,0,0,0|1,0,0]=3 6170 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)N 11a_200000751758_100015343762 [0,2,0,0,0,0|2,0,0]=4 6171 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)N 1626a_200000751758_100015343762 [0,2,0,0,0,0|2,0,0]=4 6172 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)N 22a_200000751758_100000070787 [0,2,0,0,0,0|2,0,0]=4 6173 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)N 527a_200000751758_100103153847 [0,2,0,0,0,0|2,0,0]=4 6174 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100011218334_200025704644 [0,2,0,0,0,0|1,0,0]=3 6175 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 11a_100000005830_100015343762 [0,2,0,0,0,0|1,0,0]=3 6176 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 1626a_100000005830_100015343762 [0,2,0,0,0,0|1,0,0]=3 6177 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 22a_100000005830_100000070787 [0,2,0,0,0,0|1,0,0]=3 6178 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 527a_100000005830_100103153847 [0,2,0,0,0,0|1,0,0]=3 6179 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 11a_100000738307_100015343762 [0,2,0,0,0,0|1,0,0]=3 6180 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 1626a_100000738307_100015343762 [0,2,0,0,0,0|1,0,0]=3 6181 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 22a_100000738307_100000070787 [0,2,0,0,0,0|1,0,0]=3 6182 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 527a_100000738307_100103153847 [0,2,0,0,0,0|1,0,0]=3 6183 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)[N+](=O)[O-] 11a_100000745639_100015343762 [0,2,0,0,0,0|2,0,0]=4 6184 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)[N+](=O)[O-] 22a_100000745639_100000070787 [0,2,0,0,0,0|2,0,0]=4 6185 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)[N+](=O)[O-] 527a_100000745639_100103153847 [0,2,0,0,0,0|2,0,0]=4 6186 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=O)C 1458a_100000690302_200000210301 [0,2,0,0,0,0|1,0,0]=3 6187 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=O)N 11a_100000737725_100015343762 [0,2,0,0,0,0|2,0,0]=4 6188 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=O)N 1626a_100000737725_100015343762 [0,2,0,0,0,0|2,0,0]=4 6189 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=O)N 22a_100000737725_100000070787 [0,2,0,0,0,0|2,0,0]=4 6190 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000690302_200025704644 [0,2,0,0,0,0|1,0,0]=3 6191 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=S)N 1626a_200011780103_100015343762 [0,2,0,0,0,0|2,0,0]=4 6192 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 11a_100000742791_100015343762 [0,2,0,0,0,0|1,0,0]=3 6193 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 1626a_100000742791_100015343762 [0,2,0,0,0,0|1,0,0]=3 6194 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 22a_100000742791_100000070787 [0,2,0,0,0,0|1,0,0]=3 6195 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 527a_100000742791_100103153847 [0,2,0,0,0,0|1,0,0]=3 6196 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)[N+](=O)[O-] 11a_100000750973_100015343762 [0,2,0,0,0,0|2,0,0]=4 6197 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)[N+](=O)[O-] 1626a_100000750973_100015343762 [0,2,0,0,0,0|2,0,0]=4 6198 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)C(=O)C 1458a_100012179589_200000210301 [0,2,0,0,0,0|1,0,0]=3 6199 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)C(=O)N 11a_100000749959_100015343762 [0,2,0,0,0,0|2,0,0]=4 6200 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)C(=O)N 1626a_100000749959_100015343762 [0,2,0,0,0,0|2,0,0]=4 6201 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)C(=O)N 527a_100000749959_100103153847 [0,2,0,0,0,0|2,0,0]=4 6202 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100012179589_200025704644 [0,2,0,0,0,0|1,0,0]=3 6203 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 11a_100011248830_100015343762 [0,2,0,0,0,0|1,0,0]=3 6204 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 1626a_100011248830_100015343762 [0,2,0,0,0,0|1,0,0]=3 6205 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 22a_100011248830_100000070787 [0,2,0,0,0,0|1,0,0]=3 6206 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 527a_100011248830_100103153847 [0,2,0,0,0,0|1,0,0]=3 6207 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)[N+](=O)[O-] 11a_100000741728_100015343762 [0,2,0,0,0,0|2,0,0]=4 6208 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)[N+](=O)[O-] 1626a_100000741728_100015343762 [0,2,0,0,0,0|2,0,0]=4 6209 B14R1.5801 CC(=O)Nc1ccc(c(c1)O)C(=O)C 1458a_100011194132_200000210301 [0,2,0,0,0,0|1,0,0]=3 6210 B14R1.5801 CC(=O)Nc1ccc(c(c1)O)C(=O)N 527a_100000223280_100103153847 [0,2,0,0,0,0|2,0,0]=4 6211 B14R1.5801 CC(=O)Nc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100011194132_200025704644 [0,2,0,0,0,0|1,0,0]=3 6212 B14R1.12535 C=Cc1c(cc(cc1C)NC(=O)C)C 271570a_100011290941_200012340666 [0,2,0,0,0,0|1,0,1]=4 6213 B14R1.12535 C=Cc1c(cc(cc1Cl)NC(=O)C)Cl 271570a_100011290941_106256037338 [0,2,0,0,0,0|1,0,1]=4 6214 B14R1.12535 CC(=O)Cc1cc(c(c(c1)C)O[13CH3])C 34a_200000080086_200025704644 [0,2,0,0,0,0|1,0,0]=3 6215 B14R1.12535 CC(=O)Cc1cc(c(c(c1)C)O[13CH3])C 7a_200000080086_200025704644 [0,2,0,0,0,0|1,0,0]=3 6216 B14R1.12535 CC(=O)Nc1cc(c(c(c1)C)C#N)C 11a_100000117420_100015343762 [0,2,0,0,0,0|2,0,0]=4 6217 B14R1.12535 CC(=O)Nc1cc(c(c(c1)C)C#N)C 1626a_100000117420_100015343762 [0,2,0,0,0,0|2,0,0]=4 6218 B14R1.12535 CC(=O)Nc1cc(c(c(c1)C)C#N)C 22a_100000117420_100000070787 [0,2,0,0,0,0|2,0,0]=4 6219 B14R1.12535 CC(=O)Nc1cc(c(c(c1)C)S[13CH3])C 62a_200025704644_200012340666 [0,2,0,0,0,0|0,1,0]=3 6220 B14R1.12535 CC(=O)Nc1cc(c(c(c1)Cl)S[13CH3])Cl 62a_200025704644_106256037338 [0,2,0,0,0,0|0,1,0]=3 6221 B14R1.12535 CC(=O)Nc1cc(c(c(c1)F)C#N)F 11a_200000080063_100015343762 [0,2,0,0,0,0|2,0,0]=4 6222 B14R1.12535 CC(=O)Nc1cc(c(c(c1)F)C#N)F 1626a_200000080063_100015343762 [0,2,0,0,0,0|2,0,0]=4 6223 B14R1.12535 CC(=O)Nc1cc(c(c(c1)F)S[13CH3])F 62a_200009813856_200025704644 [0,2,0,0,0,0|0,1,0]=3 6224 B14R1.12535 CC(=O)Nc1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_200009813856 [0,2,0,0,0,0|0,1,0]=3 6225 B14R1.12535 COc1c(cc(cc1Br)C=C(C)C)C 271570a_100102525489_100010997178 [0,2,0,0,0,0|2,0,0]=4 6226 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)Br 11a_100011274243_100015343762 [0,2,0,0,0,0|0,0,0]=2 6227 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)Br 1626a_100011274243_100015343762 [0,2,0,0,0,0|0,0,0]=2 6228 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)Br 22a_100011274243_100000070787 [0,2,0,0,0,0|0,0,0]=2 6229 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)Br 527a_100011274243_100103153847 [0,2,0,0,0,0|0,0,0]=2 6230 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)C 11a_100010071304_100015343762 [0,2,0,0,0,0|0,0,0]=2 6231 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)C 1626a_100010071304_100015343762 [0,2,0,0,0,0|0,0,0]=2 6232 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)C 22a_100010071304_100000070787 [0,2,0,0,0,0|0,0,0]=2 6233 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)C 527a_100010071304_100103153847 [0,2,0,0,0,0|0,0,0]=2 6234 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)F 11a_200009816006_100015343762 [0,2,0,0,0,0|0,0,0]=2 6235 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)F 1626a_200009816006_100015343762 [0,2,0,0,0,0|0,0,0]=2 6236 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)F 22a_200009816006_100000070787 [0,2,0,0,0,0|0,0,0]=2 6237 B14R1.12535 COc1c(cc(cc1Br)NC(=O)C)F 527a_200009816006_100103153847 [0,2,0,0,0,0|0,0,0]=2 6238 B14R1.12535 COc1c(cc(cc1Br)NC(C)C)Br 34a_100011274243_100000210206 [0,2,0,0,0,0|1,0,1]=4 6239 B14R1.12535 COc1c(cc(cc1Br)NC(C)C)C 34a_100010071304_100000210206 [0,2,0,0,0,0|1,0,1]=4 6240 B14R1.12535 COc1c(cc(cc1Br)NC(C)C)C 7a_100010071304_100000210206 [0,2,0,0,0,0|1,0,1]=4 6241 B14R1.12535 COc1c(cc(cc1Br)NC(C)C)F 34a_200009816006_100000210206 [0,2,0,0,0,0|1,0,1]=4 6242 B14R1.12535 COc1c(cc(cc1C)C=C(C)C)C 271570a_100102525489_100000211903 [0,2,0,0,0,0|2,0,0]=4 6243 B14R1.12535 COc1c(cc(cc1C)CC(=O)C)C 34a_200000080086_200000210301 [0,2,0,0,0,0|1,0,0]=3 6244 B14R1.12535 COc1c(cc(cc1C)CC(=O)C)C 7a_200000080086_200000210301 [0,2,0,0,0,0|1,0,0]=3 6245 B14R1.12535 COc1c(cc(cc1C)NC(=O)C)C 11a_100000187574_100015343762 [0,2,0,0,0,0|0,0,0]=2 6246 B14R1.12535 COc1c(cc(cc1C)NC(=O)C)C 1626a_100000187574_100015343762 [0,2,0,0,0,0|0,0,0]=2 6247 B14R1.12535 COc1c(cc(cc1C)NC(=O)C)C 22a_100000187574_100000070787 [0,2,0,0,0,0|0,0,0]=2 6248 B14R1.12535 COc1c(cc(cc1C)NC(=O)C)C 527a_100000187574_100103153847 [0,2,0,0,0,0|0,0,0]=2 6249 B14R1.12535 COc1c(cc(cc1C)NC(C)C)C 2230a_100000187574_100000210206 [0,2,0,0,0,0|1,0,1]=4 6250 B14R1.12535 COc1c(cc(cc1C)NC(C)C)C 34a_100000187574_100000210206 [0,2,0,0,0,0|1,0,1]=4 6251 B14R1.12535 COc1c(cc(cc1C)NC(C)C)C 7a_100000187574_100000210206 [0,2,0,0,0,0|1,0,1]=4 6252 B14R1.12535 COc1c(cc(cc1Cl)C=C(C)C)Cl 271570a_100102525489_200010110313 [0,2,0,0,0,0|2,0,0]=4 6253 B14R1.12535 COc1c(cc(cc1Cl)CC(=O)C)F 1458a_100000070787_100009815999 [0,2,0,0,0,0|1,0,0]=3 6254 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)Cl 11a_100000749172_100015343762 [0,2,0,0,0,0|0,0,0]=2 6255 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)Cl 1626a_100000749172_100015343762 [0,2,0,0,0,0|0,0,0]=2 6256 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)Cl 22a_100000749172_100000070787 [0,2,0,0,0,0|0,0,0]=2 6257 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)Cl 527a_100000749172_100103153847 [0,2,0,0,0,0|0,0,0]=2 6258 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)F 11a_200000094053_100015343762 [0,2,0,0,0,0|0,0,0]=2 6259 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)F 1626a_200000094053_100015343762 [0,2,0,0,0,0|0,0,0]=2 6260 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)F 22a_200000094053_100000070787 [0,2,0,0,0,0|0,0,0]=2 6261 B14R1.12535 COc1c(cc(cc1Cl)NC(=O)C)F 527a_200000094053_100103153847 [0,2,0,0,0,0|0,0,0]=2 6262 B14R1.12535 COc1c(cc(cc1Cl)NC(C)C)Cl 34a_100000749172_100000210206 [0,2,0,0,0,0|1,0,1]=4 6263 B14R1.12535 COc1c(cc(cc1Cl)NC(C)C)Cl 7a_100000749172_100000210206 [0,2,0,0,0,0|1,0,1]=4 6264 B14R1.12535 COc1c(cc(cc1Cl)NC(C)C)F 34a_200000094053_100000210206 [0,2,0,0,0,0|1,0,1]=4 6265 B14R1.12535 COc1c(cc(cc1Cl)NC(C)C)F 7a_200000094053_100000210206 [0,2,0,0,0,0|1,0,1]=4 6266 B14R1.12535 COc1c(cc(cc1F)C=C(C)C)F 271570a_100102525489_100009813559 [0,2,0,0,0,0|2,0,0]=4 6267 B14R1.12535 COc1c(cc(cc1F)C=C(C)C)N 271570a_100102525489_200010245146 [0,2,0,0,0,0|2,0,0]=4 6268 B14R1.12535 COc1c(cc(cc1F)CC(=O)C)F 1458a_100000062059_200000210301 [0,2,0,0,0,0|1,0,0]=3 6269 B14R1.12535 COc1c(cc(cc1F)CC(=O)C)F 1458a_100000070787_100011830405 [0,2,0,0,0,0|1,0,0]=3 6270 B14R1.12535 COc1c(cc(cc1F)CC(=O)[13CH3])F 1458a_100000062059_200025704644 [0,2,0,0,0,0|1,0,0]=3 6271 B14R1.12535 COc1c(cc(cc1F)NC(=O)C)F 11a_100000742718_100015343762 [0,2,0,0,0,0|0,0,0]=2 6272 B14R1.12535 COc1c(cc(cc1F)NC(=O)C)F 1626a_100000742718_100015343762 [0,2,0,0,0,0|0,0,0]=2 6273 B14R1.12535 COc1c(cc(cc1F)NC(=O)C)F 22a_100000742718_100000070787 [0,2,0,0,0,0|0,0,0]=2 6274 B14R1.12535 COc1c(cc(cc1F)NC(=O)C)F 527a_100000742718_100103153847 [0,2,0,0,0,0|0,0,0]=2 6275 B14R1.12535 COc1c(cc(cc1F)NC(C)C)F 34a_100000742718_100000210206 [0,2,0,0,0,0|1,0,1]=4 6276 B14R1.12535 COc1c(cc(cc1F)NC(C)C)F 7a_100000742718_100000210206 [0,2,0,0,0,0|1,0,1]=4 6277 B14R1.12535 CSc1c(cc(cc1C)NC(=O)C)C 62a_200000210301_200012340666 [0,2,0,0,0,0|0,1,0]=3 6278 B14R1.12535 CSc1c(cc(cc1Cl)NC(=O)C)Cl 62a_200000210301_106256037338 [0,2,0,0,0,0|0,1,0]=3 6279 B14R1.12535 CSc1c(cc(cc1F)NC(=O)C)F 62a_200000210301_200009813856 [0,2,0,0,0,0|0,1,0]=3 6280 B14R1.12535 CSc1c(cc(cc1F)NC(=O)C)F 62a_200009813856_200000210301 [0,2,0,0,0,0|0,1,0]=3 6281 B14R1.8 CCC(C(=O)C)c1ccc(cc1)OC 1458a_200000687490_200000210301 [0,2,0,0,0,0|1,0,0]=3 6282 B14R1.8 CCC(C(=O)[13CH3])c1ccc(cc1)OC 1458a_200000687490_200025704644 [0,2,0,0,0,0|1,0,0]=3 6283 B14R1.8 CCN(C(=O)C)c1ccc(cc1)C#N 11a_100000218877_100015343762 [0,2,0,0,0,0|2,0,0]=4 6284 B14R1.8 CCN(C(=O)C)c1ccc(cc1)C#N 1626a_100000218877_100015343762 [0,2,0,0,0,0|2,0,0]=4 6285 B14R1.8 CCN(c1ccc(cc1)OC)C(C)C 2230a_100000220024_100000210202 [0,2,0,0,0,0|1,0,1]=4 6286 B14R1.8 CCN(c1ccc(cc1)OC)C(C)C 269982a_100000220024_100000204670 [0,2,0,0,0,0|1,0,1]=4 6287 B14R1.8 CCN(c1ccc(cc1)OC)C(C)C 34a_100000220024_100000210202 [0,2,0,0,0,0|1,0,1]=4 6288 B14R1.8 CNC(C(=O)O)c1ccc(cc1)OC 269956a_100000181765_200000210301 [0,2,0,0,0,0|2,0,0]=4 6289 B14R1.8 COc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100000181765_200025704644 [0,2,0,0,0,0|2,0,0]=4 6290 B14R1.8 COc1ccc(cc1)N(CF)C(C)C 269982a_100000220024_100015361967 [0,2,0,0,0,0|1,0,1]=4 6291 B14R1.8 COc1ccc(cc1)N(CF)C(C)C 34a_100000220024_100015361967 [0,2,0,0,0,0|1,0,1]=4 6292 B14R1.102 CC(=O)N(C)c1ccc(cc1I)C#N 1626a_200020994358_100015343762 [0,2,0,0,0,0|2,0,0]=4 6293 B14R1.102 COc1ccc(c(c1)Br)C(=C(C)C)C 271570a_200000049429_100012349170 [0,2,0,0,0,0|2,0,0]=4 6294 B14R1.102 COc1ccc(c(c1)C)C(=C(C)C)C 271570a_200000049429_100000759875 [0,2,0,0,0,0|2,0,0]=4 6295 B14R1.102 COc1ccc(c(c1)C)N(C)C(=O)C 11a_103496583619_100015343762 [0,2,0,0,0,0|0,0,0]=2 6296 B14R1.102 COc1ccc(c(c1)C)N(C)C(=O)C 1626a_103496583619_100015343762 [0,2,0,0,0,0|0,0,0]=2 6297 B14R1.102 COc1ccc(c(c1)C)N(C)C(=O)C 22a_103496583619_100000070787 [0,2,0,0,0,0|0,0,0]=2 6298 B14R1.102 COc1ccc(c(c1)C)N(C)C(=O)C 527a_103496583619_100103153847 [0,2,0,0,0,0|0,0,0]=2 6299 B14R1.102 COc1ccc(c(c1)C)N(C)C(C)C 2230a_103496583619_100000210206 [0,2,0,0,0,0|1,0,1]=4 6300 B14R1.102 COc1ccc(c(c1)C)N(C)C(C)C 269982a_103496583619_100000210206 [0,2,0,0,0,0|1,0,1]=4 6301 B14R1.102 COc1ccc(c(c1)C)N(C)C(C)C 34a_103496583619_100000210206 [0,2,0,0,0,0|1,0,1]=4 6302 B14R1.102 COc1ccc(c(c1)C)N(C)C(C)C 38a_103496583619_100000210206 [0,2,0,0,0,0|1,0,1]=4 6303 B14R1.102 COc1ccc(c(c1)F)C(=C(C)C)C 271570a_200000049429_100000753793 [0,2,0,0,0,0|2,0,0]=4 6304 B14R1.102 COc1ccc(c(c1)N)C(=C(C)C)C 271570a_200000049429_100000748021 [0,2,0,0,0,0|2,0,0]=4 6305 B14R1.102 COc1ccc(c(c1)O)C(=C(C)C)C 271570a_200000049429_100000719091 [0,2,0,0,0,0|2,0,0]=4 6306 B14R1.141 C=C=Cc1ccc(cc1)N(C)C(=O)C 271570a_100015277604_200009816415 [0,2,0,0,0,0|1,0,1]=4 6307 B14R1.141 CC(=O)N(C)c1ccc(cc1)NCF 34a_100000229935_100015361967 [0,2,0,0,0,0|1,0,0]=3 6308 B14R1.141 CC(=O)N(C)c1ccc(cc1)OCF 34a_100000743460_100015361967 [0,2,0,0,0,0|0,0,0]=2 6309 B14R1.141 CC(=O)N(C)c1ccc(cc1)SCF 62a_200009816415_100015361967 [0,2,0,0,0,0|0,1,0]=3 6310 B14R1.141 CC=Cc1ccc(cc1)N(C)C(=O)C 271570a_100016259895_200009816415 [0,2,0,0,0,0|1,0,0]=3 6311 B14R1.141 CCNc1ccc(cc1)N(C)C(=O)C 34a_100000229935_100000210202 [0,2,0,0,0,0|1,0,0]=3 6312 B14R1.141 CCOc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000169946 [0,2,0,0,0,0|2,0,0]=4 6313 B14R1.141 CCOc1ccc(cc1)N(C)C(=O)C 11a_100025784348_100015343762 [0,2,0,0,0,0|0,0,0]=2 6314 B14R1.141 CCOc1ccc(cc1)N(C)C(=O)C 1626a_100025784348_100015343762 [0,2,0,0,0,0|0,0,0]=2 6315 B14R1.141 CCOc1ccc(cc1)N(C)C(=O)C 22a_100025784348_100000070787 [0,2,0,0,0,0|0,0,0]=2 6316 B14R1.141 CCOc1ccc(cc1)N(C)C(=O)C 34a_100000743460_100000210202 [0,2,0,0,0,0|0,0,0]=2 6317 B14R1.141 CCOc1ccc(cc1)N(C)C(=O)C 527a_100025784348_100103153847 [0,2,0,0,0,0|0,0,0]=2 6318 B14R1.141 CCOc1ccc(cc1)N(C)C(C)C 2230a_100025784348_100000210206 [0,2,0,0,0,0|1,0,1]=4 6319 B14R1.141 CCOc1ccc(cc1)N(C)C(C)C 269982a_100025784348_100000210206 [0,2,0,0,0,0|1,0,1]=4 6320 B14R1.141 CCOc1ccc(cc1)N(C)C(C)C 34a_100025784348_100000210206 [0,2,0,0,0,0|1,0,1]=4 6321 B14R1.141 CCSc1ccc(cc1)N(C)C(=O)C 62a_200009816415_100000210202 [0,2,0,0,0,0|0,1,0]=3 6322 B14R1.141 COCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011493685 [0,2,0,0,0,0|2,0,0]=4 6323 B14R1.213 CCc1ccc(cc1)C(C)(C)C(=O)C 1458a_100000685079_200000210301 [0,2,0,0,0,0|2,0,0]=4 6324 B14R1.213 CCc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000685079_200025704644 [0,2,0,0,0,0|2,0,0]=4 6325 B14R1.213 COc1ccc(cc1)C(C)(C)C(=O)C 1458a_100000689946_200000210301 [0,2,0,0,0,0|1,0,0]=3 6326 B14R1.213 COc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000689946_200025704644 [0,2,0,0,0,0|1,0,0]=3 6327 B14R1.213 COc1ccc(cc1)C(C)(O)C(=O)C 1458a_200011434898_200000210301 [0,2,0,0,0,0|1,0,0]=3 6328 B14R1.213 COc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_200011434898_200025704644 [0,2,0,0,0,0|1,0,0]=3 6329 B14R1.6402 C=C(C)c1ccc(cc1)N(C)C(=O)C 271570a_100000694244_200009816415 [0,2,0,0,0,0|1,0,0]=3 6330 B14R1.6402 CC(=O)C(C)c1ccc(cc1)C(C)C 1458a_100000070787_200000700246 [0,2,0,0,0,0|2,0,0]=4 6331 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 11a_100000688768_100015343762 [0,2,0,0,0,0|1,0,0]=3 6332 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 1626a_100000688768_100015343762 [0,2,0,0,0,0|1,0,0]=3 6333 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 22a_100000688768_100000070787 [0,2,0,0,0,0|1,0,0]=3 6334 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 527a_100000688768_100103153847 [0,2,0,0,0,0|1,0,0]=3 6335 B14R1.6402 CC(=O)N(C)c1ccc(cc1)[N+](=O)[O-] 11a_100000156523_100015343762 [0,2,0,0,0,0|2,0,0]=4 6336 B14R1.68 C#CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000184674 [0,2,0,0,0,0|1,0,0]=3 6337 B14R1.68 C#CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000184674 [0,2,0,0,0,0|1,0,0]=3 6338 B14R1.68 C#CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000038162 [0,2,0,0,0,0|1,0,0]=3 6339 B14R1.68 C#CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000184674 [0,2,0,0,0,0|2,0,0]=4 6340 B14R1.68 C#CCOc1ccc(cc1)NC(=O)C 11a_100000753246_100015343762 [0,2,0,0,0,0|0,0,0]=2 6341 B14R1.68 C#CCOc1ccc(cc1)NC(=O)C 1626a_100000753246_100015343762 [0,2,0,0,0,0|0,0,0]=2 6342 B14R1.68 C#CCOc1ccc(cc1)NC(=O)C 22a_100000753246_100000070787 [0,2,0,0,0,0|0,0,0]=2 6343 B14R1.68 C#CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000184674 [0,2,0,0,0,0|0,0,0]=2 6344 B14R1.68 C#CCOc1ccc(cc1)NC(=O)C 527a_100000753246_100103153847 [0,2,0,0,0,0|0,0,0]=2 6345 B14R1.68 C#CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000038162 [0,2,0,0,0,0|0,0,0]=2 6346 B14R1.68 C#CCOc1ccc(cc1)NC(C)C 2230a_100000753246_100000210206 [0,2,0,0,0,0|1,0,1]=4 6347 B14R1.68 C#CCOc1ccc(cc1)NC(C)C 34a_100000753246_100000210206 [0,2,0,0,0,0|1,0,1]=4 6348 B14R1.68 C#CCOc1ccc(nc1)NC(=O)C 34a_200000094647_100000184674 [0,2,0,0,0,0|1,0,0]=3 6349 B14R1.68 C#CCOc1ccc(nc1)NC(=O)C 7a_200000094647_100000038162 [0,2,0,0,0,0|1,0,0]=3 6350 B14R1.68 C#CCSc1ccc(cc1)CC(=O)C 62a_100000038162_100000691760 [0,2,0,0,0,0|1,1,0]=4 6351 B14R1.68 C#CCSc1ccc(cc1)NC(=O)C 62a_100000038162_100000155215 [0,2,0,0,0,0|0,1,0]=3 6352 B14R1.68 C#CCSc1ccc(cc1)NC(=O)N 62a_100000038162_100000198584 [0,2,0,0,0,0|1,1,0]=4 6353 B14R1.68 C#CCSc1ccc(cc1)OC(=O)C 62a_100000038162_100000002173 [0,2,0,0,0,0|1,1,0]=4 6354 B14R1.68 C#CCSc1ccc(cn1)NC(=O)C 62a_100000038162_100011934715 [0,2,0,0,0,0|1,1,0]=4 6355 B14R1.68 C#CCSc1ccc(nc1)NC(=O)C 62a_100000038162_100000193312 [0,2,0,0,0,0|1,1,0]=4 6356 B14R1.68 C=CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100015514636 [0,2,0,0,0,0|1,0,0]=3 6357 B14R1.68 C=CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000172055 [0,2,0,0,0,0|2,0,0]=4 6358 B14R1.68 C=CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100015514636 [0,2,0,0,0,0|1,0,0]=3 6359 B14R1.68 C=CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100015514636 [0,2,0,0,0,0|1,0,0]=3 6360 B14R1.68 C=CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100015514636 [0,2,0,0,0,0|2,0,0]=4 6361 B14R1.68 C=CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100015514636 [0,2,0,0,0,0|0,0,0]=2 6362 B14R1.68 C=CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100015514636 [0,2,0,0,0,0|0,0,0]=2 6363 B14R1.68 C=CCOc1ccc(nc1)NC(=O)C 34a_200000094647_100015514636 [0,2,0,0,0,0|1,0,0]=3 6364 B14R1.68 C=CCOc1ccc(nc1)NC(=O)C 7a_200000094647_100015514636 [0,2,0,0,0,0|1,0,0]=3 6365 B14R1.68 C=CCSc1ccc(cc1)CC(=O)C 62a_100000210623_100000691760 [0,2,0,0,0,0|1,1,0]=4 6366 B14R1.68 C=CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210623 [0,2,0,0,0,0|1,1,0]=4 6367 B14R1.68 C=CCSc1ccc(cc1)NC(=O)C 62a_100000210623_100000155215 [0,2,0,0,0,0|0,1,0]=3 6368 B14R1.68 C=CCSc1ccc(cc1)NC(=O)N 62a_100000210623_100000198584 [0,2,0,0,0,0|1,1,0]=4 6369 B14R1.68 C=CCSc1ccc(cc1)OC(=O)C 62a_100000210623_100000002173 [0,2,0,0,0,0|1,1,0]=4 6370 B14R1.68 C=CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210623 [0,2,0,0,0,0|1,1,0]=4 6371 B14R1.68 C=CCSc1ccc(cn1)NC(=O)C 62a_100000210623_100011934715 [0,2,0,0,0,0|1,1,0]=4 6372 B14R1.68 C=CCSc1ccc(nc1)NC(=O)C 62a_100000210623_100000193312 [0,2,0,0,0,0|1,1,0]=4 6373 B14R1.68 CC(=Cc1ccc(cc1)OCC#N)C 271570a_100102525489_200000169425 [0,2,0,0,0,0|2,0,0]=4 6374 B14R1.68 CC(=Cc1ccc(cc1)OCCF)C 271570a_100102525489_100012347556 [0,2,0,0,0,0|2,0,0]=4 6375 B14R1.68 CC(=Cc1ccc(cc1)OCCN)C 271570a_100102525489_100000746992 [0,2,0,0,0,0|2,0,0]=4 6376 B14R1.68 CC(=Cc1ccc(cc1)OCCO)C 271570a_100102525489_100000686261 [0,2,0,0,0,0|2,0,0]=4 6377 B14R1.68 CC(=O)Cc1ccc(cc1)OCC#N 7a_100011218180_100011215382 [0,2,0,0,0,0|1,0,0]=3 6378 B14R1.68 CC(=O)Cc1ccc(cc1)OCC=O 34a_100011218180_200009817547 [0,2,0,0,0,0|1,0,0]=3 6379 B14R1.68 CC(=O)Cc1ccc(cc1)OCC=O 7a_100011218180_200015260668 [0,2,0,0,0,0|1,0,0]=3 6380 B14R1.68 CC(=O)Cc1ccc(cc1)OCCF 34a_100011218180_100011217306 [0,2,0,0,0,0|1,0,0]=3 6381 B14R1.68 CC(=O)Cc1ccc(cc1)OCCF 7a_100011218180_100011217306 [0,2,0,0,0,0|1,0,0]=3 6382 B14R1.68 CC(=O)Cc1ccc(cc1)OCCO 34a_100011218180_100000211926 [0,2,0,0,0,0|1,0,0]=3 6383 B14R1.68 CC(=O)Cc1ccc(cc1)OCCO 7a_100011218180_100000211926 [0,2,0,0,0,0|1,0,0]=3 6384 B14R1.68 CC(=O)Cc1ccc(cc1)SCC#N 62a_100000691760_100011215382 [0,2,0,0,0,0|1,1,0]=4 6385 B14R1.68 CC(=O)Cc1ccc(cc1)SCC#N 62a_100011215382_100000691760 [0,2,0,0,0,0|1,1,0]=4 6386 B14R1.68 CC(=O)Cc1ccc(cc1)SCC=O 62a_100000691760_200015260668 [0,2,0,0,0,0|1,1,0]=4 6387 B14R1.68 CC(=O)Cc1ccc(cc1)SCC=O 62a_200015260668_100000691760 [0,2,0,0,0,0|1,1,0]=4 6388 B14R1.68 CC(=O)Cc1ccc(cc1)SCCF 62a_100000691760_100011217306 [0,2,0,0,0,0|1,1,0]=4 6389 B14R1.68 CC(=O)Cc1ccc(cc1)SCCF 62a_100011217306_100000691760 [0,2,0,0,0,0|1,1,0]=4 6390 B14R1.68 CC(=O)Cc1ccc(cc1)SCCO 62a_100000211926_100000691760 [0,2,0,0,0,0|1,1,0]=4 6391 B14R1.68 CC(=O)Cc1ccc(cc1)SCCO 62a_100000691760_100000211926 [0,2,0,0,0,0|1,1,0]=4 6392 B14R1.68 CC(=O)Nc1ccc(cc1)CCO[13CH3] 34a_100000752260_200025704644 [0,2,0,0,0,0|0,0,0]=2 6393 B14R1.68 CC(=O)Nc1ccc(cc1)CCO[13CH3] 7a_100000752260_200025704644 [0,2,0,0,0,0|0,0,0]=2 6394 B14R1.68 CC(=O)Nc1ccc(cc1)CNCF 34a_100000735448_100015361967 [0,2,0,0,0,0|1,0,0]=3 6395 B14R1.68 CC(=O)Nc1ccc(cc1)COCF 34a_100000246270_100015361967 [0,2,0,0,0,0|0,0,0]=2 6396 B14R1.68 CC(=O)Nc1ccc(cc1)COCF 7a_100000246270_100015361967 [0,2,0,0,0,0|0,0,0]=2 6397 B14R1.68 CC(=O)Nc1ccc(cc1)CSCF 62a_100015361967_100000731167 [0,2,0,0,0,0|0,1,0]=3 6398 B14R1.68 CC(=O)Nc1ccc(cc1)NCC=O 34a_100000184111_200009817547 [0,2,0,0,0,0|1,0,0]=3 6399 B14R1.68 CC(=O)Nc1ccc(cc1)NCCF 34a_100000184111_100011217306 [0,2,0,0,0,0|1,0,0]=3 6400 B14R1.68 CC(=O)Nc1ccc(cc1)NCCO 34a_100000184111_100000211926 [0,2,0,0,0,0|1,0,0]=3 6401 B14R1.68 CC(=O)Nc1ccc(cc1)OCC#N 7a_100000184395_100011215382 [0,2,0,0,0,0|0,0,0]=2 6402 B14R1.68 CC(=O)Nc1ccc(cc1)OCC=O 34a_100000184395_200009817547 [0,2,0,0,0,0|0,0,0]=2 6403 B14R1.68 CC(=O)Nc1ccc(cc1)OCC=O 7a_100000184395_200015260668 [0,2,0,0,0,0|0,0,0]=2 6404 B14R1.68 CC(=O)Nc1ccc(cc1)OCCF 11a_100012282086_100015343762 [0,2,0,0,0,0|0,0,0]=2 6405 B14R1.68 CC(=O)Nc1ccc(cc1)OCCF 1626a_100012282086_100015343762 [0,2,0,0,0,0|0,0,0]=2 6406 B14R1.68 CC(=O)Nc1ccc(cc1)OCCF 22a_100012282086_100000070787 [0,2,0,0,0,0|0,0,0]=2 6407 B14R1.68 CC(=O)Nc1ccc(cc1)OCCF 34a_100000184395_100011217306 [0,2,0,0,0,0|0,0,0]=2 6408 B14R1.68 CC(=O)Nc1ccc(cc1)OCCF 527a_100012282086_100103153847 [0,2,0,0,0,0|0,0,0]=2 6409 B14R1.68 CC(=O)Nc1ccc(cc1)OCCF 7a_100000184395_100011217306 [0,2,0,0,0,0|0,0,0]=2 6410 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 22a_100000754363_100000070787 [0,2,0,0,0,0|0,0,0]=2 6411 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 34a_100000184395_100000211926 [0,2,0,0,0,0|0,0,0]=2 6412 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 527a_100000754363_100103153847 [0,2,0,0,0,0|0,0,0]=2 6413 B14R1.68 CC(=O)Nc1ccc(cc1)OCCO 7a_100000184395_100000211926 [0,2,0,0,0,0|0,0,0]=2 6414 B14R1.68 CC(=O)Nc1ccc(cc1)SCC#N 62a_100011215382_100000155215 [0,2,0,0,0,0|0,1,0]=3 6415 B14R1.68 CC(=O)Nc1ccc(cc1)SCC=O 62a_200015260668_100000155215 [0,2,0,0,0,0|0,1,0]=3 6416 B14R1.68 CC(=O)Nc1ccc(cc1)SCCF 62a_100011217306_100000155215 [0,2,0,0,0,0|0,1,0]=3 6417 B14R1.68 CC(=O)Nc1ccc(cc1)SCCO 62a_100000211926_100000155215 [0,2,0,0,0,0|0,1,0]=3 6418 B14R1.68 CC(=O)Nc1ccc(cn1)OCC#N 7a_200000094647_100011215382 [0,2,0,0,0,0|1,0,0]=3 6419 B14R1.68 CC(=O)Nc1ccc(cn1)OCC=O 34a_200000094647_200009817547 [0,2,0,0,0,0|1,0,0]=3 6420 B14R1.68 CC(=O)Nc1ccc(cn1)OCC=O 7a_200000094647_200015260668 [0,2,0,0,0,0|1,0,0]=3 6421 B14R1.68 CC(=O)Nc1ccc(cn1)OCCF 34a_200000094647_100011217306 [0,2,0,0,0,0|1,0,0]=3 6422 B14R1.68 CC(=O)Nc1ccc(cn1)OCCF 7a_200000094647_100011217306 [0,2,0,0,0,0|1,0,0]=3 6423 B14R1.68 CC(=O)Nc1ccc(cn1)OCCO 34a_200000094647_100000211926 [0,2,0,0,0,0|1,0,0]=3 6424 B14R1.68 CC(=O)Nc1ccc(cn1)OCCO 7a_200000094647_100000211926 [0,2,0,0,0,0|1,0,0]=3 6425 B14R1.68 CC(=O)Nc1ccc(cn1)SCC#N 62a_100011215382_100000193312 [0,2,0,0,0,0|1,1,0]=4 6426 B14R1.68 CC(=O)Nc1ccc(cn1)SCC=O 62a_200015260668_100000193312 [0,2,0,0,0,0|1,1,0]=4 6427 B14R1.68 CC(=O)Nc1ccc(cn1)SCCF 62a_100011217306_100000193312 [0,2,0,0,0,0|1,1,0]=4 6428 B14R1.68 CC(=O)Nc1ccc(cn1)SCCO 62a_100000211926_100000193312 [0,2,0,0,0,0|1,1,0]=4 6429 B14R1.68 CC(=O)Nc1ccc(nc1)SCC#N 62a_100011215382_100011934715 [0,2,0,0,0,0|1,1,0]=4 6430 B14R1.68 CC(=O)Nc1ccc(nc1)SCC=O 62a_200015260668_100011934715 [0,2,0,0,0,0|1,1,0]=4 6431 B14R1.68 CC(=O)Nc1ccc(nc1)SCCF 62a_100011217306_100011934715 [0,2,0,0,0,0|1,1,0]=4 6432 B14R1.68 CC(=O)Nc1ccc(nc1)SCCO 62a_100000211926_100011934715 [0,2,0,0,0,0|1,1,0]=4 6433 B14R1.68 CC(=O)Oc1ccc(cc1)CSCF 62a_100015361967_100000033664 [0,2,0,0,0,0|1,1,0]=4 6434 B14R1.68 CC(=O)Oc1ccc(cc1)SCC#N 62a_100011215382_100000002173 [0,2,0,0,0,0|1,1,0]=4 6435 B14R1.68 CC(=O)Oc1ccc(cc1)SCC=O 62a_200015260668_100000002173 [0,2,0,0,0,0|1,1,0]=4 6436 B14R1.68 CC(=O)Oc1ccc(cc1)SCCF 62a_100011217306_100000002173 [0,2,0,0,0,0|1,1,0]=4 6437 B14R1.68 CC(=O)Oc1ccc(cc1)SCCO 62a_100000211926_100000002173 [0,2,0,0,0,0|1,1,0]=4 6438 B14R1.68 CC(=O)Sc1ccc(cc1)SCC#N 62a_200009995050_100011215382 [0,2,0,0,0,0|1,1,0]=4 6439 B14R1.68 CC(=O)Sc1ccc(cc1)SCC=O 62a_200009995050_200015260668 [0,2,0,0,0,0|1,1,0]=4 6440 B14R1.68 CC(=O)Sc1ccc(cc1)SCCF 62a_200009995050_100011217306 [0,2,0,0,0,0|1,1,0]=4 6441 B14R1.68 CC(=O)Sc1ccc(cc1)SCCO 62a_200009995050_100000211926 [0,2,0,0,0,0|1,1,0]=4 6442 B14R1.68 CC(C)Nc1ccc(cc1)OCCF 34a_100012282086_100000210206 [0,2,0,0,0,0|1,0,1]=4 6443 B14R1.68 CC(C)Nc1ccc(cc1)OCCO 2230a_100000754363_100000210206 [0,2,0,0,0,0|1,0,1]=4 6444 B14R1.68 CC(C)Nc1ccc(cc1)OCCO 34a_100000754363_100000210206 [0,2,0,0,0,0|1,0,1]=4 6445 B14R1.68 CCCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011934885 [0,2,0,0,0,0|2,0,0]=4 6446 B14R1.68 CCCCc1ccc(cc1)CC(=O)C 1458a_100000185461_200000210301 [0,2,0,0,0,0|2,0,0]=4 6447 B14R1.68 CCCCc1ccc(cc1)CC(=O)C 271570a_100020621405_100000691760 [0,2,0,0,0,0|2,0,0]=4 6448 B14R1.68 CCCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000185461_200025704644 [0,2,0,0,0,0|2,0,0]=4 6449 B14R1.68 CCCCc1ccc(cc1)NC(=O)C 11a_100000210628_100015343762 [0,2,0,0,0,0|1,0,0]=3 6450 B14R1.68 CCCCc1ccc(cc1)NC(=O)C 1626a_100000210628_100015343762 [0,2,0,0,0,0|1,0,0]=3 6451 B14R1.68 CCCCc1ccc(cc1)NC(=O)C 22a_100000210628_100000070787 [0,2,0,0,0,0|1,0,0]=3 6452 B14R1.68 CCCCc1ccc(cc1)NC(=O)C 271570a_100020621405_100000155215 [0,2,0,0,0,0|1,0,0]=3 6453 B14R1.68 CCCCc1ccc(cc1)NC(=O)C 527a_100000210628_100103153847 [0,2,0,0,0,0|1,0,0]=3 6454 B14R1.68 CCCCc1ccc(cc1)NC(=O)N 271570a_100020621405_100000198584 [0,2,0,0,0,0|2,0,0]=4 6455 B14R1.68 CCCCc1ccc(cc1)OC(=O)C 271570a_100020621405_100000002173 [0,2,0,0,0,0|2,0,0]=4 6456 B14R1.68 CCCCc1ccc(cc1)SC(=O)C 271570a_100020621405_200009995050 [0,2,0,0,0,0|2,0,0]=4 6457 B14R1.68 CCCCc1ccc(cn1)NC(=O)C 271570a_100020621405_100011934715 [0,2,0,0,0,0|2,0,0]=4 6458 B14R1.68 CCCCc1ccc(nc1)NC(=O)C 271570a_100020621405_100000193312 [0,2,0,0,0,0|2,0,0]=4 6459 B14R1.68 CCCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000210303 [0,2,0,0,0,0|1,0,0]=3 6460 B14R1.68 CCCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169948 [0,2,0,0,0,0|2,0,0]=4 6461 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 1458a_100000070787_100000691472 [0,2,0,0,0,0|1,0,0]=3 6462 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 1458a_200000230827_200000210301 [0,2,0,0,0,0|1,0,0]=3 6463 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210303 [0,2,0,0,0,0|1,0,0]=3 6464 B14R1.68 CCCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210303 [0,2,0,0,0,0|1,0,0]=3 6465 B14R1.68 CCCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210303 [0,2,0,0,0,0|2,0,0]=4 6466 B14R1.68 CCCOc1ccc(cc1)CC(=O)[13CH3] 1458a_200000230827_200025704644 [0,2,0,0,0,0|1,0,0]=3 6467 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 11a_100000748631_100015343762 [0,2,0,0,0,0|0,0,0]=2 6468 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 1626a_100000748631_100015343762 [0,2,0,0,0,0|0,0,0]=2 6469 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 22a_100000748631_100000070787 [0,2,0,0,0,0|0,0,0]=2 6470 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210303 [0,2,0,0,0,0|0,0,0]=2 6471 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 527a_100000748631_100103153847 [0,2,0,0,0,0|0,0,0]=2 6472 B14R1.68 CCCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210303 [0,2,0,0,0,0|0,0,0]=2 6473 B14R1.68 CCCOc1ccc(cc1)NC(C)C 34a_100000748631_100000210206 [0,2,0,0,0,0|1,0,1]=4 6474 B14R1.68 CCCOc1ccc(nc1)NC(=O)C 34a_200000094647_100000210303 [0,2,0,0,0,0|1,0,0]=3 6475 B14R1.68 CCCOc1ccc(nc1)NC(=O)C 7a_200000094647_100000210303 [0,2,0,0,0,0|1,0,0]=3 6476 B14R1.68 CCCSc1ccc(cc1)CC(=O)C 62a_100000210303_100000691760 [0,2,0,0,0,0|1,1,0]=4 6477 B14R1.68 CCCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210303 [0,2,0,0,0,0|1,1,0]=4 6478 B14R1.68 CCCSc1ccc(cc1)NC(=O)C 11a_100015183887_100015343762 [0,2,0,0,0,0|0,1,0]=3 6479 B14R1.68 CCCSc1ccc(cc1)NC(=O)C 22a_100015183887_100000070787 [0,2,0,0,0,0|0,1,0]=3 6480 B14R1.68 CCCSc1ccc(cc1)NC(=O)C 527a_100015183887_100103153847 [0,2,0,0,0,0|0,1,0]=3 6481 B14R1.68 CCCSc1ccc(cc1)NC(=O)C 62a_100000210303_100000155215 [0,2,0,0,0,0|0,1,0]=3 6482 B14R1.68 CCCSc1ccc(cc1)NC(=O)N 62a_100000210303_100000198584 [0,2,0,0,0,0|1,1,0]=4 6483 B14R1.68 CCCSc1ccc(cc1)OC(=O)C 62a_100000210303_100000002173 [0,2,0,0,0,0|1,1,0]=4 6484 B14R1.68 CCCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210303 [0,2,0,0,0,0|1,1,0]=4 6485 B14R1.68 CCCSc1ccc(cn1)NC(=O)C 62a_100000210303_100011934715 [0,2,0,0,0,0|1,1,0]=4 6486 B14R1.68 CCCSc1ccc(nc1)NC(=O)C 62a_100000210303_100000193312 [0,2,0,0,0,0|1,1,0]=4 6487 B14R1.68 CCNCc1ccc(cc1)NC(=O)C 207a_100015525214_100000210072 [0,2,0,0,0,0|1,0,0]=3 6488 B14R1.68 CCNCc1ccc(cc1)NC(=O)C 2230a_100015525214_100000731167 [0,2,0,0,0,0|1,0,0]=3 6489 B14R1.68 CCNCc1ccc(cc1)NC(=O)C 34a_100000735448_100000210202 [0,2,0,0,0,0|1,0,0]=3 6490 B14R1.68 CCNCc1ccc(cc1)OC(=O)C 207a_100015525214_100000014718 [0,2,0,0,0,0|2,0,0]=4 6491 B14R1.68 CCNCc1ccc(cc1)OC(=O)C 2230a_100015525214_100000033664 [0,2,0,0,0,0|2,0,0]=4 6492 B14R1.68 CCNCc1ccc(cc1)OC(=O)C 270004a_100015525214_100000014718 [0,2,0,0,0,0|2,0,0]=4 6493 B14R1.68 CCOCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000758564 [0,2,0,0,0,0|2,0,0]=4 6494 B14R1.68 CCOCc1ccc(cc1)NC(=O)C 34a_100000246270_100000210202 [0,2,0,0,0,0|0,0,0]=2 6495 B14R1.68 CCOCc1ccc(cc1)NC(=O)C 34a_100121572206_100000731167 [0,2,0,0,0,0|0,0,0]=2 6496 B14R1.68 CCOCc1ccc(cc1)NC(=O)C 7a_100000246270_100000210202 [0,2,0,0,0,0|0,0,0]=2 6497 B14R1.68 CCSCc1ccc(cc1)NC(=O)C 62a_100000210202_100000731167 [0,2,0,0,0,0|0,1,0]=3 6498 B14R1.68 CCSCc1ccc(cc1)OC(=O)C 62a_100000210202_100000033664 [0,2,0,0,0,0|1,1,0]=4 6499 B14R1.68 COC=Cc1ccc(cc1)C=C(C)C 271570a_100102525489_100020630460 [0,2,0,0,0,0|2,0,0]=4 6500 B14R1.68 COCCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000739703 [0,2,0,0,0,0|2,0,0]=4 6501 B14R1.68 COCCc1ccc(cc1)NC(=O)C 34a_100000752260_200000210301 [0,2,0,0,0,0|0,0,0]=2 6502 B14R1.68 COCCc1ccc(cc1)NC(=O)C 7a_100000752260_200000210301 [0,2,0,0,0,0|0,0,0]=2 6503 B14R1.68 COCNc1ccc(cc1)CC(=O)N 2230a_100000738315_100000766300 [0,2,0,0,0,0|2,0,0]=4 6504 B14R1.68 COCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100012265687 [0,2,0,0,0,0|2,0,0]=4 6505 B14R1.68 COCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000766300 [0,2,0,0,0,0|1,0,0]=3 6506 B14R1.68 COCSc1ccc(cc1)CC(=O)C 62a_100000766300_100000691760 [0,2,0,0,0,0|1,0,0]=3 6507 B14R1.68 COCSc1ccc(cc1)CC(=O)N 62a_100000162331_100000766300 [0,2,0,0,0,0|2,0,0]=4 6508 B14R1.68 COCSc1ccc(cc1)CC(=O)N 62a_100000766300_100000162331 [0,2,0,0,0,0|2,0,0]=4 6509 B14R1.68 COCSc1ccc(cc1)NC(=O)C 62a_100000766300_100000155215 [0,2,0,0,0,0|0,0,0]=2 6510 B14R1.68 COCSc1ccc(cc1)NC(=O)N 62a_100000766300_100000198584 [0,2,0,0,0,0|1,0,0]=3 6511 B14R1.68 COCSc1ccc(cc1)NC(C)C 62a_100000219625_100000766300 [0,2,0,0,0,0|1,0,1]=4 6512 B14R1.68 COCSc1ccc(cc1)NC(C)C 62a_100000766300_100000219625 [0,2,0,0,0,0|1,0,1]=4 6513 B14R1.68 COCSc1ccc(cc1)OC(=O)C 62a_100000766300_100000002173 [0,2,0,0,0,0|1,0,0]=3 6514 B14R1.68 COCSc1ccc(cc1)OC(=S)C 62a_100000766300_200009816735 [0,2,0,0,0,0|1,1,0]=4 6515 B14R1.68 COCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000766300 [0,2,0,0,0,0|1,0,0]=3 6516 B14R1.68 COCSc1ccc(cn1)NC(=O)C 62a_100000766300_100011934715 [0,2,0,0,0,0|1,0,0]=3 6517 B14R1.68 COCSc1ccc(nc1)NC(=O)C 62a_100000766300_100000193312 [0,2,0,0,0,0|1,0,0]=3 6518 B14R1.68 COCSc1ccc(nn1)NC(=O)C 62a_100000766300_100011804224 [0,2,0,0,0,0|2,0,0]=4 6519 B14R1.68 COCSc1cnc(nc1)NC(=O)C 62a_100000766300_100010141023 [0,2,0,0,0,0|2,0,0]=4 6520 B14R1.68 COCSc1cnc(nc1)NC(=O)C 62a_100010141023_100000766300 [0,2,0,0,0,0|2,0,0]=4 6521 B14R1.68 COCSc1ncc(cn1)NC(=O)C 62a_100000766300_200010565192 [0,2,0,0,0,0|2,0,0]=4 6522 B14R1.68 CSCCc1ccc(cc1)NC(=O)C 11a_100000750819_100015343762 [0,2,0,0,0,0|0,1,0]=3 6523 B14R1.68 CSCCc1ccc(cc1)NC(=O)C 1626a_100000750819_100015343762 [0,2,0,0,0,0|0,1,0]=3 6524 B14R1.68 CSCCc1ccc(cc1)NC(=O)C 22a_100000750819_100000070787 [0,2,0,0,0,0|0,1,0]=3 6525 B14R1.68 CSCCc1ccc(cc1)NC(=O)C 527a_100000750819_100103153847 [0,2,0,0,0,0|0,1,0]=3 6526 B14R1.68 CSCNc1ccc(cc1)NC(=O)C 34a_100000184111_100011218213 [0,2,0,0,0,0|0,1,0]=3 6527 B14R1.68 CSCOc1ccc(cc1)CC(=O)C 34a_100011218180_100011218213 [0,2,0,0,0,0|1,0,0]=3 6528 B14R1.68 CSCOc1ccc(cc1)CC(=O)N 34a_100000020825_100011218213 [0,2,0,0,0,0|2,0,0]=4 6529 B14R1.68 CSCOc1ccc(cc1)NC(=O)C 34a_100000184395_100011218213 [0,2,0,0,0,0|0,0,0]=2 6530 B14R1.68 CSCOc1ccc(nc1)NC(=O)C 34a_200000094647_100011218213 [0,2,0,0,0,0|1,0,0]=3 6531 B14R1.68 CSCSc1ccc(cc1)CC(=O)C 62a_100000691760_100011218213 [0,2,0,0,0,0|1,1,0]=4 6532 B14R1.68 CSCSc1ccc(cc1)CC(=O)C 62a_100011218213_100000691760 [0,2,0,0,0,0|1,1,0]=4 6533 B14R1.68 CSCSc1ccc(cc1)NC(=O)C 62a_100011218213_100000155215 [0,2,0,0,0,0|0,1,0]=3 6534 B14R1.68 CSCSc1ccc(cc1)NC(=O)N 62a_100011218213_100000198584 [0,2,0,0,0,0|1,1,0]=4 6535 B14R1.68 CSCSc1ccc(cc1)OC(=O)C 62a_100011218213_100000002173 [0,2,0,0,0,0|1,1,0]=4 6536 B14R1.68 CSCSc1ccc(cc1)SC(=O)C 62a_200009995050_100011218213 [0,2,0,0,0,0|1,1,0]=4 6537 B14R1.68 CSCSc1ccc(cn1)NC(=O)C 62a_100011218213_100011934715 [0,2,0,0,0,0|1,1,0]=4 6538 B14R1.68 CSCSc1ccc(nc1)NC(=O)C 62a_100011218213_100000193312 [0,2,0,0,0,0|1,1,0]=4 6539 B14R1.68 N#CCSc1ccc(cc1)NC(=O)N 62a_100011215382_100000198584 [0,2,0,0,0,0|1,1,0]=4 6540 B14R1.68 NC(=O)Cc1ccc(cc1)OCC=O 34a_100000020825_200009817547 [0,2,0,0,0,0|2,0,0]=4 6541 B14R1.68 NC(=O)Cc1ccc(cc1)OCCF 34a_100000020825_100011217306 [0,2,0,0,0,0|2,0,0]=4 6542 B14R1.68 NC(=O)Cc1ccc(cc1)OCCO 34a_100000020825_100000211926 [0,2,0,0,0,0|2,0,0]=4 6543 B14R1.68 NC(=O)Nc1ccc(cc1)SCC=O 62a_200015260668_100000198584 [0,2,0,0,0,0|1,1,0]=4 6544 B14R1.68 NC(=O)Nc1ccc(cc1)SCCF 62a_100011217306_100000198584 [0,2,0,0,0,0|1,1,0]=4 6545 B14R1.68 NC(=O)Nc1ccc(cc1)SCCO 62a_100000211926_100000198584 [0,2,0,0,0,0|1,1,0]=4 6546 B14R1.490 C=C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100015277604_100000152120 [0,2,0,0,0,0|1,0,1]=4 6547 B14R1.490 C=C=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100015277604_100011273303 [0,2,0,0,0,0|1,0,1]=4 6548 B14R1.490 C=C=Cc1ccc(c(c1)F)NC(=O)C 271570a_100015277604_100000155584 [0,2,0,0,0,0|1,0,1]=4 6549 B14R1.490 C=C=Cc1ccc(c(c1)N)NC(=O)C 271570a_100015277604_100000749274 [0,2,0,0,0,0|1,0,1]=4 6550 B14R1.490 CC(=O)Cc1ccc(cc1Cl)OCF 34a_200000084595_100015361967 [0,2,0,0,0,0|1,0,0]=3 6551 B14R1.490 CC(=O)Cc1ccc(cc1Cl)OCF 7a_200000084595_100015361967 [0,2,0,0,0,0|1,0,0]=3 6552 B14R1.490 CC(=O)Nc1ccc(cc1Br)CC#N 11a_100010188563_100015343762 [0,2,0,0,0,0|1,0,1]=4 6553 B14R1.490 CC(=O)Nc1ccc(cc1Br)CC#N 1626a_100010188563_100015343762 [0,2,0,0,0,0|1,0,1]=4 6554 B14R1.490 CC(=O)Nc1ccc(cc1Br)CC#N 527a_100010188563_100103153847 [0,2,0,0,0,0|1,0,1]=4 6555 B14R1.490 CC(=O)Nc1ccc(cc1C)NCF 34a_100000736504_100015361967 [0,2,0,0,0,0|1,0,0]=3 6556 B14R1.490 CC(=O)Nc1ccc(cc1C)NCF 7a_100000736504_100015361967 [0,2,0,0,0,0|1,0,0]=3 6557 B14R1.490 CC(=O)Nc1ccc(cc1C)SC#N 22a_100000010545_100000070787 [0,2,0,0,0,0|0,1,1]=4 6558 B14R1.490 CC(=O)Nc1ccc(cc1C)SCF 62a_100015361967_100000152120 [0,2,0,0,0,0|0,1,0]=3 6559 B14R1.490 CC(=O)Nc1ccc(cc1Cl)NCF 34a_100000244014_100015361967 [0,2,0,0,0,0|1,0,0]=3 6560 B14R1.490 CC(=O)Nc1ccc(cc1Cl)NCF 7a_100000244014_100015361967 [0,2,0,0,0,0|1,0,0]=3 6561 B14R1.490 CC(=O)Nc1ccc(cc1Cl)SCF 62a_100015361967_100011273303 [0,2,0,0,0,0|0,1,0]=3 6562 B14R1.490 CC(=O)Nc1ccc(cc1F)SC#N 1626a_100000010546_100015343762 [0,2,0,0,0,0|0,1,1]=4 6563 B14R1.490 CC(=O)Nc1ccc(cc1F)SCF 62a_100015361967_100000155584 [0,2,0,0,0,0|0,1,0]=3 6564 B14R1.490 CC(=O)Nc1ccc(cc1I)CC#N 11a_100010145202_100015343762 [0,2,0,0,0,0|1,0,1]=4 6565 B14R1.490 CC(=O)Nc1ccc(cc1I)CC#N 1626a_100010145202_100015343762 [0,2,0,0,0,0|1,0,1]=4 6566 B14R1.490 CC(=O)Nc1ccc(cc1I)CC#N 527a_100010145202_100103153847 [0,2,0,0,0,0|1,0,1]=4 6567 B14R1.490 CC(=O)Nc1ncc(cc1C)SCF 62a_100015361967_200011934169 [0,2,0,0,0,0|1,1,0]=4 6568 B14R1.490 CC(=O)Oc1ccc(cc1F)SCF 62a_100009811628_100015361967 [0,2,0,0,0,0|1,1,0]=4 6569 B14R1.490 CC(=O)Oc1ccc(cc1F)SCF 62a_100015361967_100009811628 [0,2,0,0,0,0|1,1,0]=4 6570 B14R1.490 CC=Cc1ccc(c(c1)C)NC(=O)C 271570a_100016259895_100000152120 [0,2,0,0,0,0|1,0,0]=3 6571 B14R1.490 CC=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100016259895_100011273303 [0,2,0,0,0,0|1,0,0]=3 6572 B14R1.490 CC=Cc1ccc(c(c1)F)NC(=O)C 271570a_100016259895_100000155584 [0,2,0,0,0,0|1,0,0]=3 6573 B14R1.490 CC=Cc1ccc(c(c1)F)OC(=O)C 271570a_100016259895_100009811628 [0,2,0,0,0,0|2,0,0]=4 6574 B14R1.490 CC=Cc1ccc(c(c1)N)NC(=O)C 271570a_100016259895_100000749274 [0,2,0,0,0,0|1,0,0]=3 6575 B14R1.490 CC=Cc1cnc(c(c1)C)NC(=O)C 271570a_100016259895_200011934169 [0,2,0,0,0,0|2,0,0]=4 6576 B14R1.490 CCNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_100000210202 [0,2,0,0,0,0|1,0,0]=3 6577 B14R1.490 CCNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_100000210202 [0,2,0,0,0,0|1,0,0]=3 6578 B14R1.490 CCNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_100000210202 [0,2,0,0,0,0|1,0,0]=3 6579 B14R1.490 CCNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_100000210202 [0,2,0,0,0,0|1,0,0]=3 6580 B14R1.490 CCOc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100012344538 [0,2,0,0,0,0|2,0,0]=4 6581 B14R1.490 CCOc1ccc(c(c1)C)NC(=O)C 11a_100000742753_100015343762 [0,2,0,0,0,0|0,0,0]=2 6582 B14R1.490 CCOc1ccc(c(c1)C)NC(=O)C 1626a_100000742753_100015343762 [0,2,0,0,0,0|0,0,0]=2 6583 B14R1.490 CCOc1ccc(c(c1)C)NC(=O)C 22a_100000742753_100000070787 [0,2,0,0,0,0|0,0,0]=2 6584 B14R1.490 CCOc1ccc(c(c1)C)NC(=O)C 527a_100000742753_100103153847 [0,2,0,0,0,0|0,0,0]=2 6585 B14R1.490 CCOc1ccc(c(c1)C)NC(C)C 2230a_100000742753_100000210206 [0,2,0,0,0,0|1,0,1]=4 6586 B14R1.490 CCOc1ccc(c(c1)C)NC(C)C 34a_100000742753_100000210206 [0,2,0,0,0,0|1,0,1]=4 6587 B14R1.490 CCOc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_100000210202 [0,2,0,0,0,0|1,0,0]=3 6588 B14R1.490 CCOc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_100000210202 [0,2,0,0,0,0|1,0,0]=3 6589 B14R1.490 CCOc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000692347 [0,2,0,0,0,0|2,0,0]=4 6590 B14R1.490 CCOc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_200016184943 [0,2,0,0,0,0|1,0,0]=3 6591 B14R1.490 CCOc1ccc(c(c1)F)NC(=O)C 11a_100015186438_100015343762 [0,2,0,0,0,0|0,0,0]=2 6592 B14R1.490 CCOc1ccc(c(c1)F)NC(=O)C 1626a_100015186438_100015343762 [0,2,0,0,0,0|0,0,0]=2 6593 B14R1.490 CCOc1ccc(c(c1)F)NC(=O)C 22a_100015186438_100000070787 [0,2,0,0,0,0|0,0,0]=2 6594 B14R1.490 CCOc1ccc(c(c1)F)NC(=O)C 527a_100015186438_100103153847 [0,2,0,0,0,0|0,0,0]=2 6595 B14R1.490 CCOc1ccc(c(c1)F)NC(C)C 2230a_100015186438_100000210206 [0,2,0,0,0,0|1,0,1]=4 6596 B14R1.490 CCOc1ccc(c(c1)F)NC(C)C 34a_100015186438_100000210206 [0,2,0,0,0,0|1,0,1]=4 6597 B14R1.490 CCSc1ccc(c(c1)C)NC(=O)C 62a_100000210202_100000152120 [0,2,0,0,0,0|0,1,0]=3 6598 B14R1.490 CCSc1ccc(c(c1)Cl)NC(=O)C 62a_100000210202_100011273303 [0,2,0,0,0,0|0,1,0]=3 6599 B14R1.490 CCSc1ccc(c(c1)F)NC(=O)C 62a_100000210202_100000155584 [0,2,0,0,0,0|0,1,0]=3 6600 B14R1.490 CCSc1ccc(c(c1)F)OC(=O)C 62a_100000210202_100009811628 [0,2,0,0,0,0|1,1,0]=4 6601 B14R1.490 CCSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_100000210202 [0,2,0,0,0,0|1,1,0]=4 6602 B14R1.490 CCSc1cnc(c(c1)C)NC(=O)C 62a_100000210202_200011934169 [0,2,0,0,0,0|1,1,0]=4 6603 B14R1.490 CNCc1ccc(c(c1)Cl)CC(=O)C 26a_100102657272_200000084595 [0,2,0,0,0,0|2,0,0]=4 6604 B14R1.490 COCc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100010177442 [0,2,0,0,0,0|2,0,0]=4 6605 B14R1.490 COCc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_200013033220 [0,2,0,0,0,0|2,0,0]=4 6606 B14R1.717 CC(=O)Nc1ccc(cc1)C(=O)CF 1458a_100000185149_100015361967 [0,2,0,0,0,0|1,0,0]=3 6607 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 11a_100000069498_100015343762 [0,2,0,0,0,0|1,0,0]=3 6608 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 1626a_100000069498_100015343762 [0,2,0,0,0,0|1,0,0]=3 6609 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 22a_100000069498_100000070787 [0,2,0,0,0,0|1,0,0]=3 6610 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 527a_100000069498_100103153847 [0,2,0,0,0,0|1,0,0]=3 6611 B14R1.717 CC(=O)Nc1ccc(cc1)N(C)CF 269982a_100000219403_100015361967 [0,2,0,0,0,0|1,0,0]=3 6612 B14R1.717 CC(=O)Nc1ccc(cc1)N(C)CF 34a_100000219403_100015361967 [0,2,0,0,0,0|1,0,0]=3 6613 B14R1.717 CC(=O)Nc1ccc(cc1)N(C)CF 38a_100000219403_100015361967 [0,2,0,0,0,0|1,0,0]=3 6614 B14R1.717 CCC(=O)c1ccc(cc1)NC(=O)C 1458a_100000185149_100000210202 [0,2,0,0,0,0|1,0,0]=3 6615 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 11a_100000211316_100015343762 [0,2,0,0,0,0|1,0,0]=3 6616 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 1626a_100000211316_100015343762 [0,2,0,0,0,0|1,0,0]=3 6617 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 22a_100000211316_100000070787 [0,2,0,0,0,0|1,0,0]=3 6618 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 527a_100000211316_100103153847 [0,2,0,0,0,0|1,0,0]=3 6619 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 2230a_100000219403_100000210202 [0,2,0,0,0,0|1,0,0]=3 6620 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 269982a_100000219403_100000204670 [0,2,0,0,0,0|1,0,0]=3 6621 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 34a_100000219403_100000210202 [0,2,0,0,0,0|1,0,0]=3 6622 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 38a_100000219403_100000204670 [0,2,0,0,0,0|1,0,0]=3 6623 B14R1.717 CNC(=O)c1ccc(cc1)CC(=O)C 1458a_100000070787_100000753832 [0,2,0,0,0,0|2,0,0]=4 6624 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 11a_100000184841_100015343762 [0,2,0,0,0,0|1,0,0]=3 6625 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 11a_106832991635_100000185149 [0,2,0,0,0,0|1,0,0]=3 6626 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 1626a_100000184841_100015343762 [0,2,0,0,0,0|1,0,0]=3 6627 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 1626a_100102657272_100000185149 [0,2,0,0,0,0|1,0,0]=3 6628 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 22a_100000184841_100000070787 [0,2,0,0,0,0|1,0,0]=3 6629 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 240690a_100102657272_100000185149 [0,2,0,0,0,0|1,0,0]=3 6630 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 527a_100000184841_100103153847 [0,2,0,0,0,0|1,0,0]=3 6631 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 527a_100102657272_100000185149 [0,2,0,0,0,0|1,0,0]=3 6632 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 11a_106832991635_100000188978 [0,2,0,0,0,0|2,0,0]=4 6633 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 1626a_100102657272_100000188978 [0,2,0,0,0,0|2,0,0]=4 6634 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 240690a_100102657272_100000188978 [0,2,0,0,0,0|2,0,0]=4 6635 B14R1.717 CNC(C)c1ccc(cc1)NC(=O)C 269862a_106832991636_100000152756 [0,2,0,0,0,0|1,0,0]=3 6636 B14R1.717 CNC(C)c1ccc(cc1)OC(=O)C 269862a_106832991636_100000001828 [0,2,0,0,0,0|2,0,0]=4 6637 B14R1.717 COC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000150774 [0,2,0,0,0,0|2,0,0]=4 6638 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)C 1458a_100000070787_100000735637 [0,2,0,0,0,0|1,0,0]=3 6639 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)C 1458a_100012277402_200000210301 [0,2,0,0,0,0|1,0,0]=3 6640 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)[13CH3] 1458a_100012277402_200025704644 [0,2,0,0,0,0|1,0,0]=3 6641 B14R1.717 COC(=O)c1ccc(cc1)NC(=O)C 188690a_100016994500_100015343762 [0,2,0,0,0,0|0,0,0]=2 6642 B14R1.717 COC(=O)c1ccc(cn1)CC(=O)C 1458a_100000070787_100010177729 [0,2,0,0,0,0|2,0,0]=4 6643 B14R1.717 COC(=O)c1ccc(nc1)CC(=O)C 1458a_100000070787_100010230174 [0,2,0,0,0,0|2,0,0]=4 6644 B14R1.717 COC(C)c1ccc(cc1)C=C(C)C 271570a_100102525489_100010254937 [0,2,0,0,0,0|2,0,0]=4 6645 B14R1.805 CC(=Cc1ccc(cc1)NC(=O)N)C 271570a_100102525489_100000198584 [0,2,0,0,0,0|2,0,0]=4 6646 B14R1.805 CC(=Cc1ccc(cc1)OC(C)C)C 271570a_100102525489_100000169947 [0,2,0,0,0,0|2,0,0]=4 6647 B14R1.805 CC(=Cc1ccc(cc1)OC(F)F)C 271570a_100102525489_100000179047 [0,2,0,0,0,0|2,0,0]=4 6648 B14R1.805 CC(=O)Cc1ccc(cc1)C=C(C)C 271570a_100102525489_100000691760 [0,2,0,0,0,0|2,0,0]=4 6649 B14R1.805 CC(=O)Cc1ccc(cc1)CC(C)C 1458a_100000070787_100011982790 [0,2,0,0,0,0|2,0,0]=4 6650 B14R1.805 CC(=O)Cc1ccc(cc1)CC(C)C 1458a_100000204619_200000210301 [0,2,0,0,0,0|2,0,0]=4 6651 B14R1.805 CC(=O)Cc1ccc(cc1)NC(=O)C 1458a_100000070787_100000731167 [0,2,0,0,0,0|1,0,0]=3 6652 B14R1.805 CC(=O)Cc1ccc(cc1)NC(=O)C 1458a_100000199044_200000210301 [0,2,0,0,0,0|1,0,0]=3 6653 B14R1.805 CC(=O)Cc1ccc(cc1)OC(C)C 1458a_100000244678_200000210301 [0,2,0,0,0,0|1,0,0]=3 6654 B14R1.805 CC(=O)Cc1ccc(cc1)OC(C)C 34a_100011218180_100000210206 [0,2,0,0,0,0|1,0,0]=3 6655 B14R1.805 CC(=O)Cc1ccc(cc1)OC(C)C 7a_100011218180_100000210206 [0,2,0,0,0,0|1,0,0]=3 6656 B14R1.805 CC(=O)Cc1ccc(cc1)OC(F)F 1458a_100000070787_100011217905 [0,2,0,0,0,0|1,0,0]=3 6657 B14R1.805 CC(=O)Cc1ccc(cc1)OC(F)F 1458a_100000199076_200000210301 [0,2,0,0,0,0|1,0,0]=3 6658 B14R1.805 CC(=O)Cc1ccc(cc1)SC(C)C 62a_100000210206_100000691760 [0,2,0,0,0,0|1,1,0]=4 6659 B14R1.805 CC(=O)Cc1ccc(cc1)SC(C)C 62a_100000691760_100000210206 [0,2,0,0,0,0|1,1,0]=4 6660 B14R1.805 CC(=O)Cc1ccc(nc1)OC(F)F 1458a_100000070787_100009887947 [0,2,0,0,0,0|2,0,0]=4 6661 B14R1.805 CC(=O)Nc1ccc(cc1)C=C(C)C 271570a_100102525489_100000155215 [0,2,0,0,0,0|1,0,0]=3 6662 B14R1.805 CC(=O)Nc1ccc(cc1)CC(=O)N 11a_100000738315_100015343762 [0,2,0,0,0,0|1,0,1]=4 6663 B14R1.805 CC(=O)Nc1ccc(cc1)CC(=O)N 1626a_100000738315_100015343762 [0,2,0,0,0,0|1,0,1]=4 6664 B14R1.805 CC(=O)Nc1ccc(cc1)CC(=O)N 22a_100000738315_100000070787 [0,2,0,0,0,0|1,0,1]=4 6665 B14R1.805 CC(=O)Nc1ccc(cc1)CC(=O)N 527a_100000738315_100103153847 [0,2,0,0,0,0|1,0,1]=4 6666 B14R1.805 CC(=O)Nc1ccc(cc1)CC(=O)[13CH3] 1458a_100000199044_200025704644 [0,2,0,0,0,0|1,0,0]=3 6667 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 11a_100000687309_100015343762 [0,2,0,0,0,0|1,0,0]=3 6668 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 1626a_100000687309_100015343762 [0,2,0,0,0,0|1,0,0]=3 6669 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 22a_100000687309_100000070787 [0,2,0,0,0,0|1,0,0]=3 6670 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 527a_100000687309_100103153847 [0,2,0,0,0,0|1,0,0]=3 6671 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 11a_100000246131_100015343762 [0,2,0,0,0,0|1,0,0]=3 6672 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 2230a_100102631434_100000731167 [0,2,0,0,0,0|1,0,0]=3 6673 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 22a_100000246131_100000070787 [0,2,0,0,0,0|1,0,0]=3 6674 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 269982a_100102631434_100000731167 [0,2,0,0,0,0|1,0,0]=3 6675 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 527a_100000246131_100103153847 [0,2,0,0,0,0|1,0,0]=3 6676 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 11a_100000184111_100015343762 [0,2,0,0,0,0|1,0,0]=3 6677 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 1626a_100000184111_100015343762 [0,2,0,0,0,0|1,0,0]=3 6678 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 22a_100000184111_100000070787 [0,2,0,0,0,0|1,0,0]=3 6679 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 527a_100000184111_100103153847 [0,2,0,0,0,0|1,0,0]=3 6680 B14R1.805 CC(=O)Nc1ccc(cc1)NC(C)C 34a_100000184111_100000210206 [0,2,0,0,0,0|1,0,0]=3 6681 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 11a_100009829859_100015343762 [0,2,0,0,0,0|0,0,0]=2 6682 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 1626a_100009829859_100015343762 [0,2,0,0,0,0|0,0,0]=2 6683 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 22a_100009829859_100000070787 [0,2,0,0,0,0|0,0,0]=2 6684 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 527a_100009829859_100103153847 [0,2,0,0,0,0|0,0,0]=2 6685 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 11a_100011194259_100015343762 [0,2,0,0,0,0|0,0,0]=2 6686 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 1626a_100011194259_100015343762 [0,2,0,0,0,0|0,0,0]=2 6687 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 22a_100011194259_100000070787 [0,2,0,0,0,0|0,0,0]=2 6688 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 34a_100000184395_100000210206 [0,2,0,0,0,0|0,0,0]=2 6689 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 527a_100011194259_100103153847 [0,2,0,0,0,0|0,0,0]=2 6690 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 7a_100000184395_100000210206 [0,2,0,0,0,0|0,0,0]=2 6691 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 11a_100000183591_100015343762 [0,2,0,0,0,0|0,0,0]=2 6692 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 1626a_100000183591_100015343762 [0,2,0,0,0,0|0,0,0]=2 6693 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 22a_100000183591_100000070787 [0,2,0,0,0,0|0,0,0]=2 6694 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 527a_100000183591_100103153847 [0,2,0,0,0,0|0,0,0]=2 6695 B14R1.805 CC(=O)Nc1ccc(cc1)SC(C)C 62a_100000210206_100000155215 [0,2,0,0,0,0|0,1,0]=3 6696 B14R1.805 CC(=O)Nc1ccc(cc1)SC(F)F 11a_100000189473_100015343762 [0,2,0,0,0,0|0,1,0]=3 6697 B14R1.805 CC(=O)Nc1ccc(cc1)SC(F)F 1626a_100000189473_100015343762 [0,2,0,0,0,0|0,1,0]=3 6698 B14R1.805 CC(=O)Nc1ccc(cc1)SC(F)F 22a_100000189473_100000070787 [0,2,0,0,0,0|0,1,0]=3 6699 B14R1.805 CC(=O)Nc1ccc(cn1)C=C(C)C 271570a_100102525489_100000193312 [0,2,0,0,0,0|2,0,0]=4 6700 B14R1.805 CC(=O)Nc1ccc(cn1)OC(C)C 34a_200000094647_100000210206 [0,2,0,0,0,0|1,0,0]=3 6701 B14R1.805 CC(=O)Nc1ccc(cn1)OC(C)C 7a_200000094647_100000210206 [0,2,0,0,0,0|1,0,0]=3 6702 B14R1.805 CC(=O)Nc1ccc(cn1)SC(C)C 62a_100000210206_100000193312 [0,2,0,0,0,0|1,1,0]=4 6703 B14R1.805 CC(=O)Nc1ccc(nc1)C=C(C)C 271570a_100102525489_100011934715 [0,2,0,0,0,0|2,0,0]=4 6704 B14R1.805 CC(=O)Nc1ccc(nc1)SC(C)C 62a_100000210206_100011934715 [0,2,0,0,0,0|1,1,0]=4 6705 B14R1.805 CC(=O)Oc1ccc(cc1)C=C(C)C 271570a_100102525489_100000002173 [0,2,0,0,0,0|2,0,0]=4 6706 B14R1.805 CC(=O)Oc1ccc(cc1)CN(C)C 2230a_100102631434_100000033664 [0,2,0,0,0,0|2,0,0]=4 6707 B14R1.805 CC(=O)Oc1ccc(cc1)CN(C)C 269982a_100102631434_100000033664 [0,2,0,0,0,0|2,0,0]=4 6708 B14R1.805 CC(=O)Oc1ccc(cc1)CN(C)C 270004a_100102631434_100000014718 [0,2,0,0,0,0|2,0,0]=4 6709 B14R1.805 CC(=O)Oc1ccc(cc1)SC(C)C 62a_100000210206_100000002173 [0,2,0,0,0,0|1,1,0]=4 6710 B14R1.805 CC(=O)Sc1ccc(cc1)C=C(C)C 271570a_100102525489_200009995050 [0,2,0,0,0,0|2,0,0]=4 6711 B14R1.805 CC(=O)Sc1ccc(cc1)SC(C)C 62a_200009995050_100000210206 [0,2,0,0,0,0|1,1,0]=4 6712 B14R1.805 CC(=S)Oc1ccc(cc1)C=C(C)C 271570a_100102525489_200009816735 [0,2,0,0,0,0|2,0,0]=4 6713 B14R1.805 CC(C)Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000204619_200025704644 [0,2,0,0,0,0|2,0,0]=4 6714 B14R1.805 CC(C)Nc1ccc(cc1)OC(C)C 2230a_100011194259_100000210206 [0,2,0,0,0,0|1,0,1]=4 6715 B14R1.805 CC(C)Nc1ccc(cc1)OC(C)C 34a_100011194259_100000210206 [0,2,0,0,0,0|1,0,1]=4 6716 B14R1.805 CC(C)Nc1ccc(cc1)OC(F)F 2230a_100000183591_100000210206 [0,2,0,0,0,0|1,0,1]=4 6717 B14R1.805 CC(C)Nc1ccc(cc1)OC(F)F 34a_100000183591_100000210206 [0,2,0,0,0,0|1,0,1]=4 6718 B14R1.805 CC(C)Oc1ccc(cc1)CC(=O)N 34a_100000020825_100000210206 [0,2,0,0,0,0|2,0,0]=4 6719 B14R1.805 CC(C)Oc1ccc(cc1)CC(=O)[13CH3] 1458a_100000244678_200025704644 [0,2,0,0,0,0|1,0,0]=3 6720 B14R1.805 CC(C)Sc1ccc(cc1)NC(=O)N 62a_100000210206_100000198584 [0,2,0,0,0,0|1,1,0]=4 6721 B14R1.805 [13CH3]C(=O)Cc1ccc(cc1)OC(F)F 1458a_100000199076_200025704644 [0,2,0,0,0,0|1,0,0]=3 6722 B14R1.124 C=C(C)c1ccc(c(c1)C)NC(=O)C 271570a_100000694244_100000152120 [0,2,0,0,0,0|1,0,0]=3 6723 B14R1.124 C=C(C)c1ccc(c(c1)Cl)NC(=O)C 271570a_100000694244_100011273303 [0,2,0,0,0,0|1,0,0]=3 6724 B14R1.124 C=C(C)c1ccc(c(c1)F)NC(=O)C 271570a_100000694244_100000155584 [0,2,0,0,0,0|1,0,0]=3 6725 B14R1.124 C=C(C)c1ccc(c(c1)F)OC(=O)C 271570a_100000694244_100009811628 [0,2,0,0,0,0|2,0,0]=4 6726 B14R1.124 C=C(C)c1ccc(c(c1)N)NC(=O)C 271570a_100000694244_100000749274 [0,2,0,0,0,0|1,0,0]=3 6727 B14R1.124 C=C(C)c1cnc(c(c1)C)NC(=O)C 271570a_100000694244_200011934169 [0,2,0,0,0,0|2,0,0]=4 6728 B14R1.124 CC(=O)Cc1ccc(cc1Br)C(=O)C 1458a_100000070787_100010884425 [0,2,0,0,0,0|2,0,0]=4 6729 B14R1.124 CC(=O)Nc1ccc(cc1Br)C(C)C 11a_100011218581_100015343762 [0,2,0,0,0,0|1,0,0]=3 6730 B14R1.124 CC(=O)Nc1ccc(cc1Br)C(C)C 1626a_100011218581_100015343762 [0,2,0,0,0,0|1,0,0]=3 6731 B14R1.124 CC(=O)Nc1ccc(cc1Br)C(C)C 527a_100011218581_100103153847 [0,2,0,0,0,0|1,0,0]=3 6732 B14R1.124 CC(=O)Nc1ccc(cc1Br)N(C)C 11a_200013039233_100015343762 [0,2,0,0,0,0|1,0,0]=3 6733 B14R1.124 CC(=O)Nc1ccc(cc1Br)N(C)C 1626a_200013039233_100015343762 [0,2,0,0,0,0|1,0,0]=3 6734 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)C 1458a_200000244242_200000210301 [0,2,0,0,0,0|1,0,0]=3 6735 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 11a_100000746439_100015343762 [0,2,0,0,0,0|2,0,0]=4 6736 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 1626a_100000746439_100015343762 [0,2,0,0,0,0|2,0,0]=4 6737 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 22a_100000746439_100000070787 [0,2,0,0,0,0|2,0,0]=4 6738 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 527a_100000746439_100103153847 [0,2,0,0,0,0|2,0,0]=4 6739 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)[13CH3] 1458a_200000244242_200025704644 [0,2,0,0,0,0|1,0,0]=3 6740 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 11a_100000246174_100015343762 [0,2,0,0,0,0|1,0,0]=3 6741 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 1626a_100000246174_100015343762 [0,2,0,0,0,0|1,0,0]=3 6742 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 22a_100000246174_100000070787 [0,2,0,0,0,0|1,0,0]=3 6743 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 527a_100000246174_100103153847 [0,2,0,0,0,0|1,0,0]=3 6744 B14R1.124 CC(=O)Nc1ccc(cc1C)[N+](=O)[O-] 11a_100000184110_100015343762 [0,2,0,0,0,0|2,0,0]=4 6745 B14R1.124 CC(=O)Nc1ccc(cc1Cl)[N+](=O)[O-] 11a_100000185723_100015343762 [0,2,0,0,0,0|2,0,0]=4 6746 B14R1.124 CC(=O)Nc1ccc(cc1F)[N+](=O)[O-] 11a_100000745739_100015343762 [0,2,0,0,0,0|2,0,0]=4 6747 B14R1.124 CC(=O)Nc1ccc(cc1F)[N+](=O)[O-] 1626a_100000745739_100015343762 [0,2,0,0,0,0|2,0,0]=4 6748 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 11a_100012355998_100015343762 [0,2,0,0,0,0|1,0,0]=3 6749 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 1626a_100012355998_100015343762 [0,2,0,0,0,0|1,0,0]=3 6750 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 22a_100012355998_100000070787 [0,2,0,0,0,0|1,0,0]=3 6751 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 527a_100012355998_100103153847 [0,2,0,0,0,0|1,0,0]=3 6752 B14R1.124 CC(=O)Nc1ccc(cc1I)[N+](=O)[O-] 1626a_100012047210_100015343762 [0,2,0,0,0,0|2,0,0]=4 6753 B14R1.124 CC(=O)Nc1ccc(cc1O)C(=O)C 271570a_203496583355_100009813952 [0,2,0,0,0,0|1,0,0]=3 6754 B14R1.124 CC(=O)Nc1ccc(cc1O)C(=O)N 22a_100011850428_100000070787 [0,2,0,0,0,0|2,0,0]=4 6755 B14R1.124 CC(=O)Nc1ccc(cc1O)C(=O)N 527a_100011850428_100103153847 [0,2,0,0,0,0|2,0,0]=4 6756 B14R1.124 CC(=O)Nc1ccc(cc1O)C(C)C 271570a_203496583355_200009992923 [0,2,0,0,0,0|1,0,0]=3 6757 B14R1.124 CC(=O)Nc1ccc(cc1O)[N+](=O)[O-] 22a_100000210499_100000070787 [0,2,0,0,0,0|2,0,0]=4 6758 B14R1.124 CC(=O)Nc1ccc(cc1O)[N+](=O)[O-] 527a_100000210499_100103153847 [0,2,0,0,0,0|2,0,0]=4 6759 B14R1.806 CC(=O)Cc1ccc(cc1)C(C)(C)C 1458a_100000070787_100000212263 [0,2,0,0,0,0|2,0,0]=4 6760 B14R1.806 CC(=O)Cc1ccc(cc1)C(C)(C)C 1458a_100000186723_200000210301 [0,2,0,0,0,0|2,0,0]=4 6761 B14R1.806 CC(=O)Cc1ccc(cc1)S(=O)(=O)C 1458a_100000070787_100000717844 [0,2,0,0,0,0|1,1,0]=4 6762 B14R1.806 CC(=O)Cc1ccc(cc1)S(=O)(=O)C 1458a_100011219842_200000210301 [0,2,0,0,0,0|1,1,0]=4 6763 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 11a_100000210346_100015343762 [0,2,0,0,0,0|1,0,0]=3 6764 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 1626a_100000210346_100015343762 [0,2,0,0,0,0|1,0,0]=3 6765 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 22a_100000210346_100000070787 [0,2,0,0,0,0|1,0,0]=3 6766 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 527a_100000210346_100103153847 [0,2,0,0,0,0|1,0,0]=3 6767 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 11a_100000210975_100015343762 [0,2,0,0,0,0|2,0,0]=4 6768 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 1626a_100000210975_100015343762 [0,2,0,0,0,0|2,0,0]=4 6769 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 22a_100000210975_100000070787 [0,2,0,0,0,0|2,0,0]=4 6770 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 527a_100000210975_100103153847 [0,2,0,0,0,0|2,0,0]=4 6771 B14R1.806 CC(=O)Nc1ccc(cc1)S(=O)(=O)C 11a_100000195502_100015343762 [0,2,0,0,0,0|0,1,0]=3 6772 B14R1.806 CC(=O)Nc1ccc(cc1)S(=O)(=O)C 1626a_100000195502_100015343762 [0,2,0,0,0,0|0,1,0]=3 6773 B14R1.806 CC(=O)Nc1ccc(cc1)S(=O)(=O)C 22a_100000195502_100000070787 [0,2,0,0,0,0|0,1,0]=3 6774 B14R1.806 CC(=O)Nc1ccc(cc1)S(=O)(=O)N 22a_100000182716_100000070787 [0,2,0,0,0,0|1,1,0]=4 6775 B14R1.806 CC(=O)Nc1ccc(cc1)[As](=O)(O)O 22a_100000064874_100000070787 [0,2,0,0,0,0|2,0,0]=4 6776 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 11a_100009954384_100015343762 [0,2,0,0,0,0|1,0,0]=3 6777 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 1626a_100009954384_100015343762 [0,2,0,0,0,0|1,0,0]=3 6778 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 22a_100009954384_100000070787 [0,2,0,0,0,0|1,0,0]=3 6779 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 527a_100009954384_100103153847 [0,2,0,0,0,0|1,0,0]=3 6780 B14R1.806 CC(C)(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000186723_200025704644 [0,2,0,0,0,0|2,0,0]=4 6781 B14R1.806 CS(=O)(=O)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011219842_200025704644 [0,2,0,0,0,0|1,1,0]=4 6782 B14R1.101 C=Cc1cc(ccc1NC(=O)C)C#N 271570a_100011290941_200011214909 [0,2,0,0,0,0|2,0,0]=4 6783 B14R1.101 C=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100011290941_100009813048 [0,2,0,0,0,0|1,0,1]=4 6784 B14R1.101 CC(=O)Nc1ccc(cc1C#N)C#N 1626a_100000075861_100015343762 [0,2,0,0,0,0|2,0,0]=4 6785 B14R1.101 CC(=O)Nc1ccc(cc1S[13CH3])C#N 62a_200025704644_200011214909 [0,2,0,0,0,0|2,0,0]=4 6786 B14R1.101 CCc1cc(ccc1C=C(C)C)OC 271570a_100102525489_100000720562 [0,2,0,0,0,0|2,0,0]=4 6787 B14R1.101 CCc1cc(ccc1NC(=O)C)C#N 11a_100011219738_100015343762 [0,2,0,0,0,0|2,0,0]=4 6788 B14R1.101 CCc1cc(ccc1NC(=O)C)C#N 1626a_100011219738_100015343762 [0,2,0,0,0,0|2,0,0]=4 6789 B14R1.101 CCc1cc(ccc1NC(=O)C)C#N 527a_100011219738_100103153847 [0,2,0,0,0,0|2,0,0]=4 6790 B14R1.101 CNc1cc(ccc1NC(=O)C)OC 2230a_100000744381_200000210301 [0,2,0,0,0,0|0,0,0]=2 6791 B14R1.101 CNc1cc(ccc1NC(=O)C)OC 34a_100000744381_200000210301 [0,2,0,0,0,0|0,0,0]=2 6792 B14R1.101 CNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_200000210301 [0,2,0,0,0,0|1,0,0]=3 6793 B14R1.101 CNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_200000210301 [0,2,0,0,0,0|1,0,0]=3 6794 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 11a_100000701993_100015343762 [0,2,0,0,0,0|2,0,0]=4 6795 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 1626a_100000701993_100015343762 [0,2,0,0,0,0|2,0,0]=4 6796 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 22a_100000701993_100000070787 [0,2,0,0,0,0|2,0,0]=4 6797 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 527a_100000701993_100103153847 [0,2,0,0,0,0|2,0,0]=4 6798 B14R1.101 COc1cc(ccc1NC(=O)C)CO 22a_100000087641_100000070787 [0,2,0,0,0,0|2,0,0]=4 6799 B14R1.101 COc1cc(ccc1NC(=O)C)N[13CH3] 34a_100015186897_200025704644 [0,2,0,0,0,0|1,0,0]=3 6800 B14R1.101 COc1cc(ccc1NC(=O)C)N[13CH3] 7a_100015186897_200025704644 [0,2,0,0,0,0|1,0,0]=3 6801 B14R1.101 COc1cc(ccc1NC(=O)C)SC 11a_100000766855_100015343762 [0,2,0,0,0,0|0,1,0]=3 6802 B14R1.101 COc1cc(ccc1NC(=O)C)SC 22a_100000766855_100000070787 [0,2,0,0,0,0|0,1,0]=3 6803 B14R1.101 COc1cc(ccc1NC(=O)C)SC 527a_100000766855_100103153847 [0,2,0,0,0,0|0,1,0]=3 6804 B14R1.101 COc1ccc(c(c1)C#N)C=C(C)C 271570a_100102525489_100000748272 [0,2,0,0,0,0|2,0,0]=4 6805 B14R1.101 COc1ccc(c(c1)C#N)CC(=O)C 1458a_100009888289_200000210301 [0,2,0,0,0,0|1,0,0]=3 6806 B14R1.101 COc1ccc(c(c1)C#N)CC(=O)[13CH3] 1458a_100009888289_200025704644 [0,2,0,0,0,0|1,0,0]=3 6807 B14R1.101 COc1ccc(c(c1)C#N)NC(=O)C 11a_100011997231_100015343762 [0,2,0,0,0,0|0,0,0]=2 6808 B14R1.101 COc1ccc(c(c1)C#N)NC(=O)C 1626a_100011997231_100015343762 [0,2,0,0,0,0|0,0,0]=2 6809 B14R1.101 COc1ccc(c(c1)C#N)NC(C)C 34a_100011997231_100000210206 [0,2,0,0,0,0|1,0,1]=4 6810 B14R1.101 COc1ccc(c(c1)C=O)C=C(C)C 271570a_100102525489_100000691568 [0,2,0,0,0,0|2,0,0]=4 6811 B14R1.101 COc1ccc(c(c1)CN)C=C(C)C 271570a_100102525489_100000741592 [0,2,0,0,0,0|2,0,0]=4 6812 B14R1.101 COc1ccc(c(c1)CO)C=C(C)C 271570a_100102525489_200011273942 [0,2,0,0,0,0|2,0,0]=4 6813 B14R1.101 COc1ccc(c(c1)CO)NC(=O)C 22a_100012001277_100000070787 [0,2,0,0,0,0|0,0,0]=2 6814 B14R1.101 COc1ccc(c(c1)CO)NC(=O)C 527a_100012001277_100103153847 [0,2,0,0,0,0|0,0,0]=2 6815 B14R1.101 COc1ccc(c(c1)CO)NC(C)C 34a_100012001277_100000210206 [0,2,0,0,0,0|1,0,1]=4 6816 B14R1.101 COc1ccc(c(c1)N[13CH3])NC(=O)C 2230a_100000744381_200025704644 [0,2,0,0,0,0|0,0,0]=2 6817 B14R1.101 COc1ccc(c(c1)N[13CH3])NC(=O)C 34a_100000744381_200025704644 [0,2,0,0,0,0|0,0,0]=2 6818 B14R1.101 COc1ccc(c(c1)OC)C=C(C)C 271570a_100102525489_100000750026 [0,2,0,0,0,0|2,0,0]=4 6819 B14R1.101 COc1ccc(c(c1)OC)CC(=O)C 1458a_100000195418_200000210301 [0,2,0,0,0,0|1,0,0]=3 6820 B14R1.101 COc1ccc(c(c1)OC)CC(=O)[13CH3] 1458a_100000195418_200025704644 [0,2,0,0,0,0|1,0,0]=3 6821 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 11a_100000211191_100015343762 [0,2,0,0,0,0|0,0,0]=2 6822 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 1626a_100000211191_100015343762 [0,2,0,0,0,0|0,0,0]=2 6823 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 22a_100000211191_100000070787 [0,2,0,0,0,0|0,0,0]=2 6824 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 527a_100000211191_100103153847 [0,2,0,0,0,0|0,0,0]=2 6825 B14R1.101 COc1ccc(c(c1)OC)NC(C)C 2230a_100000211191_100000210206 [0,2,0,0,0,0|1,0,1]=4 6826 B14R1.101 COc1ccc(c(c1)OC)NC(C)C 34a_100000211191_100000210206 [0,2,0,0,0,0|1,0,1]=4 6827 B14R1.101 CSc1cc(ccc1NC(=O)C)C#N 62a_200000210301_200011214909 [0,2,0,0,0,0|2,0,0]=4 6828 B14R1.560 C#Cc1cc(c(c(c1)F)NC(=O)C)F 11a_100000054701_100015343762 [0,2,0,0,0,0|1,0,1]=4 6829 B14R1.560 C#Cc1cc(c(c(c1)F)NC(=O)C)F 1626a_100000054701_100015343762 [0,2,0,0,0,0|1,0,1]=4 6830 B14R1.560 CC(=O)Nc1c(cc(cc1Br)C#N)Br 1626a_100009814399_100015343762 [0,2,0,0,0,0|2,0,0]=4 6831 B14R1.560 CC(=O)Nc1c(cc(cc1Br)C#N)C 1626a_100010208250_100015343762 [0,2,0,0,0,0|2,0,0]=4 6832 B14R1.560 CC(=O)Nc1c(cc(cc1Br)C#N)Cl 1626a_100010188931_100015343762 [0,2,0,0,0,0|2,0,0]=4 6833 B14R1.560 CC(=O)Nc1c(cc(cc1Br)C#N)F 1626a_100010187407_100015343762 [0,2,0,0,0,0|2,0,0]=4 6834 B14R1.560 CC(=O)Nc1c(cc(cc1Br)N[13CH3])Br 34a_200011216352_200025704644 [0,2,0,0,0,0|1,0,0]=3 6835 B14R1.560 CC(=O)Nc1c(cc(cc1Br)N[13CH3])Br 7a_200011216352_200025704644 [0,2,0,0,0,0|1,0,0]=3 6836 B14R1.560 CC(=O)Nc1c(cc(cc1C)C#N)C 11a_100000068765_100015343762 [0,2,0,0,0,0|2,0,0]=4 6837 B14R1.560 CC(=O)Nc1c(cc(cc1C)C#N)C 1626a_100000068765_100015343762 [0,2,0,0,0,0|2,0,0]=4 6838 B14R1.560 CC(=O)Nc1c(cc(cc1Cl)C#N)C 1626a_100000038232_100015343762 [0,2,0,0,0,0|2,0,0]=4 6839 B14R1.560 CC(=O)Nc1c(cc(cc1Cl)C#N)Cl 1626a_100000035510_100015343762 [0,2,0,0,0,0|2,0,0]=4 6840 B14R1.560 CC(=O)Nc1c(cc(cc1Cl)C#N)F 1626a_100009869672_100015343762 [0,2,0,0,0,0|2,0,0]=4 6841 B14R1.560 CC(=O)Nc1c(cc(cc1F)C#N)F 1626a_100000717645_100015343762 [0,2,0,0,0,0|2,0,0]=4 6842 B14R1.560 CC(=O)Nc1c(cc(cc1I)C#N)Cl 1626a_200000050118_100015343762 [0,2,0,0,0,0|2,0,0]=4 6843 B14R1.560 CC(=O)Oc1c(cc(cc1C)S[13CH3])C 62a_200009816532_200025704644 [0,2,0,0,0,0|1,1,0]=4 6844 B14R1.560 CC(=O)Oc1c(cc(cc1C)S[13CH3])C 62a_200025704644_200009816532 [0,2,0,0,0,0|1,1,0]=4 6845 B14R1.560 CNc1cc(c(c(c1)Br)NC(=O)C)Br 34a_200011216352_200000210301 [0,2,0,0,0,0|1,0,0]=3 6846 B14R1.560 CNc1cc(c(c(c1)Br)NC(=O)C)Br 7a_200011216352_200000210301 [0,2,0,0,0,0|1,0,0]=3 6847 B14R1.560 COc1cc(c(c(c1)Br)NC(=O)C)Br 11a_100009997310_100015343762 [0,2,0,0,0,0|0,0,0]=2 6848 B14R1.560 COc1cc(c(c(c1)Br)NC(=O)C)C 11a_200011010636_100015343762 [0,2,0,0,0,0|0,0,0]=2 6849 B14R1.560 COc1cc(c(c(c1)Br)NC(=O)C)C 1626a_200011010636_100015343762 [0,2,0,0,0,0|0,0,0]=2 6850 B14R1.560 COc1cc(c(c(c1)Br)NC(C)C)Br 34a_100009997310_100000210206 [0,2,0,0,0,0|1,0,1]=4 6851 B14R1.560 COc1cc(c(c(c1)Br)NC(C)C)C 34a_200011010636_100000210206 [0,2,0,0,0,0|1,0,1]=4 6852 B14R1.560 COc1cc(c(c(c1)C)C=C(C)C)C 271570a_100102525489_100012160682 [0,2,0,0,0,0|2,0,0]=4 6853 B14R1.560 COc1cc(c(c(c1)C)NC(=O)C)C 11a_100009848961_100015343762 [0,2,0,0,0,0|0,0,0]=2 6854 B14R1.560 COc1cc(c(c(c1)C)NC(=O)C)C 1626a_100009848961_100015343762 [0,2,0,0,0,0|0,0,0]=2 6855 B14R1.560 COc1cc(c(c(c1)C)NC(=O)C)C 22a_100009848961_100000070787 [0,2,0,0,0,0|0,0,0]=2 6856 B14R1.560 COc1cc(c(c(c1)C)NC(C)C)C 34a_100009848961_100000210206 [0,2,0,0,0,0|1,0,1]=4 6857 B14R1.560 COc1cc(c(c(c1)Cl)NC(=O)C)Cl 11a_100000074854_100015343762 [0,2,0,0,0,0|0,0,0]=2 6858 B14R1.560 COc1cc(c(c(c1)Cl)NC(=O)C)Cl 1626a_100000074854_100015343762 [0,2,0,0,0,0|0,0,0]=2 6859 B14R1.560 COc1cc(c(c(c1)Cl)NC(=O)C)Cl 22a_100000074854_100000070787 [0,2,0,0,0,0|0,0,0]=2 6860 B14R1.560 COc1cc(c(c(c1)Cl)NC(C)C)Cl 34a_100000074854_100000210206 [0,2,0,0,0,0|1,0,1]=4 6861 B14R1.560 COc1cc(c(c(c1)F)C=C(C)C)F 271570a_100102525489_100011218311 [0,2,0,0,0,0|2,0,0]=4 6862 B14R1.560 COc1cc(c(c(c1)F)CC(=O)C)F 1458a_100000062061_200000210301 [0,2,0,0,0,0|1,0,0]=3 6863 B14R1.560 COc1cc(c(c(c1)F)CC(=O)C)F 1458a_100000070787_100011260758 [0,2,0,0,0,0|1,0,0]=3 6864 B14R1.560 COc1cc(c(c(c1)F)CC(=O)[13CH3])F 1458a_100000062061_200025704644 [0,2,0,0,0,0|1,0,0]=3 6865 B14R1.560 COc1cc(c(c(c1)F)NC(=O)C)F 11a_100011383474_100015343762 [0,2,0,0,0,0|0,0,0]=2 6866 B14R1.560 COc1cc(c(c(c1)F)NC(=O)C)F 1626a_100011383474_100015343762 [0,2,0,0,0,0|0,0,0]=2 6867 B14R1.560 COc1cc(c(c(c1)F)NC(=O)C)F 22a_100011383474_100000070787 [0,2,0,0,0,0|0,0,0]=2 6868 B14R1.560 COc1cc(c(c(c1)F)NC(=O)C)F 527a_100011383474_100103153847 [0,2,0,0,0,0|0,0,0]=2 6869 B14R1.560 COc1cc(c(c(c1)F)NC(C)C)F 34a_100011383474_100000210206 [0,2,0,0,0,0|1,0,1]=4 6870 B14R1.560 CSc1cc(c(c(c1)C)OC(=O)C)C 62a_200000210301_200009816532 [0,2,0,0,0,0|1,1,0]=4 6871 B14R1.560 CSc1cc(c(c(c1)C)OC(=O)C)C 62a_200009816532_200000210301 [0,2,0,0,0,0|1,1,0]=4 6872 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,0,1,1,0,0|2,0,0]=4 6873 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,0,1,1,0,0|1,0,1]=4 6874 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,0,1,1,0,0|1,0,1]=4 6875 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,0,1,1,0,0|2,0,0]=4 6876 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,0,1,1,0,0|2,0,0]=4 6877 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,0,1,1,0,0|2,0,0]=4 6878 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,0,1,1,0,0|2,0,0]=4 6879 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,0,1,1,0,0|2,0,0]=4 6880 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,0,1,1,0,0|1,0,1]=4 6881 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,0,1,1,0,0|1,0,1]=4 6882 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,0,1,1,0,0|1,0,1]=4 6883 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,0,1,1,0,0|1,0,1]=4 6884 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,0,1,1,0,0|2,0,0]=4 6885 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,0,1,1,0,0|2,0,0]=4 6886 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,0,1,1,0,0|2,0,0]=4 6887 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,0,1,1,0,0|2,0,0]=4 6888 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,0,1,1,0,0|2,0,0]=4 6889 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,0,1,1,0,0|2,0,0]=4 6890 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,0,1,1,0,0|2,0,0]=4 6891 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,0,1,1,0,0|2,0,0]=4 6892 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,0,1,1,0,0|2,0,0]=4 6893 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,0,1,1,0,0|2,0,0]=4 6894 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,0,1,1,0,0|2,0,0]=4 6895 B12R1.28 COCC=Cc1cccc(=O)[nH]1 271570a_100016286323_100000761760 [0,0,1,1,0,0|0,0,2]=4 6896 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,0,1,1,0,0|2,0,0]=4 6897 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,0,1,1,0,0|2,0,0]=4 6898 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,0,1,1,0,0|2,0,0]=4 6899 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,0,1,1,0,0|1,0,1]=4 6900 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,0,1,1,0,0|1,0,1]=4 6901 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,0,1,1,0,0|1,0,1]=4 6902 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,0,1,1,0,0|1,0,1]=4 6903 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,0,1,1,0,0|2,0,0]=4 6904 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,0,1,1,0,0|2,0,0]=4 6905 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,0,1,1,0,0|2,0,0]=4 6906 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,0,1,1,0,0|2,0,0]=4 6907 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,0,1,1,0,0|2,0,0]=4 6908 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,0,1,1,0,0|2,0,0]=4 6909 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,0,1,1,0,0|2,0,0]=4 6910 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,0,1,1,0,0|2,0,0]=4 6911 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,0,1,1,0,0|2,0,0]=4 6912 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,0,1,1,0,0|2,0,0]=4 6913 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,0,1,1,0,0|2,0,0]=4 6914 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,0,1,1,0,0|2,0,0]=4 6915 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,0,1,1,0,0|2,0,0]=4 6916 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,0,1,1,0,0|2,0,0]=4 6917 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,0,1,1,0,0|2,0,0]=4 6918 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,0,1,1,0,0|2,0,0]=4 6919 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,0,1,1,0,0|2,0,0]=4 6920 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,0,1,1,0,0|1,0,1]=4 6921 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,0,1,1,0,0|2,0,0]=4 6922 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,0,1,1,0,0|2,0,0]=4 6923 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,0,1,1,0,0|2,0,0]=4 6924 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,0,1,1,0,0|2,0,0]=4 6925 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,0,1,1,0,0|2,0,0]=4 6926 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,0,1,1,0,0|2,0,0]=4 6927 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,0,1,1,0,0|2,0,0]=4 6928 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,0,1,1,0,0|2,0,0]=4 6929 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,0,1,1,0,0|2,0,0]=4 6930 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,0,1,1,0,0|2,0,0]=4 6931 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,0,1,1,0,0|1,0,1]=4 6932 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,0,1,1,0,0|2,0,0]=4 6933 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,0,1,1,0,0|2,0,0]=4 6934 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,0,1,1,0,0|2,0,0]=4 6935 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,0,1,1,0,0|2,0,0]=4 6936 B12R2.294 Cc1ccc(cc1)NC2CC2 34a_100000124888_100000211595 [1,0,0,1,0,0|1,0,1]=4 6937 B12R2.294 Oc1ccc(cc1)NC2CC2 34a_100000185829_100000211595 [1,0,0,1,0,0|1,0,1]=4 6938 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [1,0,0,1,0,0|1,0,0]=3 6939 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [1,0,0,1,0,0|2,0,0]=4 6940 B12R2.606 Cc1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010202332 [1,0,0,1,0,0|2,0,0]=4 6941 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [1,0,0,1,0,0|2,0,0]=4 6942 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [1,0,0,1,0,0|1,0,0]=3 6943 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [1,0,0,1,0,0|2,0,0]=4 6944 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [1,0,0,1,0,0|2,0,0]=4 6945 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [1,0,0,1,0,0|0,0,2]=4 6946 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [1,0,0,1,0,0|0,1,1]=4 6947 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [1,0,0,1,0,0|2,0,0]=4 6948 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,0,0,1,0,0|0,0,0]=2 6949 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [1,0,0,1,0,0|1,0,0]=3 6950 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [1,0,0,1,0,0|1,0,0]=3 6951 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [1,0,0,1,0,0|1,0,0]=3 6952 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,0,0,1,0,0|2,0,0]=4 6953 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [1,0,0,1,0,0|1,0,0]=3 6954 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,0,0,1,0,0|2,0,0]=4 6955 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,0,0,1,0,0|2,0,0]=4 6956 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,0,0,1,0,0|1,0,0]=3 6957 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,0,0,1,0,0|1,0,0]=3 6958 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,0,0,1,0,0|1,0,0]=3 6959 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [1,0,0,1,0,0|2,0,0]=4 6960 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [1,0,0,1,0,0|2,0,0]=4 6961 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [1,0,0,1,0,0|1,0,1]=4 6962 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [1,0,0,1,0,0|1,0,1]=4 6963 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [1,0,0,1,0,0|1,0,1]=4 6964 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [1,0,0,1,0,0|1,0,1]=4 6965 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [1,0,0,1,0,0|1,0,1]=4 6966 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,0,0,1,0,0|0,0,1]=3 6967 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [1,0,0,1,0,0|1,0,1]=4 6968 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [1,0,0,1,0,0|1,0,1]=4 6969 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [1,0,0,1,0,0|0,0,1]=3 6970 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [1,0,0,1,0,0|2,0,0]=4 6971 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,0,0,1,0,0|2,0,0]=4 6972 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,0,0,1,0,0|1,0,1]=4 6973 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,0,0,1,0,0|1,0,1]=4 6974 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [1,0,0,1,0,0|0,1,1]=4 6975 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [1,0,0,1,0,0|0,1,1]=4 6976 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [1,0,0,1,0,0|1,0,1]=4 6977 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [1,0,0,1,0,0|1,0,1]=4 6978 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [1,0,0,1,0,0|1,0,1]=4 6979 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [1,0,0,1,0,0|1,0,1]=4 6980 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 6981 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 6982 B12R2.44 COc1cnc2[nH]ccc2c1 34a_100000087691_200000210301 [1,0,0,1,0,0|1,0,1]=4 6983 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [1,0,0,1,0,0|0,1,1]=4 6984 B12R2.44 CSc1ccc2[nH]cnc2c1 62a_200000210301_100011265325 [1,0,0,1,0,0|1,1,0]=4 6985 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [1,0,0,1,0,0|1,1,0]=4 6986 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [1,0,0,1,0,0|1,1,0]=4 6987 B12R2.44 CSc1ccc2c(c1)CCN2 62a_100000691068_200000210301 [1,0,0,1,0,0|0,1,1]=4 6988 B12R2.44 CSc1ccc2c(c1)CCN2 62a_200000210301_100000691068 [1,0,0,1,0,0|0,1,1]=4 6989 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,0,0,1,0,0|0,0,1]=3 6990 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [1,0,0,1,0,0|1,0,1]=4 6991 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [1,0,0,1,0,0|1,0,1]=4 6992 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [1,0,0,1,0,0|0,0,1]=3 6993 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [1,0,0,1,0,0|2,0,0]=4 6994 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,0,0,1,0,0|2,0,0]=4 6995 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,0,0,1,0,0|1,0,1]=4 6996 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,0,0,1,0,0|1,0,1]=4 6997 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [1,0,0,1,0,0|0,1,1]=4 6998 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [1,0,0,1,0,0|0,1,1]=4 6999 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [1,0,0,1,0,0|1,0,1]=4 7000 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [1,0,0,1,0,0|1,0,1]=4 7001 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [1,0,0,1,0,0|1,0,1]=4 7002 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [1,0,0,1,0,0|1,0,1]=4 7003 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 7004 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 7005 B12R2.44 [13CH3]Oc1cnc2[nH]ccc2c1 34a_100000087691_200025704644 [1,0,0,1,0,0|1,0,1]=4 7006 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [1,0,0,1,0,0|0,1,1]=4 7007 B12R2.44 [13CH3]Sc1ccc2[nH]cnc2c1 62a_200025704644_100011265325 [1,0,0,1,0,0|1,1,0]=4 7008 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [1,0,0,1,0,0|1,1,0]=4 7009 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [1,0,0,1,0,0|1,1,0]=4 7010 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_100000691068_200025704644 [1,0,0,1,0,0|0,1,1]=4 7011 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_200025704644_100000691068 [1,0,0,1,0,0|0,1,1]=4 7012 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [1,0,0,1,0,0|2,0,0]=4 7013 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,0,0,1,1,0|2,0,0]=4 7014 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,1,0|1,0,0]=3 7015 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,1,0|1,0,0]=3 7016 B14R2.27 CSc1ccc(cc1)C2CC(=O)C2 62a_100000741321_200000210301 [0,0,0,1,0,1|1,1,0]=4 7017 B14R2.27 CSc1ccc(cc1)C2CC(=O)C2 62a_200000210301_100000741321 [0,0,0,1,0,1|1,1,0]=4 7018 B14R2.27 [13CH3]Sc1ccc(cc1)C2CC(=O)C2 62a_100000741321_200025704644 [0,0,0,1,0,1|1,1,0]=4 7019 B14R2.27 [13CH3]Sc1ccc(cc1)C2CC(=O)C2 62a_200025704644_100000741321 [0,0,0,1,0,1|1,1,0]=4 7020 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200000210301 [0,0,0,1,0,1|1,0,0]=3 7021 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200000210301 [0,0,0,1,0,1|1,0,0]=3 7022 B14R2.134 COc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200000210301 [0,0,0,1,0,1|2,0,0]=4 7023 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200000210301 [0,0,0,1,0,1|2,0,0]=4 7024 B14R2.134 COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200000210301 [0,0,0,1,0,1|2,0,0]=4 7025 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [0,0,0,1,0,1|2,0,0]=4 7026 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [0,0,0,1,0,1|2,0,0]=4 7027 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [0,0,0,1,0,1|2,0,0]=4 7028 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [0,0,0,1,0,1|2,0,0]=4 7029 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [0,0,0,1,0,1|2,0,0]=4 7030 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [0,0,0,1,0,1|2,0,0]=4 7031 B14R2.134 CSc1ccc2c(c1)CC(=O)CC2 62a_100010138410_200000210301 [0,0,0,1,0,1|1,1,0]=4 7032 B14R2.134 CSc1ccc2c(c1)CC(=O)CC2 62a_200000210301_100010138410 [0,0,0,1,0,1|1,1,0]=4 7033 B14R2.134 CSc1ccc2c(c1)NC(=O)NC2 62a_100010161048_200000210301 [0,0,0,1,0,1|1,1,0]=4 7034 B14R2.134 CSc1ccc2c(c1)NC(=O)NC2 62a_200000210301_100010161048 [0,0,0,1,0,1|1,1,0]=4 7035 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [0,0,0,1,0,1|2,0,0]=4 7036 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [0,0,0,1,0,1|2,0,0]=4 7037 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [0,0,0,1,0,1|2,0,0]=4 7038 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [0,0,0,1,0,1|2,0,0]=4 7039 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200025704644 [0,0,0,1,0,1|1,0,0]=3 7040 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200025704644 [0,0,0,1,0,1|1,0,0]=3 7041 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200025704644 [0,0,0,1,0,1|2,0,0]=4 7042 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200025704644 [0,0,0,1,0,1|2,0,0]=4 7043 B14R2.134 [13CH3]Oc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200025704644 [0,0,0,1,0,1|2,0,0]=4 7044 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [0,0,0,1,0,1|2,0,0]=4 7045 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [0,0,0,1,0,1|2,0,0]=4 7046 B14R2.134 [13CH3]Sc1ccc2c(c1)CC(=O)CC2 62a_100010138410_200025704644 [0,0,0,1,0,1|1,1,0]=4 7047 B14R2.134 [13CH3]Sc1ccc2c(c1)CC(=O)CC2 62a_200025704644_100010138410 [0,0,0,1,0,1|1,1,0]=4 7048 B14R2.134 [13CH3]Sc1ccc2c(c1)NC(=O)NC2 62a_100010161048_200025704644 [0,0,0,1,0,1|1,1,0]=4 7049 B14R2.134 [13CH3]Sc1ccc2c(c1)NC(=O)NC2 62a_200025704644_100010161048 [0,0,0,1,0,1|1,1,0]=4 7050 B14R2.328 COc1ccc(cc1)CNC2CC2 34a_100000185587_100000211595 [0,0,0,1,0,1|1,0,1]=4 7051 B14R2.328 COc1ccc(cc1)CNC2CC2 34a_100000212008_100000742318 [0,0,0,1,0,1|1,0,1]=4 7052 B14R2.328 COc1ccc(cc1)NCC2CC2 34a_100000184247_100000742324 [0,0,0,1,0,1|1,0,1]=4 7053 B14R2.328 COc1ccc(cc1)NCC2CO2 34a_100000184247_102125554688 [0,0,0,1,0,1|0,0,2]=4 7054 B14R2.331 COc1ccc(cc1)NC2CCC2 34a_100000184247_100000749161 [0,1,0,1,0,0|1,0,1]=4 7055 B14R2.331 COc1ccc(cc1)NC2COC2 34a_100000184247_100009818527 [0,1,0,1,0,0|0,0,2]=4 7056 B14R2.2332 C=Cc1ccc2c(c1)CCC(=O)N2 271570a_100011290941_100000754843 [0,1,0,1,0,0|1,0,1]=4 7057 B14R2.2332 C=Cc1ccc2c(c1)CNC(=O)N2 271570a_100011290941_100010171468 [0,1,0,1,0,0|1,0,1]=4 7058 B14R2.2332 C=Cc1ccc2c(c1)COC(=O)N2 271570a_100011290941_100010219366 [0,1,0,1,0,0|1,0,1]=4 7059 B14R2.2332 C=Cc1ccc2c(c1)NCC(=O)N2 271570a_100011290941_100000693460 [0,1,0,1,0,0|1,0,1]=4 7060 B14R2.2332 C=Cc1ccc2c(c1)OCC(=O)N2 271570a_100011290941_100000745508 [0,1,0,1,0,0|1,0,1]=4 7061 B14R2.2332 C=Cc1ccc2c(c1)SCC(=O)N2 271570a_100011290941_100011830382 [0,1,0,1,0,0|1,0,1]=4 7062 B14R2.2332 CNc1ccc2c(c1)CCC(=O)N2 34a_100000738032_200000210301 [0,1,0,1,0,0|1,0,0]=3 7063 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200000210301 [0,1,0,1,0,0|1,0,0]=3 7064 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200000210301 [0,1,0,1,0,0|1,0,0]=3 7065 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200000210301 [0,1,0,1,0,0|0,0,0]=2 7066 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [0,1,0,1,0,0|2,0,0]=4 7067 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [0,1,0,1,0,0|2,0,0]=4 7068 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [0,1,0,1,0,0|1,0,1]=4 7069 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [0,1,0,1,0,0|1,0,1]=4 7070 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [0,1,0,1,0,0|1,0,1]=4 7071 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [0,1,0,1,0,0|1,0,1]=4 7072 B14R2.2332 CSc1ccc2[nH]c(=O)ccc2c1 62a_200000210301_100011934725 [0,1,0,1,0,0|0,1,1]=4 7073 B14R2.2332 CSc1ccc2[nH]c(=O)cnc2c1 62a_200000210301_100010209493 [0,1,0,1,0,0|0,1,1]=4 7074 B14R2.2332 CSc1ccc2c(c1)CCC(=O)C2 62a_100000753102_200000210301 [0,1,0,1,0,0|1,1,0]=4 7075 B14R2.2332 CSc1ccc2c(c1)CCC(=O)C2 62a_200000210301_100000753102 [0,1,0,1,0,0|1,1,0]=4 7076 B14R2.2332 CSc1ccc2c(c1)CCC(=O)N2 62a_100000754843_200000210301 [0,1,0,1,0,0|0,1,0]=3 7077 B14R2.2332 CSc1ccc2c(c1)CCC(=O)N2 62a_200000210301_100000754843 [0,1,0,1,0,0|0,1,0]=3 7078 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200000210301 [0,1,0,1,0,0|1,1,0]=4 7079 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_200000210301_100010179853 [0,1,0,1,0,0|1,1,0]=4 7080 B14R2.2332 CSc1ccc2c(c1)CNC(=O)C2 62a_100010174877_200000210301 [0,1,0,1,0,0|1,1,0]=4 7081 B14R2.2332 CSc1ccc2c(c1)CNC(=O)N2 62a_200000210301_100010171468 [0,1,0,1,0,0|0,1,0]=3 7082 B14R2.2332 CSc1ccc2c(c1)NCC(=O)N2 62a_200000210301_100000693460 [0,1,0,1,0,0|0,1,0]=3 7083 B14R2.2332 CSc1ccc2c(n1)OCC(=O)N2 62a_200000210301_100010201792 [0,1,0,1,0,0|1,1,0]=4 7084 B14R2.2332 CSc1cnc2c(c1)CCC(=O)N2 62a_100010162403_200000210301 [0,1,0,1,0,0|1,1,0]=4 7085 B14R2.2332 CSc1cnc2c(c1)CCC(=O)N2 62a_200000210301_100010162403 [0,1,0,1,0,0|1,1,0]=4 7086 B14R2.2332 CSc1cnc2c(c1)OCC(=O)N2 62a_200000210301_100010209494 [0,1,0,1,0,0|1,1,0]=4 7087 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [0,1,0,1,0,0|2,0,0]=4 7088 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [0,1,0,1,0,0|2,0,0]=4 7089 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [0,1,0,1,0,0|1,0,1]=4 7090 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [0,1,0,1,0,0|1,0,1]=4 7091 B14R2.2332 [13CH3]Nc1ccc2c(c1)CCC(=O)N2 34a_100000738032_200025704644 [0,1,0,1,0,0|1,0,0]=3 7092 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200025704644 [0,1,0,1,0,0|1,0,0]=3 7093 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200025704644 [0,1,0,1,0,0|1,0,0]=3 7094 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200025704644 [0,1,0,1,0,0|0,0,0]=2 7095 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [0,1,0,1,0,0|1,0,1]=4 7096 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [0,1,0,1,0,0|1,0,1]=4 7097 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)ccc2c1 62a_200025704644_100011934725 [0,1,0,1,0,0|0,1,1]=4 7098 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)cnc2c1 62a_200025704644_100010209493 [0,1,0,1,0,0|0,1,1]=4 7099 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)C2 62a_100000753102_200025704644 [0,1,0,1,0,0|1,1,0]=4 7100 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)C2 62a_200025704644_100000753102 [0,1,0,1,0,0|1,1,0]=4 7101 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)N2 62a_100000754843_200025704644 [0,1,0,1,0,0|0,1,0]=3 7102 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)N2 62a_200025704644_100000754843 [0,1,0,1,0,0|0,1,0]=3 7103 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200025704644 [0,1,0,1,0,0|1,1,0]=4 7104 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_200025704644_100010179853 [0,1,0,1,0,0|1,1,0]=4 7105 B14R2.2332 [13CH3]Sc1ccc2c(c1)CNC(=O)C2 62a_100010174877_200025704644 [0,1,0,1,0,0|1,1,0]=4 7106 B14R2.2332 [13CH3]Sc1ccc2c(c1)CNC(=O)N2 62a_200025704644_100010171468 [0,1,0,1,0,0|0,1,0]=3 7107 B14R2.2332 [13CH3]Sc1ccc2c(c1)NCC(=O)N2 62a_200025704644_100000693460 [0,1,0,1,0,0|0,1,0]=3 7108 B14R2.2332 [13CH3]Sc1ccc2c(n1)OCC(=O)N2 62a_200025704644_100010201792 [0,1,0,1,0,0|1,1,0]=4 7109 B14R2.2332 [13CH3]Sc1cnc2c(c1)CCC(=O)N2 62a_100010162403_200025704644 [0,1,0,1,0,0|1,1,0]=4 7110 B14R2.2332 [13CH3]Sc1cnc2c(c1)CCC(=O)N2 62a_200025704644_100010162403 [0,1,0,1,0,0|1,1,0]=4 7111 B14R2.2332 [13CH3]Sc1cnc2c(c1)OCC(=O)N2 62a_200025704644_100010209494 [0,1,0,1,0,0|1,1,0]=4 7112 B14R2.3274 C=Cc1ccc2[nH]c(=O)n(c2c1)C 271570a_100011290941_100010393459 [0,1,0,1,0,0|1,0,1]=4 7113 B14R2.3274 C=Cc1ccc2c(c1)C(C(=O)N2)C 271570a_100011290941_100010251565 [0,1,0,1,0,0|1,0,1]=4 7114 B14R2.3274 CC1C(=O)Nc2c1cc(cc2)S[13CH3] 62a_200025704644_100010251565 [0,1,0,1,0,0|0,1,0]=3 7115 B14R2.3274 CN1C(=O)Cc2c1cc(cc2)S[13CH3] 62a_200025704644_100010285470 [0,1,0,1,0,0|1,1,0]=4 7116 B14R2.3274 CN1Cc2ccc(cc2C1=O)O[13CH3] 34a_100010264224_200025704644 [0,1,0,1,0,0|2,0,0]=4 7117 B14R2.3274 CN1Cc2ccc(cc2C1=O)O[13CH3] 7a_100010264224_200025704644 [0,1,0,1,0,0|2,0,0]=4 7118 B14R2.3274 COc1ccc2c(c1)C(=O)N(C2)C 34a_100010264224_200000210301 [0,1,0,1,0,0|2,0,0]=4 7119 B14R2.3274 COc1ccc2c(c1)C(=O)N(C2)C 7a_100010264224_200000210301 [0,1,0,1,0,0|2,0,0]=4 7120 B14R2.3274 CSc1ccc2[nH]c(c(c2c1)C)C 62a_200000210301_100012262263 [0,1,0,1,0,0|1,1,0]=4 7121 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200000210301 [0,1,0,1,0,0|0,1,1]=4 7122 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_200000210301_100000024671 [0,1,0,1,0,0|0,1,1]=4 7123 B14R2.3274 CSc1ccc2c(c1)C(C(=O)N2)C 62a_200000210301_100010251565 [0,1,0,1,0,0|0,1,0]=3 7124 B14R2.3274 CSc1ccc2c(c1)N(C(=O)C2)C 62a_200000210301_100010285470 [0,1,0,1,0,0|1,1,0]=4 7125 B14R2.3274 Cc1[nH]c2ccc(cc2c1C)S[13CH3] 62a_200025704644_100012262263 [0,1,0,1,0,0|1,1,0]=4 7126 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200025704644 [0,1,0,1,0,0|0,1,1]=4 7127 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_200025704644_100000024671 [0,1,0,1,0,0|0,1,1]=4 7128 B14R2.3304 CNc1nc2ccc(cc2s1)OC 27a_100102657272_100010195960 [0,1,0,1,0,0|0,1,1]=4 7129 B14R2.3304 COc1ccc2nc(sc2c1)SC 62a_200000210301_100010195960 [0,1,0,1,0,0|0,1,1]=4 7130 B14R2.3304 COc1ccc2nc(sc2c1)SC 7a_100009853011_200000210301 [0,1,0,1,0,0|0,1,1]=4 7131 B14R2.3304 COc1ccc2nc(sc2c1)S[13CH3] 62a_200025704644_100010195960 [0,1,0,1,0,0|0,1,1]=4 7132 B14R2.3304 CSc1ccc2[nH]c(cc2c1)C=O 62a_200000210301_100009820874 [0,1,0,1,0,0|0,1,1]=4 7133 B14R2.3304 CSc1ccc2[nH]c(nc2c1)CO 62a_100000698547_200000210301 [0,1,0,1,0,0|1,1,0]=4 7134 B14R2.3304 CSc1nc2ccc(cc2s1)O[13CH3] 7a_100009853011_200025704644 [0,1,0,1,0,0|0,1,1]=4 7135 B14R2.3304 [13CH3]Sc1ccc2[nH]c(cc2c1)C=O 62a_200025704644_100009820874 [0,1,0,1,0,0|0,1,1]=4 7136 B14R2.3304 [13CH3]Sc1ccc2[nH]c(nc2c1)CO 62a_100000698547_200025704644 [0,1,0,1,0,0|1,1,0]=4 7137 B14R2.1008 CC(=Cc1ccc2c(c1)CCO2)C 271570a_100102525489_100000729065 [0,1,0,1,0,0|2,0,0]=4 7138 B14R2.1008 CC(=Cc1ccc2c(c1)COC2)C 271570a_100102525489_100000698232 [0,1,0,1,0,0|2,0,0]=4 7139 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,1,0,1,0,0|2,0,0]=4 7140 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200000210301 [0,1,0,1,0,0|1,0,0]=3 7141 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,1,0,1,0,0|1,0,0]=3 7142 B14R2.1008 CC(=O)Cc1ccc2nonc2c1 1458a_100000070787_100000733437 [0,1,0,1,0,0|2,0,0]=4 7143 B14R2.1008 CC(=O)Cc1ccc2occc2c1 1458a_100000096804_200000210301 [0,1,0,1,0,0|1,0,1]=4 7144 B14R2.1008 CC(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200000210301 [0,1,0,1,0,0|1,0,1]=4 7145 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 11a_100011201678_100015343762 [0,1,0,1,0,0|1,0,1]=4 7146 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 1626a_100011201678_100015343762 [0,1,0,1,0,0|1,0,1]=4 7147 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 22a_100011201678_100000070787 [0,1,0,1,0,0|1,0,1]=4 7148 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 527a_100011201678_100103153847 [0,1,0,1,0,0|1,0,1]=4 7149 B14R2.1008 CC(=O)Nc1ccc2[nH]cnc2c1 1626a_100000185997_100015343762 [0,1,0,1,0,0|1,0,1]=4 7150 B14R2.1008 CC(=O)Nc1ccc2[nH]cnc2c1 22a_100000185997_100000070787 [0,1,0,1,0,0|1,0,1]=4 7151 B14R2.1008 CC(=O)Nc1ccc2[nH]cnc2c1 527a_100000185997_100103153847 [0,1,0,1,0,0|1,0,1]=4 7152 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 1626a_100000187683_100015343762 [0,1,0,1,0,0|1,0,1]=4 7153 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 22a_100000187683_100000070787 [0,1,0,1,0,0|1,0,1]=4 7154 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 527a_100000187683_100103153847 [0,1,0,1,0,0|1,0,1]=4 7155 B14R2.1008 CC(=O)Nc1ccc2[nH]nnc2c1 22a_100000747742_100000070787 [0,1,0,1,0,0|2,0,0]=4 7156 B14R2.1008 CC(=O)Nc1ccc2[nH]nnc2c1 527a_100000747742_100103153847 [0,1,0,1,0,0|2,0,0]=4 7157 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 11a_100000211504_100015343762 [0,1,0,1,0,0|1,0,0]=3 7158 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 1626a_100000211504_100015343762 [0,1,0,1,0,0|1,0,0]=3 7159 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 22a_100000211504_100000070787 [0,1,0,1,0,0|1,0,0]=3 7160 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 527a_100000211504_100103153847 [0,1,0,1,0,0|1,0,0]=3 7161 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 11a_100000736984_100015343762 [0,1,0,1,0,0|0,0,0]=2 7162 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100015343762 [0,1,0,1,0,0|0,0,0]=2 7163 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000070787 [0,1,0,1,0,0|0,0,0]=2 7164 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 527a_100000736984_100103153847 [0,1,0,1,0,0|0,0,0]=2 7165 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 11a_100011728444_100015343762 [0,1,0,1,0,0|0,0,0]=2 7166 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 1626a_100011728444_100015343762 [0,1,0,1,0,0|0,0,0]=2 7167 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 22a_100011728444_100000070787 [0,1,0,1,0,0|0,0,0]=2 7168 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 527a_100011728444_100103153847 [0,1,0,1,0,0|0,0,0]=2 7169 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,1,0,1,0,0|0,0,0]=2 7170 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,1,0,1,0,0|0,0,0]=2 7171 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,1,0,1,0,0|0,0,0]=2 7172 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,1,0,1,0,0|0,0,0]=2 7173 B14R2.1008 CC(=O)Nc1ccc2c[nH]nc2c1 22a_100000212142_100000070787 [0,1,0,1,0,0|2,0,0]=4 7174 B14R2.1008 CC(=O)Nc1ccc2c[nH]nc2c1 527a_100000212142_100103153847 [0,1,0,1,0,0|2,0,0]=4 7175 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 11a_100000743810_100015343762 [0,1,0,1,0,0|1,0,1]=4 7176 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 1626a_100000743810_100015343762 [0,1,0,1,0,0|1,0,1]=4 7177 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 22a_100000743810_100000070787 [0,1,0,1,0,0|1,0,1]=4 7178 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 527a_100000743810_100103153847 [0,1,0,1,0,0|1,0,1]=4 7179 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 11a_100000102395_100015343762 [0,1,0,1,0,0|1,0,1]=4 7180 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 1626a_100000102395_100015343762 [0,1,0,1,0,0|1,0,1]=4 7181 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 22a_100000102395_100000070787 [0,1,0,1,0,0|1,0,1]=4 7182 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 527a_100000102395_100103153847 [0,1,0,1,0,0|1,0,1]=4 7183 B14R2.1008 CC(=O)Nc1ccc2cnoc2c1 11a_100000084182_100015343762 [0,1,0,1,0,0|2,0,0]=4 7184 B14R2.1008 CC(=O)Nc1ccc2cnoc2c1 1626a_100000084182_100015343762 [0,1,0,1,0,0|2,0,0]=4 7185 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 11a_100011248239_100015343762 [0,1,0,1,0,0|1,0,1]=4 7186 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 1626a_100011248239_100015343762 [0,1,0,1,0,0|1,0,1]=4 7187 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 527a_100011248239_100103153847 [0,1,0,1,0,0|1,0,1]=4 7188 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 11a_100011215093_100015343762 [0,1,0,1,0,0|1,0,1]=4 7189 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 1626a_100011215093_100015343762 [0,1,0,1,0,0|1,0,1]=4 7190 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 22a_100011215093_100000070787 [0,1,0,1,0,0|1,0,1]=4 7191 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 527a_100011215093_100103153847 [0,1,0,1,0,0|1,0,1]=4 7192 B14R2.1008 CC(=O)Nc1ccc2nnsc2c1 11a_100009955171_100015343762 [0,1,0,1,0,0|2,0,0]=4 7193 B14R2.1008 CC(=O)Nc1ccc2nnsc2c1 1626a_100009955171_100015343762 [0,1,0,1,0,0|2,0,0]=4 7194 B14R2.1008 CC(=O)Nc1ccc2nnsc2c1 22a_100009955171_100000070787 [0,1,0,1,0,0|2,0,0]=4 7195 B14R2.1008 CC(=O)Nc1ccc2nsnc2c1 11a_100000042151_100015343762 [0,1,0,1,0,0|1,1,0]=4 7196 B14R2.1008 CC(=O)Nc1ccc2nsnc2c1 1626a_100000042151_100015343762 [0,1,0,1,0,0|1,1,0]=4 7197 B14R2.1008 CC(=O)Nc1ccc2nsnc2c1 22a_100000042151_100000070787 [0,1,0,1,0,0|1,1,0]=4 7198 B14R2.1008 CC(=O)Nc1ccc2nsnc2c1 527a_100000042151_100103153847 [0,1,0,1,0,0|1,1,0]=4 7199 B14R2.1008 CC(=O)Nc1ccc2occc2c1 11a_106430523501_100015343762 [0,1,0,1,0,0|0,0,1]=3 7200 B14R2.1008 CC(=O)Nc1ccc2occc2c1 1626a_106430523501_100015343762 [0,1,0,1,0,0|0,0,1]=3 7201 B14R2.1008 CC(=O)Nc1ccc2occc2c1 22a_106430523501_100000070787 [0,1,0,1,0,0|0,0,1]=3 7202 B14R2.1008 CC(=O)Nc1ccc2occc2c1 527a_106430523501_100103153847 [0,1,0,1,0,0|0,0,1]=3 7203 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 11a_100011219863_100015343762 [0,1,0,1,0,0|0,0,1]=3 7204 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 1626a_100011219863_100015343762 [0,1,0,1,0,0|0,0,1]=3 7205 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 527a_100011219863_100103153847 [0,1,0,1,0,0|0,0,1]=3 7206 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 11a_100000037595_100015343762 [0,1,0,1,0,0|0,0,1]=3 7207 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 1626a_100000037595_100015343762 [0,1,0,1,0,0|0,0,1]=3 7208 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 11a_100000681076_100015343762 [0,1,0,1,0,0|0,1,1]=4 7209 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 1626a_100000681076_100015343762 [0,1,0,1,0,0|0,1,1]=4 7210 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 22a_100000681076_100000070787 [0,1,0,1,0,0|0,1,1]=4 7211 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 527a_100000681076_100103153847 [0,1,0,1,0,0|0,1,1]=4 7212 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 11a_100000047738_100015343762 [0,1,0,1,0,0|0,1,1]=4 7213 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 1626a_100000047738_100015343762 [0,1,0,1,0,0|0,1,1]=4 7214 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 22a_100000047738_100000070787 [0,1,0,1,0,0|0,1,1]=4 7215 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 527a_100000047738_100103153847 [0,1,0,1,0,0|0,1,1]=4 7216 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 11a_100000077742_100015343762 [0,1,0,1,0,0|0,1,1]=4 7217 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 1626a_100000077742_100015343762 [0,1,0,1,0,0|0,1,1]=4 7218 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 22a_100000077742_100000070787 [0,1,0,1,0,0|0,1,1]=4 7219 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 527a_100000077742_100103153847 [0,1,0,1,0,0|0,1,1]=4 7220 B14R2.1008 CC(C)Nc1ccc2c(c1)CCO2 2230a_100000736984_100000210206 [0,1,0,1,0,0|1,0,1]=4 7221 B14R2.1008 CC(C)Nc1ccc2c(c1)CCO2 34a_100000736984_100000210206 [0,1,0,1,0,0|1,0,1]=4 7222 B14R2.1008 CC(C)Nc1ccc2c(c1)COC2 2230a_100011728444_100000210206 [0,1,0,1,0,0|1,0,1]=4 7223 B14R2.1008 CC(C)Nc1ccc2c(c1)COC2 34a_100011728444_100000210206 [0,1,0,1,0,0|1,0,1]=4 7224 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 2230a_100000209953_100000210206 [0,1,0,1,0,0|1,0,1]=4 7225 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 34a_100000209953_100000210206 [0,1,0,1,0,0|1,0,1]=4 7226 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200025704644 [0,1,0,1,0,0|1,0,0]=3 7227 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,1,0,1,0,0|1,0,0]=3 7228 B14R2.1008 [13CH3]C(=O)Cc1ccc2occc2c1 1458a_100000096804_200025704644 [0,1,0,1,0,0|1,0,1]=4 7229 B14R2.1008 [13CH3]C(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200025704644 [0,1,0,1,0,0|1,0,1]=4 7230 B14R2.1197 C=Cc1cc2c(cc1C)NC(=O)C2 271570a_100011290941_100010201617 [0,1,0,1,0,0|1,0,1]=4 7231 B14R2.1197 C=Cc1cc2c(cc1Cl)NC(=O)C2 271570a_100011290941_100012929135 [0,1,0,1,0,0|1,0,1]=4 7232 B14R2.1197 C=Cc1cc2c(cc1F)NC(=O)C2 271570a_100011290941_100000727509 [0,1,0,1,0,0|1,0,1]=4 7233 B14R2.1197 CSc1cc2[nH]c(=O)[nH]c2cc1C 62a_200000210301_100010107294 [0,1,0,1,0,0|1,1,0]=4 7234 B14R2.1197 CSc1cc2c(cc1C)NC(=O)C2 62a_200000210301_100010201617 [0,1,0,1,0,0|0,1,0]=3 7235 B14R2.1197 CSc1cc2c(cc1Cl)NC(=O)C2 62a_200000210301_100012929135 [0,1,0,1,0,0|0,1,0]=3 7236 B14R2.1197 CSc1cc2c(cc1F)NC(=O)C2 62a_200000210301_100000727509 [0,1,0,1,0,0|0,1,0]=3 7237 B14R2.1197 CSc1cc2cc([nH]c2cc1F)C 62a_200000210301_200010763346 [0,1,0,1,0,0|1,1,0]=4 7238 B14R2.1197 CSc1cc2nc([nH]c2cc1F)C 62a_100000733457_200000210301 [0,1,0,1,0,0|1,1,0]=4 7239 B14R2.1197 CSc1cc2nc([nH]c2cc1F)C 62a_200000210301_100000733457 [0,1,0,1,0,0|1,1,0]=4 7240 B14R2.1197 Cc1cc2[nH]c(=O)[nH]c2cc1S[13CH3] 62a_200025704644_100010107294 [0,1,0,1,0,0|1,1,0]=4 7241 B14R2.1197 Cc1cc2c(cc1S[13CH3])CC(=O)N2 62a_200025704644_100010201617 [0,1,0,1,0,0|0,1,0]=3 7242 B14R2.1197 Cc1cc2cc(c(cc2[nH]1)F)S[13CH3] 62a_200025704644_200010763346 [0,1,0,1,0,0|1,1,0]=4 7243 B14R2.1197 Cc1nc2cc(c(cc2[nH]1)F)S[13CH3] 62a_100000733457_200025704644 [0,1,0,1,0,0|1,1,0]=4 7244 B14R2.1197 Cc1nc2cc(c(cc2[nH]1)F)S[13CH3] 62a_200025704644_100000733457 [0,1,0,1,0,0|1,1,0]=4 7245 B14R2.1197 [13CH3]Sc1cc2c(cc1Cl)NC(=O)C2 62a_200025704644_100012929135 [0,1,0,1,0,0|0,1,0]=3 7246 B14R2.1197 [13CH3]Sc1cc2c(cc1F)NC(=O)C2 62a_200025704644_100000727509 [0,1,0,1,0,0|0,1,0]=3 7247 B14R2.3063 COc1ccc(cc1Br)NC2CC2 34a_100000187427_100000211595 [0,1,0,1,0,0|1,0,1]=4 7248 B14R2.3063 COc1ccc(cc1C)NC2CC2 34a_100000743268_100000211595 [0,1,0,1,0,0|1,0,1]=4 7249 B14R2.3063 COc1ccc(cc1Cl)NC2CC2 34a_100000211044_100000211595 [0,1,0,1,0,0|1,0,1]=4 7250 B14R2.3063 COc1ccc(cc1F)NC2CC2 34a_100000740183_100000211595 [0,1,0,1,0,0|1,0,1]=4 7251 B14R2.3063 COc1ccc(cc1I)NC2CC2 34a_100011356947_100000211595 [0,1,0,1,0,0|1,0,1]=4 7252 B14R2.3063 COc1ccc(cc1O)NC2CC2 34a_100000211920_100000211595 [0,1,0,1,0,0|1,0,1]=4 7253 B14R2.3302 CNc1ccc2[nH]c(cc2c1F)C 34a_200000094433_200000210301 [0,1,0,1,0,0|2,0,0]=4 7254 B14R2.3302 COc1ccc2[nH]c(cc2c1F)C 34a_100000085321_200000210301 [0,1,0,1,0,0|1,0,0]=3 7255 B14R2.3302 COc1ccc2[nH]c(cc2c1F)C 7a_100000085321_200000210301 [0,1,0,1,0,0|1,0,0]=3 7256 B14R2.3302 Cc1cc2c(c(ccc2[nH]1)N[13CH3])F 34a_200000094433_200025704644 [0,1,0,1,0,0|2,0,0]=4 7257 B14R2.3302 Cc1cc2c(c(ccc2[nH]1)O[13CH3])F 34a_100000085321_200025704644 [0,1,0,1,0,0|1,0,0]=3 7258 B14R2.3302 Cc1cc2c(c(ccc2[nH]1)O[13CH3])F 7a_100000085321_200025704644 [0,1,0,1,0,0|1,0,0]=3 7259 B14R2.329 COc1ccc(cc1)N(C)C2CC2 269982a_100000220023_100000211595 [0,1,0,1,0,0|1,0,1]=4 7260 B14R2.329 COc1ccc(cc1)N(C)C2CC2 34a_100000220023_100000211595 [0,1,0,1,0,0|1,0,1]=4 7261 B14R2.1815 C=Cc1ccc2c(c1)CC(=O)N2C 271570a_100011290941_100000183948 [0,1,0,1,0,0|1,0,1]=4 7262 B14R2.1815 CN1C(=O)Cc2c1ccc(c2)S[13CH3] 62a_200025704644_100000183948 [0,1,0,1,0,0|0,1,0]=3 7263 B14R2.1815 CNc1ccc2c(c1)nc(n2C)C 34a_100000186680_200000210301 [0,1,0,1,0,0|2,0,0]=4 7264 B14R2.1815 COc1ccc2c(c1)cc(n2C)C 34a_100000079728_200000210301 [0,1,0,1,0,0|1,0,0]=3 7265 B14R2.1815 COc1ccc2c(c1)cc(n2C)C 7a_100000079728_200000210301 [0,1,0,1,0,0|1,0,0]=3 7266 B14R2.1815 CSc1ccc2c(c1)CC(=O)N2C 62a_200000210301_100000183948 [0,1,0,1,0,0|0,1,0]=3 7267 B14R2.1815 CSc1ccc2c(c1)nc(n2C)C 62a_100000729442_200000210301 [0,1,0,1,0,0|1,1,0]=4 7268 B14R2.1815 CSc1ccc2c(c1)nc(n2C)C 62a_200000210301_100000729442 [0,1,0,1,0,0|1,1,0]=4 7269 B14R2.1815 Cc1cc2cc(ccc2n1C)O[13CH3] 34a_100000079728_200025704644 [0,1,0,1,0,0|1,0,0]=3 7270 B14R2.1815 Cc1cc2cc(ccc2n1C)O[13CH3] 7a_100000079728_200025704644 [0,1,0,1,0,0|1,0,0]=3 7271 B14R2.1815 Cc1nc2cc(ccc2n1C)N[13CH3] 34a_100000186680_200025704644 [0,1,0,1,0,0|2,0,0]=4 7272 B14R2.1815 Cc1nc2cc(ccc2n1C)S[13CH3] 62a_100000729442_200025704644 [0,1,0,1,0,0|1,1,0]=4 7273 B14R2.1815 Cc1nc2cc(ccc2n1C)S[13CH3] 62a_200025704644_100000729442 [0,1,0,1,0,0|1,1,0]=4 7274 B14R2.1006 CC(=O)Cc1ccc(cc1)C2CC2 271570a_100011220607_100000691760 [0,1,0,1,0,0|2,0,0]=4 7275 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 11a_100016991203_100015343762 [0,1,0,1,0,0|1,0,0]=3 7276 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 1626a_100016991203_100015343762 [0,1,0,1,0,0|1,0,0]=3 7277 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 22a_100016991203_100000070787 [0,1,0,1,0,0|1,0,0]=3 7278 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 271570a_100011220607_100000155215 [0,1,0,1,0,0|1,0,0]=3 7279 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 527a_100016991203_100103153847 [0,1,0,1,0,0|1,0,0]=3 7280 B14R2.1006 CC(=O)Nc1ccc(cn1)C2CC2 271570a_100011220607_100000193312 [0,1,0,1,0,0|2,0,0]=4 7281 B14R2.1006 CC(=O)Nc1ccc(nc1)C2CC2 271570a_100011220607_100011934715 [0,1,0,1,0,0|2,0,0]=4 7282 B14R2.1006 CC(=O)Oc1ccc(cc1)C2CC2 271570a_100011220607_100000002173 [0,1,0,1,0,0|2,0,0]=4 7283 B14R2.1006 CC(=O)Sc1ccc(cc1)C2CC2 271570a_100011220607_200009995050 [0,1,0,1,0,0|2,0,0]=4 7284 B14R2.1006 NC(=O)Nc1ccc(cc1)C2CC2 271570a_100011220607_100000198584 [0,1,0,1,0,0|2,0,0]=4 7285 B14R2.4442 CCOc1ccc(cc1)NC2CC2 34a_100000739623_100000211595 [0,1,0,1,0,0|1,0,1]=4 7286 B14R2.4442 COCc1ccc(cc1)NC2CC2 34a_100000694113_100000211595 [0,1,0,1,0,0|1,0,1]=4 7287 B14R2.6400 C=C=Cc1ccc2c(c1)CC(=O)N2 271570a_100015277604_100000754858 [0,1,0,1,0,0|1,0,1]=4 7288 B14R2.6400 CC=Cc1cc2c(cn1)NC(=O)C2 271570a_100016259895_100000104063 [0,1,0,1,0,0|2,0,0]=4 7289 B14R2.6400 CC=Cc1ccc2[nH]c(=O)[nH]c2c1 271570a_100016259895_100011221360 [0,1,0,1,0,0|2,0,0]=4 7290 B14R2.6400 CC=Cc1ccc2[nH]c(=O)oc2c1 271570a_100016259895_100000697996 [0,1,0,1,0,0|2,0,0]=4 7291 B14R2.6400 CC=Cc1ccc2[nH]c(=O)sc2c1 271570a_100016259895_100009813980 [0,1,0,1,0,0|2,0,0]=4 7292 B14R2.6400 CC=Cc1ccc2[nH]c(cc2c1)C 271570a_100016259895_100011214893 [0,1,0,1,0,0|2,0,0]=4 7293 B14R2.6400 CC=Cc1ccc2[nH]c(nc2c1)C 271570a_100016259895_100011264012 [0,1,0,1,0,0|2,0,0]=4 7294 B14R2.6400 CC=Cc1ccc2c(c1)CC(=O)C2 271570a_100016259895_100010185598 [0,1,0,1,0,0|2,0,0]=4 7295 B14R2.6400 CC=Cc1ccc2c(c1)CC(=O)N2 271570a_100016259895_100000754858 [0,1,0,1,0,0|1,0,0]=3 7296 B14R2.6400 CC=Cc1ccc2c(n1)CC(=O)N2 271570a_100016259895_100000087150 [0,1,0,1,0,0|2,0,0]=4 7297 B14R2.6400 CC=Cc1cnc2c(c1)CC(=O)N2 271570a_100016259895_100010177629 [0,1,0,1,0,0|2,0,0]=4 7298 B14R2.6400 CCOc1ccc2[nH]c(=O)oc2c1 7a_200000068749_100000210202 [0,1,0,1,0,0|1,0,0]=3 7299 B14R2.6400 CCOc1ccc2[nH]c(cc2c1)C 34a_100000073708_100000210202 [0,1,0,1,0,0|1,0,0]=3 7300 B14R2.6400 CCOc1ccc2[nH]c(cc2c1)C 7a_100000073708_100000210202 [0,1,0,1,0,0|1,0,0]=3 7301 B14R2.6400 CCOc1ccc2c(c1)CC(=O)O2 34a_100000035078_100000210202 [0,1,0,1,0,0|1,0,0]=3 7302 B14R2.6400 CCOc1ccc2c(c1)CC(=O)O2 7a_100000035078_100000210202 [0,1,0,1,0,0|1,0,0]=3 7303 B14R2.6400 CCOc1ccc2cc([nH]c2c1)C 34a_100000058111_100000210202 [0,1,0,1,0,0|2,0,0]=4 7304 B14R2.6400 CCOc1ccc2cc(oc2c1)C 34a_100000095638_100000210202 [0,1,0,1,0,0|1,0,1]=4 7305 B14R2.6400 CCOc1ccc2cc(oc2c1)C 7a_100000095638_100000210202 [0,1,0,1,0,0|1,0,1]=4 7306 B14R2.6400 CCOc1ccc2nc(oc2c1)C 34a_100000116946_100000210202 [0,1,0,1,0,0|0,0,2]=4 7307 B14R2.6400 CCOc1ccc2nc(oc2c1)C 7a_100000116946_100000210202 [0,1,0,1,0,0|0,0,2]=4 7308 B14R2.6400 CCOc1ccc2nc(sc2c1)C 34a_100000008955_100000210202 [0,1,0,1,0,0|0,1,1]=4 7309 B14R2.6400 CCOc1ccc2nc(sc2c1)C 7a_100000008955_100000210202 [0,1,0,1,0,0|0,1,1]=4 7310 B14R2.6400 CCOc1ccc2oc(nc2c1)C 34a_100000102623_100000210202 [0,1,0,1,0,0|2,0,0]=4 7311 B14R2.6400 CCOc1ccc2oc(nc2c1)C 7a_100000102623_100000210202 [0,1,0,1,0,0|2,0,0]=4 7312 B14R2.6400 CCOc1ccc2sc(nc2c1)C 34a_100000031546_100000210202 [0,1,0,1,0,0|2,0,0]=4 7313 B14R2.6400 CCOc1ccc2sc(nc2c1)C 7a_100000031546_100000210202 [0,1,0,1,0,0|2,0,0]=4 7314 B14R2.6400 CCSc1cc2c(cn1)NC(=O)C2 62a_100000210202_100000104063 [0,1,0,1,0,0|1,1,0]=4 7315 B14R2.6400 CCSc1ccc2[nH]c(=O)[nH]c2c1 62a_100000210202_200011356815 [0,1,0,1,0,0|1,1,0]=4 7316 B14R2.6400 CCSc1ccc2[nH]c(=O)oc2c1 62a_100000210202_100000697996 [0,1,0,1,0,0|1,1,0]=4 7317 B14R2.6400 CCSc1ccc2[nH]c(cc2c1)C 62a_100000210202_100011214893 [0,1,0,1,0,0|1,1,0]=4 7318 B14R2.6400 CCSc1ccc2[nH]c(nc2c1)C 62a_100000210202_100011264012 [0,1,0,1,0,0|1,1,0]=4 7319 B14R2.6400 CCSc1ccc2c(c1)CC(=O)C2 62a_100010185598_100000210202 [0,1,0,1,0,0|1,1,0]=4 7320 B14R2.6400 CCSc1ccc2c(c1)CC(=O)N2 62a_100000210202_100000754858 [0,1,0,1,0,0|0,1,0]=3 7321 B14R2.6400 CCSc1ccc2c(n1)CC(=O)N2 62a_100000210202_100000087150 [0,1,0,1,0,0|1,1,0]=4 7322 B14R2.6400 CCSc1cnc2c(c1)CC(=O)N2 62a_100000210202_100010177629 [0,1,0,1,0,0|1,1,0]=4 7323 B14R2.6400 CNCc1ccc2[nH]c(=O)[nH]c2c1 207a_100102657272_100000709728 [0,1,0,1,0,0|2,0,0]=4 7324 B14R2.6400 CNCc1ccc2[nH]c(=O)[nH]c2c1 2230a_100000697230_200000210301 [0,1,0,1,0,0|2,0,0]=4 7325 B14R2.6400 CNCc1ccc2[nH]c(=O)[nH]c2c1 270004a_106832991635_100000709728 [0,1,0,1,0,0|2,0,0]=4 7326 B14R2.6400 CNCc1ccc2[nH]c(cc2c1)C 207a_100102657272_100000050725 [0,1,0,1,0,0|2,0,0]=4 7327 B14R2.6400 CNCc1ccc2[nH]c(cc2c1)C 270004a_106832991635_100000050725 [0,1,0,1,0,0|2,0,0]=4 7328 B14R2.6400 CNCc1ccc2c(c1)CC(=O)O2 26a_100102657272_100000035078 [0,1,0,1,0,0|2,0,0]=4 7329 B14R2.6400 COCc1ccc2nc(oc2c1)C 34a_100010326561_200000210301 [0,1,0,1,0,0|0,0,2]=4 7330 B14R2.6400 COCc1ccc2nc(oc2c1)C 7a_100010326561_200000210301 [0,1,0,1,0,0|0,0,2]=4 7331 B14R2.6400 COCc1ccc2oc(nc2c1)C 34a_200009878806_200000210301 [0,1,0,1,0,0|2,0,0]=4 7332 B14R2.6400 COCc1ccc2oc(nc2c1)C 7a_200009878806_200000210301 [0,1,0,1,0,0|2,0,0]=4 7333 B14R2.6400 Cc1cc2cc(ccc2[nH]1)OCF 34a_100000073708_100015361967 [0,1,0,1,0,0|1,0,0]=3 7334 B14R2.6400 Cc1cc2cc(ccc2[nH]1)OCF 7a_100000073708_100015361967 [0,1,0,1,0,0|1,0,0]=3 7335 B14R2.6400 Cc1cc2cc(ccc2[nH]1)SCF 62a_100015361967_100011214893 [0,1,0,1,0,0|1,1,0]=4 7336 B14R2.6400 Cc1cc2ccc(cc2[nH]1)OCF 34a_100000058111_100015361967 [0,1,0,1,0,0|2,0,0]=4 7337 B14R2.6400 Cc1cc2ccc(cc2o1)OCF 34a_100000095638_100015361967 [0,1,0,1,0,0|1,0,1]=4 7338 B14R2.6400 Cc1cc2ccc(cc2o1)OCF 7a_100000095638_100015361967 [0,1,0,1,0,0|1,0,1]=4 7339 B14R2.6400 Cc1nc2cc(ccc2[nH]1)SCF 62a_100015361967_100011264012 [0,1,0,1,0,0|1,1,0]=4 7340 B14R2.6400 Cc1nc2cc(ccc2o1)CO[13CH3] 34a_200009878806_200025704644 [0,1,0,1,0,0|2,0,0]=4 7341 B14R2.6400 Cc1nc2cc(ccc2o1)CO[13CH3] 7a_200009878806_200025704644 [0,1,0,1,0,0|2,0,0]=4 7342 B14R2.6400 Cc1nc2cc(ccc2o1)OCF 34a_100000102623_100015361967 [0,1,0,1,0,0|2,0,0]=4 7343 B14R2.6400 Cc1nc2cc(ccc2o1)OCF 7a_100000102623_100015361967 [0,1,0,1,0,0|2,0,0]=4 7344 B14R2.6400 Cc1nc2cc(ccc2s1)OCF 34a_100000031546_100015361967 [0,1,0,1,0,0|2,0,0]=4 7345 B14R2.6400 Cc1nc2cc(ccc2s1)OCF 7a_100000031546_100015361967 [0,1,0,1,0,0|2,0,0]=4 7346 B14R2.6400 Cc1nc2ccc(cc2o1)CO[13CH3] 34a_100010326561_200025704644 [0,1,0,1,0,0|0,0,2]=4 7347 B14R2.6400 Cc1nc2ccc(cc2o1)CO[13CH3] 7a_100010326561_200025704644 [0,1,0,1,0,0|0,0,2]=4 7348 B14R2.6400 Cc1nc2ccc(cc2o1)OCF 34a_100000116946_100015361967 [0,1,0,1,0,0|0,0,2]=4 7349 B14R2.6400 Cc1nc2ccc(cc2o1)OCF 7a_100000116946_100015361967 [0,1,0,1,0,0|0,0,2]=4 7350 B14R2.6400 Cc1nc2ccc(cc2s1)OCF 34a_100000008955_100015361967 [0,1,0,1,0,0|0,1,1]=4 7351 B14R2.6400 Cc1nc2ccc(cc2s1)OCF 7a_100000008955_100015361967 [0,1,0,1,0,0|0,1,1]=4 7352 B14R2.6400 O=C1Cc2cc(ccc2N1)SCF 62a_100015361967_100000754858 [0,1,0,1,0,0|0,1,0]=3 7353 B14R2.6400 O=C1Cc2cc(ccc2O1)OCF 34a_100000035078_100015361967 [0,1,0,1,0,0|1,0,0]=3 7354 B14R2.6400 O=C1Cc2cc(ccc2O1)OCF 7a_100000035078_100015361967 [0,1,0,1,0,0|1,0,0]=3 7355 B14R2.6400 O=C1Cc2cc(cnc2N1)SCF 62a_100015361967_100010177629 [0,1,0,1,0,0|1,1,0]=4 7356 B14R2.6400 O=C1Cc2cc(ncc2N1)SCF 62a_100015361967_100000104063 [0,1,0,1,0,0|1,1,0]=4 7357 B14R2.6400 O=C1Cc2ccc(cc2C1)SCF 62a_100010185598_100015361967 [0,1,0,1,0,0|1,1,0]=4 7358 B14R2.6400 O=C1Cc2nc(ccc2N1)SCF 62a_100015361967_100000087150 [0,1,0,1,0,0|1,1,0]=4 7359 B14R2.6400 O=c1[nH]c2ccc(cc2[nH]1)SCF 62a_100015361967_200011356815 [0,1,0,1,0,0|1,1,0]=4 7360 B14R2.6400 O=c1[nH]c2ccc(cc2o1)OCF 7a_200000068749_100015361967 [0,1,0,1,0,0|1,0,0]=3 7361 B14R2.6400 O=c1[nH]c2ccc(cc2o1)SCF 62a_100015361967_100000697996 [0,1,0,1,0,0|1,1,0]=4 7362 B14R2.6400 [13CH3]NCc1ccc2[nH]c(=O)[nH]c2c1 2230a_100000697230_200025704644 [0,1,0,1,0,0|2,0,0]=4 7363 B14R2.601 C=C(C)c1cc2c(cn1)NC(=O)C2 271570a_100000694244_100000104063 [0,1,0,1,0,0|2,0,0]=4 7364 B14R2.601 C=C(C)c1ccc2[nH]c(=O)[nH]c2c1 271570a_100000694244_100011221360 [0,1,0,1,0,0|2,0,0]=4 7365 B14R2.601 C=C(C)c1ccc2[nH]c(=O)oc2c1 271570a_100000694244_100000697996 [0,1,0,1,0,0|2,0,0]=4 7366 B14R2.601 C=C(C)c1ccc2[nH]c(=O)sc2c1 271570a_100000694244_100009813980 [0,1,0,1,0,0|2,0,0]=4 7367 B14R2.601 C=C(C)c1ccc2[nH]c(cc2c1)C 271570a_100000694244_100011214893 [0,1,0,1,0,0|2,0,0]=4 7368 B14R2.601 C=C(C)c1ccc2[nH]c(nc2c1)C 271570a_100000694244_100011264012 [0,1,0,1,0,0|2,0,0]=4 7369 B14R2.601 C=C(C)c1ccc2c(c1)CC(=O)C2 271570a_100000694244_100010185598 [0,1,0,1,0,0|2,0,0]=4 7370 B14R2.601 C=C(C)c1ccc2c(c1)CC(=O)N2 271570a_100000694244_100000754858 [0,1,0,1,0,0|1,0,0]=3 7371 B14R2.601 C=C(C)c1ccc2c(n1)CC(=O)N2 271570a_100000694244_100000087150 [0,1,0,1,0,0|2,0,0]=4 7372 B14R2.601 C=C(C)c1cnc2c(c1)CC(=O)N2 271570a_100000694244_100010177629 [0,1,0,1,0,0|2,0,0]=4 7373 B14R2.601 CC(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200000210301 [0,1,0,1,0,0|2,0,0]=4 7374 B14R2.601 CC(=O)c1ccc2[nH]c(cc2c1)C 1458a_100000044770_200000210301 [0,1,0,1,0,0|2,0,0]=4 7375 B14R2.601 CC(=O)c1ccc2[nH]c(nc2c1)C 1458a_100000698315_200000210301 [0,1,0,1,0,0|2,0,0]=4 7376 B14R2.601 Cc1cc2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000044770_200025704644 [0,1,0,1,0,0|2,0,0]=4 7377 B14R2.601 Cc1nc2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000698315_200025704644 [0,1,0,1,0,0|2,0,0]=4 7378 B14R2.601 [13CH3]C(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200025704644 [0,1,0,1,0,0|2,0,0]=4 7379 B14R2.2500 COc1ccc(c(c1)Br)NC2CC2 34a_100015195136_100000211595 [0,1,0,1,0,0|1,0,1]=4 7380 B14R2.2500 COc1ccc(c(c1)C)NC2CC2 34a_100000750285_100000211595 [0,1,0,1,0,0|1,0,1]=4 7381 B14R2.2500 COc1ccc(c(c1)Cl)NC2CC2 34a_100000747055_100000211595 [0,1,0,1,0,0|1,0,1]=4 7382 B14R2.2500 COc1ccc(c(c1)F)NC2CC2 34a_100011299463_100000211595 [0,1,0,1,0,0|1,0,1]=4 7383 B14R2.2500 COc1ccc(c(c1)I)NC2CC2 34a_100000049804_100000211595 [0,1,0,1,0,0|1,0,1]=4 7384 B14R2.2500 COc1ccc(c(c1)O)NC2CC2 34a_100016989039_100000211595 [0,1,0,1,0,0|1,0,1]=4 7385 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,1,0|2,0,0]=4 7386 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,1,0|1,0,0]=3 7387 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,1,0|2,0,0]=4 7388 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,1,0|2,0,0]=4 7389 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,1,0|2,0,0]=4 7390 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,1,0|1,0,0]=3 7391 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,1,0|1,0,0]=3 7392 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,1,0|2,0,0]=4 7393 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,1,0|2,0,0]=4 7394 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,1,0|2,0,0]=4 7395 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,1,0|1,0,0]=3 7396 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,1,0|0,0,0]=2 7397 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,1,0|1,0,0]=3 7398 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,1,0|1,0,0]=3 7399 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,1,0|1,0,0]=3 7400 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,1,0|0,0,0]=2 7401 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,1,0|0,0,0]=2 7402 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,1,0|1,0,0]=3 7403 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,1,0|1,0,0]=3 7404 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,0,0,0,1,0|2,0,0]=4 7405 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,0,0,0,1,0|2,0,0]=4 7406 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,0,0,0,1,0|2,0,0]=4 7407 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,1,0|1,0,1]=4 7408 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,1,0|0,0,2]=4 7409 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,1,0|2,0,0]=4 7410 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,1,0|2,0,0]=4 7411 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,1,0|2,0,0]=4 7412 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,1,0|2,0,0]=4 7413 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,1,0|2,0,0]=4 7414 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,1,0|1,0,0]=3 7415 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,1,0|1,0,1]=4 7416 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,1,0|1,0,1]=4 7417 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,1,0|0,0,0]=2 7418 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,1,0|2,0,0]=4 7419 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,1,0|2,0,0]=4 7420 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,1,0|2,0,0]=4 7421 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,1,0|2,0,0]=4 7422 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,1,0|2,0,0]=4 7423 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,1,0|2,0,0]=4 7424 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,1,0|1,0,0]=3 7425 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,1,0|2,0,0]=4 7426 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,1,0|2,0,0]=4 7427 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,1,0|1,0,0]=3 7428 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,1,0|1,0,0]=3 7429 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,1,0|1,0,0]=3 7430 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,1,0|1,0,0]=3 7431 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,1,0|0,0,0]=2 7432 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [1,0,0,0,1,0|1,0,0]=3 7433 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [1,0,0,0,1,0|2,0,0]=4 7434 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,0,0,0,2,0|1,1,0]=4 7435 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,0,0,0,2,0|1,1,0]=4 7436 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,0,0,0,2,0|1,1,0]=4 7437 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,0,0,0,2,0|1,1,0]=4 7438 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,0,0,0,2,0|1,1,0]=4 7439 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,0,0,0,2,0|1,1,0]=4 7440 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,0,0,0,2,0|1,1,0]=4 7441 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,0,0,0,2,0|1,1,0]=4 7442 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,0,0,0,2,0|1,1,0]=4 7443 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,0,0,0,2,0|1,1,0]=4 7444 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,0,0,0,2,0|1,1,0]=4 7445 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,0,0,0,2,0|1,1,0]=4 7446 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,0,0,0,2,0|1,1,0]=4 7447 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,0,0,0,2,0|1,1,0]=4 7448 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,0,0,0,2,0|1,1,0]=4 7449 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,0,0,0,2,0|1,1,0]=4 7450 B12R0.189 COC(=O)C=CC(=NNC(=O)C)C 4a_100000189765_100016258046 [0,0,1,0,0,1|1,0,1]=4 7451 B12R0.189 COC(=O)C=CC(=O)NNC(=O)C 22a_100000189765_100016283253 [0,0,1,0,0,1|2,0,0]=4 7452 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [1,0,0,0,0,1|2,0,0]=4 7453 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [1,0,0,0,0,1|2,0,0]=4 7454 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [1,0,0,0,0,1|1,0,0]=3 7455 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [1,0,0,0,0,1|2,0,0]=4 7456 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [1,0,0,0,0,1|2,0,0]=4 7457 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [1,0,0,0,0,1|2,0,0]=4 7458 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [1,0,0,0,0,1|2,0,0]=4 7459 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [1,0,0,0,0,1|1,0,0]=3 7460 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [1,0,0,0,0,1|2,0,0]=4 7461 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [1,0,0,0,0,1|2,0,0]=4 7462 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [1,0,0,0,0,1|2,0,0]=4 7463 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [1,0,0,0,0,1|2,0,0]=4 7464 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [1,0,0,0,0,1|2,0,0]=4 7465 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [1,0,0,0,0,1|1,0,1]=4 7466 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [1,0,0,0,0,1|1,0,1]=4 7467 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,0,0,0,0,1|1,0,0]=3 7468 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [1,0,0,0,0,1|2,0,0]=4 7469 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [1,0,0,0,0,1|2,0,0]=4 7470 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [1,0,0,0,0,1|2,0,0]=4 7471 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,0,0,0,0,1|2,0,0]=4 7472 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,0,0,0,0,1|1,0,0]=3 7473 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,0,0,0,0,1|2,0,0]=4 7474 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,0,0,0,0,1|2,0,0]=4 7475 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,0,0,0,0,1|2,0,0]=4 7476 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,0,0,0,0,1|2,0,0]=4 7477 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,0,0,0,0,1|2,0,0]=4 7478 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,0,0,0,0,1|1,0,0]=3 7479 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,0,0,0,0,1|1,0,0]=3 7480 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,0,0,0,0,1|2,0,0]=4 7481 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,0,0,0,0,1|2,0,0]=4 7482 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,0,0,0,0,1|2,0,0]=4 7483 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,0,0,0,0,1|2,0,0]=4 7484 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,0,0,0,0,1|2,0,0]=4 7485 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,0,0,0,0,1|1,0,0]=3 7486 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,0,0,0,0,1|1,0,0]=3 7487 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,0,0,0,0,1|1,0,0]=3 7488 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,0,0,0,0,1|2,0,0]=4 7489 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,0,0,0,0,1|1,0,0]=3 7490 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,0,0,0,0,1|2,0,0]=4 7491 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,0,0,0,0,1|2,0,0]=4 7492 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,0,0,0,0,1|2,0,0]=4 7493 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,0,0,0,0,1|1,0,0]=3 7494 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,0,0,0,0,1|2,0,0]=4 7495 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,0,0,0,0,1|1,0,0]=3 7496 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,0,0,0,0,1|2,0,0]=4 7497 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,0,0,0,0,1|2,0,0]=4 7498 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,0,0,0,0,1|1,0,0]=3 7499 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,0,0,0,0,1|1,0,0]=3 7500 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,0,0,0,0,1|1,0,0]=3 7501 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,0,0,0,0,1|1,0,0]=3 7502 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,0,0,0,0,1|0,0,0]=2 7503 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,0,0,0,0,1|0,0,0]=2 7504 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,0,0,0,0,1|0,0,0]=2 7505 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,0,0,0,0,1|0,0,0]=2 7506 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,0,0,0,0,1|1,0,0]=3 7507 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,0,0,0,0,1|1,0,0]=3 7508 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,0,0,0,0,1|1,0,0]=3 7509 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,0,0,0,0,1|1,0,0]=3 7510 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,0,0,0,0,1|1,0,0]=3 7511 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,0,0,0,0,1|1,0,0]=3 7512 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,0,0,0,0,1|1,0,0]=3 7513 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,0,0,0,0,1|1,0,0]=3 7514 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,0,0,0,0,1|1,0,0]=3 7515 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,0,0,0,0,1|1,0,0]=3 7516 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,0,0,0,0,1|1,0,0]=3 7517 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,0,0,0,0,1|1,0,0]=3 7518 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,0,0,0,0,1|0,0,0]=2 7519 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,0,0,0,0,1|0,0,0]=2 7520 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,0,0,0,0,1|0,0,0]=2 7521 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [1,0,0,0,0,1|2,0,0]=4 7522 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [1,0,0,0,0,1|2,0,0]=4 7523 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [1,0,0,0,0,1|2,0,0]=4 7524 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [1,0,0,0,0,1|2,0,0]=4 7525 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [1,0,0,0,0,1|1,0,0]=3 7526 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [1,0,0,0,0,1|1,0,0]=3 7527 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [1,0,0,0,0,1|1,0,0]=3 7528 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [1,0,0,0,0,1|1,0,0]=3 7529 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [1,0,0,0,0,1|2,0,0]=4 7530 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [1,0,0,0,0,1|2,0,0]=4 7531 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [1,0,0,0,0,1|2,0,0]=4 7532 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [1,0,0,0,0,1|2,0,0]=4 7533 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [1,0,0,0,0,1|2,0,0]=4 7534 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [1,0,0,0,0,1|2,0,0]=4 7535 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [1,0,0,0,0,1|2,0,0]=4 7536 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [1,0,0,0,0,1|2,0,0]=4 7537 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [1,0,0,0,0,1|1,0,0]=3 7538 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [1,0,0,0,0,1|2,0,0]=4 7539 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [1,0,0,0,0,1|2,0,0]=4 7540 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [1,0,0,0,0,1|2,0,0]=4 7541 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [1,0,0,0,0,1|1,0,0]=3 7542 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [1,0,0,0,0,1|1,0,0]=3 7543 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [1,0,0,0,0,1|1,0,0]=3 7544 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [1,0,0,0,0,1|1,0,0]=3 7545 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [1,0,0,0,0,1|2,0,0]=4 7546 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [1,0,0,0,0,1|2,0,0]=4 7547 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [1,0,0,0,0,1|2,0,0]=4 7548 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [1,0,0,0,0,1|2,0,0]=4 7549 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [1,0,0,0,0,1|2,0,0]=4 7550 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [1,0,0,0,0,1|2,0,0]=4 7551 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [1,0,0,0,0,1|2,0,0]=4 7552 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [1,0,0,0,0,1|2,0,0]=4 7553 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [1,0,0,0,0,1|1,0,0]=3 7554 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [1,0,0,0,0,1|1,0,0]=3 7555 B12R1.21 CC(=O)NCc1cnc(cn1)C 11a_100132314150_100015343762 [1,0,0,0,0,1|2,0,0]=4 7556 B12R1.21 CC(=O)NCc1cnc(cn1)C 240690a_100132314150_100015343762 [1,0,0,0,0,1|2,0,0]=4 7557 B12R1.21 CC(=O)NCc1cnc(cn1)C 527a_100132314150_100103153847 [1,0,0,0,0,1|2,0,0]=4 7558 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [1,0,0,0,0,1|1,0,0]=3 7559 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [1,0,0,0,0,1|0,0,0]=2 7560 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [1,0,0,0,0,1|1,0,0]=3 7561 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [1,0,0,0,0,1|1,0,0]=3 7562 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [1,0,0,0,0,1|1,0,0]=3 7563 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,0,0,0,0,1|0,0,0]=2 7564 B12R1.21 CC(=O)NNc1ccc(cn1)Br 22a_100000750576_100000070787 [1,0,0,0,0,1|2,0,0]=4 7565 B12R1.21 CC(=O)NNc1ccc(cn1)C 22a_100000746693_100000070787 [1,0,0,0,0,1|1,0,0]=3 7566 B12R1.21 CC(=O)NNc1ccc(cn1)Cl 22a_100011206499_100000070787 [1,0,0,0,0,1|2,0,0]=4 7567 B12R1.21 CC(=O)NNc1ccc(cn1)F 22a_100000753838_100000070787 [1,0,0,0,0,1|2,0,0]=4 7568 B12R1.21 CC(=O)NNc1ccc(cn1)I 22a_100010221006_100000070787 [1,0,0,0,0,1|2,0,0]=4 7569 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [1,0,0,0,0,1|1,0,0]=3 7570 B12R1.21 CC(=O)NNc1ccc(nc1)Br 22a_100000755011_100000070787 [1,0,0,0,0,1|2,0,0]=4 7571 B12R1.21 CC(=O)NNc1ccc(nc1)C 22a_100020639869_100000070787 [1,0,0,0,0,1|1,0,0]=3 7572 B12R1.21 CC(=O)NNc1ccc(nc1)Cl 22a_100000119030_100000070787 [1,0,0,0,0,1|2,0,0]=4 7573 B12R1.21 CC(=O)NNc1ccc(nc1)F 22a_100000120849_100000070787 [1,0,0,0,0,1|2,0,0]=4 7574 B12R1.21 CC(=O)NNc1ccc(nn1)C 22a_100000747182_100000070787 [1,0,0,0,0,1|2,0,0]=4 7575 B12R1.21 CC(=O)NNc1ncc(cn1)C 22a_100011824989_100000070787 [1,0,0,0,0,1|2,0,0]=4 7576 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [1,0,0,0,0,1|1,0,1]=4 7577 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [1,0,0,0,0,1|1,0,1]=4 7578 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [1,0,0,0,0,1|1,0,1]=4 7579 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [1,0,0,0,0,1|1,0,1]=4 7580 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [1,0,0,0,0,1|0,0,2]=4 7581 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [1,0,0,0,0,1|0,0,2]=4 7582 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,0,0,0,0,1|1,0,0]=3 7583 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,0,0,0,0,1|1,0,0]=3 7584 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [1,0,0,0,0,1|1,0,1]=4 7585 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [1,0,0,0,0,1|1,0,1]=4 7586 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [1,0,0,0,0,1|1,0,1]=4 7587 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [1,0,0,0,0,1|1,0,1]=4 7588 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [1,0,0,0,0,1|1,0,1]=4 7589 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [1,0,0,0,0,1|1,0,0]=3 7590 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [1,0,0,0,0,1|1,0,0]=3 7591 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [1,0,0,0,0,1|1,0,1]=4 7592 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [1,0,0,0,0,1|0,0,2]=4 7593 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [1,0,0,0,0,1|0,0,2]=4 7594 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000124888_100000761209 [1,0,0,0,0,1|2,0,0]=4 7595 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [1,0,0,0,0,1|2,0,0]=4 7596 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [1,0,0,0,0,1|2,0,0]=4 7597 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,0,0,0,0,1|1,0,0]=3 7598 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [1,0,0,0,0,1|2,0,0]=4 7599 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [1,0,0,0,0,1|2,0,0]=4 7600 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [1,0,0,0,0,1|2,0,0]=4 7601 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,0,0,0,0,1|1,0,0]=3 7602 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [1,0,0,0,0,1|2,0,0]=4 7603 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [1,0,0,0,0,1|2,0,0]=4 7604 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,0,0,0,0,1|2,0,0]=4 7605 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [1,0,0,0,0,1|2,0,0]=4 7606 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [1,0,0,0,0,1|2,0,0]=4 7607 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [1,0,0,0,0,1|2,0,0]=4 7608 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [1,0,0,0,0,1|2,0,0]=4 7609 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [1,0,0,0,0,1|2,0,0]=4 7610 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [1,0,0,0,0,1|2,0,0]=4 7611 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,0,0,0,0,1|1,0,0]=3 7612 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,0,0,0,0,1|2,0,0]=4 7613 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,0,0,0,0,1|2,0,0]=4 7614 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [1,0,0,0,0,1|2,0,0]=4 7615 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [1,0,0,0,0,1|2,0,0]=4 7616 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [1,0,0,0,0,1|2,0,0]=4 7617 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [1,0,0,0,0,1|2,0,0]=4 7618 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,0,0,0,0,1|1,0,0]=3 7619 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,0,0,0,0,1|2,0,0]=4 7620 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [1,0,0,0,0,1|2,0,0]=4 7621 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [1,0,0,0,0,1|2,0,0]=4 7622 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [1,0,0,0,0,1|2,0,0]=4 7623 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [1,0,0,0,0,1|2,0,0]=4 7624 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,0,0,0,0,1|2,0,0]=4 7625 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,0,0,0,0,1|2,0,0]=4 7626 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,0,0,0,0,1|2,0,0]=4 7627 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,0,0,0,0,1|2,0,0]=4 7628 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,0,0,0,0,1|2,0,0]=4 7629 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,0,0,0,0,1|2,0,0]=4 7630 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,0,0,0,0,1|2,0,0]=4 7631 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,0,0,0,0,1|2,0,0]=4 7632 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,0,0,0,0,1|1,0,0]=3 7633 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,0,0,0,0,1|2,0,0]=4 7634 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,0,0,0,0,1|2,0,0]=4 7635 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,0,0,0,0,1|2,0,0]=4 7636 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,0,0,0,0,1|2,0,0]=4 7637 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,0,0,0,0,1|1,0,0]=3 7638 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,0,0,0,0,1|2,0,0]=4 7639 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,0,0,0,0,1|2,0,0]=4 7640 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,0,0,0,0,1|2,0,0]=4 7641 B12R1.438 C#Cc1cccc(c1)NC(=O)C 11a_100000735509_100015343762 [0,0,0,0,1,1|1,0,1]=4 7642 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1626a_100000735509_100015343762 [0,0,0,0,1,1|1,0,1]=4 7643 B12R1.438 C#Cc1cccc(c1)NC(=O)C 22a_100000735509_100000070787 [0,0,0,0,1,1|1,0,1]=4 7644 B12R1.438 C#Cc1cccc(c1)NC(=O)C 527a_100000735509_100103153847 [0,0,0,0,1,1|1,0,1]=4 7645 B12R1.438 C=Cc1cc(ccn1)NC(=O)C 271570a_100011290941_100000238608 [0,0,0,0,1,1|1,0,1]=4 7646 B12R1.438 C=Cc1cccc(c1)NC(=O)C 11a_100011827668_100015343762 [0,0,0,0,1,1|1,0,1]=4 7647 B12R1.438 C=Cc1cccc(c1)NC(=O)C 1626a_100011827668_100015343762 [0,0,0,0,1,1|1,0,1]=4 7648 B12R1.438 C=Cc1cccc(c1)NC(=O)C 22a_100011827668_100000070787 [0,0,0,0,1,1|1,0,1]=4 7649 B12R1.438 C=Cc1cccc(c1)NC(=O)C 271570a_100011290941_100000153616 [0,0,0,0,1,1|1,0,1]=4 7650 B12R1.438 C=Cc1cccc(c1)NC(=O)C 527a_100011827668_100103153847 [0,0,0,0,1,1|1,0,1]=4 7651 B12R1.438 C=Cc1ccnc(c1)NC(=O)C 271570a_100011290941_100012362434 [0,0,0,0,1,1|1,0,1]=4 7652 B12R1.438 C=Cc1cncc(c1)NC(=O)C 271570a_100011290941_100012351681 [0,0,0,0,1,1|1,0,1]=4 7653 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,0,0,0,1,1|1,1,0]=4 7654 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,0,0,0,1,1|1,1,0]=4 7655 B12R1.438 CC(=O)Nc1cc(ccn1)S[13CH3] 62a_200025704644_100012362434 [0,0,0,0,1,1|0,1,0]=3 7656 B12R1.438 CC(=O)Nc1cccc(c1)C#N 11a_100000210922_100015343762 [0,0,0,0,1,1|2,0,0]=4 7657 B12R1.438 CC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100015343762 [0,0,0,0,1,1|2,0,0]=4 7658 B12R1.438 CC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000070787 [0,0,0,0,1,1|2,0,0]=4 7659 B12R1.438 CC(=O)Nc1cccc(c1)C#N 527a_100000210922_100103153847 [0,0,0,0,1,1|2,0,0]=4 7660 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,0,0,0,1,1|2,0,0]=4 7661 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,0,0,0,1,1|2,0,0]=4 7662 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,0,0,0,1,1|2,0,0]=4 7663 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,0,0,0,1,1|2,0,0]=4 7664 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,0,0,0,1,1|2,0,0]=4 7665 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,0,0,0,1,1|1,0,0]=3 7666 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,0,0,0,1,1|0,0,0]=2 7667 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,0,0,0,1,1|0,0,0]=2 7668 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,0,0,0,1,1|0,1,0]=3 7669 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [0,0,0,0,1,1|1,1,0]=4 7670 B12R1.438 CC(=O)Nc1ccnc(c1)S[13CH3] 62a_200025704644_100000238608 [0,0,0,0,1,1|0,1,0]=3 7671 B12R1.438 CC(=O)Nc1cncc(c1)S[13CH3] 62a_200025704644_100012351681 [0,0,0,0,1,1|0,1,0]=3 7672 B12R1.438 CC(=O)Nc1cncc(n1)S[13CH3] 62a_200025704644_100000703374 [0,0,0,0,1,1|1,1,0]=4 7673 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,0,0,0,1,1|1,0,0]=3 7674 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,0,0,0,1,1|1,1,0]=4 7675 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,0,0,0,1,1|1,0,0]=3 7676 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,0,0,0,1,1|1,0,0]=3 7677 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,0,0,0,1,1|1,0,0]=3 7678 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,0,0,0,1,1|1,0,0]=3 7679 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,0,0,0,1,1|1,0,0]=3 7680 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [0,0,0,0,1,1|2,0,0]=4 7681 B12R1.438 COc1cc(ccn1)C=C(C)C 271570a_100102525489_100000117307 [0,0,0,0,1,1|2,0,0]=4 7682 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,0,0,0,1,1|1,0,0]=3 7683 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,0,0,0,1,1|1,0,0]=3 7684 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,0,0,0,1,1|1,0,0]=3 7685 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [0,0,0,0,1,1|2,0,0]=4 7686 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,0,0,0,1,1|1,0,0]=3 7687 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,0,0,0,1,1|1,0,0]=3 7688 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,0,0,0,1,1|2,0,0]=4 7689 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,0,0,0,1,1|2,0,0]=4 7690 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,0,0,0,1,1|1,0,0]=3 7691 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,0,0,0,1,1|0,0,0]=2 7692 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,0,0,0,1,1|0,0,0]=2 7693 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,0,0,0,1,1|0,0,0]=2 7694 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,0,0,0,1,1|0,0,0]=2 7695 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,0,0,0,1,1|0,0,0]=2 7696 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,0,0,0,1,1|0,0,0]=2 7697 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,0,0,0,1,1|1,0,0]=3 7698 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,0,0,0,1,1|1,0,0]=3 7699 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [0,0,0,0,1,1|1,1,0]=4 7700 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [0,0,0,0,1,1|1,0,1]=4 7701 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,0,0,0,1,1|1,0,0]=3 7702 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,0,0,0,1,1|2,0,0]=4 7703 B12R1.438 COc1ccnc(c1)C=C(C)C 271570a_100102525489_100011216251 [0,0,0,0,1,1|2,0,0]=4 7704 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,0,0,0,1,1|1,0,0]=3 7705 B12R1.438 COc1cncc(c1)C=C(C)C 271570a_100102525489_100000684773 [0,0,0,0,1,1|2,0,0]=4 7706 B12R1.438 CSc1cc(ccn1)NC(=O)C 62a_200000210301_100000238608 [0,0,0,0,1,1|0,1,0]=3 7707 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,0,0,0,1,1|1,1,0]=4 7708 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,0,0,0,1,1|1,1,0]=4 7709 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,0,0,0,1,1|1,1,0]=4 7710 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,0,0,0,1,1|1,1,0]=4 7711 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,0,0,0,1,1|0,1,0]=3 7712 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,0,0,0,1,1|0,1,0]=3 7713 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,0,0,0,1,1|0,1,0]=3 7714 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,0,0,0,1,1|0,1,0]=3 7715 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,0,0,0,1,1|0,1,0]=3 7716 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [0,0,0,0,1,1|1,1,0]=4 7717 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,0,0,0,1,1|1,1,0]=4 7718 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [0,0,0,0,1,1|1,1,0]=4 7719 B12R1.438 CSc1ccnc(c1)NC(=O)C 62a_200000210301_100012362434 [0,0,0,0,1,1|0,1,0]=3 7720 B12R1.438 CSc1cncc(c1)NC(=O)C 62a_200000210301_100012351681 [0,0,0,0,1,1|0,1,0]=3 7721 B12R1.438 CSc1cncc(n1)NC(=O)C 62a_200000210301_100000703374 [0,0,0,0,1,1|1,1,0]=4 7722 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [0,0,0,0,1,1|2,0,0]=4 7723 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,0,0,0,1,1|2,0,0]=4 7724 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,0,0,0,1,1|2,0,0]=4 7725 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,0,0,0,1,1|1,0,0]=3 7726 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,0,0,0,1,1|1,0,0]=3 7727 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [0,0,0,0,1,1|1,1,0]=4 7728 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [0,0,0,0,1,1|1,1,0]=4 7729 B14R1.4 C#Cc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100011361452 [0,0,0,0,0,2|1,0,1]=4 7730 B14R1.4 C#Cc1ccc(cc1)NCOC(=O)C 34a_100011215031_100009813279 [0,0,0,0,0,2|1,0,1]=4 7731 B14R1.4 C=C(C)C=NNc1ccc(cc1)CC 4a_100015204395_100000210575 [0,0,0,0,0,2|2,0,0]=4 7732 B14R1.4 C=C(C)C=NNc1ccc(cc1)OC 4a_100000005221_100000210575 [0,0,0,0,0,2|1,0,0]=3 7733 B14R1.4 C=C(C)C=NNc1ccc(cc1)SC 4a_100000006515_100000210575 [0,0,0,0,0,2|1,1,0]=4 7734 B14R1.4 C=C(C)C=NNc1ccc(nc1)OC 4a_100102564821_100000210575 [0,0,0,0,0,2|2,0,0]=4 7735 B14R1.4 C=C(C)CCNc1ccc(cc1)CC 2230a_100000211069_100000730704 [0,0,0,0,0,2|2,0,0]=4 7736 B14R1.4 C=C(C)CCNc1ccc(cc1)CC 34a_100000211069_100000730704 [0,0,0,0,0,2|2,0,0]=4 7737 B14R1.4 C=C(C)CCNc1ccc(cc1)OC 34a_100000184247_100000730704 [0,0,0,0,0,2|1,0,0]=3 7738 B14R1.4 C=C(C)CCNc1ccc(cc1)SC 34a_100000212337_100000730704 [0,0,0,0,0,2|1,1,0]=4 7739 B14R1.4 C=C(C)CCOc1ccc(cc1)OC 34a_100000210503_100000730704 [0,0,0,0,0,2|2,0,0]=4 7740 B14R1.4 C=C(C)CCSc1ccc(cc1)OC 62a_100000730704_100000171711 [0,0,0,0,0,2|2,0,0]=4 7741 B14R1.4 C=C(C)CNCc1ccc(cc1)CC 2230a_100000721222_100000748629 [0,0,0,0,0,2|2,0,0]=4 7742 B14R1.4 C=C(C)CNCc1ccc(cc1)CC 34a_100000721222_100000748629 [0,0,0,0,0,2|2,0,0]=4 7743 B14R1.4 C=C(C)CNCc1ccc(cc1)OC 34a_100000185587_100000748629 [0,0,0,0,0,2|1,0,0]=3 7744 B14R1.4 C=C(C)CNCc1ccc(cc1)SC 2230a_100000174980_100000748629 [0,0,0,0,0,2|1,1,0]=4 7745 B14R1.4 C=C(C)CNCc1ccc(cc1)SC 34a_100000174980_100000748629 [0,0,0,0,0,2|1,1,0]=4 7746 B14R1.4 C=C(C)CNCc1ccc(cn1)OC 34a_100000703904_100000748629 [0,0,0,0,0,2|2,0,0]=4 7747 B14R1.4 C=C(C)CNCc1ccc(nc1)OC 2230a_100000241975_100000748629 [0,0,0,0,0,2|2,0,0]=4 7748 B14R1.4 C=C(C)COCc1ccc(cc1)OC 34a_100000173359_100000748629 [0,0,0,0,0,2|2,0,0]=4 7749 B14R1.4 C=C(C)COCc1ccc(cc1)OC 34a_100000210245_100000742318 [0,0,0,0,0,2|2,0,0]=4 7750 B14R1.4 C=C(C)CSCc1ccc(cc1)OC 62a_100000748629_100000742318 [0,0,0,0,0,2|2,0,0]=4 7751 B14R1.4 C=C(F)CNCc1ccc(cc1)OC 34a_100000185587_100009893438 [0,0,0,0,0,2|1,0,1]=4 7752 B14R1.4 C=Cc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100011361436 [0,0,0,0,0,2|1,0,1]=4 7753 B14R1.4 C=Cc1ccc(cc1)NCOC(=O)C 34a_100011218248_100009813279 [0,0,0,0,0,2|1,0,1]=4 7754 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 11a_100015189369_100015343762 [0,0,0,0,0,2|2,0,0]=4 7755 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 1626a_100015189369_100015343762 [0,0,0,0,0,2|2,0,0]=4 7756 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 240690a_100015189369_100015343762 [0,0,0,0,0,2|2,0,0]=4 7757 B14R1.4 CC(=O)NCCc1ccc(cc1)C#N 527a_100015189369_100103153847 [0,0,0,0,0,2|2,0,0]=4 7758 B14R1.4 CC(=O)NCCc1ccc(cc1)O[13CH3] 34a_100011395907_200025704644 [0,0,0,0,0,2|0,0,0]=2 7759 B14R1.4 CC(=O)NCCc1ccc(cc1)O[13CH3] 7a_100011395907_200025704644 [0,0,0,0,0,2|0,0,0]=2 7760 B14R1.4 CC(=O)NN=Cc1ccc(cc1)C#N 4a_100000189765_100000211122 [0,0,0,0,0,2|2,0,0]=4 7761 B14R1.4 CC(=O)NN=Cc1ccc(cc1)CO 4a_100000189765_100009832023 [0,0,0,0,0,2|2,0,0]=4 7762 B14R1.4 CC(=O)NNCc1ccc(cc1)CO 22a_202495334029_100000070787 [0,0,0,0,0,2|2,0,0]=4 7763 B14R1.4 CC(=O)OCCc1ccc(cc1)S[13CH3] 62a_200016374084_200025704644 [0,0,0,0,0,2|1,1,0]=4 7764 B14R1.4 CC(=O)OCCc1ccc(cc1)S[13CH3] 62a_200025704644_200016374084 [0,0,0,0,0,2|1,1,0]=4 7765 B14R1.4 CC(=O)OCNc1ccc(cc1)C#N 34a_100000185469_100009813279 [0,0,0,0,0,2|2,0,0]=4 7766 B14R1.4 CC(=O)OCNc1ccc(cc1)CO 34a_100011215238_100009813279 [0,0,0,0,0,2|2,0,0]=4 7767 B14R1.4 CCc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000211036 [0,0,0,0,0,2|1,0,0]=3 7768 B14R1.4 CCc1ccc(cc1)CCCC(=O)C 1458a_100011236546_200000210301 [0,0,0,0,0,2|2,0,0]=4 7769 B14R1.4 CCc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100011236546_200025704644 [0,0,0,0,0,2|2,0,0]=4 7770 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 11a_100025712186_100015343762 [0,0,0,0,0,2|1,0,0]=3 7771 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 1626a_100025712186_100015343762 [0,0,0,0,0,2|1,0,0]=3 7772 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 240690a_100025712186_100015343762 [0,0,0,0,0,2|1,0,0]=3 7773 B14R1.4 CCc1ccc(cc1)CCNC(=O)C 527a_100025712186_100103153847 [0,0,0,0,0,2|1,0,0]=3 7774 B14R1.4 CCc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000747183 [0,0,0,0,0,2|2,0,0]=4 7775 B14R1.4 CCc1ccc(cc1)CNCC(=O)N 2230a_100000721222_100000747473 [0,0,0,0,0,2|2,0,0]=4 7776 B14R1.4 CCc1ccc(cc1)CNCC(=O)N 34a_100000721222_100000187820 [0,0,0,0,0,2|2,0,0]=4 7777 B14R1.4 CCc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000757233 [0,0,0,0,0,2|2,0,0]=4 7778 B14R1.4 CCc1ccc(cc1)CNCC(=O)[O-] 34a_100000721222_100020667443 [0,0,0,0,0,2|2,0,0]=4 7779 B14R1.4 CCc1ccc(cc1)COCC(=O)C 34a_100000211253_100000747183 [0,0,0,0,0,2|2,0,0]=4 7780 B14R1.4 CCc1ccc(cc1)NCC=C(C)C 2230a_100000211069_100000761012 [0,0,0,0,0,2|2,0,0]=4 7781 B14R1.4 CCc1ccc(cc1)NCC=C(C)C 34a_100000211069_100000761012 [0,0,0,0,0,2|2,0,0]=4 7782 B14R1.4 CCc1ccc(cc1)NCCC(=O)N 2230a_100000211069_100000744528 [0,0,0,0,0,2|2,0,0]=4 7783 B14R1.4 CCc1ccc(cc1)NCCC(=O)N 34a_100000211069_100000731001 [0,0,0,0,0,2|2,0,0]=4 7784 B14R1.4 CCc1ccc(cc1)NCOC(=O)C 34a_100000211069_100009813279 [0,0,0,0,0,2|1,0,0]=3 7785 B14R1.4 CCc1ccc(cc1)OCCC(=O)C 7a_100000211359_100000053229 [0,0,0,0,0,2|2,0,0]=4 7786 B14R1.4 CCc1ccc(cc1)OCOC(=O)C 34a_100000211359_100009813279 [0,0,0,0,0,2|2,0,0]=4 7787 B14R1.4 CCc1ccc(cc1)SCCC(=O)C 62a_100000053229_100011215824 [0,0,0,0,0,2|2,0,0]=4 7788 B14R1.4 CCc1ccc(cc1)SCCC(=O)C 62a_100011215824_100000053229 [0,0,0,0,0,2|2,0,0]=4 7789 B14R1.4 CCc1ccc(cc1)SCOC(=O)C 62a_100000076356_100011215824 [0,0,0,0,0,2|2,0,0]=4 7790 B14R1.4 CCc1ccc(cc1)SCOC(=O)C 62a_100011215824_100000076356 [0,0,0,0,0,2|2,0,0]=4 7791 B14R1.4 CCc1ccc(nc1)C=NNC(=O)C 4a_100000189765_100000069529 [0,0,0,0,0,2|2,0,0]=4 7792 B14R1.4 CNc1ccc(cc1)OCOC(=O)C 34a_100000182112_100009813279 [0,0,0,0,0,2|2,0,0]=4 7793 B14R1.4 CNc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000743151 [0,0,0,0,0,2|2,0,0]=4 7794 B14R1.4 CNc1ccc(cc1)SCCC(=O)C 62a_100000743151_100000053229 [0,0,0,0,0,2|2,0,0]=4 7795 B14R1.4 CNc1ccc(cc1)SCOC(=O)C 62a_100000076356_100000743151 [0,0,0,0,0,2|2,0,0]=4 7796 B14R1.4 CNc1ccc(cc1)SCOC(=O)C 62a_100000743151_100000076356 [0,0,0,0,0,2|2,0,0]=4 7797 B14R1.4 COc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000169835 [0,0,0,0,0,2|0,0,0]=2 7798 B14R1.4 COc1ccc(cc1)C=NNC(C)C 4a_100000741168_100000169835 [0,0,0,0,0,2|1,0,1]=4 7799 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000070787_100011740616 [0,0,0,0,0,2|1,0,0]=3 7800 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000186216_200000210301 [0,0,0,0,0,2|1,0,0]=3 7801 B14R1.4 COc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000186216_200025704644 [0,0,0,0,0,2|1,0,0]=3 7802 B14R1.4 COc1ccc(cc1)CCNC(=O)C 11a_100000210796_100015343762 [0,0,0,0,0,2|0,0,0]=2 7803 B14R1.4 COc1ccc(cc1)CCNC(=O)C 1626a_100000210796_100015343762 [0,0,0,0,0,2|0,0,0]=2 7804 B14R1.4 COc1ccc(cc1)CCNC(=O)C 240690a_100000210796_100015343762 [0,0,0,0,0,2|0,0,0]=2 7805 B14R1.4 COc1ccc(cc1)CCNC(=O)C 34a_100011395907_200000210301 [0,0,0,0,0,2|0,0,0]=2 7806 B14R1.4 COc1ccc(cc1)CCNC(=O)C 527a_100000210796_100103153847 [0,0,0,0,0,2|0,0,0]=2 7807 B14R1.4 COc1ccc(cc1)CCNC(=O)C 7a_100011395907_200000210301 [0,0,0,0,0,2|0,0,0]=2 7808 B14R1.4 COc1ccc(cc1)CCNC(C)C 2230a_100000210796_100000210206 [0,0,0,0,0,2|1,0,1]=4 7809 B14R1.4 COc1ccc(cc1)CCNC(C)C 2230a_100138425928_100011713689 [0,0,0,0,0,2|1,0,1]=4 7810 B14R1.4 COc1ccc(cc1)CCNC(C)C 34a_100000210796_100000210206 [0,0,0,0,0,2|1,0,1]=4 7811 B14R1.4 COc1ccc(cc1)CCNC(C)C 34a_100138425928_100000184700 [0,0,0,0,0,2|1,0,1]=4 7812 B14R1.4 COc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000742318 [0,0,0,0,0,2|1,0,0]=3 7813 B14R1.4 COc1ccc(cc1)CNCC(=O)N 34a_100000185587_100000187820 [0,0,0,0,0,2|1,0,0]=3 7814 B14R1.4 COc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000742318 [0,0,0,0,0,2|1,0,0]=3 7815 B14R1.4 COc1ccc(cc1)CNCC(=O)[O-] 34a_100000185587_100020667443 [0,0,0,0,0,2|1,0,0]=3 7816 B14R1.4 COc1ccc(cc1)CNCC(C)C 207a_100000210953_100000169835 [0,0,0,0,0,2|1,0,1]=4 7817 B14R1.4 COc1ccc(cc1)CNCC(C)C 2230a_100000210953_100000742318 [0,0,0,0,0,2|1,0,1]=4 7818 B14R1.4 COc1ccc(cc1)CNCC(C)C 26a_100000210953_100000210503 [0,0,0,0,0,2|1,0,1]=4 7819 B14R1.4 COc1ccc(cc1)CNCC(C)C 270004a_100000185587_100000210432 [0,0,0,0,0,2|1,0,1]=4 7820 B14R1.4 COc1ccc(cc1)CNCC(C)C 270004a_100000210953_100000169835 [0,0,0,0,0,2|1,0,1]=4 7821 B14R1.4 COc1ccc(cc1)CNCC(C)C 34a_100000185587_100000210624 [0,0,0,0,0,2|1,0,1]=4 7822 B14R1.4 COc1ccc(cc1)CNCC(C)C 34a_100000210953_100000742318 [0,0,0,0,0,2|1,0,1]=4 7823 B14R1.4 COc1ccc(cc1)CNCC(C)O 207a_100000210904_100000169835 [0,0,0,0,0,2|0,0,2]=4 7824 B14R1.4 COc1ccc(cc1)CNCC(C)O 2230a_100000210904_100000742318 [0,0,0,0,0,2|0,0,2]=4 7825 B14R1.4 COc1ccc(cc1)CNCC(C)O 270004a_100000210904_100000169835 [0,0,0,0,0,2|0,0,2]=4 7826 B14R1.4 COc1ccc(cc1)CNCC(C)O 34a_100000185587_100011218427 [0,0,0,0,0,2|0,0,2]=4 7827 B14R1.4 COc1ccc(cc1)CNCC(C)O 34a_100000210904_100000742318 [0,0,0,0,0,2|0,0,2]=4 7828 B14R1.4 COc1ccc(cc1)CNC[C@@H](C)O 34a_100000185587_100009817552 [0,0,0,0,0,2|0,0,2]=4 7829 B14R1.4 COc1ccc(cc1)CNC[N+](=O)[O-] 34a_100000185587_100000761209 [0,0,0,0,0,2|2,0,0]=4 7830 B14R1.4 COc1ccc(cc1)CNNC(=O)C 22a_100000741578_100000070787 [0,0,0,0,0,2|0,0,0]=2 7831 B14R1.4 COc1ccc(cc1)COCC(=O)C 1458a_100000741626_200000210301 [0,0,0,0,0,2|1,0,0]=3 7832 B14R1.4 COc1ccc(cc1)COCC(=O)C 34a_100000211253_100000742318 [0,0,0,0,0,2|1,0,0]=3 7833 B14R1.4 COc1ccc(cc1)COCC(=O)N 34a_100000173359_100000187820 [0,0,0,0,0,2|2,0,0]=4 7834 B14R1.4 COc1ccc(cc1)COCC(=O)[13CH3] 1458a_100000741626_200025704644 [0,0,0,0,0,2|1,0,0]=3 7835 B14R1.4 COc1ccc(cc1)COCC(=O)[O-] 34a_100000173359_100020667443 [0,0,0,0,0,2|2,0,0]=4 7836 B14R1.4 COc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000742318 [0,0,0,0,0,2|2,0,0]=4 7837 B14R1.4 COc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000742318 [0,0,0,0,0,2|2,0,0]=4 7838 B14R1.4 COc1ccc(cc1)NCC=C(C)C 34a_100000184247_100000761012 [0,0,0,0,0,2|1,0,0]=3 7839 B14R1.4 COc1ccc(cc1)NCCC(=O)N 34a_100000184247_100000731001 [0,0,0,0,0,2|1,0,0]=3 7840 B14R1.4 COc1ccc(cc1)NCCC(C)C 34a_100000184247_100000210312 [0,0,0,0,0,2|1,0,1]=4 7841 B14R1.4 COc1ccc(cc1)NCCC(C)O 34a_100000184247_100012276601 [0,0,0,0,0,2|0,0,2]=4 7842 B14R1.4 COc1ccc(cc1)NCOC(=O)C 34a_100000184247_100009813279 [0,0,0,0,0,2|0,0,0]=2 7843 B14R1.4 COc1ccc(cc1)NCOC(C)C 34a_100000184247_100000709892 [0,0,0,0,0,2|1,0,1]=4 7844 B14R1.4 COc1ccc(cc1)NN=CC(C)C 4a_100000005221_100000210432 [0,0,0,0,0,2|1,0,1]=4 7845 B14R1.4 COc1ccc(cc1)OCC=C(C)C 34a_100000210503_100000761012 [0,0,0,0,0,2|2,0,0]=4 7846 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000070787_100000183225 [0,0,0,0,0,2|1,0,0]=3 7847 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000182993_200000210301 [0,0,0,0,0,2|1,0,0]=3 7848 B14R1.4 COc1ccc(cc1)OCCC(=O)N 34a_100000210503_100000731001 [0,0,0,0,0,2|2,0,0]=4 7849 B14R1.4 COc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182993_200025704644 [0,0,0,0,0,2|1,0,0]=3 7850 B14R1.4 COc1ccc(cc1)OCOC(=O)C 34a_100000210503_100009813279 [0,0,0,0,0,2|1,0,0]=3 7851 B14R1.4 COc1ccc(cc1)SCC=C(C)C 62a_100000761012_100000171711 [0,0,0,0,0,2|2,0,0]=4 7852 B14R1.4 COc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000171711 [0,0,0,0,0,2|1,0,0]=3 7853 B14R1.4 COc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000171711 [0,0,0,0,0,2|2,0,0]=4 7854 B14R1.4 COc1ccc(cc1)SCOC(=O)C 62a_100000076356_100000171711 [0,0,0,0,0,2|1,0,0]=3 7855 B14R1.4 COc1ccc(cn1)C=NNC(=O)C 4a_100000189765_100000761633 [0,0,0,0,0,2|1,0,0]=3 7856 B14R1.4 COc1ccc(cn1)CCNC(=O)C 11a_100011998949_100015343762 [0,0,0,0,0,2|1,0,0]=3 7857 B14R1.4 COc1ccc(cn1)CCNC(=O)C 1626a_100011998949_100015343762 [0,0,0,0,0,2|1,0,0]=3 7858 B14R1.4 COc1ccc(cn1)CCNC(=O)C 240690a_100011998949_100015343762 [0,0,0,0,0,2|1,0,0]=3 7859 B14R1.4 COc1ccc(cn1)CCNC(=O)C 527a_100011998949_100103153847 [0,0,0,0,0,2|1,0,0]=3 7860 B14R1.4 COc1ccc(cn1)CNCC(=O)N 2230a_100000241975_100000747473 [0,0,0,0,0,2|2,0,0]=4 7861 B14R1.4 COc1ccc(cn1)CNCC(=O)N 2230a_100000711301_100020631284 [0,0,0,0,0,2|2,0,0]=4 7862 B14R1.4 COc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100020631284 [0,0,0,0,0,2|2,0,0]=4 7863 B14R1.4 COc1ccc(cn1)COCC(=O)C 34a_100000211253_100020631284 [0,0,0,0,0,2|2,0,0]=4 7864 B14R1.4 COc1ccc(cn1)OCOC(=O)C 34a_100011934560_100009813279 [0,0,0,0,0,2|2,0,0]=4 7865 B14R1.4 COc1ccc(cn1)SCCC(=O)C 62a_100000047065_100000053229 [0,0,0,0,0,2|2,0,0]=4 7866 B14R1.4 COc1ccc(cn1)SCCC(=O)C 62a_100000053229_100000047065 [0,0,0,0,0,2|2,0,0]=4 7867 B14R1.4 COc1ccc(cn1)SCOC(=O)C 62a_100000047065_100000076356 [0,0,0,0,0,2|2,0,0]=4 7868 B14R1.4 COc1ccc(cn1)SCOC(=O)C 62a_100000076356_100000047065 [0,0,0,0,0,2|2,0,0]=4 7869 B14R1.4 COc1ccc(nc1)C=NNC(=O)C 4a_100000189765_100000701244 [0,0,0,0,0,2|1,0,0]=3 7870 B14R1.4 COc1ccc(nc1)CNCC(=O)N 2230a_100000711301_200000757186 [0,0,0,0,0,2|2,0,0]=4 7871 B14R1.4 COc1ccc(nc1)CNCC(=O)N 34a_100000703904_100000187820 [0,0,0,0,0,2|2,0,0]=4 7872 B14R1.4 COc1ccc(nc1)CNCC(=O)O 269956a_100016091260_200000757186 [0,0,0,0,0,2|2,0,0]=4 7873 B14R1.4 COc1ccc(nc1)CNCC(=O)[O-] 34a_100000703904_100020667443 [0,0,0,0,0,2|2,0,0]=4 7874 B14R1.4 COc1ccc(nc1)COCC(=O)C 34a_100000211253_200000757186 [0,0,0,0,0,2|2,0,0]=4 7875 B14R1.4 COc1ccc(nc1)OCOC(=O)C 34a_100012002028_100009813279 [0,0,0,0,0,2|2,0,0]=4 7876 B14R1.4 COc1ccc(nc1)SCCC(=O)C 62a_100000053229_100000744180 [0,0,0,0,0,2|2,0,0]=4 7877 B14R1.4 COc1ccc(nc1)SCCC(=O)C 62a_100000755202_100000053229 [0,0,0,0,0,2|2,0,0]=4 7878 B14R1.4 COc1ccc(nc1)SCOC(=O)C 62a_100000076356_100000744180 [0,0,0,0,0,2|2,0,0]=4 7879 B14R1.4 COc1ccc(nc1)SCOC(=O)C 62a_100000755202_100000076356 [0,0,0,0,0,2|2,0,0]=4 7880 B14R1.4 COc1cnc(cn1)C=NNC(=O)C 4a_100000189765_100000099869 [0,0,0,0,0,2|2,0,0]=4 7881 B14R1.4 COc1ncc(cn1)C=NNC(=O)C 4a_100000189765_100011202752 [0,0,0,0,0,2|2,0,0]=4 7882 B14R1.4 CSc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000211154 [0,0,0,0,0,2|0,1,0]=3 7883 B14R1.4 CSc1ccc(cc1)CCOC(=O)C 62a_200000210301_200016374084 [0,0,0,0,0,2|1,1,0]=4 7884 B14R1.4 CSc1ccc(cc1)CCOC(=O)C 62a_200016374084_200000210301 [0,0,0,0,0,2|1,1,0]=4 7885 B14R1.4 CSc1ccc(cc1)CNCC(=O)N 2230a_100000174980_100000747473 [0,0,0,0,0,2|1,1,0]=4 7886 B14R1.4 CSc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000181263 [0,0,0,0,0,2|1,1,0]=4 7887 B14R1.4 CSc1ccc(cc1)CNCC(=O)N 34a_100000174980_100000187820 [0,0,0,0,0,2|1,1,0]=4 7888 B14R1.4 CSc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000181263 [0,0,0,0,0,2|1,1,0]=4 7889 B14R1.4 CSc1ccc(cc1)CNCC(=O)[O-] 34a_100000174980_100020667443 [0,0,0,0,0,2|1,1,0]=4 7890 B14R1.4 CSc1ccc(cc1)CNNC(=O)C 22a_102495366275_100000070787 [0,0,0,0,0,2|0,1,0]=3 7891 B14R1.4 CSc1ccc(cc1)COCC(=O)C 34a_100000211253_100000181263 [0,0,0,0,0,2|1,1,0]=4 7892 B14R1.4 CSc1ccc(cc1)NCC=C(C)C 34a_100000212337_100000761012 [0,0,0,0,0,2|1,1,0]=4 7893 B14R1.4 CSc1ccc(cc1)NCCC(=O)N 34a_100000212337_100000731001 [0,0,0,0,0,2|1,1,0]=4 7894 B14R1.4 CSc1ccc(cc1)NCOC(=O)C 34a_100000212337_100009813279 [0,0,0,0,0,2|0,1,0]=3 7895 B14R1.4 CSc1ccc(cc1)OCOC(=O)C 34a_100000211864_100009813279 [0,0,0,0,0,2|1,1,0]=4 7896 B14R1.4 CSc1ccc(cc1)SCCC(=O)C 62a_100000053229_100011263217 [0,0,0,0,0,2|1,1,0]=4 7897 B14R1.4 CSc1ccc(cc1)SCCC(=O)C 62a_100011263217_100000053229 [0,0,0,0,0,2|1,1,0]=4 7898 B14R1.4 CSc1ccc(cc1)SCOC(=O)C 62a_100000076356_100011263217 [0,0,0,0,0,2|1,1,0]=4 7899 B14R1.4 CSc1ccc(cc1)SCOC(=O)C 62a_100011263217_100000076356 [0,0,0,0,0,2|1,1,0]=4