0 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.113 C=C(C)c1cc(ncn1)O 271570a_100000694244_100000765262 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.113 C=C(C)c1nccc(n1)O 271570a_100000694244_100011649813 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,0,0,0,0,0|1,0,1]=2 58 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.113 CN(C)c1ccnc(c1)O 271570a_203496583355_100000766659 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.113 CN(C)c1cncc(c1)O 271570a_203496583355_100012350714 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,0,0,0,0|1,0,0]=1 107 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [0,0,0,0,0,0|1,0,1]=2 114 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [0,0,0,0,0,0|2,0,1]=3 115 B10R1.113 OB(O)c1ccnc(c1)O 271570a_203496583355_100000049459 [0,0,0,0,0,0|2,0,1]=3 116 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [0,0,0,0,0,0|2,0,1]=3 117 B10R1.113 Oc1cc(ccn1)C(F)F 271570a_203496583355_100010180920 [0,0,0,0,0,0|3,0,1]=4 118 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [0,0,0,0,0,0|2,0,1]=3 119 B10R1.113 Oc1cccc(n1)C(F)F 271570a_203496583355_100010208565 [0,0,0,0,0,0|3,0,1]=4 120 B10R1.113 Oc1ccnc(c1)C(F)F 271570a_203496583355_100010136062 [0,0,0,0,0,0|3,0,1]=4 121 B10R1.113 Oc1cncc(c1)C(F)F 271570a_203496583355_100000694488 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,0,0,0|2,0,0]=2 123 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,0,0,0|2,0,0]=2 124 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,0,0,0|2,0,0]=2 125 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,0,0,0|2,0,0]=2 126 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,0,0,0|1,0,0]=1 127 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.2 C=Cc1cc(cnn1)O 271570a_100011290941_200010734679 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.2 C=Cc1cc(ncn1)O 271570a_100011290941_100000765262 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,0,0,0,0,0|1,1,0]=3 145 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.2 C=Cc1nccc(n1)O 271570a_100011290941_100011649813 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,0,0,0,0,0|1,0,1]=3 164 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,0,0,0,0,0|2,1,0]=4 209 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,0,0,0,0,0|2,1,0]=4 210 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.2 N#Cc1cc(ccn1)O 271570a_203496583355_100000685610 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [1,0,0,0,0,0|1,0,1]=3 223 B9R1.2 N#Cc1cccc(n1)O 271570a_203496583355_100011934037 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.2 N#Cc1ccnc(c1)O 271570a_203496583355_100011291639 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.2 N#Cc1cncc(c1)O 271570a_203496583355_100000686085 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [1,0,0,0,0,0|1,0,1]=3 228 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.2 NNc1cc(ccn1)O 271570a_203496583355_100000764631 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.2 NNc1cccc(n1)O 271570a_203496583355_100009817029 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.2 NNc1cncc(c1)O 271570a_203496583355_100000727789 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,0,0,0,0,0|1,0,0]=2 235 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,0,0,0,0,0|0,0,0]=1 236 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,0,0,0,0,0|1,0,0]=2 237 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,0,0,0,0,0|1,0,0]=2 238 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,0,0,0,0,0|1,0,0]=2 239 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [1,0,0,0,0,0|1,0,1]=3 240 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [1,0,0,0,0,0|0,0,1]=2 242 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [1,0,0,0,0,0|1,0,1]=3 243 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [1,0,0,0,0,0|1,0,1]=3 244 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [1,0,0,0,0,0|1,0,1]=3 245 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [1,0,0,0,0,0|2,0,1]=4 246 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [1,0,0,0,0,0|1,0,1]=3 247 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,0,0,0,0,0|2,1,0]=4 272 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,0,0,0,0,0|2,1,0]=4 273 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|1,0,0]=2 280 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|1,0,0]=2 287 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)O 271570a_100000694244_100009814561 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.21 C=C(C)c1cc(c(cn1)F)O 271570a_100000694244_100009854642 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.21 C=C(C)c1ccc(c(n1)O)F 271570a_100000694244_100010729010 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.21 C=C(C)c1ccc(c(n1)O)N 271570a_100000694244_100000718904 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.21 C=C(C)c1cnc(c(c1)O)F 271570a_100000694244_100009819871 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.21 C=C(C)c1cnc(c(c1)O)N 271570a_100000694244_100009819042 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,1,0,0,0,0|1,0,1]=3 381 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,1,0,0,0,0|1,0,1]=3 396 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.21 Cc1ncc(cc1O)B(O)O 271570a_203496583355_200010710928 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,1,0,0,0,0|1,0,0]=2 403 B11R1.21 Nc1ncc(cc1O)B(O)O 271570a_203496583355_200010710923 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,1,0,0,0,0|1,0,1]=3 406 B11R1.21 Oc1cc(ccc1F)C(F)F 271570a_203496583355_100010188717 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|1,0,0]=2 448 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|1,0,0]=2 449 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,0,0|1,0,1]=3 451 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.23 CN(CF)c1cccc(c1)O 269982a_100000756613_100015361967 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.23 CN(CF)c1cccc(c1)O 34a_100000756613_100015361967 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|0,0,0]=1 496 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,0|1,0,0]=2 498 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,0|1,0,0]=2 500 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,1,0,0,0,0|1,0,1]=3 521 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|1,0,0]=2 522 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|1,0,0]=2 532 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|0,0,1]=2 533 B11R1.74 C=C(C)c1cc(cc(c1)Br)Br 271570a_100000694244_100009814770 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.74 C=C(C)c1cc(cc(c1)Br)Cl 271570a_100000694244_100009814755 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.74 C=C(C)c1cc(cc(c1)Br)F 271570a_100000694244_100009814764 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.74 C=C(C)c1cc(cc(c1)Br)N 271570a_100000694244_100009814763 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.74 C=C(C)c1cc(cc(c1)Cl)Cl 271570a_100000694244_100000747138 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.74 C=C(C)c1cc(cc(c1)Cl)F 271570a_100000694244_100013859453 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.74 C=C(C)c1cc(cc(c1)Cl)N 271570a_100000694244_100010147676 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.74 C=C(C)c1cc(cc(c1)F)F 271570a_100000694244_100011218498 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.74 C=C(C)c1cc(cc(c1)F)N 271570a_100000694244_100011356972 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.74 C=C(C)c1cc(cc(c1)N)N 271570a_100000694244_100011999608 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,1,0,0,0,0|1,0,0]=2 557 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,1,0,0,0,0|1,0,0]=2 558 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,1,0,0,0,0|1,0,0]=2 567 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.74 CC(C)c1cc(cc(c1)Br)O 271570a_203496583355_200015473176 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.74 CC(C)c1cc(cc(c1)O)N 271570a_203496583355_100010369243 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.74 Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814731 [0,1,0,0,0,0|1,0,1]=3 578 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.74 OB(O)c1cc(cc(c1)F)O 271570a_203496583355_100009814746 [0,1,0,0,0,0|1,0,1]=3 588 B11R1.74 OB(O)c1cc(cc(c1)O)O 271570a_203496583355_100010062373 [0,1,0,0,0,0|1,0,1]=3 589 B11R1.74 OB(O)c1cc(nc(c1)F)O 271570a_203496583355_100009887747 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.74 Oc1cc(cc(c1)C(F)F)F 271570a_203496583355_100010204260 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,1,0,0,0,0|1,0,0]=2 598 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.155 CC(C)(C)c1cccc(c1)O 271570a_203496583355_100009816526 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.155 CC(C)(N)c1cccc(c1)O 271570a_203496583355_100016995529 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.155 CC(C)(O)c1cc(ccn1)O 271570a_203496583355_100010174121 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [0,1,0,0,0,0|1,0,1]=3 608 B11R1.155 CC(C)(O)c1cccc(n1)O 271570a_203496583355_100010074359 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.155 CC(C)(O)c1cncc(c1)O 271570a_203496583355_100010080784 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.155 CC(F)(F)c1cccc(c1)O 271570a_203496583355_100010232180 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [0,1,0,0,0,0|1,0,1]=3 612 B11R1.155 CS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191205 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.155 CS(=O)(=O)c1ccnc(c1)O 271570a_203496583355_100016215246 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.155 CS(=O)(=O)c1cncc(c1)O 271570a_203496583355_100000702611 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.155 C[Si](C)(C)c1cccc(c1)O 271570a_203496583355_100009816414 [0,1,0,0,0,0|2,1,0]=4 616 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [0,1,0,0,0,0|1,0,1]=3 617 B11R1.155 NS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191238 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.155 NS(=O)(=O)c1cncc(c1)O 271570a_203496583355_100000745556 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.155 Oc1cccc(c1)C(F)(F)F 271570a_203496583355_100000211837 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.159 C=C(C)c1ccnc(c1C)O 271570a_100000694244_100009858498 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.159 C=C(C)c1nccc(c1F)O 271570a_100000694244_100009876375 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.159 C=C(C)c1nccc(c1N)O 271570a_100000694244_100000128729 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,0,0|1,0,0]=2 659 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,0,0|1,0,0]=2 665 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,0,0|1,0,0]=2 666 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,0,0|1,0,0]=2 672 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,0,0|1,0,0]=2 678 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,0,0|1,0,0]=2 679 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,1,0,0,0,0|1,0,1]=3 695 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [0,1,0,0,0,0|1,0,1]=3 696 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,1,0,0,0,0|1,0,0]=2 697 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,0,0|1,0,0]=2 702 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,1,0,0,0,0|1,0,0]=2 710 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,1,0,0,0,0|1,0,0]=2 711 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [0,1,0,0,0,0|1,0,1]=3 714 B11R1.159 OB(O)c1ccnc(c1F)O 271570a_203496583355_200010157539 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.159 Oc1cccc(c1F)C(F)F 271570a_203496583355_100010189892 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,0,0|1,0,0]=2 721 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,0,0|1,0,0]=2 731 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,0,0|1,0,0]=2 735 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,0,0|1,0,0]=2 739 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,1,0,0,0,0|3,0,0]=4 746 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.167 C=C(C)c1cc(cnc1F)O 271570a_100000694244_100009817267 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.167 C=C(C)c1cc(ncc1C)O 271570a_100000694244_100009831917 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,0|2,0,0]=3 780 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,0|2,0,0]=3 781 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,0,0|2,0,0]=3 782 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,0|2,0,0]=3 786 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,0,0|1,0,0]=2 790 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,0,0|1,0,0]=2 791 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,0|2,0,0]=3 793 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,0,0|1,0,0]=2 797 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,0,0|1,0,0]=2 798 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,0|2,0,0]=3 800 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,0,0|2,0,0]=3 802 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,0,0|1,0,0]=2 804 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,0,0|1,0,0]=2 805 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,0|2,0,0]=3 807 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,0|2,0,0]=3 808 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,0,0|2,0,0]=3 809 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,0,0|1,0,0]=2 811 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,0,0|1,0,0]=2 812 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,0,0|1,0,0]=2 822 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,0,0|1,0,0]=2 823 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,1,0,0,0,0|2,0,0]=3 826 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,1,0,0,0,0|2,0,0]=3 828 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.167 CC(C)c1cc(ccc1F)O 271570a_203496583355_200053017515 [0,1,0,0,0,0|2,0,1]=4 831 B11R1.167 CC(C)c1cc(ccc1N)O 271570a_203496583355_100000694223 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,1,0,0,0,0|1,0,1]=3 834 B11R1.167 CN(C)c1cc(ccc1F)O 271570a_203496583355_100010288836 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,1,0,0,0,0|2,0,1]=4 837 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,1,0,0,0,0|2,0,1]=4 838 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,0|2,0,0]=3 840 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,0|2,0,0]=3 843 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,0|2,0,0]=3 844 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,0|2,0,0]=3 845 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [0,1,0,0,0,0|1,0,1]=3 846 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,1,0,0,0,0|1,0,0]=2 847 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,0,0|2,0,0]=3 848 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,0,0|2,0,0]=3 850 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,0,0|1,0,0]=2 852 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,1,0,0,0,0|1,0,0]=2 853 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,1,0,0,0,0|1,0,0]=2 854 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,1,0,0,0,0|2,0,0]=3 855 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,1,0,0,0,0|2,0,0]=3 856 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,1,0,0,0,0|1,0,0]=2 858 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.167 NC(=O)c1nc(cnc1N)O 271570a_203496583355_100010179960 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [0,1,0,0,0,0|1,0,1]=3 866 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [0,1,0,0,0,0|1,0,1]=3 867 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,1,0,0,0,0|2,0,1]=4 868 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,1,0,0,0,0|1,0,1]=3 869 B11R1.167 OB(O)c1cc(cnc1F)O 271570a_203496583355_100009814310 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.167 Oc1ccc(c(c1)C(F)F)F 271570a_203496583355_100010167061 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,0,0|2,0,0]=3 872 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,0|2,0,0]=3 873 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,0,0|2,0,0]=3 875 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,0,0|1,0,0]=2 876 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,0,0|1,0,0]=2 881 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,0,0|1,0,0]=2 886 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,0,0|2,0,0]=3 887 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,0,0|1,0,0]=2 891 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,0,0|2,0,0]=3 892 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,0,0|2,0,0]=3 894 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,0,0|2,0,0]=3 895 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,0,0|1,0,0]=2 896 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.266 C=C(C)c1cc(ccn1)CO 271570a_100000694244_100009814636 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [0,1,0,0,0,0|2,0,1]=4 902 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,1,0,0,0,0|3,0,0]=4 903 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,1,0,0,0,0|3,0,0]=4 904 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,1,0,0,0,0|3,0,0]=4 905 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,1,0,0,0,0|3,0,0]=4 907 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,1,0,0,0,0|3,0,0]=4 908 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,1,0,0,0,0|2,1,0]=4 910 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,1,0,0,0,0|2,1,0]=4 911 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,1,0,0,0,0|2,1,0]=4 912 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,1,0,0,0,0|2,1,0]=4 913 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,1,0,0,0,0|2,1,0]=4 914 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.266 C=C(C)c1ccnc(c1)CO 271570a_100000694244_100009819072 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.266 C=C(C)c1cncc(c1)CO 271570a_100000694244_100011259137 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.266 C=Cc1cc(ccn1)C(=O)N 271570a_100011290941_100000229836 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [0,1,0,0,0,0|2,0,1]=4 923 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,1,0,0,0,0|3,0,0]=4 932 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,1,0,0,0,0|3,0,0]=4 933 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,1,0,0,0,0|3,0,0]=4 934 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,1,0,0,0,0|2,1,0]=4 937 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,1,0,0,0,0|2,1,0]=4 938 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,1,0,0,0,0|2,0,0]=3 939 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,1,0,0,0,0|1,0,0]=2 940 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,1,0,0,0,0|1,0,0]=2 941 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,1,0,0,0,0|1,0,0]=2 942 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,1,0,0,0,0|1,1,0]=3 943 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,1,0,0,0,0|1,1,0]=3 944 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,1,0,0,0,0|2,1,0]=4 945 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,1,0,0,0,0|2,1,0]=4 946 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,1,0,0,0,0|2,1,0]=4 947 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,1,0,0,0,0|2,1,0]=4 948 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,1,0,0,0,0|2,1,0]=4 949 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,1,0,0,0,0|2,1,0]=4 950 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,1,0,0,0,0|1,0,1]=3 957 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,1,0,0,0,0|1,0,1]=3 958 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,1,0,0,0,0|1,1,1]=4 959 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,1,0,0,0,0|1,1,1]=4 960 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,1,0,0,0,0|2,0,1]=4 967 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,1,0,0,0,0|3,0,0]=4 968 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,1,0,0,0,0|3,0,0]=4 969 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,1,0,0,0,0|3,0,0]=4 970 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,1,0,0,0,0|1,0,0]=2 971 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,1,0,0,0,0|1,0,0]=2 972 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,1,0,0,0,0|1,0,0]=2 973 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,1,0,0,0,0|1,0,0]=2 974 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,1,0,0,0,0|1,0,0]=2 975 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,1,0,0,0,0|1,0,0]=2 976 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,1,0,0,0,0|1,1,0]=3 977 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,1,0,0,0,0|2,0,1]=4 979 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,1,0,0,0,0|1,0,1]=3 982 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,1,0,0,0,0|1,0,1]=3 983 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,1,0,0,0,0|1,0,1]=3 991 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,1,0,0,0,0|1,0,1]=3 992 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [0,1,0,0,0,0|2,0,1]=4 994 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [0,1,0,0,0,0|2,0,1]=4 995 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,1,0,0,0,0|2,1,0]=4 996 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,1,0,0,0,0|2,1,0]=4 997 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,1,0,0,0,0|2,1,0]=4 998 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,1,0,0,0,0|2,1,0]=4 999 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,1,0,0,0,0|2,1,0]=4 1000 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,1,0,0,0,0|2,1,0]=4 1001 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [0,1,0,0,0,0|1,1,1]=4 1002 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [0,1,0,0,0,0|1,1,1]=4 1003 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,1,0,0,0,0|1,1,0]=3 1004 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,1,0,0,0,0|1,1,0]=3 1005 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,1,0,0,0,0|1,1,0]=3 1006 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,1,0,0,0,0|1,1,0]=3 1007 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,1,0,0,0,0|1,1,0]=3 1008 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,1,0,0,0,0|1,1,0]=3 1009 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,1,0,0,0,0|1,1,1]=4 1010 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,1,0,0,0,0|1,1,1]=4 1011 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,1,0,0,0,0|2,1,0]=4 1012 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,1,0,0,0,0|2,1,0]=4 1013 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,1,0,0,0,0|2,1,0]=4 1014 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,1,0,0,0,0|2,1,0]=4 1015 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,1,0,0,0,0|2,1,0]=4 1016 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,1,0,0,0,0|2,1,0]=4 1017 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,1,0,0,0,0|2,1,0]=4 1018 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,1,0,0,0,0|2,1,0]=4 1019 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,1,0,0,0,0|2,1,0]=4 1020 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,1,0,0,0,0|2,1,0]=4 1021 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,1,0,0,0,0|2,1,0]=4 1022 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,1,0,0,0,0|2,1,0]=4 1023 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,1,0,0,0,0|2,1,0]=4 1024 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,1,0,0,0,0|2,1,0]=4 1025 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,1,0,0,0,0|1,0,0]=2 1027 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,1,0,0,0,0|2,0,0]=3 1028 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,1,0,0,0,0|2,0,1]=4 1029 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,1,0,0,0,0|1,0,0]=2 1030 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,1,0,0,0,0|1,0,0]=2 1031 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,1,0,0,0,0|1,1,0]=3 1032 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,1,0,0,0,0|1,0,1]=3 1033 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,1,0,0,0,0|1,0,1]=3 1034 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [0,1,0,0,0,0|2,0,1]=4 1036 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [0,1,0,0,0,0|2,0,1]=4 1037 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,1,0,0,0,0|2,1,0]=4 1038 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,1,0,0,0,0|2,1,0]=4 1039 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [0,1,0,0,0,0|1,1,1]=4 1040 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [0,1,0,0,0,0|1,1,1]=4 1041 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,1,0,0,0,0|1,1,0]=3 1042 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,1,0,0,0,0|1,1,0]=3 1043 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,1,0,0,0,0|2,1,0]=4 1044 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,1,0,0,0,0|2,1,0]=4 1045 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,1,0,0,0,0|2,1,0]=4 1046 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,1,0,0,0,0|2,1,0]=4 1047 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,1,0,0,0,0|2,1,0]=4 1048 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,1,0,0,0,0|2,1,0]=4 1049 B11R2.35 Oc1cccc(c1)C2CC2 271570a_100011220607_100000211634 [0,0,0,1,0,0|2,0,1]=4 1050 B11R2.35 Oc1cccc(c1)C2CC2 271570a_203496583355_100009816567 [0,0,0,1,0,0|2,0,1]=4 1051 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,1,0|2,0,0]=3 1052 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,1,0|2,0,0]=3 1053 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,1,0|2,0,0]=3 1054 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,1,0|2,0,0]=3 1055 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,0,0,0,1,0|3,0,0]=4 1056 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,1,0|2,0,0]=3 1057 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,0,0,0,1,0|3,0,0]=4 1058 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,0,0,0,1,0|3,0,0]=4 1059 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,0,0,0,1,0|3,0,0]=4 1060 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,1,0|2,0,0]=3 1061 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,1,0|2,0,0]=3 1062 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,1,0|2,0,0]=3 1063 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,1,0|2,0,0]=3 1064 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,0,0,0,1,0|3,0,0]=4 1065 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,0,0,0,1,0|3,0,0]=4 1066 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,1,0|2,0,0]=3 1067 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,0,0,0,1,0|3,0,0]=4 1068 B9R1.35 OB(O)c1ccc(s1)O 271570a_203496583355_100009813780 [0,0,0,0,1,0|2,0,1]=4 1069 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,1,0|2,0,0]=3 1070 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,0,0,0,1,0|3,0,0]=4 1071 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [0,0,0,0,1,0|3,0,0]=4 1072 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,0,0,0,1,0|2,0,0]=3 1073 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,0,0,0,0,1|3,0,0]=4 1074 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,0,0,0,0,1|3,0,0]=4 1075 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,0,0,0,1|3,0,0]=4 1076 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,0,0,0,0,1|3,0,0]=4 1077 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,0,0,0,0,1|3,0,0]=4 1078 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,0,0,0,0,1|3,0,0]=4 1079 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,0,0,0,0,1|2,0,0]=3 1080 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,0,0,0,0,1|2,1,0]=4 1081 B11R1.157 CC(=Cc1cncc(c1)O)C 271570a_100102525489_100000754920 [0,0,0,0,0,1|3,0,0]=4 1082 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,0,0,0,0,1|3,0,0]=4 1083 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,1|3,0,0]=4 1084 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,0,0,0,0,1|3,0,0]=4 1085 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,0,0,0,0,1|2,0,0]=3 1086 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,0,0,0,0,1|2,0,0]=3 1087 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,0,0,0,1|2,0,0]=3 1088 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,0,0,0,1|2,0,0]=3 1089 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,0,0,0,1|2,0,0]=3 1090 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,0,0,0,1|2,0,0]=3 1091 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,0,0,0,0,1|2,0,0]=3 1092 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,0,0,0,0,1|2,0,0]=3 1093 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,0,0,0,0,1|2,0,0]=3 1094 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,0,0,0,0,1|2,0,0]=3 1095 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,0,0,0,1|1,0,0]=2 1096 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,0,0,0,1|1,0,0]=2 1097 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,0,0,0,1|1,0,0]=2 1098 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,0,0,0,0,1|3,0,0]=4 1099 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,0,0,0,0,1|3,0,0]=4 1100 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,0,0,0,0,1|3,0,0]=4 1101 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,0,0,0,0,1|3,0,0]=4 1102 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,0,0,0,0,1|3,0,0]=4 1103 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,0,0,0,0,1|3,0,0]=4 1104 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,0,0,0,0,1|3,0,0]=4 1105 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,0,0,0,0,1|3,0,0]=4 1106 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,0,0,0,0,1|3,0,0]=4 1107 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,0,0,0,0,1|3,0,0]=4 1108 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,0,0,0,0,1|3,0,0]=4 1109 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,0,0,0,0,1|3,0,0]=4 1110 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,0,0,0,0,1|3,0,0]=4 1111 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,0,0,0,0,1|3,0,0]=4 1112 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,1|3,0,0]=4 1113 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,0,0,0,0,1|3,0,0]=4 1114 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,0,0,0,0,1|3,0,0]=4 1115 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,0,0,0,0,1|3,0,0]=4 1116 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,0,0,0,0,1|2,0,0]=3 1117 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,0,0,0,0,1|2,0,0]=3 1118 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,0,0,0,0,1|2,0,0]=3 1119 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,0,0,0,0,1|2,0,0]=3 1120 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,0,0,0,0,1|2,0,0]=3 1121 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 1122 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 1123 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,0,0,0,1|2,0,0]=3 1124 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,0,0,0,1|2,0,0]=3 1125 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,0,0,0,1|2,0,0]=3 1126 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,0,0,0,1|2,0,0]=3 1127 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,0,0,0,1|2,0,0]=3 1128 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,0,0,0,0,1|2,0,0]=3 1129 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,0,0,0,0,1|2,0,0]=3 1130 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,0,0,0,0,1|2,0,0]=3 1131 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,0,0,0,0,1|2,0,0]=3 1132 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,0,0,0,0,1|2,0,0]=3 1133 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,0,0,0,0,1|2,0,0]=3 1134 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,0,0,0,0,1|2,0,0]=3 1135 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,0,0,0,0,1|2,0,0]=3 1136 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,0,0,0,1|1,0,0]=2 1137 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,0,0,0,1|1,0,0]=2 1138 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,0,0,0,1|1,0,0]=2 1139 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,0,0,0,1|1,0,0]=2 1140 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,0,0,0,0,1|2,0,0]=3 1141 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,0,0,0,0,1|2,0,0]=3 1142 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,0,0,0,0,1|2,0,0]=3 1143 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,0,0,0,0,1|3,0,0]=4 1144 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,0,0,0,0,1|1,0,0]=2 1145 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,0,0,0,0,1|2,0,1]=4 1146 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [0,0,0,0,0,1|2,0,1]=4 1147 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [0,0,0,0,0,1|2,0,1]=4 1148 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,0,0,0,0,1|2,0,1]=4 1149 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [0,0,0,0,0,1|2,0,1]=4 1150 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [0,0,0,0,0,1|2,0,1]=4 1151 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [0,0,0,0,0,1|3,0,0]=4 1152 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [0,0,0,0,0,1|3,0,0]=4 1153 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [0,0,0,0,0,1|3,0,0]=4 1154 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [0,0,0,0,0,1|3,0,0]=4 1155 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [0,0,0,0,0,1|3,0,0]=4 1156 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [0,0,0,0,0,1|3,0,0]=4 1157 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [0,0,0,0,0,1|3,0,0]=4 1158 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [0,0,0,0,0,1|3,0,0]=4 1159 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,0,0,0,1|2,0,0]=3 1160 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,0,0,0,0,1|3,0,0]=4 1161 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,0,0,0,0,1|1,0,0]=2 1162 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,0,0,0,0,1|1,0,0]=2 1163 B11R1.157 Oc1cccc(c1)OC(F)F 271570a_203496583355_100000179092 [0,0,0,0,0,1|2,0,1]=4 1164 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,0,0,0,0,1|2,0,0]=3 1165 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,0,0,0,1|2,0,0]=3 1166 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,0,0,0,0,1|2,0,0]=3 1167 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,0,0,0,0,1|2,0,0]=3 1168 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,0,0,0,1|1,0,0]=2 1169 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,0,0,0,0,1|3,0,0]=4 1170 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,0,0,0,0,1|3,0,0]=4 1171 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,0,0,0,0,1|3,0,0]=4 1172 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,0,0,0,0,1|3,0,0]=4 1173 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,0,0,0,0,1|3,0,0]=4 1174 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,0,0,0,0,1|3,0,0]=4 1175 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,0]=3 1176 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|2,0,0]=4 1177 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|2,0,0]=4 1178 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|2,0,0]=4 1179 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|2,0,0]=4 1180 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 1181 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 1182 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 1183 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 1184 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|2,0,0]=4 1185 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 1186 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 1187 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 1188 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 1189 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [2,0,0,0,0,0|1,0,1]=4 1190 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [2,0,0,0,0,0|1,0,1]=4 1191 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [2,0,0,0,0,0|0,0,1]=3 1192 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [2,0,0,0,0,0|1,0,1]=4 1193 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [2,0,0,0,0,0|1,0,1]=4 1194 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [2,0,0,0,0,0|1,0,1]=4 1195 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [2,0,0,0,0,0|2,0,0]=4 1196 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [2,0,0,0,0,0|1,0,0]=3 1197 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [2,0,0,0,0,0|2,0,0]=4 1198 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [2,0,0,0,0,0|2,0,0]=4 1199 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [2,0,0,0,0,0|2,0,0]=4 1200 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [2,0,0,0,0,0|1,0,0]=3 1201 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [2,0,0,0,0,0|2,0,0]=4 1202 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [2,0,0,0,0,0|1,0,0]=3 1203 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [2,0,0,0,0,0|2,0,0]=4 1204 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [2,0,0,0,0,0|2,0,0]=4 1205 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [2,0,0,0,0,0|2,0,0]=4 1206 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [2,0,0,0,0,0|2,0,0]=4 1207 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [2,0,0,0,0,0|1,0,0]=3 1208 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [2,0,0,0,0,0|1,0,0]=3 1209 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [2,0,0,0,0,0|1,0,0]=3 1210 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [2,0,0,0,0,0|0,0,0]=2 1211 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [2,0,0,0,0,0|0,1,0]=3 1212 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [2,0,0,0,0,0|2,0,0]=4 1213 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [2,0,0,0,0,0|2,0,0]=4 1214 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [2,0,0,0,0,0|2,0,0]=4 1215 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [2,0,0,0,0,0|2,0,0]=4 1216 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [2,0,0,0,0,0|2,0,0]=4 1217 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [2,0,0,0,0,0|1,0,0]=3 1218 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [2,0,0,0,0,0|2,0,0]=4 1219 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [2,0,0,0,0,0|2,0,0]=4 1220 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [2,0,0,0,0,0|2,0,0]=4 1221 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [2,0,0,0,0,0|2,0,0]=4 1222 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [2,0,0,0,0,0|1,0,0]=3 1223 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [2,0,0,0,0,0|2,0,0]=4 1224 B8R1.4 Oc1cnnc(c1)O 271570a_203496583355_200010734679 [2,0,0,0,0,0|2,0,0]=4 1225 B8R1.4 [O-][n+]1cccc(c1)O 271570a_203496583355_100009815978 [2,0,0,0,0,0|1,0,1]=4 1226 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,1,0,0,0,0|1,0,0]=3 1233 B10R1.2 C=Cc1cccc(c1Cl)Br 271570a_100011290941_100010142854 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.2 C=Cc1cccc(c1Cl)Cl 271570a_100011290941_100011215384 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.2 C=Cc1cccc(c1Cl)F 271570a_100011290941_200010234923 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.2 C=Cc1cccc(c1F)Br 271570a_100011290941_100000702267 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.2 C=Cc1cccc(c1F)Cl 271570a_100011290941_100011217346 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.2 C=Cc1cccc(c1F)F 271570a_100011290941_100000694657 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [1,1,0,0,0,0|1,0,0]=3 1244 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [1,1,0,0,0,0|1,0,0]=3 1250 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,1,0,0,0,0|1,0,0]=3 1256 B10R1.2 C=Cc1ccnc(c1C)O 271570a_100011290941_100009858498 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.2 C=Cc1nccc(c1F)O 271570a_100011290941_100009876375 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.2 C=Cc1nccc(c1N)O 271570a_100011290941_100000128729 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.2 CNc1cccc(c1Br)O 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.2 CNc1cccc(c1Br)O 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.2 CNc1cccc(c1C)O 34a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.2 CNc1cccc(c1C)O 7a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.2 CNc1cccc(c1Cl)O 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 1265 B10R1.2 CNc1cccc(c1Cl)O 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.2 CNc1cccc(c1N)O 271570a_203496583355_100000695761 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.2 COc1cccc(c1C)O 271570a_203496583355_100010002647 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.2 COc1cccc(c1Cl)O 271570a_203496583355_100010147677 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.2 COc1cccc(c1F)O 271570a_203496583355_100010185846 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.2 COc1cccc(c1N)O 271570a_203496583355_100000708083 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.2 CSc1cccc(c1Br)O 62a_100010187914_200000210301 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.2 CSc1cccc(c1Br)O 62a_200000210301_100010187914 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.2 CSc1cccc(c1Cl)O 62a_200000210301_100000049636 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.2 CSc1cccc(c1F)O 62a_100009817021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.2 CSc1cccc(c1F)O 62a_200000210301_100009817021 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.2 CSc1cccc(c1N)O 62a_200000210301_100011934926 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.2 Cc1c(cccc1C#N)O 271570a_203496583355_100000721996 [1,1,0,0,0,0|1,0,1]=4 1283 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|0,0,0]=2 1284 B10R1.2 Cc1c(cccc1CN)O 271570a_203496583355_100000724210 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|0,0,1]=3 1286 B10R1.2 Cc1c(cccc1N[13CH3])O 34a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.2 Cc1c(cccc1N[13CH3])O 7a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.2 Cc1c(ccnc1O)C=O 271570a_203496583355_100000096011 [1,1,0,0,0,0|1,0,0]=3 1291 B10R1.2 Cc1c(cncc1C=O)O 271570a_203496583355_100010214934 [1,1,0,0,0,0|1,0,0]=3 1292 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|1,0,1]=4 1293 B10R1.2 N#Cc1cccc(c1F)O 271570a_203496583355_100011934600 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.2 N#Cc1cccc(c1N)O 271570a_203496583355_100000690598 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009817103 [1,1,0,0,0,0|1,0,1]=4 1296 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009818990 [1,1,0,0,0,0|1,0,1]=4 1297 B10R1.2 NCc1cccc(c1F)O 271570a_203496583355_100015189953 [1,1,0,0,0,0|1,0,1]=4 1298 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [1,1,0,0,0,0|0,0,0]=2 1299 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [1,1,0,0,0,0|0,0,1]=3 1300 B10R1.2 Nc1c(cncc1CO)O 271570a_203496583355_200010988789 [1,1,0,0,0,0|1,0,1]=4 1301 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [1,1,0,0,0,0|0,0,0]=2 1302 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|0,0,0]=2 1304 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|0,0,0]=2 1305 B10R1.2 O=Cc1ccnc(c1F)O 271570a_203496583355_100010064874 [1,1,0,0,0,0|1,0,0]=3 1306 B10R1.2 O=Cc1ccnc(c1O)F 271570a_203496583355_100009856171 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.2 O=Cc1nccc(c1F)O 271570a_203496583355_100015713984 [1,1,0,0,0,0|1,0,0]=3 1308 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [1,1,0,0,0,0|0,0,1]=3 1309 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [1,1,0,0,0,0|0,0,1]=3 1310 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [1,1,0,0,0,0|1,0,1]=4 1311 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [1,1,0,0,0,0|1,0,1]=4 1312 B10R1.2 OCc1ccnc(c1F)O 271570a_203496583355_100000101314 [1,1,0,0,0,0|1,0,1]=4 1313 B10R1.2 [13CH3]Nc1cccc(c1Br)O 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.2 [13CH3]Nc1cccc(c1Br)O 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_100010187914_200025704644 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_200025704644_100010187914 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.2 [13CH3]Sc1cccc(c1Cl)O 62a_200025704644_100000049636 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_100009817021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_200025704644_100009817021 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.2 [13CH3]Sc1cccc(c1N)O 62a_200025704644_100011934926 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.8 C=Cc1cc(cc(c1)Br)Br 271570a_100011290941_100009814770 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.8 C=Cc1cc(cc(c1)Br)Cl 271570a_100011290941_100009814755 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.8 C=Cc1cc(cc(c1)Br)F 271570a_100011290941_100009814764 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.8 C=Cc1cc(cc(c1)Br)N 271570a_100011290941_100009814763 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.8 C=Cc1cc(cc(c1)Br)O 271570a_100011290941_100010068917 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.8 C=Cc1cc(cc(c1)C)C 271570a_100011290941_100011215608 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.8 C=Cc1cc(cc(c1)Cl)C 271570a_100011290941_100010172791 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.8 C=Cc1cc(cc(c1)Cl)Cl 271570a_100011290941_100000747138 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.8 C=Cc1cc(cc(c1)Cl)F 271570a_100011290941_100013859453 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.8 C=Cc1cc(cc(c1)Cl)N 271570a_100011290941_100010147676 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.8 C=Cc1cc(cc(c1)Cl)O 271570a_100011290941_100010068924 [1,1,0,0,0,0|1,0,0]=3 1335 B10R1.8 C=Cc1cc(cc(c1)F)C 271570a_100011290941_100011356977 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.8 C=Cc1cc(cc(c1)F)F 271570a_100011290941_100011218498 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.8 C=Cc1cc(cc(c1)F)N 271570a_100011290941_100011356972 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.8 C=Cc1cc(cc(c1)F)O 271570a_100011290941_100000717995 [1,1,0,0,0,0|1,0,0]=3 1339 B10R1.8 C=Cc1cc(cc(c1)N)C 271570a_100011290941_100000695972 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.8 C=Cc1cc(cc(c1)N)N 271570a_100011290941_100011999608 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [1,1,0,0,0,0|1,0,0]=3 1342 B10R1.8 C=Cc1cc(cc(c1)O)O 271570a_100011290941_100009868816 [1,1,0,0,0,0|1,0,0]=3 1343 B10R1.8 CCc1cc(cc(c1)O)N 271570a_203496583355_100010074814 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.8 CNc1cc(cc(c1)Cl)O 34a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.8 CNc1cc(cc(c1)Cl)O 7a_100000123917_200000210301 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.8 CNc1cc(cc(c1)F)O 271570a_203496583355_106741647397 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.8 CNc1cc(cc(c1)O)C 34a_100011995906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.8 CNc1cc(cc(c1)O)C 7a_100011995906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.8 CNc1cc(cc(c1)O)O 34a_100000043371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.8 COc1cc(cc(c1)Br)O 271570a_203496583355_100010141301 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.8 COc1cc(cc(c1)Cl)O 271570a_203496583355_100010147680 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.8 COc1cc(cc(c1)F)O 271570a_203496583355_100011934182 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.8 COc1cc(cc(c1)O)C 271570a_203496583355_100010187550 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.8 COc1cc(cc(c1)O)N 271570a_203496583355_100000750983 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.8 COc1cc(cc(c1)O)O 271570a_203496583355_100010068927 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.8 CSc1cc(cc(c1)Br)O 62a_100010068917_200000210301 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.8 CSc1cc(cc(c1)Br)O 62a_200000210301_100010068917 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.8 CSc1cc(cc(c1)Cl)O 62a_100010068924_200000210301 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.8 CSc1cc(cc(c1)Cl)O 62a_200000210301_100010068924 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.8 CSc1cc(cc(c1)F)O 271570a_203496583355_200010245467 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.8 CSc1cc(cc(c1)F)O 62a_100000688818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1362 B10R1.8 CSc1cc(cc(c1)F)O 62a_200000210301_100000688818 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.8 CSc1cc(cc(c1)O)C 271570a_203496583355_200010709730 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.8 CSc1cc(cc(c1)O)C 62a_200000210301_100011999630 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.8 CSc1cc(cc(c1)O)O 62a_200000210301_100009868816 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.8 Cc1cc(cc(c1)C#N)O 271570a_203496583355_100011998626 [1,1,0,0,0,0|1,0,1]=4 1367 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [1,1,0,0,0,0|0,0,0]=2 1368 B10R1.8 Cc1cc(cc(c1)CO)O 271570a_203496583355_100000720511 [1,1,0,0,0,0|0,0,1]=3 1369 B10R1.8 Cc1cc(cc(c1)N[13CH3])O 34a_100011995906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.8 Cc1cc(cc(c1)N[13CH3])O 7a_100011995906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.8 Cc1cc(cc(c1)S[13CH3])O 62a_200025704644_100011999630 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.8 Cc1cc(cc(n1)C=O)O 271570a_203496583355_100009814795 [1,1,0,0,0,0|1,0,0]=3 1373 B10R1.8 Cc1cc(cc(n1)CO)O 271570a_203496583355_100010178681 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.8 Cc1cc(nc(c1)CO)O 271570a_203496583355_100000725198 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.8 N#Cc1cc(cc(c1)Br)O 271570a_203496583355_100009997436 [1,1,0,0,0,0|1,0,1]=4 1376 B10R1.8 N#Cc1cc(cc(c1)Cl)O 271570a_203496583355_100009827952 [1,1,0,0,0,0|1,0,1]=4 1377 B10R1.8 N#Cc1cc(cc(c1)F)O 271570a_203496583355_100000756176 [1,1,0,0,0,0|1,0,1]=4 1378 B10R1.8 N#Cc1cc(cc(c1)O)N 271570a_203496583355_100012002331 [1,1,0,0,0,0|1,0,1]=4 1379 B10R1.8 N#Cc1cc(cc(c1)O)O 271570a_203496583355_100012180112 [1,1,0,0,0,0|1,0,1]=4 1380 B10R1.8 NCc1cc(cc(c1)F)O 271570a_203496583355_100020611034 [1,1,0,0,0,0|1,0,1]=4 1381 B10R1.8 O=Cc1cc(cc(c1)Br)O 271570a_203496583355_100010185649 [1,1,0,0,0,0|0,0,0]=2 1382 B10R1.8 O=Cc1cc(cc(c1)F)O 271570a_203496583355_100011794424 [1,1,0,0,0,0|0,0,0]=2 1383 B10R1.8 O=Cc1cc(cc(c1)O)O 271570a_203496583355_100010176088 [1,1,0,0,0,0|0,0,0]=2 1384 B10R1.8 OCc1cc(cc(c1)Br)O 271570a_203496583355_100009814756 [1,1,0,0,0,0|0,0,1]=3 1385 B10R1.8 OCc1cc(cc(c1)F)O 271570a_203496583355_100000766897 [1,1,0,0,0,0|0,0,1]=3 1386 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)O 34a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)O 7a_100000123917_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.8 [13CH3]Nc1cc(cc(c1)O)O 34a_100000043371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)O 62a_100010068917_200025704644 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)O 62a_200025704644_100010068917 [1,1,0,0,0,0|2,0,0]=4 1391 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)O 62a_100010068924_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)O 62a_200025704644_100010068924 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.8 [13CH3]Sc1cc(cc(c1)F)O 62a_100000688818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.8 [13CH3]Sc1cc(cc(c1)F)O 62a_200025704644_100000688818 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.8 [13CH3]Sc1cc(cc(c1)O)O 62a_200025704644_100009868816 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.10 C=C=Cc1cc(ccn1)O 271570a_100015277604_100000762945 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|1,0,0]=3 1403 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|1,1,0]=4 1404 B10R1.10 C=C=Cc1cncc(c1)O 271570a_100015277604_100000754920 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,0]=3 1406 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,1]=4 1407 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,0]=3 1414 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,1,0]=4 1415 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 1417 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|1,0,1]=4 1422 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 1423 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 1426 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 1427 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1428 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 1429 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 1430 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 1431 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 1433 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 1434 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,1]=4 1435 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 1436 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1443 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|0,0,1]=3 1447 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|0,0,1]=3 1448 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|0,1,1]=4 1449 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|0,1,1]=4 1450 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,0]=2 1456 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,1]=3 1457 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1465 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1466 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 1467 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 1468 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1469 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1470 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 1471 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|0,1,1]=4 1472 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|0,1,1]=4 1473 B10R1.10 [N-]=[N+]=Nc1cccc(c1)O 271570a_203496583355_100000735707 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.30 C=Cc1cc(ccc1Br)Br 271570a_100011290941_100011483371 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.30 C=Cc1cc(ccc1Br)Cl 271570a_100011290941_100012339723 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.30 C=Cc1cc(ccc1Br)F 271570a_100011290941_100011217576 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.30 C=Cc1cc(ccc1Br)N 271570a_100011290941_100000750459 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,1,0,0,0,0|1,0,0]=3 1480 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,1,0,0,0,0|1,0,0]=3 1486 B10R1.30 C=Cc1cc(ccc1Cl)Br 271570a_100011290941_100011772130 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.30 C=Cc1cc(ccc1Cl)Cl 271570a_100011290941_100000707729 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.30 C=Cc1cc(ccc1Cl)F 271570a_100011290941_100011217299 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.30 C=Cc1cc(ccc1Cl)N 271570a_100011290941_100012360549 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,1,0,0,0,0|1,0,0]=3 1492 B10R1.30 C=Cc1cc(ccc1F)Br 271570a_100011290941_100011217312 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.30 C=Cc1cc(ccc1F)Cl 271570a_100011290941_100011218116 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.30 C=Cc1cc(ccc1F)F 271570a_100011290941_100000750033 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.30 C=Cc1cc(ccc1F)N 271570a_100011290941_100000760356 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,1,0,0,0,0|1,0,0]=3 1498 B10R1.30 C=Cc1cc(ccc1N)Br 271570a_100011290941_100000187925 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.30 C=Cc1cc(ccc1N)Cl 271570a_100011290941_100000761889 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.30 C=Cc1cc(ccc1N)F 271570a_100011290941_100000760547 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.30 C=Cc1cc(ccc1N)N 271570a_100011290941_100011534242 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,1,0,0,0,0|1,0,0]=3 1504 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,1,0,0,0,0|1,0,0]=3 1510 B10R1.30 C=Cc1cc(cnc1C)O 271570a_100011290941_100009819603 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.30 C=Cc1cc(cnc1F)O 271570a_100011290941_100009817267 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.30 C=Cc1cc(ncc1C)O 271570a_100011290941_100009831917 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,1,0,0,0,0|1,0,1]=4 1514 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,1,0,0,0,0|1,0,1]=4 1515 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|1,0,0]=3 1544 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.30 Cc1ccc(cc1C#N)O 271570a_203496583355_100000698047 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|0,0,0]=2 1548 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|0,0,1]=3 1549 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.30 Cc1ncc(cc1CO)O 271570a_203496583355_100010894652 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.30 N#Cc1cc(ccc1Br)O 271570a_203496583355_100012355174 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.30 N#Cc1cc(ccc1Cl)O 271570a_203496583355_100011356831 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.30 N#Cc1cc(ccc1F)O 271570a_203496583355_100000037165 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.30 N#Cc1cc(ccc1N)O 271570a_203496583355_100000688460 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.30 NCc1cc(ccc1F)O 271570a_203496583355_100009815772 [1,1,0,0,0,0|1,0,1]=4 1561 B10R1.30 NCc1cc(ccc1N)O 271570a_203496583355_100012349119 [1,1,0,0,0,0|1,0,1]=4 1562 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.30 NNc1cc(ccc1F)O 271570a_203496583355_100020610843 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,1,0,0,0,0|1,0,1]=4 1565 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,1,0,0,0,0|0,0,0]=2 1566 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [1,1,0,0,0,0|0,0,1]=3 1567 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [1,1,0,0,0,0|1,0,0]=3 1568 B10R1.30 Nc1ncc(cc1CO)O 271570a_203496583355_100011934449 [1,1,0,0,0,0|1,0,1]=4 1569 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,1,0,0,0,0|0,0,0]=2 1570 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,1,0,0,0,0|0,0,0]=2 1571 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,1,0,0,0,0|0,0,0]=2 1572 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,1,0,0,0,0|1,0,0]=3 1573 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,1,0,0,0,0|1,0,0]=3 1574 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,1,0,0,0,0|1,0,0]=3 1575 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|0,0,0]=2 1576 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|0,0,0]=2 1577 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [1,1,0,0,0,0|1,0,0]=3 1578 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [1,1,0,0,0,0|1,0,0]=3 1580 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [1,1,0,0,0,0|1,0,0]=3 1581 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [1,1,0,0,0,0|0,0,1]=3 1582 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [1,1,0,0,0,0|0,0,1]=3 1583 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [1,1,0,0,0,0|0,0,1]=3 1584 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,1,0,0,0,0|1,0,1]=4 1585 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,1,0,0,0,0|1,0,1]=4 1586 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,1,0,0,0,0|0,0,1]=3 1587 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,1,0,0,0,0|0,0,1]=3 1588 B10R1.30 OCc1cc(cnc1F)O 271570a_203496583355_100010202234 [1,1,0,0,0,0|1,0,1]=4 1589 B10R1.30 OCc1cc(cnc1O)O 271570a_203496583355_100010065268 [1,1,0,0,0,0|1,0,1]=4 1590 B10R1.30 OCc1cc(ncc1F)O 271570a_203496583355_100000081974 [1,1,0,0,0,0|1,0,1]=4 1591 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 1593 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 1594 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,1,0,0,0,0|2,0,0]=4 1595 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,1,0,0,0,0|2,0,0]=4 1597 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [1,1,0,0,0,0|1,0,1]=4 1604 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [1,1,0,0,0,0|1,0,1]=4 1605 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [1,1,0,0,0,0|1,0,1]=4 1606 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [1,1,0,0,0,0|1,0,1]=4 1607 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [1,1,0,0,0,0|1,0,0]=3 1612 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,1,0,0,0,0|2,0,0]=4 1614 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,1,0,0,0,0|2,0,0]=4 1615 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,1,0,0,0,0|1,0,0]=3 1616 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,1,0,0,0,0|2,0,0]=4 1617 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,1,0,0,0,0|2,0,0]=4 1620 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,1,0,0,0,0|1,0,0]=3 1621 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,1,0,0,0,0|1,0,0]=3 1622 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,1,0,0,0,0|1,0,0]=3 1623 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,1,0,0,0,0|1,0,0]=3 1624 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,1,0,0,0,0|1,0,0]=3 1625 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,1,0,0,0,0|1,1,0]=4 1626 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,1,0,0,0,0|1,1,0]=4 1627 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,1,0,0,0,0|1,1,0]=4 1628 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,1,0,0,0,0|1,1,0]=4 1629 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,1,0,0,0,0|1,1,0]=4 1630 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [1,1,0,0,0,0|2,0,0]=4 1635 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,1,0,0,0,0|1,0,1]=4 1640 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,1,0,0,0,0|1,0,1]=4 1641 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,1,0,0,0,0|1,0,1]=4 1642 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,1,0,0,0,0|1,0,1]=4 1643 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 1644 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 1645 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1648 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1649 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1650 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [1,1,0,0,0,0|1,0,1]=4 1651 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [1,1,0,0,0,0|1,0,1]=4 1652 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 1653 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [1,1,0,0,0,0|1,0,1]=4 1655 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,1,0,0,0,0|0,0,1]=3 1658 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,1,0,0,0,0|0,0,1]=3 1659 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,1,0,0,0,0|2,0,0]=4 1660 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [1,1,0,0,0,0|1,1,0]=4 1669 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [1,1,0,0,0,0|1,1,0]=4 1670 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,1,0,0,0,0|0,1,0]=3 1671 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,1,0,0,0,0|0,1,0]=3 1672 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,1,0,0,0,0|0,1,1]=4 1673 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,1,0,0,0,0|0,1,1]=4 1674 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1676 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,1,0,0,0,0|1,1,0]=4 1677 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,1,0,0,0,0|1,1,0]=4 1678 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [1,1,0,0,0,0|1,1,0]=4 1679 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [1,1,0,0,0,0|1,1,0]=4 1680 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [1,1,0,0,0,0|1,1,0]=4 1681 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [1,1,0,0,0,0|1,1,0]=4 1682 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 1683 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 1684 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [1,1,0,0,0,0|1,0,1]=4 1685 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [1,1,0,0,0,0|1,0,1]=4 1686 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 1687 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 1688 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [1,1,0,0,0,0|1,0,1]=4 1689 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [1,1,0,0,0,0|1,0,1]=4 1690 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1691 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,1,0,0,0,0|0,0,1]=3 1692 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,1,0,0,0,0|0,0,1]=3 1693 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [1,1,0,0,0,0|1,1,0]=4 1694 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [1,1,0,0,0,0|1,1,0]=4 1695 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,1,0,0,0,0|0,1,0]=3 1696 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,1,0,0,0,0|0,1,0]=3 1697 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,1,0,0,0,0|0,1,1]=4 1698 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,1,0,0,0,0|0,1,1]=4 1699 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,1,0,0,0,0|1,1,0]=4 1700 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,1,0,0,0,0|1,1,0]=4 1701 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [1,1,0,0,0,0|1,1,0]=4 1702 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [1,1,0,0,0,0|1,1,0]=4 1703 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [1,1,0,0,0,0|1,1,0]=4 1704 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [1,1,0,0,0,0|1,1,0]=4 1705 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.176 C=Cc1cc(c(cn1)F)O 271570a_100011290941_100009854642 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,1,0,0,0,0|2,0,0]=4 1721 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,1,0,0,0,0|2,0,0]=4 1724 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,1,0,0,0,0|2,0,0]=4 1730 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,1,0,0,0,0|2,0,0]=4 1731 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,1,0,0,0,0|2,0,0]=4 1733 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,1,0,0,0,0|2,0,0]=4 1734 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,1,0,0,0,0|2,0,0]=4 1735 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,1,0,0,0,0|2,0,0]=4 1736 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,1,0,0,0,0|2,0,0]=4 1737 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|2,0,0]=4 1738 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,1,0,0,0,0|1,0,0]=3 1739 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,1,0,0,0,0|1,0,0]=3 1740 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,1,0,0,0,0|1,0,0]=3 1741 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,1,0,0,0,0|1,0,0]=3 1742 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|1,0,0]=3 1744 B10R1.176 C=Cc1ccc(c(n1)O)F 271570a_100011290941_100010729010 [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.176 C=Cc1ccc(c(n1)O)N 271570a_100011290941_100000718904 [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.176 C=Cc1cnc(c(c1)O)F 271570a_100011290941_100009819871 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.176 C=Cc1cnc(c(c1)O)N 271570a_100011290941_100009819042 [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,1,0,0,0,0|1,0,1]=4 1750 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,1,0,0,0,0|1,0,1]=4 1751 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|1,0,1]=4 1752 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 1754 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 1755 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,1,0,0,0,0|2,0,0]=4 1762 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,1,0,0,0,0|2,0,0]=4 1763 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,1,0,0,0,0|2,0,0]=4 1767 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,1,0,0,0,0|2,0,0]=4 1770 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,1,0,0,0,0|2,0,0]=4 1771 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,1,0,0,0,0|2,0,0]=4 1772 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,1,0,0,0,0|2,0,0]=4 1773 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,1,0,0,0,0|2,0,0]=4 1774 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,1,0,0,0,0|2,0,0]=4 1775 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1776 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|1,0,0]=3 1779 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|1,0,1]=4 1780 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|2,0,0]=4 1782 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,1,0,0,0,0|1,0,1]=4 1783 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|0,0,0]=2 1784 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,1,0,0,0,0|0,0,1]=3 1785 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,1,0,0,0,0|2,0,0]=4 1786 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,1,0,0,0,0|1,0,0]=3 1791 B10R1.176 Cc1cnc(cc1O)CO 271570a_203496583355_100010113723 [1,1,0,0,0,0|1,0,1]=4 1792 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,1,0,0,0,0|1,0,1]=4 1794 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,1,0,0,0,0|1,0,1]=4 1795 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,1,0,0,0,0|1,0,1]=4 1796 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,1,0,0,0,0|1,0,1]=4 1797 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,1,0,0,0,0|1,0,1]=4 1798 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,1,0,0,0,0|1,0,1]=4 1799 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,1,0,0,0,0|1,0,1]=4 1800 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,1,0,0,0,0|2,0,0]=4 1801 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,1,0,0,0,0|1,0,1]=4 1802 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,1,0,0,0,0|1,0,0]=3 1803 B10R1.176 Nc1ncc(cc1O)CO 271570a_203496583355_100012343677 [1,1,0,0,0,0|1,0,1]=4 1804 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|1,0,0]=3 1805 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|0,0,0]=2 1806 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|0,0,0]=2 1807 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|0,0,0]=2 1808 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|0,0,0]=2 1809 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|0,0,0]=2 1810 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|2,0,0]=4 1811 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|1,0,0]=3 1812 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,1,0,0,0,0|1,0,1]=4 1813 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,1,0,0,0,0|1,0,1]=4 1814 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,1,0,0,0,0|0,0,1]=3 1815 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|0,0,1]=3 1816 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|0,0,1]=3 1817 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,1,0,0,0,0|1,0,1]=4 1818 B10R1.176 OCc1cnc(c(c1)O)Cl 271570a_203496583355_200015217190 [1,1,0,0,0,0|1,0,1]=4 1819 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,1,0,0,0,0|2,0,0]=4 1823 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,1,0,0,0,0|2,0,0]=4 1825 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,1,0,0,0,0|2,0,0]=4 1827 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,1,0,0,0,0|2,0,0]=4 1828 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,1,0,0,0,0|2,0,0]=4 1829 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1830 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,1,0,0,0,0|2,0,0]=4 1831 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,1,0,0,0,0|2,0,0]=4 1832 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|2,0,0]=4 1833 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|2,0,0]=4 1834 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|2,0,0]=4 1835 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|2,0,0]=4 1839 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,0]=3 1840 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,0]=3 1842 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,0]=3 1843 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,0]=3 1844 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|1,0,0]=3 1845 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|1,0,0]=3 1846 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|2,0,0]=4 1847 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|2,0,0]=4 1848 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|1,0,1]=4 1849 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|2,0,0]=4 1850 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|1,0,0]=3 1851 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 1852 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 1853 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,1,0,0,0,0|1,0,1]=4 1855 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,0]=3 1856 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,0]=3 1857 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,0]=3 1858 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,0]=3 1859 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|1,0,0]=3 1860 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,0]=3 1861 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,0]=3 1862 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1863 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1864 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1865 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,1]=4 1866 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 1867 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 1868 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 1869 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 1870 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,0]=3 1871 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|2,0,0]=4 1872 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|2,0,0]=4 1873 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|2,0,0]=4 1874 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|2,0,0]=4 1875 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|2,0,0]=4 1877 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|1,0,0]=3 1878 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|1,0,0]=3 1879 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|1,0,0]=3 1880 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|1,0,0]=3 1881 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|1,0,0]=3 1882 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|1,0,0]=3 1883 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|1,0,0]=3 1884 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|1,0,0]=3 1885 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|2,0,0]=4 1886 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|2,0,0]=4 1888 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|2,0,0]=4 1889 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|1,0,1]=4 1890 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|1,0,0]=3 1892 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|1,0,0]=3 1893 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|2,0,0]=4 1894 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|2,0,0]=4 1895 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|2,0,0]=4 1896 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|2,0,0]=4 1897 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|1,0,1]=4 1898 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|1,0,0]=3 1899 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|1,0,0]=3 1900 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|1,0,0]=3 1901 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|1,0,0]=3 1903 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|1,0,0]=3 1904 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,1,0|2,0,0]=4 1905 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,1,0|2,0,0]=4 1906 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,1,0|2,0,0]=4 1907 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,1,0|1,0,0]=3 1908 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,1,0|2,0,0]=4 1909 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,1,0|1,0,0]=3 1910 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,1,0|1,0,0]=3 1911 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,1,0|1,0,0]=3 1912 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,1,0|1,0,0]=3 1913 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,1,0|1,0,0]=3 1914 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,1,0|2,0,0]=4 1915 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,1,0|2,0,0]=4 1916 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,1,0|2,0,0]=4 1917 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,1,0|1,0,0]=3 1918 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,1,0|2,0,0]=4 1919 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,1,0|2,0,0]=4 1920 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,1,0|2,0,0]=4 1921 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,1,0,0,1,0|2,0,0]=4 1922 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,1,0|2,0,0]=4 1923 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,1,0|2,0,0]=4 1924 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,1,0|2,0,0]=4 1925 B10R1.194 NC(=O)c1scc(c1N)O 271570a_203496583355_100010220608 [0,1,0,0,1,0|2,0,0]=4 1926 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,1,0|1,0,0]=3 1927 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,1,0,0,1,0|2,0,0]=4 1928 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,1,0,0,1,0|2,0,0]=4 1929 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,1,0|1,0,0]=3 1930 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,1,0|1,0,0]=3 1931 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,1,0|1,0,0]=3 1932 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,1,0|2,0,0]=4 1933 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,1,0|1,0,0]=3 1934 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,1,0|1,0,0]=3 1935 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,1,0|2,0,0]=4 1936 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [0,1,0,0,0,1|2,0,0]=4 1937 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,1,0,0,0,1|2,0,0]=4 1942 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,1,0,0,0,1|2,0,0]=4 1973 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,1,0,0,0,1|2,0,0]=4 1975 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,1,0,0,0,1|2,0,0]=4 1976 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,1,0,0,0,1|2,0,0]=4 1978 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,1,0,0,0,1|2,0,0]=4 1979 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,1,0,0,0,1|2,0,0]=4 1981 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,1,0,0,0,1|1,0,0]=3 1982 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,1,0,0,0,1|1,0,0]=3 1983 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,1,0,0,0,1|1,0,0]=3 1984 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,1,0,0,0,1|2,0,0]=4 1985 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,1,0,0,0,1|2,0,0]=4 1986 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,1,0,0,0,1|2,0,0]=4 1987 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,1,0,0,0,1|2,0,0]=4 2001 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,1,0,0,0,1|2,0,0]=4 2004 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,1,0,0,0,1|2,0,0]=4 2005 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,1,0,0,0,1|2,0,0]=4 2006 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 2011 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 2012 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,1,0,0,0,1|2,0,0]=4 2014 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,1,0,0,0,1|2,0,0]=4 2017 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,1,0,0,0,1|2,0,0]=4 2018 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 2019 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 2020 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,1,0,0,0,1|2,0,0]=4 2021 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,1,0,0,0,1|2,0,0]=4 2022 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 2023 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 2024 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,1,0,0,0,1|2,0,0]=4 2025 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,1,0,0,0,1|2,0,0]=4 2026 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2027 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,1,0,0,0,1|2,0,0]=4 2039 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,1,0,0,0,1|2,0,0]=4 2040 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,1,0,0,0,1|2,0,0]=4 2041 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,1,0,0,0,1|2,0,0]=4 2042 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,1,0,0,0,1|2,0,0]=4 2043 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,1,0,0,0,1|2,0,0]=4 2044 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,1,0,0,0,1|2,0,0]=4 2045 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,1,0,0,0,1|2,0,0]=4 2046 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,1,0,0,0,1|2,0,0]=4 2050 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,1,0,0,0,1|2,0,0]=4 2052 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,1,0,0,0,1|2,0,0]=4 2053 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,1,0,0,0,1|2,0,0]=4 2054 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,1,0,0,0,1|2,0,0]=4 2055 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,1,0,0,0,1|2,0,0]=4 2056 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,1,0,0,0,1|2,0,0]=4 2057 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,1,0,0,0,1|2,0,0]=4 2058 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,1,0,0,0,1|2,0,0]=4 2059 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,1,0,0,0,1|2,0,0]=4 2060 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,1,0,0,0,1|2,0,0]=4 2061 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,1,0,0,0,1|2,0,0]=4 2062 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,1,0,0,0,1|2,0,0]=4 2063 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,1,0,0,0,1|2,0,0]=4 2064 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,1,0,0,0,1|2,0,0]=4 2065 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,1,0,0,0,1|2,0,0]=4 2066 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,1,0,0,0,1|2,0,0]=4 2067 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,1,0,0,0,1|2,0,0]=4 2068 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,1,0,0,0,1|2,0,0]=4 2069 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,1,0,0,0,1|2,0,0]=4 2070 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,1,0,0,0,1|2,0,0]=4 2071 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,1,0,0,0,1|2,0,0]=4 2072 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,1,0,0,0,1|2,0,0]=4 2073 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,1,0,0,0,1|2,0,0]=4 2074 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2075 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2076 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,1,0,0,0,1|2,0,0]=4 2077 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,1,0,0,0,1|2,0,0]=4 2078 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,1,0,0,0,1|2,0,0]=4 2079 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,1,0,0,0,1|2,0,0]=4 2080 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,1,0,0,0,1|2,0,0]=4 2081 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,1,0,0,0,1|2,0,0]=4 2082 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,1,0,0,0,1|2,0,0]=4 2083 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,1,0,0,0,1|2,0,0]=4 2084 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,1,0,0,0,1|1,0,0]=3 2087 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,1,0,0,0,1|1,0,0]=3 2088 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,1,0,0,0,1|1,0,0]=3 2089 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,1,0,0,0,1|1,0,0]=3 2090 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,1,0,0,0,1|1,0,0]=3 2091 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,1,0,0,0,1|1,0,0]=3 2092 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,1,0,0,0,1|1,0,0]=3 2093 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,1,0,0,0,1|1,0,0]=3 2094 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,1,0,0,0,1|1,0,0]=3 2095 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,1,0,0,0,1|1,0,0]=3 2096 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,1,0,0,0,1|1,0,0]=3 2097 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,1,0,0,0,1|2,0,0]=4 2098 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,1,0,0,0,1|2,0,0]=4 2099 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,0,1|2,0,0]=4 2100 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,0,0,0,1|2,0,0]=4 2101 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,1,0,0,0,1|2,0,0]=4 2102 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,1,0,0,0,1|2,0,0]=4 2103 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,1,0,0,0,1|2,0,0]=4 2104 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,1,0,0,0,1|1,0,0]=3 2105 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,1,0,0,0,1|2,0,0]=4 2106 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,1,0,0,0,1|2,0,0]=4 2107 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,1,0,0,0,1|2,0,0]=4 2108 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,1,0,0,0,1|2,0,0]=4 2109 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,1,0,0,0,1|2,0,0]=4 2110 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,1,0,0,0,1|2,0,0]=4 2111 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,1,0,0,0,1|2,0,0]=4 2112 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,1,0,0,0,1|2,0,0]=4 2113 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,1,0,0,0,1|2,0,0]=4 2114 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,1,0,0,0,1|2,0,0]=4 2117 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,1,0,0,0,1|1,0,0]=3 2118 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,1,0,0,0,1|2,0,0]=4 2119 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,1,0,0,0,1|2,0,0]=4 2120 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,1,0,0,0,1|2,0,0]=4 2121 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,1,0,0,0,1|2,0,0]=4 2122 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,1,0,0,0,1|2,0,0]=4 2123 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,1,0,0,0,1|1,0,0]=3 2124 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,1|2,0,0]=4 2125 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,1|2,0,0]=4 2126 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,1|2,0,0]=4 2127 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,1|2,0,0]=4 2128 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,1|2,0,0]=4 2129 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,1|1,0,0]=3 2130 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,1|2,0,0]=4 2131 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,1|2,0,0]=4 2132 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 2134 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,1|2,0,0]=4 2135 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,1|2,0,0]=4 2136 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,1|2,0,0]=4 2137 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,1|2,0,0]=4 2138 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,1|2,0,0]=4 2139 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,1|2,0,0]=4 2140 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,1|1,0,0]=3 2141 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,1|1,0,0]=3 2142 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [0,1,0,0,0,1|1,0,1]=4 2143 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [0,1,0,0,0,1|1,0,1]=4 2144 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,1|2,0,0]=4 2145 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,1|2,0,0]=4 2146 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|2,0,0]=4 2147 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|2,0,0]=4 2148 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,1|2,0,0]=4 2149 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,1|2,0,0]=4 2150 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,1|2,0,0]=4 2151 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,1|2,0,0]=4 2152 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,1|2,0,0]=4 2153 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,1|2,0,0]=4 2154 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,1|1,0,0]=3 2155 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,1|1,0,0]=3 2156 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 2157 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 2158 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 2159 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 2160 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 2161 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 2162 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 2163 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 2164 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 2165 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 2166 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 2167 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 2168 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 2169 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 2170 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 2171 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 2172 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 2173 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 2174 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 2175 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2176 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2177 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,0,1|1,0,0]=3 2178 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,1|2,0,0]=4 2179 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,1|2,0,0]=4 2180 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,1|2,0,0]=4 2181 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|2,0,0]=4 2182 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 2183 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 2184 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 2185 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,1|2,0,0]=4 2186 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,1|2,0,0]=4 2187 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,1|2,0,0]=4 2188 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,1|2,0,0]=4 2189 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,1|2,0,0]=4 2190 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,1|2,0,0]=4 2191 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,1|2,0,0]=4 2192 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,1|2,0,0]=4 2194 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,1|2,0,0]=4 2195 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,1|2,0,0]=4 2196 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,1|2,0,0]=4 2197 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 2198 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,1|1,0,0]=3 2199 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,1|2,0,0]=4 2200 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 2202 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 2203 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,1|2,0,0]=4 2204 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,1|2,0,0]=4 2205 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,1|2,0,0]=4 2206 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,1|2,0,0]=4 2207 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,1|2,0,0]=4 2208 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 2209 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,1|1,0,0]=3 2210 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,1,0,0,0,1|1,0,0]=3 2211 B12R1.50 COC(=O)Cc1cc(ncn1)O 271570a_203496583355_100000104187 [0,1,0,0,0,1|2,0,0]=4 2212 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,1|0,0,0]=2 2213 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,1,0,0,0,1|1,0,0]=3 2214 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,1,0,0,0,1|1,0,0]=3 2215 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [0,1,0,0,0,1|1,0,1]=4 2216 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [0,1,0,0,0,1|1,0,1]=4 2217 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,1,0,0,0,1|2,0,0]=4 2218 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,1|2,0,0]=4 2219 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,1|1,0,0]=3 2220 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|1,0,0]=3 2221 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|1,0,0]=3 2222 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,1,0,0,0,1|2,0,0]=4 2223 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,1,0,0,0,1|2,0,0]=4 2224 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,1,0,0,0,1|2,0,0]=4 2225 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,1,0,0,0,1|1,0,1]=4 2226 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,1,0,0,0,1|2,0,0]=4 2227 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,1,0,0,0,1|2,0,0]=4 2228 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,1,0,0,0,1|2,0,0]=4 2229 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,1,0,0,0,1|2,0,0]=4 2230 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,0,0,0,1|1,0,0]=3 2231 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,1,0,0,0,1|2,0,0]=4 2232 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,1,0,0,0,1|2,0,0]=4 2233 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,0,0,0,1|1,0,0]=3 2234 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,0,0,0,1|1,0,0]=3 2235 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,0,0,0,1|1,0,0]=3 2236 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,0,0,0,1|1,0,0]=3 2237 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,0,0,0,1|0,0,0]=2 2238 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,1,0,0,0,1|2,0,0]=4 2239 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,1,0,0,0,1|2,0,0]=4 2240 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,1,0,0,0,1|2,0,0]=4 2241 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,1,0,0,0,1|2,0,0]=4 2242 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,1,0,0,0,1|2,0,0]=4 2243 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,1,0,0,0,1|2,0,0]=4 2244 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,1,0,0,0,1|2,0,0]=4 2245 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,1,0,0,0,1|2,0,0]=4 2246 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,0,0,0,1|1,0,0]=3 2247 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,0,0,0,1|1,0,0]=3 2248 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,0,0,0,1|1,0,0]=3 2249 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,0,0,0,1|1,0,0]=3 2250 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,0,0,0,1|1,0,0]=3 2251 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,0,0,0,1|1,0,0]=3 2252 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,0,0,0,1|1,0,0]=3 2253 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,0,0,0,1|0,0,0]=2 2254 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,0,0,0,1|0,0,0]=2 2255 B12R1.101 CC(=Cc1cc(cc(c1)Br)O)C 271570a_100102525489_100010068917 [0,1,0,0,0,1|2,0,0]=4 2256 B12R1.101 CC(=Cc1cc(cc(c1)Cl)O)C 271570a_100102525489_100010068924 [0,1,0,0,0,1|2,0,0]=4 2257 B12R1.101 CC(=Cc1cc(cc(c1)F)O)C 271570a_100102525489_100000717995 [0,1,0,0,0,1|2,0,0]=4 2258 B12R1.101 CC(=Cc1cc(cc(c1)O)C)C 271570a_100102525489_100011999630 [0,1,0,0,0,1|2,0,0]=4 2259 B12R1.101 CC(=Cc1cc(cc(c1)O)O)C 271570a_100102525489_100009868816 [0,1,0,0,0,1|2,0,0]=4 2260 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000070787_100011216082 [0,1,0,0,0,1|2,0,0]=4 2261 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200000210301 [0,1,0,0,0,1|2,0,0]=4 2262 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,1,0,0,0,1|2,0,0]=4 2263 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000070787_100000766940 [0,1,0,0,0,1|2,0,0]=4 2264 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200000210301 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,1,0,0,0,1|2,0,0]=4 2266 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,1,0,0,0,1|2,0,0]=4 2267 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [0,1,0,0,0,1|2,0,0]=4 2268 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [0,1,0,0,0,1|2,0,0]=4 2269 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000070787_100011219885 [0,1,0,0,0,1|2,0,0]=4 2270 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200000210301 [0,1,0,0,0,1|2,0,0]=4 2271 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,1,0,0,0,1|2,0,0]=4 2272 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,1,0,0,0,1|2,0,0]=4 2273 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100000070787_100000697002 [0,1,0,0,0,1|2,0,0]=4 2274 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200000210301 [0,1,0,0,0,1|2,0,0]=4 2275 B12R1.101 CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000070787_100010146614 [0,1,0,0,0,1|2,0,0]=4 2276 B12R1.101 CC(=O)Cc1cc(cc(c1)I)F 1458a_100000070787_100010149605 [0,1,0,0,0,1|2,0,0]=4 2277 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 11a_100012047176_100015343762 [0,1,0,0,0,1|2,0,0]=4 2278 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 1626a_100012047176_100015343762 [0,1,0,0,0,1|2,0,0]=4 2279 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 22a_100012047176_100000070787 [0,1,0,0,0,1|2,0,0]=4 2280 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 527a_100012047176_100103153847 [0,1,0,0,0,1|2,0,0]=4 2281 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2282 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2283 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,1,0,0,0,1|2,0,0]=4 2284 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,1,0,0,0,1|2,0,0]=4 2285 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 11a_100011934539_100015343762 [0,1,0,0,0,1|2,0,0]=4 2286 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 1626a_100011934539_100015343762 [0,1,0,0,0,1|2,0,0]=4 2287 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100000070787 [0,1,0,0,0,1|2,0,0]=4 2288 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 11a_100000705686_100015343762 [0,1,0,0,0,1|2,0,0]=4 2289 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 1626a_100000705686_100015343762 [0,1,0,0,0,1|2,0,0]=4 2290 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 22a_100000705686_100000070787 [0,1,0,0,0,1|2,0,0]=4 2291 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 2292 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 2293 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,1,0,0,0,1|2,0,0]=4 2294 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,1,0,0,0,1|2,0,0]=4 2295 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 2296 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 2297 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,1,0,0,0,1|2,0,0]=4 2298 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 11a_100000210456_100015343762 [0,1,0,0,0,1|2,0,0]=4 2299 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 1626a_100000210456_100015343762 [0,1,0,0,0,1|2,0,0]=4 2300 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000070787 [0,1,0,0,0,1|2,0,0]=4 2301 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 11a_100000686136_100015343762 [0,1,0,0,0,1|2,0,0]=4 2302 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 1626a_100000686136_100015343762 [0,1,0,0,0,1|2,0,0]=4 2303 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 22a_100000686136_100000070787 [0,1,0,0,0,1|2,0,0]=4 2304 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100015343762 [0,1,0,0,0,1|1,0,0]=3 2305 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000070787 [0,1,0,0,0,1|1,0,0]=3 2306 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 2307 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 2308 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,1,0,0,0,1|2,0,0]=4 2309 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,1,0,0,0,1|2,0,0]=4 2310 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 11a_100000233717_100015343762 [0,1,0,0,0,1|2,0,0]=4 2311 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 1626a_100000233717_100015343762 [0,1,0,0,0,1|2,0,0]=4 2312 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 22a_100000233717_100000070787 [0,1,0,0,0,1|2,0,0]=4 2313 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 11a_100009814763_100015343762 [0,1,0,0,0,1|2,0,0]=4 2314 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 1626a_100009814763_100015343762 [0,1,0,0,0,1|2,0,0]=4 2315 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 22a_100009814763_100000070787 [0,1,0,0,0,1|2,0,0]=4 2316 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 527a_100009814763_100103153847 [0,1,0,0,0,1|2,0,0]=4 2317 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 11a_100010147676_100015343762 [0,1,0,0,0,1|2,0,0]=4 2318 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 1626a_100010147676_100015343762 [0,1,0,0,0,1|2,0,0]=4 2319 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 22a_100010147676_100000070787 [0,1,0,0,0,1|2,0,0]=4 2320 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 11a_100011356972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2321 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 1626a_100011356972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2322 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 22a_100011356972_100000070787 [0,1,0,0,0,1|2,0,0]=4 2323 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 11a_200000696836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2324 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 1626a_200000696836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2325 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 22a_200000696836_100000070787 [0,1,0,0,0,1|2,0,0]=4 2326 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 527a_200000696836_100103153847 [0,1,0,0,0,1|2,0,0]=4 2327 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,1,0,0,0,1|1,0,0]=3 2328 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,1,0,0,0,1|1,0,0]=3 2329 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,1,0,0,0,1|1,0,0]=3 2330 B12R1.101 CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100103153847 [0,1,0,0,0,1|1,0,0]=3 2331 B12R1.101 CC(=O)Oc1cc(cc(c1)F)O 271570a_203496583355_200015324874 [0,1,0,0,0,1|1,0,0]=3 2332 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,1,0,0,0,1|2,0,0]=4 2333 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,1,0,0,0,1|2,0,0]=4 2334 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200025704644 [0,1,0,0,0,1|2,0,0]=4 2335 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200025704644 [0,1,0,0,0,1|2,0,0]=4 2336 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [0,1,0,0,0,1|2,0,0]=4 2337 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200025704644 [0,1,0,0,0,1|2,0,0]=4 2338 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200025704644 [0,1,0,0,0,1|2,0,0]=4 2339 B12R1.119 CS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_200009814643 [0,1,0,0,0,1|1,0,1]=4 2340 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O 271570a_203496583355_100000165606 [0,1,0,0,0,1|1,0,1]=4 2341 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O 40a_100000210217_100000738038 [0,1,0,0,0,1|1,0,1]=4 2342 B12R1.119 NS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_100000725052 [0,1,0,0,0,1|1,0,1]=4 2343 B12R1.127 CC(=Cc1cc(ccc1Br)O)C 271570a_100102525489_100012339312 [0,1,0,0,0,1|2,0,0]=4 2344 B12R1.127 CC(=Cc1cc(ccc1C)O)C 271570a_100102525489_100011380479 [0,1,0,0,0,1|2,0,0]=4 2345 B12R1.127 CC(=Cc1cc(ccc1Cl)O)C 271570a_100102525489_100000049588 [0,1,0,0,0,1|2,0,0]=4 2346 B12R1.127 CC(=Cc1cc(ccc1F)O)C 271570a_100102525489_100000693481 [0,1,0,0,0,1|2,0,0]=4 2347 B12R1.127 CC(=Cc1cc(ccc1N)O)C 271570a_100102525489_100012001276 [0,1,0,0,0,1|2,0,0]=4 2348 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,1,0,0,0,1|2,0,0]=4 2349 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,1,0,0,0,1|2,0,0]=4 2350 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,1,0,0,0,1|2,0,0]=4 2351 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,1,0,0,0,1|2,0,0]=4 2352 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,1,0,0,0,1|2,0,0]=4 2353 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,1,0,0,0,1|2,0,0]=4 2354 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,1,0,0,0,1|2,0,0]=4 2355 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,1,0,0,0,1|2,0,0]=4 2356 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,1,0,0,0,1|2,0,0]=4 2357 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,1,0,0,0,1|2,0,0]=4 2360 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,1,0,0,0,1|2,0,0]=4 2361 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,1,0,0,0,1|2,0,0]=4 2363 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,1,0,0,0,1|2,0,0]=4 2366 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,1,0,0,0,1|2,0,0]=4 2367 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,1,0,0,0,1|2,0,0]=4 2368 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,1,0,0,0,1|2,0,0]=4 2369 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,1,0,0,0,1|2,0,0]=4 2372 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,1,0,0,0,1|2,0,0]=4 2373 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,1,0,0,0,1|2,0,0]=4 2374 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,1,0,0,0,1|2,0,0]=4 2375 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,1,0,0,0,1|2,0,0]=4 2376 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,1,0,0,0,1|2,0,0]=4 2377 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,1,0,0,0,1|2,0,0]=4 2378 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,1,0,0,0,1|2,0,0]=4 2379 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,1,0,0,0,1|2,0,0]=4 2380 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,1,0,0,0,1|2,0,0]=4 2381 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,1,0,0,0,1|2,0,0]=4 2382 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,1,0,0,0,1|2,0,0]=4 2383 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,1,0,0,0,1|2,0,0]=4 2384 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,1,0,0,0,1|2,0,0]=4 2385 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,1,0,0,0,1|1,0,0]=3 2386 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,1,0,0,0,1|1,0,0]=3 2387 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,1,0,0,0,1|2,0,0]=4 2388 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,1,0,0,0,1|2,0,0]=4 2389 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 2390 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 2391 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,1,0,0,0,1|2,0,0]=4 2392 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,1,0,0,0,1|2,0,0]=4 2393 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,1,0,0,0,1|2,0,0]=4 2394 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,1,0,0,0,1|2,0,0]=4 2395 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,1,0,0,0,1|2,0,0]=4 2396 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,1,0,0,0,1|2,0,0]=4 2397 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,1,0,0,0,1|1,0,0]=3 2398 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,1,0,0,0,1|1,0,0]=3 2399 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 2400 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 2401 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,1,0,0,0,1|2,0,0]=4 2402 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,1,0,0,0,1|2,0,0]=4 2403 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 2404 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 2405 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,1|2,0,0]=4 2406 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 2407 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 2408 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,1,0,0,0,1|2,0,0]=4 2409 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,1,0,0,0,1|2,0,0]=4 2410 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 2411 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 2412 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,1,0,0,0,1|2,0,0]=4 2413 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 2414 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 2415 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,1,0,0,0,1|2,0,0]=4 2416 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,1,0,0,0,1|2,0,0]=4 2417 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,1,0,0,0,1|1,0,0]=3 2418 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,1,0,0,0,1|1,0,0]=3 2419 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,1,0,0,0,1|1,0,0]=3 2420 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,1,0,0,0,1|2,0,0]=4 2421 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,1,0,0,0,1|2,0,0]=4 2422 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 2423 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 2424 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,1,0,0,0,1|2,0,0]=4 2425 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,1,0,0,0,1|2,0,0]=4 2426 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,1,0,0,0,1|2,0,0]=4 2427 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,1,0,0,0,1|2,0,0]=4 2429 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,1,0,0,0,1|2,0,0]=4 2431 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,1,0,0,0,1|1,0,0]=3 2432 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,1,0,0,0,1|2,0,0]=4 2433 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,1,0,0,0,1|2,0,0]=4 2434 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,1,0,0,0,1|2,0,0]=4 2435 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 2436 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 2437 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,1,0,0,0,1|2,0,0]=4 2438 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,1,0,0,0,1|2,0,0]=4 2440 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,1,0,0,0,1|2,0,0]=4 2441 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,1,0,0,0,1|2,0,0]=4 2443 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,1,0,0,0,1|2,0,0]=4 2444 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,1,0,0,0,1|2,0,0]=4 2445 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,1,0,0,0,1|2,0,0]=4 2446 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,1,0,0,0,1|1,0,0]=3 2447 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,1,0,0,0,1|1,0,0]=3 2448 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,1,0,0,0,1|1,0,0]=3 2449 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,1,0,0,0,1|1,0,0]=3 2450 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2451 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2455 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2456 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,1,0,0,0,1|2,0,0]=4 2457 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,1,0,0,0,1|2,0,0]=4 2458 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,1,0,0,0,1|2,0,0]=4 2459 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,1,0,0,0,1|2,0,0]=4 2460 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,1,0,0,0,1|2,0,0]=4 2461 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,0,1|2,0,0]=4 2462 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,0,1|2,0,0]=4 2463 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,0,1|2,0,0]=4 2464 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,1,0,0,0,1|2,0,0]=4 2465 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,1,0,0,0,1|2,0,0]=4 2466 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,1,0,0,0,1|2,0,0]=4 2467 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,1,0,0,0,1|2,0,0]=4 2468 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,1,0,0,0,1|2,0,0]=4 2469 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,1,0,0,0,1|2,0,0]=4 2470 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,1,0,0,0,1|2,0,0]=4 2471 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,1,0,0,0,1|2,0,0]=4 2472 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,1,0,0,0,1|1,0,0]=3 2473 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,1,0,0,0,1|2,0,0]=4 2477 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,1,0,0,0,1|2,0,0]=4 2479 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,1,0,0,0,1|2,0,0]=4 2480 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,1,0,0,0,1|2,0,0]=4 2481 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,1,0,0,0,1|2,0,0]=4 2482 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,1,0,0,0,1|2,0,0]=4 2483 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,1,0,0,0,1|2,0,0]=4 2484 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,1,0,0,0,1|2,0,0]=4 2485 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,1,0,0,0,1|2,0,0]=4 2486 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,1,0,0,0,1|2,0,0]=4 2489 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,1,0,0,0,1|1,0,0]=3 2490 B12R1.224 CC(=Cc1cccc(c1Br)O)C 271570a_100102525489_100010187914 [0,1,0,0,0,1|2,0,0]=4 2491 B12R1.224 CC(=Cc1cccc(c1C)O)C 271570a_100102525489_100012002258 [0,1,0,0,0,1|2,0,0]=4 2492 B12R1.224 CC(=Cc1cccc(c1Cl)O)C 271570a_100102525489_100000049636 [0,1,0,0,0,1|2,0,0]=4 2493 B12R1.224 CC(=Cc1cccc(c1F)O)C 271570a_100102525489_100009817021 [0,1,0,0,0,1|2,0,0]=4 2494 B12R1.224 CC(=Cc1cccc(c1N)O)C 271570a_100102525489_100011934926 [0,1,0,0,0,1|2,0,0]=4 2495 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,1,0,0,0,1|2,0,0]=4 2496 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,1,0,0,0,1|2,0,0]=4 2497 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,1,0,0,0,1|2,0,0]=4 2498 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,1,0,0,0,1|2,0,0]=4 2499 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,1,0,0,0,1|2,0,0]=4 2500 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,1,0,0,0,1|2,0,0]=4 2501 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,1,0,0,0,1|2,0,0]=4 2502 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,1,0,0,0,1|2,0,0]=4 2503 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,1,0,0,0,1|2,0,0]=4 2504 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,1,0,0,0,1|2,0,0]=4 2505 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,1,0,0,0,1|2,0,0]=4 2506 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,1,0,0,0,1|2,0,0]=4 2507 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,1,0,0,0,1|2,0,0]=4 2508 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,1,0,0,0,1|2,0,0]=4 2509 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,1,0,0,0,1|2,0,0]=4 2510 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,1,0,0,0,1|2,0,0]=4 2511 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,1,0,0,0,1|2,0,0]=4 2512 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,1,0,0,0,1|2,0,0]=4 2513 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,1,0,0,0,1|2,0,0]=4 2514 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,1,0,0,0,1|2,0,0]=4 2515 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,1,0,0,0,1|2,0,0]=4 2516 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,1,0,0,0,1|2,0,0]=4 2517 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,1,0,0,0,1|2,0,0]=4 2518 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,1,0,0,0,1|2,0,0]=4 2519 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,1,0,0,0,1|2,0,0]=4 2520 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,1,0,0,0,1|2,0,0]=4 2521 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,1,0,0,0,1|2,0,0]=4 2522 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,1,0,0,0,1|2,0,0]=4 2523 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,1,0,0,0,1|2,0,0]=4 2524 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 2525 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 2526 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,1,0,0,0,1|2,0,0]=4 2527 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100015343762 [0,1,0,0,0,1|2,0,0]=4 2528 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100015343762 [0,1,0,0,0,1|2,0,0]=4 2529 B12R1.224 CC(=O)Nc1cccc(c1Br)F 11a_100011934729_100015343762 [0,1,0,0,0,1|2,0,0]=4 2530 B12R1.224 CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100015343762 [0,1,0,0,0,1|2,0,0]=4 2531 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,1,0,0,0,1|1,0,0]=3 2532 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 2533 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 2534 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,1,0,0,0,1|2,0,0]=4 2535 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,1,0,0,0,1|2,0,0]=4 2536 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 2537 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 2538 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,1|2,0,0]=4 2539 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,1|2,0,0]=4 2540 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 2541 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 2542 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,1,0,0,0,1|2,0,0]=4 2543 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,1,0,0,0,1|2,0,0]=4 2544 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 2545 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 2546 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,1,0,0,0,1|2,0,0]=4 2547 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,1,0,0,0,1|2,0,0]=4 2548 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 2549 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 2550 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,1,0,0,0,1|2,0,0]=4 2551 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,1,0,0,0,1|2,0,0]=4 2552 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,1,0,0,0,1|1,0,0]=3 2553 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,1,0,0,0,1|1,0,0]=3 2554 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,1,0,0,0,1|1,0,0]=3 2555 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100015343762 [0,1,0,0,0,1|2,0,0]=4 2556 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100015343762 [0,1,0,0,0,1|2,0,0]=4 2557 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100103153847 [0,1,0,0,0,1|2,0,0]=4 2558 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 2559 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 2560 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,1,0,0,0,1|2,0,0]=4 2561 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100015343762 [0,1,0,0,0,1|2,0,0]=4 2562 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100015343762 [0,1,0,0,0,1|2,0,0]=4 2563 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100015343762 [0,1,0,0,0,1|2,0,0]=4 2564 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100015343762 [0,1,0,0,0,1|2,0,0]=4 2565 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000070787 [0,1,0,0,0,1|2,0,0]=4 2566 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,1,0,0,0,1|1,0,0]=3 2567 B12R1.224 CC(=O)Nc1cccc(c1F)Br 11a_100011935091_100015343762 [0,1,0,0,0,1|2,0,0]=4 2568 B12R1.224 CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100015343762 [0,1,0,0,0,1|2,0,0]=4 2569 B12R1.224 CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000070787 [0,1,0,0,0,1|2,0,0]=4 2570 B12R1.224 CC(=O)Nc1cccc(c1F)Br 527a_100011935091_100103153847 [0,1,0,0,0,1|2,0,0]=4 2571 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2572 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2573 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,1,0,0,0,1|2,0,0]=4 2574 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100015343762 [0,1,0,0,0,1|2,0,0]=4 2575 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100015343762 [0,1,0,0,0,1|2,0,0]=4 2576 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000070787 [0,1,0,0,0,1|2,0,0]=4 2577 B12R1.224 CC(=O)Nc1cccc(c1F)F 11a_100000743855_100015343762 [0,1,0,0,0,1|2,0,0]=4 2578 B12R1.224 CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100015343762 [0,1,0,0,0,1|2,0,0]=4 2579 B12R1.224 CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000070787 [0,1,0,0,0,1|2,0,0]=4 2580 B12R1.224 CC(=O)Nc1cccc(c1I)Br 11a_100020590159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2581 B12R1.224 CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2582 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 2583 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 2584 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100015343762 [0,1,0,0,0,1|2,0,0]=4 2585 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100015343762 [0,1,0,0,0,1|2,0,0]=4 2586 B12R1.224 CC(=O)Nc1cccc(c1I)F 11a_100000690935_100015343762 [0,1,0,0,0,1|2,0,0]=4 2587 B12R1.224 CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100015343762 [0,1,0,0,0,1|2,0,0]=4 2588 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,1,0,0,0,1|2,0,0]=4 2589 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,1,0,0,0,1|2,0,0]=4 2590 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,0,1|2,0,0]=4 2591 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,0,1|2,0,0]=4 2592 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,0,1|2,0,0]=4 2593 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,0,1|2,0,0]=4 2594 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,1,0,0,0,1|2,0,0]=4 2595 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,1,0,0,0,1|2,0,0]=4 2596 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,1,0,0,0,1|2,0,0]=4 2597 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,1,0,0,0,1|2,0,0]=4 2598 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,1,0,0,0,1|2,0,0]=4 2599 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,1,0,0,0,1|2,0,0]=4 2600 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,1,0,0,0,1|2,0,0]=4 2601 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,1,0,0,0,1|2,0,0]=4 2602 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,1,0,0,0,1|2,0,0]=4 2603 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,1,0,0,0,1|2,0,0]=4 2604 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,1,0,0,0,1|2,0,0]=4 2605 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,1,0,0,0,1|2,0,0]=4 2606 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,1,0,0,0,1|2,0,0]=4 2607 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,1,0,0,0,1|2,0,0]=4 2608 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,1,0,0,0,1|2,0,0]=4 2609 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,1,0,0,0,1|2,0,0]=4 2610 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,1,0,0,0,1|2,0,0]=4 2611 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,1,0,0,0,1|2,0,0]=4 2612 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,1,0,0,0,1|2,0,0]=4 2613 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,1,0,0,0,1|2,0,0]=4 2614 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,1,0,0,0,1|2,0,0]=4 2615 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,0,0,0,1|2,0,0]=4 2616 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,0,0,0,1|2,0,0]=4 2617 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,0,0,0,1|2,0,0]=4 2618 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,0,1|2,0,0]=4 2619 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,0,0,0,1|2,0,0]=4 2620 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,0,0,0,1|2,0,0]=4 2621 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,1,0,0,0,1|2,0,0]=4 2622 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,1,0,0,0,1|2,0,0]=4 2623 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,1,0,0,0,1|2,0,0]=4 2624 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,1,0,0,0,1|2,0,0]=4 2625 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2626 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2627 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,0,1|2,0,0]=4 2628 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,1,0,0,0,1|2,0,0]=4 2629 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,1,0,0,0,1|2,0,0]=4 2630 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,1,0,0,0,1|2,0,0]=4 2631 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,1,0,0,0,1|2,0,0]=4 2632 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,1,0,0,0,1|2,0,0]=4 2633 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,1,0,0,0,1|2,0,0]=4 2634 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,1,0,0,0,1|2,0,0]=4 2635 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,1,0,0,0,1|2,0,0]=4 2636 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,1,0,0,0,1|2,0,0]=4 2637 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,0,0,0,1|1,0,0]=3 2638 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,0,1|2,0,0]=4 2639 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,0,0,0,1|2,0,0]=4 2640 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,0,0,0,1|2,0,0]=4 2641 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,0,0,0,1|2,0,0]=4 2642 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,0,1|2,0,0]=4 2643 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,0,1|2,0,0]=4 2644 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,0,0,0,1|2,0,0]=4 2645 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,0,0,0,1|2,0,0]=4 2646 B12R1.438 C#Cc1cccc(c1)NC(=O)C 11a_100000735509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2647 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1626a_100000735509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2648 B12R1.438 C#Cc1cccc(c1)NC(=O)C 22a_100000735509_100000070787 [0,1,0,0,0,1|2,0,0]=4 2649 B12R1.438 C#Cc1cccc(c1)NC(=O)C 527a_100000735509_100103153847 [0,1,0,0,0,1|2,0,0]=4 2650 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [0,1,0,0,0,1|2,0,0]=4 2651 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [0,1,0,0,0,1|2,0,0]=4 2652 B12R1.438 C=Cc1cccc(c1)NC(=O)C 11a_100011827668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2653 B12R1.438 C=Cc1cccc(c1)NC(=O)C 1626a_100011827668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2654 B12R1.438 C=Cc1cccc(c1)NC(=O)C 22a_100011827668_100000070787 [0,1,0,0,0,1|2,0,0]=4 2655 B12R1.438 C=Cc1cccc(c1)NC(=O)C 271570a_100011290941_100000153616 [0,1,0,0,0,1|2,0,0]=4 2656 B12R1.438 C=Cc1cccc(c1)NC(=O)C 527a_100011827668_100103153847 [0,1,0,0,0,1|2,0,0]=4 2657 B12R1.438 C=Cc1cccc(c1)NC(=O)N 271570a_100011290941_100000238923 [0,1,0,0,0,1|2,0,0]=4 2658 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,1,0,0,0,1|2,0,0]=4 2659 B12R1.438 CC(=Cc1cccc(c1)CO)C 271570a_100102525489_100000687537 [0,1,0,0,0,1|2,0,0]=4 2660 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [0,1,0,0,0,1|2,0,0]=4 2661 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [0,1,0,0,0,1|2,0,0]=4 2662 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [0,1,0,0,0,1|1,0,1]=4 2663 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,1,0,0,0,1|1,0,0]=3 2664 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,1,0,0,0,1|1,1,0]=4 2665 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,1,0,0,0,1|1,1,0]=4 2666 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,1,0,0,0,1|2,0,0]=4 2667 B12R1.438 CC(=O)Nc1cccc(c1)C#N 11a_100000210922_100015343762 [0,1,0,0,0,1|2,0,0]=4 2668 B12R1.438 CC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100015343762 [0,1,0,0,0,1|2,0,0]=4 2669 B12R1.438 CC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000070787 [0,1,0,0,0,1|2,0,0]=4 2670 B12R1.438 CC(=O)Nc1cccc(c1)C#N 527a_100000210922_100103153847 [0,1,0,0,0,1|2,0,0]=4 2671 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 2672 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 2673 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,1,0,0,0,1|2,0,0]=4 2674 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,1,0,0,0,1|2,0,0]=4 2675 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,1,0,0,0,1|1,0,0]=3 2676 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,1,0,0,0,1|2,0,0]=4 2677 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,1,0,0,0,1|1,0,0]=3 2678 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,1,0,0,0,1|1,0,0]=3 2679 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,1,0,0,0,1|1,1,0]=4 2680 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,1,0,0,0,1|1,0,0]=3 2681 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,1,0,0,0,1|1,1,0]=4 2682 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 2683 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 2684 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,1,0,0,0,1|2,0,0]=4 2685 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,1,0,0,0,1|2,0,0]=4 2686 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [0,1,0,0,0,1|2,0,0]=4 2687 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [0,1,0,0,0,1|2,0,0]=4 2688 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,1,0,0,0,1|2,0,0]=4 2689 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [0,1,0,0,0,1|2,0,0]=4 2690 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,1,0,0,0,1|2,0,0]=4 2691 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,1,0,0,0,1|2,0,0]=4 2692 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,1,0,0,0,1|2,0,0]=4 2693 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [0,1,0,0,0,1|2,0,0]=4 2694 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,1,0,0,0,1|1,0,0]=3 2695 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,1,0,0,0,1|1,0,0]=3 2696 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,1,0,0,0,1|1,0,0]=3 2697 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,1,0,0,0,1|1,0,0]=3 2698 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,1,0,0,0,1|1,0,0]=3 2699 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,1,0,0,0,1|1,0,0]=3 2700 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,1,0,0,0,1|1,0,0]=3 2701 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,1,0,0,0,1|1,0,0]=3 2702 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,1,0,0,0,1|1,0,0]=3 2703 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,1,0,0,0,1|1,0,0]=3 2704 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,1,0,0,0,1|1,0,0]=3 2705 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,1,0,0,0,1|1,0,0]=3 2706 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,1,0,0,0,1|1,0,0]=3 2707 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [0,1,0,0,0,1|1,1,0]=4 2708 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,1,0,0,0,1|1,0,0]=3 2709 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,1,0,0,0,1|2,0,0]=4 2710 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,1,0,0,0,1|2,0,0]=4 2711 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,1,0,0,0,1|1,1,0]=4 2712 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,1,0,0,0,1|1,1,0]=4 2713 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,1,0,0,0,1|1,1,0]=4 2714 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [0,1,0,0,0,1|1,1,0]=4 2715 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [0,1,0,0,0,1|1,1,0]=4 2716 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,1,0,0,0,1|1,1,0]=4 2717 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,1,0,0,0,1|1,1,0]=4 2718 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,1,0,0,0,1|1,1,0]=4 2719 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,1,0,0,0,1|1,1,0]=4 2720 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,1,0,0,0,1|1,1,0]=4 2721 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,1,0,0,0,1|1,1,0]=4 2722 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [0,1,0,0,0,1|1,1,0]=4 2723 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,1,0,0,0,1|1,1,0]=4 2724 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [0,1,0,0,0,1|2,0,0]=4 2725 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [0,1,0,0,0,1|2,0,0]=4 2726 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [0,1,0,0,0,1|2,0,0]=4 2727 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [0,1,0,0,0,1|2,0,0]=4 2728 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,1,0,0,0,1|1,0,0]=3 2729 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,1,0,0,0,1|1,0,0]=3 2730 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,1,0,0,0,1|1,0,0]=3 2731 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,1,0,0,0,1|1,0,0]=3 2732 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [0,1,0,0,0,1|1,1,0]=4 2733 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [0,1,0,0,0,1|1,1,0]=4 2734 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [0,1,0,0,0,1|1,1,0]=4 2735 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [0,1,0,0,0,1|1,1,0]=4 2736 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)F 271570a_203496583355_200000048130 [0,2,0,0,0,0|1,0,1]=4 2737 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000743533 [0,2,0,0,0,0|1,0,1]=4 2738 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)C 271570a_203496583355_100010175561 [0,2,0,0,0,0|1,0,1]=4 2739 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)N 271570a_203496583355_100011847911 [0,2,0,0,0,0|1,0,1]=4 2740 B12R1.23 NS(=O)(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000164542 [0,2,0,0,0,0|1,0,1]=4 2741 B12R1.23 Nc1ccc(cc1O)S(=O)(=O)N 271570a_203496583355_100000736770 [0,2,0,0,0,0|1,0,1]=4 2742 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,2,0,0,0,0|2,0,0]=4 2745 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,2,0,0,0,0|2,0,0]=4 2746 B12R1.48 C=C(C)c1ccc(c(c1)O)C#N 271570a_100000694244_100011934713 [0,2,0,0,0,0|2,0,0]=4 2747 B12R1.48 C=C(C)c1ccc(c(c1)O)C=O 271570a_100000694244_100011277552 [0,2,0,0,0,0|2,0,0]=4 2748 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,2,0,0,0,0|1,0,0]=3 2758 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,2,0,0,0,0|2,0,0]=4 2771 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,2,0,0,0,0|2,0,0]=4 2774 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,2,0,0,0,0|2,0,0]=4 2777 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,2,0,0,0,0|2,0,0]=4 2779 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,2,0,0,0,0|1,0,0]=3 2783 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,2,0,0,0,0|1,0,0]=3 2784 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,2,0,0,0,0|2,0,0]=4 2794 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,2,0,0,0,0|2,0,0]=4 2802 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,2,0,0,0,0|1,0,0]=3 2812 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,2,0,0,0,0|1,0,0]=3 2813 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,2,0,0,0,0|1,0,0]=3 2814 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,2,0,0,0,0|1,0,1]=4 2815 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,2,0,0,0,0|1,0,0]=3 2829 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,2,0,0,0,0|1,0,0]=3 2830 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.48 N#Cc1ccc(cc1O)B(O)O 271570a_203496583355_200000103754 [0,2,0,0,0,0|1,0,1]=4 2836 B12R1.48 O=Cc1ccc(cc1O)B(O)O 271570a_203496583355_100000062204 [0,2,0,0,0,0|1,0,1]=4 2837 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,2,0,0,0,0|1,0,0]=3 2848 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,2,0,0,0,0|1,0,0]=3 2849 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.56 C=C(C)c1ccc(c(c1)CO)Br 271570a_100000694244_100012359683 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.56 C=C(C)c1ccc(c(c1)CO)C 271570a_100000694244_100000700630 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.56 C=C(C)c1ccc(c(c1)CO)Cl 271570a_100000694244_100010128486 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.56 C=C(C)c1ccc(c(c1)CO)F 271570a_100000694244_100000049604 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.56 C=C(C)c1ccc(c(c1)CO)N 271570a_100000694244_100012353972 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,2,0,0,0,0|2,0,0]=4 2867 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,2,0,0,0,0|1,0,0]=3 2876 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,2,0,0,0,0|1,0,0]=3 2877 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,2,0,0,0,0|1,0,0]=3 2878 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,2,0,0,0,0|1,0,0]=3 2879 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,2,0,0,0,0|1,0,0]=3 2880 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,2,0,0,0,0|1,0,0]=3 2881 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,2,0,0,0,0|1,1,0]=4 2882 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,2,0,0,0,0|1,1,0]=4 2883 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,2,0,0,0,0|1,1,0]=4 2884 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,2,0,0,0,0|1,1,0]=4 2885 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,2,0,0,0,0|1,1,0]=4 2886 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,2,0,0,0,0|1,1,0]=4 2887 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,2,0,0,0,0|1,1,0]=4 2888 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,2,0,0,0,0|1,1,0]=4 2889 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,2,0,0,0,0|1,0,0]=3 2900 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,2,0,0,0,0|1,0,0]=3 2901 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,2,0,0,0,0|1,0,0]=3 2902 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,2,0,0,0,0|1,0,0]=3 2903 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2904 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2905 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,2,0,0,0,0|1,0,0]=3 2906 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,2,0,0,0,0|1,0,0]=3 2907 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,2,0,0,0,0|1,0,0]=3 2908 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,2,0,0,0,0|1,0,0]=3 2909 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,2,0,0,0,0|1,0,1]=4 2910 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,2,0,0,0,0|1,0,1]=4 2911 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,2,0,0,0,0|1,0,0]=3 2912 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,2,0,0,0,0|1,0,0]=3 2913 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,2,0,0,0,0|1,0,1]=4 2914 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,2,0,0,0,0|1,0,1]=4 2915 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,2,0,0,0,0|1,0,0]=3 2916 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,2,0,0,0,0|1,0,0]=3 2917 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,2,0,0,0,0|1,0,0]=3 2918 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,2,0,0,0,0|1,0,0]=3 2919 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,2,0,0,0,0|1,0,1]=4 2920 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,2,0,0,0,0|1,0,1]=4 2921 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,2,0,0,0,0|1,0,0]=3 2922 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,2,0,0,0,0|1,0,0]=3 2923 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,2,0,0,0,0|1,0,1]=4 2924 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,2,0,0,0,0|1,0,1]=4 2925 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,2,0,0,0,0|1,0,0]=3 2926 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,2,0,0,0,0|1,0,0]=3 2927 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,2,0,0,0,0|1,0,1]=4 2928 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,2,0,0,0,0|1,0,1]=4 2929 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,2,0,0,0,0|1,0,1]=4 2930 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,2,0,0,0,0|1,0,0]=3 2931 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,2,0,0,0,0|1,0,0]=3 2932 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,2,0,0,0,0|1,0,0]=3 2933 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,2,0,0,0,0|1,0,0]=3 2934 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,2,0,0,0,0|1,1,0]=4 2935 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,2,0,0,0,0|1,1,0]=4 2936 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,2,0,0,0,0|1,1,0]=4 2937 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,2,0,0,0,0|1,1,0]=4 2938 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,2,0,0,0,0|1,1,0]=4 2939 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,2,0,0,0,0|1,1,0]=4 2940 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,2,0,0,0,0|1,1,0]=4 2941 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,2,0,0,0,0|1,1,0]=4 2942 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,2,0,0,0,0|1,1,0]=4 2943 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,2,0,0,0,0|1,1,0]=4 2944 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,2,0,0,0,0|1,1,0]=4 2945 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,2,0,0,0,0|1,1,0]=4 2946 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,2,0,0,0,0|2,0,0]=4 2947 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,2,0,0,0,0|2,0,0]=4 2948 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,2,0,0,0,0|1,0,1]=4 2949 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,2,0,0,0,0|1,0,1]=4 2950 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,2,0,0,0,0|1,1,0]=4 2951 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,2,0,0,0,0|1,1,0]=4 2952 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [0,2,0,0,0,0|2,0,0]=4 2953 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [0,2,0,0,0,0|2,0,0]=4 2954 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [0,2,0,0,0,0|2,0,0]=4 2955 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,2,0,0,0,0|2,0,0]=4 2956 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,2,0,0,0,0|1,0,0]=3 2957 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,2,0,0,0,0|1,0,0]=3 2958 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,2,0,0,0,0|1,0,0]=3 2961 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,2,0,0,0,0|1,0,0]=3 2962 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2963 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2964 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,2,0,0,0,0|1,0,1]=4 2965 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,2,0,0,0,0|1,0,1]=4 2966 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,2,0,0,0,0|1,0,1]=4 2967 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,2,0,0,0,0|1,0,1]=4 2968 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,2,0,0,0,0|1,0,1]=4 2969 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,2,0,0,0,0|1,0,1]=4 2970 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,2,0,0,0,0|1,0,0]=3 2971 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,2,0,0,0,0|1,0,0]=3 2972 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,2,0,0,0,0|1,0,1]=4 2973 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,2,0,0,0,0|1,0,1]=4 2974 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,2,0,0,0,0|1,1,0]=4 2975 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,2,0,0,0,0|1,1,0]=4 2976 B12R1.232 C=C(C)c1cc(c(cc1Br)Cl)O 271570a_100000694244_100021297947 [0,2,0,0,0,0|2,0,0]=4 2977 B12R1.232 C=C(C)c1cc(c(cc1C)F)O 271570a_100000694244_100010068922 [0,2,0,0,0,0|2,0,0]=4 2978 B12R1.232 C=C(C)c1cc(c(cc1C)N)O 271570a_100000694244_200010107346 [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.232 C=C(C)c1cc(c(cc1F)C)O 271570a_100000694244_100014242602 [0,2,0,0,0,0|2,0,0]=4 2980 B12R1.232 C=C(C)c1cc(c(cc1F)Cl)O 271570a_100000694244_100010735246 [0,2,0,0,0,0|2,0,0]=4 2981 B12R1.232 C=C(C)c1cc(c(cc1F)F)O 271570a_100000694244_100012457948 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.232 C=C(C)c1cc(c(cc1F)N)O 271570a_100000694244_100013038943 [0,2,0,0,0,0|2,0,0]=4 2983 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.232 CC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200000210301 [0,2,0,0,0,0|2,0,0]=4 2986 B12R1.232 CC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200000210301 [0,2,0,0,0,0|2,0,0]=4 2987 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,2,0,0,0,0|2,0,0]=4 2989 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,2,0,0,0,0|2,0,0]=4 2990 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,2,0,0,0,0|2,0,0]=4 2991 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200000210301 [0,2,0,0,0,0|2,0,0]=4 2998 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200000210301 [0,2,0,0,0,0|2,0,0]=4 2999 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,2,0,0,0,0|2,0,0]=4 3000 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,2,0,0,0,0|2,0,0]=4 3001 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,2,0,0,0,0|2,0,0]=4 3002 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200000210301 [0,2,0,0,0,0|2,0,0]=4 3003 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,2,0,0,0,0|2,0,0]=4 3004 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200000210301 [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200000210301 [0,2,0,0,0,0|2,0,0]=4 3006 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200000210301 [0,2,0,0,0,0|2,0,0]=4 3007 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200000210301 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200000210301 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,2,0,0,0,0|2,0,0]=4 3012 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,2,0,0,0,0|2,0,0]=4 3013 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,2,0,0,0,0|1,0,0]=3 3014 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200000210301 [0,2,0,0,0,0|2,0,0]=4 3015 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,2,0,0,0,0|2,0,0]=4 3016 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3017 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200000210301 [0,2,0,0,0,0|2,0,0]=4 3018 B12R1.232 CC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200000210301 [0,2,0,0,0,0|2,0,0]=4 3019 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,2,0,0,0,0|2,0,0]=4 3020 B12R1.232 CC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200000210301 [0,2,0,0,0,0|2,0,0]=4 3021 B12R1.232 CC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200000210301 [0,2,0,0,0,0|2,0,0]=4 3022 B12R1.232 CC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200000210301 [0,2,0,0,0,0|2,0,0]=4 3023 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,2,0,0,0,0|1,0,0]=3 3024 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,2,0,0,0,0|2,0,0]=4 3025 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,2,0,0,0,0|2,0,0]=4 3026 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,2,0,0,0,0|2,0,0]=4 3027 B12R1.232 CC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200000210301 [0,2,0,0,0,0|2,0,0]=4 3028 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,2,0,0,0,0|2,0,0]=4 3029 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,2,0,0,0,0|2,0,0]=4 3030 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,2,0,0,0,0|2,0,0]=4 3031 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,2,0,0,0,0|1,0,0]=3 3032 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,2,0,0,0,0|2,0,0]=4 3033 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,2,0,0,0,0|2,0,0]=4 3034 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,2,0,0,0,0|2,0,0]=4 3036 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,2,0,0,0,0|2,0,0]=4 3037 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,2,0,0,0,0|2,0,0]=4 3039 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,2,0,0,0,0|2,0,0]=4 3041 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,2,0,0,0,0|2,0,0]=4 3042 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,2,0,0,0,0|2,0,0]=4 3045 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,2,0,0,0,0|2,0,0]=4 3046 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,2,0,0,0,0|2,0,0]=4 3049 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,2,0,0,0,0|2,0,0]=4 3050 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,2,0,0,0,0|2,0,0]=4 3051 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,2,0,0,0,0|2,0,0]=4 3052 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,2,0,0,0,0|2,0,0]=4 3054 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,2,0,0,0,0|2,0,0]=4 3061 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.232 Cc1cc(c(cc1O)B(O)O)F 271570a_203496583355_100009814728 [0,2,0,0,0,0|1,0,1]=4 3065 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,2,0,0,0,0|1,0,0]=3 3066 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,2,0,0,0,0|1,0,0]=3 3067 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,2,0,0,0,0|2,0,0]=4 3068 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,2,0,0,0,0|1,0,0]=3 3069 B12R1.232 OB(O)c1cc(c(cc1F)F)O 271570a_203496583355_100010062379 [0,2,0,0,0,0|1,0,1]=4 3070 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200025704644 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200025704644 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200025704644 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200025704644 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200025704644 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200025704644 [0,2,0,0,0,0|2,0,0]=4 3077 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200025704644 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200025704644 [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200025704644 [0,2,0,0,0,0|2,0,0]=4 3080 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200025704644 [0,2,0,0,0,0|2,0,0]=4 3081 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200025704644 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200025704644 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200025704644 [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200025704644 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200025704644 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200025704644 [0,2,0,0,0,0|2,0,0]=4 3089 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.232 [13CH3]C(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200025704644 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,2,0,0,0,0|2,0,0]=4 3099 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,2,0,0,0,0|2,0,0]=4 3100 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,2,0,0,0,0|2,0,0]=4 3102 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|2,0,0]=4 3104 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|2,0,0]=4 3106 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|2,0,0]=4 3122 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,2,0,0,0,0|2,0,0]=4 3123 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,2,0,0,0,0|2,0,0]=4 3127 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,2,0,0,0,0|1,0,0]=3 3129 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,2,0,0,0,0|1,0,0]=3 3130 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,2,0,0,0,0|1,0,0]=3 3131 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,2,0,0,0,0|1,0,0]=3 3132 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,2,0,0,0,0|1,0,0]=3 3133 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,2,0,0,0,0|1,0,0]=3 3134 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|1,0,0]=3 3135 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,2,0,0,0,0|2,0,0]=4 3136 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 3137 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 3138 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 3139 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,2,0,0,0,0|2,0,0]=4 3140 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 3141 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 3145 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,2,0,0,0,0|2,0,0]=4 3152 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 3168 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 3184 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 3204 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 3211 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,2,0,0,0,0|2,0,0]=4 3213 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,2,0,0,0,0|2,0,0]=4 3227 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 3230 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 3245 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,2,0,0,0,0|1,0,0]=3 3246 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,2,0,0,0,0|1,0,0]=3 3247 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 3248 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,2,0,0,0,0|1,0,0]=3 3249 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 3250 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,2,0,0,0,0|1,0,0]=3 3251 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,2,0,0,0,0|1,0,0]=3 3252 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 3253 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 3254 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,2,0,0,0,0|1,0,0]=3 3255 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [0,2,0,0,0,0|1,0,0]=3 3256 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [0,2,0,0,0,0|2,0,0]=4 3257 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [0,2,0,0,0,0|2,0,0]=4 3258 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|1,0,0]=3 3259 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|1,0,0]=3 3260 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|1,0,0]=3 3261 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|1,0,0]=3 3262 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|1,0,0]=3 3263 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|0,0,0]=2 3264 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|0,0,0]=2 3265 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|0,0,0]=2 3266 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|0,0,0]=2 3267 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|0,0,0]=2 3268 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|0,0,0]=2 3269 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|0,0,0]=2 3270 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [0,2,0,0,0,0|2,0,0]=4 3271 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [0,2,0,0,0,0|2,0,0]=4 3272 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [0,2,0,0,0,0|1,0,0]=3 3274 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [0,2,0,0,0,0|1,0,0]=3 3275 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,2,0,0,0,0|1,0,0]=3 3276 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,2,0,0,0,0|1,0,0]=3 3277 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,2,0,0,0,0|1,0,0]=3 3282 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,2,0,0,0,0|1,0,0]=3 3283 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,2,0,0,0,0|1,0,0]=3 3284 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,2,0,0,0,0|1,0,0]=3 3285 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,2,0,0,0,0|1,0,0]=3 3286 B12R1.367 COC(=O)c1cnc(c(n1)O)C 271570a_203496583355_200010778766 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.367 COC(=O)c1cnc(c(n1)O)F 271570a_203496583355_100010896985 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,2,0,0,0,0|1,0,0]=3 3289 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,2,0,0,0,0|1,0,0]=3 3301 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,2,0,0,0,0|1,0,0]=3 3302 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,2,0,0,0,0|1,0,0]=3 3304 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015361967 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015361967 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.367 O=C(CF)c1ccc(c(c1)Br)F 1458a_100000760357_100015361967 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.367 O=C(CF)c1ccc(c(c1)Br)I 1458a_100000739115_100015361967 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015361967 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015361967 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015361967 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.367 O=C(CF)c1ccc(c(c1)F)Br 1458a_100000743946_100015361967 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.367 O=C(CF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015361967 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.367 O=C(CF)c1ccc(c(c1)F)F 1458a_100000209822_100015361967 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.367 O=C(CF)c1ccc(c(c1)F)I 1458a_100000062624_100015361967 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.367 O=C(CF)c1ccc(c(c1)I)Br 1458a_100012343876_100015361967 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.367 O=C(CF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015361967 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.367 O=C(CF)c1ccc(c(c1)I)F 1458a_100000688015_100015361967 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.367 O=C(CF)c1ccc(c(c1)I)I 1458a_100000725830_100015361967 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,2,0,0,0,0|1,0,0]=3 3325 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,2,0,0,0,0|1,0,0]=3 3326 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,2,0,0,0,0|1,0,0]=3 3327 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,2,0,0,0,0|1,0,0]=3 3328 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,2,0,0,0,0|1,0,0]=3 3329 B12R1.893 C=C(C)c1ccc(c(c1F)O)Br 271570a_100000694244_200010782288 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.893 C=C(C)c1ccc(c(c1F)O)F 271570a_100000694244_100010167067 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.893 C=C(C)c1ccc(c(c1N)O)Br 271570a_100000694244_100020748643 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.893 CC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200000210301 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,2,0,0,0,0|1,0,0]=3 3334 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.893 CC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200000210301 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200000210301 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200000210301 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200000210301 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200000210301 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,2,0,0,0,0|1,0,0]=3 3343 B12R1.893 CC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200000210301 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.893 CC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200000210301 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3348 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200000210301 [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200000210301 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.893 CC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200000210301 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.893 CC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200000210301 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.893 CC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200000210301 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.893 CC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200000210301 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,2,0,0,0,0|1,0,0]=3 3360 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,2,0,0,0,0|1,0,0]=3 3361 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,2,0,0,0,0|1,0,0]=3 3367 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200025704644 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,2,0,0,0,0|1,0,0]=3 3380 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200025704644 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200025704644 [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200025704644 [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200025704644 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200025704644 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,2,0,0,0,0|1,0,0]=3 3386 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200025704644 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200025704644 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200025704644 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200025704644 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200025704644 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200025704644 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200025704644 [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200025704644 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,2,0,0,0,0|1,0,0]=3 3396 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.1005 C=C(C)c1cc(c(c(c1)F)F)O 271570a_100000694244_100000709865 [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.1005 C=C(C)c1cc(c(c(c1)F)N)O 271570a_100000694244_100015475841 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.1005 C=C(C)c1cc(c(c(c1)O)N)C 271570a_100000694244_100010371313 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)Br 1458a_100000187602_200000210301 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)F 1458a_200012347618_200000210301 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200000210301 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200000210301 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200000210301 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [0,2,0,0,0,0|1,0,0]=3 3409 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200000210301 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)C)Cl 1458a_100012356007_200000210301 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200000210301 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200000210301 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200000210301 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [0,2,0,0,0,0|1,0,0]=3 3423 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200000210301 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.1005 CC(=O)c1cc(c(c(c1)F)C)F 1458a_100000055762_200000210301 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200000210301 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_200000210301 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200000210301 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [0,2,0,0,0,0|1,0,0]=3 3429 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.1005 CC(=O)c1cc(c(c(c1)I)C)F 1458a_100012344050_200000210301 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.1005 CC(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200000210301 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [0,2,0,0,0,0|1,0,0]=3 3435 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [0,2,0,0,0,0|1,0,0]=3 3437 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100000187602_200025704644 [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])F 1458a_200012347618_200025704644 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.1005 Cc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100012356007_200025704644 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.1005 Cc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100000055762_200025704644 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.1005 Cc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012344050_200025704644 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [0,2,0,0,0,0|1,0,0]=3 3443 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.1005 Cc1cc(cc(c1C)O)B(O)O 271570a_203496583355_202126042698 [0,2,0,0,0,0|1,0,1]=4 3446 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000061453_200025704644 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [0,2,0,0,0,0|2,0,0]=4 3450 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [0,2,0,0,0,0|1,0,0]=3 3453 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200025704644 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200025704644 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200025704644 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [0,2,0,0,0,0|1,0,0]=3 3458 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200025704644 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200025704644 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200025704644 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200025704644 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200025704644 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [0,2,0,0,0,0|1,0,0]=3 3465 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200025704644 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200025704644 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200025704644 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [0,2,0,0,0,0|1,0,0]=3 3469 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200025704644 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [0,2,0,0,0,0|1,0,0]=3 3473 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [0,2,0,0,0,0|1,0,0]=3 3474 B12R1.10 CC(C)(CO)c1cccc(c1)O 271570a_203496583355_200010233077 [0,2,0,0,0,0|1,0,1]=4 3475 B12R1.10 CCS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815775 [0,2,0,0,0,0|1,0,1]=4 3476 B12R1.10 CNS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000165148 [0,2,0,0,0,0|1,0,1]=4 3477 B12R1.13 CNC(CO)c1cccc(c1)O 2230a_100025717460_200000210301 [0,2,0,0,0,0|1,0,1]=4 3478 B12R1.13 CNC(CO)c1cccc(c1)O 34a_100025717460_200000210301 [0,2,0,0,0,0|1,0,1]=4 3479 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [0,2,0,0,0,0|0,0,2]=4 3480 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 2230a_100025717460_200025704644 [0,2,0,0,0,0|1,0,1]=4 3481 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 34a_100025717460_200025704644 [0,2,0,0,0,0|1,0,1]=4 3482 B12R1.17 C#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000184674 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.17 C#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000184674 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.17 C#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000184674 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.17 C#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000184674 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [0,2,0,0,0,0|1,0,0]=3 3488 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|1,0,0]=3 3494 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|1,0,0]=3 3500 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,2,0,0,0,0|1,0,0]=3 3518 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,2,0,0,0,0|1,0,0]=3 3519 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.17 CCOC(=O)c1cc(ncn1)O 271570a_203496583355_100009878719 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,2,0,0,0,0|0,0,0]=2 3524 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,2,0,0,0,0|1,0,0]=3 3525 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,2,0,0,0,0|1,0,0]=3 3526 B12R1.17 CCOC(=O)c1ccnc(n1)O 271570a_203496583355_100000087789 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,2,0,0,0,0|1,0,0]=3 3528 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.17 CCOC(=O)c1cnnc(c1)O 271570a_203496583355_100009853686 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.17 CN(CCO)c1cccc(c1)O 2230a_100000756613_100000211926 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.17 CN(CCO)c1cccc(c1)O 269982a_100000756613_100000211926 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.17 CN(CCO)c1cccc(c1)O 34a_100000756613_100000211926 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|1,0,0]=3 3548 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|1,0,0]=3 3549 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,2,0,0,0,0|1,0,1]=4 3550 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,2,0,0,0,0|1,0,1]=4 3551 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,2,0,0,0,0|1,0,1]=4 3552 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,2,0,0,0,0|2,0,0]=4 3555 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,2,0,0,0,0|1,0,0]=3 3558 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,2,0,0,0,0|1,0,0]=3 3559 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,2,0,0,0,0|1,0,0]=3 3560 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,2,0,0,0,0|1,0,0]=3 3561 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,2,0,0,0,0|1,0,0]=3 3562 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 3563 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,2,0,0,0,0|1,0,0]=3 3564 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 3565 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,2,0,0,0,0|0,0,0]=2 3566 B12R1.17 COCN(C)c1cccc(c1)O 2230a_100000756613_100000766300 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.17 COCN(C)c1cccc(c1)O 269982a_100000756613_100000766300 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,2,0,0,0,0|1,1,0]=4 3569 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,2,0,0,0,0|1,1,0]=4 3570 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,2,0,0,0,0|1,1,0]=4 3571 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,2,0,0,0,0|1,1,0]=4 3572 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,2,0,0,0,0|1,1,0]=4 3573 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,2,0,0,0,0|1,1,0]=4 3574 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,2,0,0,0,0|1,1,0]=4 3575 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,2,0,0,0,0|1,1,0]=4 3576 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,2,0,0,0,0|0,1,0]=3 3577 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,2,0,0,0,0|0,1,0]=3 3578 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|1,0,0]=3 3581 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,2,0,0,0,0|1,1,0]=4 3582 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,2,0,0,0,0|1,1,0]=4 3583 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,2,0,0,0,0|1,0,0]=3 3588 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,2,0,0,0,0|1,0,0]=3 3589 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,2,0,0,0,0|1,0,1]=4 3590 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|1,0,0]=3 3595 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|1,0,0]=3 3596 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|1,0,0]=3 3597 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|1,0,0]=3 3598 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|1,0,0]=3 3599 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|0,0,0]=2 3600 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,2,0,0,0,0|1,0,1]=4 3601 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,2,0,0,0,0|1,0,1]=4 3602 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,2,0,0,0,0|1,0,0]=3 3603 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 3604 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 3605 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,2,0,0,0,0|1,1,0]=4 3606 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,2,0,0,0,0|1,1,0]=4 3607 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,2,0,0,0,0|1,1,0]=4 3608 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,2,0,0,0,0|1,1,0]=4 3609 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,2,0,0,0,0|1,1,0]=4 3610 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,2,0,0,0,0|1,1,0]=4 3611 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,2,0,0,0,0|0,1,0]=3 3612 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,2,0,0,0,0|0,1,0]=3 3613 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,2,0,0,0,0|1,0,0]=3 3619 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|1,0,0]=3 3625 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,2,0,0,0,0|1,0,0]=3 3631 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,2,0,0,0,0|1,0,0]=3 3637 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,2,0,0,0,0|1,0,0]=3 3642 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|1,0,0]=3 3647 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 3668 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,2,0,0,0,0|1,0,0]=3 3669 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 3690 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|1,0,0]=3 3691 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,2,0,0,0,0|2,0,0]=4 3708 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3710 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,2,0,0,0,0|2,0,0]=4 3714 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 3734 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,2,0,0,0,0|1,0,0]=3 3735 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,2,0,0,0,0|1,0,0]=3 3752 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|2,0,0]=4 3753 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|1,0,0]=3 3761 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,2,0,0,0,0|0,0,0]=2 3763 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|0,0,0]=2 3764 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,2,0,0,0,0|0,0,0]=2 3765 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,2,0,0,0,0|0,0,0]=2 3766 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|1,0,0]=3 3767 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|1,0,0]=3 3768 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|1,0,0]=3 3769 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|1,0,0]=3 3770 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|0,0,0]=2 3771 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|0,0,0]=2 3772 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,2,0,0,0,0|1,0,0]=3 3773 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [0,2,0,0,0,0|1,0,0]=3 3774 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [0,2,0,0,0,0|1,0,0]=3 3775 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,2,0,0,0,0|1,0,0]=3 3776 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,2,0,0,0,0|1,0,0]=3 3777 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,2,0,0,0,0|1,0,0]=3 3778 B12R1.24 COC(C)c1cccc(c1F)O 271570a_203496583355_200010365929 [0,2,0,0,0,0|1,0,1]=4 3779 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,2,0,0,0,0|1,0,0]=3 3784 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,2,0,0,0,0|1,0,0]=3 3785 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,2,0,0,0,0|2,0,0]=4 3793 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,2,0,0,0,0|2,0,0]=4 3794 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,2,0,0,0,0|1,0,0]=3 3796 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,2,0,0,0,0|1,0,0]=3 3801 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,2,0,0,0,0|1,0,0]=3 3806 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,2,0,0,0,0|1,0,0]=3 3810 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,2,0,0,0,0|1,0,0]=3 3814 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,2,0,0,0,0|1,0,0]=3 3820 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|1,0,0]=3 3826 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,2,0,0,0,0|1,0,0]=3 3832 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,2,0,0,0,0|1,0,0]=3 3838 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,2,0,0,0,0|1,0,0]=3 3844 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|1,0,0]=3 3850 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|1,0,0]=3 3851 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 3872 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,2,0,0,0,0|1,0,0]=3 3873 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 3881 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|2,0,0]=4 3882 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 3884 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 3885 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|1,0,0]=3 3894 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,2,0,0,0,0|2,0,0]=4 3907 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 3908 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 3910 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 3914 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 3915 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,2,0,0,0,0|1,0,0]=3 3916 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,2,0,0,0,0|2,0,0]=4 3917 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 3918 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 3923 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 3924 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,2,0,0,0,0|2,0,0]=4 3925 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 3926 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 3927 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,2,0,0,0,0|1,0,0]=3 3938 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,2,0,0,0,0|1,0,0]=3 3939 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,2,0,0,0,0|2,0,0]=4 3940 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 3954 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,2,0,0,0,0|2,0,0]=4 3955 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 3956 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 3957 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 3958 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 3959 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,2,0,0,0,0|1,0,0]=3 3962 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|2,0,0]=4 3965 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|2,0,0]=4 3966 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|2,0,0]=4 3971 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [0,2,0,0,0,0|1,0,0]=3 3978 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,2,0,0,0,0|0,0,0]=2 3979 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|0,0,0]=2 3980 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,2,0,0,0,0|0,0,0]=2 3981 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,2,0,0,0,0|0,0,0]=2 3982 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,2,0,0,0,0|0,0,0]=2 3983 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|1,0,0]=3 3984 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|1,0,0]=3 3985 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|1,0,0]=3 3986 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|1,0,0]=3 3987 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|1,0,0]=3 3988 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|0,0,0]=2 3989 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|0,0,0]=2 3990 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,2,0,0,0,0|1,0,0]=3 3993 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,2,0,0,0,0|2,0,0]=4 3996 B12R1.354 COC(=O)c1cc(n[nH]c1=O)O 271570a_203496583355_100009885168 [0,2,0,0,0,0|2,0,0]=4 3997 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,2,0,0,0,0|1,0,0]=3 3998 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [0,2,0,0,0,0|1,0,0]=3 3999 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [0,2,0,0,0,0|1,0,0]=3 4000 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,2,0,0,0,0|1,0,0]=3 4002 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,2,0,0,0,0|1,0,0]=3 4003 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,2,0,0,0,0|1,0,0]=3 4004 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,2,0,0,0,0|1,0,0]=3 4005 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,2,0,0,0,0|1,0,0]=3 4006 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,2,0,0,0,0|1,0,0]=3 4008 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,2,0,0,0,0|1,0,0]=3 4009 B12R1.354 COC(=O)c1nc(cnc1C)O 271570a_203496583355_100010884432 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.354 COC(=O)c1nc(cnc1N)O 271570a_203496583355_100000076761 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,2,0,0,0,0|2,0,0]=4 4016 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|2,0,0]=4 4017 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,2,0,0,0,0|2,0,0]=4 4018 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,2,0,0,0,0|1,0,0]=3 4023 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,2,0,0,0,0|1,0,0]=3 4026 B12R1.354 N[C@H](CO)c1cc(ccc1F)O 271570a_203496583355_100010142275 [0,2,0,0,0,0|1,0,1]=4 4027 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,2,0,0,0,0|1,0,0]=3 4032 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,2,0,0,0,0|1,0,0]=3 4037 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,2,0,0,0,0|1,0,0]=3 4042 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,2,0,0,0,0|1,0,0]=3 4047 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,2,0,0,0,0|1,0,0]=3 4052 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210202 [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210202 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.358 CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210202 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [0,2,0,0,0,0|1,0,0]=3 4057 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,2,0,0,0,0|2,0,0]=4 4058 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [0,2,0,0,0,0|2,0,0]=4 4060 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210202 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [0,2,0,0,0,0|1,0,0]=3 4062 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.358 CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210202 [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [0,2,0,0,0,0|1,0,0]=3 4065 B12R1.358 CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210202 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.358 CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210202 [0,2,0,0,0,0|2,0,0]=4 4068 B12R1.358 CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210202 [0,2,0,0,0,0|2,0,0]=4 4069 B12R1.358 CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210202 [0,2,0,0,0,0|2,0,0]=4 4070 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,2,0,0,0,0|1,0,0]=3 4071 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 11a_106832991635_100000687083 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 1626a_100102657272_100000687083 [0,2,0,0,0,0|2,0,0]=4 4073 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 240690a_100102657272_100000687083 [0,2,0,0,0,0|2,0,0]=4 4074 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 527a_100102657272_100000687083 [0,2,0,0,0,0|2,0,0]=4 4075 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,2,0,0,0,0|2,0,0]=4 4076 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 11a_106832991635_100000687899 [0,2,0,0,0,0|2,0,0]=4 4080 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 1626a_100102657272_100000687899 [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 240690a_100102657272_100000687899 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 527a_100102657272_100000687899 [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 11a_106832991635_100000739618 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 1626a_100102657272_100000739618 [0,2,0,0,0,0|2,0,0]=4 4085 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 240690a_100102657272_100000739618 [0,2,0,0,0,0|2,0,0]=4 4086 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 527a_100102657272_100000739618 [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,2,0,0,0,0|2,0,0]=4 4090 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 4091 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 4092 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 4093 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,2,0,0,0,0|2,0,0]=4 4094 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 4095 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 11a_106832991635_100000210701 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100102657272_100000210701 [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100102657272_100000210701 [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 527a_100102657272_100000210701 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 11a_106832991635_100000685768 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 1626a_100102657272_100000685768 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 240690a_100102657272_100000685768 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 527a_100102657272_100000685768 [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 4106 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [0,2,0,0,0,0|1,0,0]=3 4107 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 11a_106832991635_100000211655 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 1626a_100102657272_100000211655 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 240690a_100102657272_100000211655 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 527a_100102657272_100000211655 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [0,2,0,0,0,0|1,0,0]=3 4116 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 4117 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [0,2,0,0,0,0|1,0,0]=3 4118 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [0,2,0,0,0,0|1,0,0]=3 4119 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 11a_106832991635_100000689235 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 1626a_100102657272_100000689235 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 240690a_100102657272_100000689235 [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 527a_100102657272_100000689235 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 11a_106832991635_100012047205 [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 1626a_100102657272_100012047205 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 240690a_100102657272_100012047205 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 527a_100102657272_100012047205 [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 11a_106832991635_100012047268 [0,2,0,0,0,0|2,0,0]=4 4132 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 1626a_100102657272_100012047268 [0,2,0,0,0,0|2,0,0]=4 4133 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 240690a_100102657272_100012047268 [0,2,0,0,0,0|2,0,0]=4 4134 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 527a_100102657272_100012047268 [0,2,0,0,0,0|2,0,0]=4 4135 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 11a_106832991635_100011204819 [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 1626a_100102657272_100011204819 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 240690a_100102657272_100011204819 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 527a_100102657272_100011204819 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,2,0,0,0,0|1,0,0]=3 4141 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [0,2,0,0,0,0|1,0,0]=3 4143 B12R1.358 COC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100012339729 [0,2,0,0,0,0|0,0,0]=2 4144 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [0,2,0,0,0,0|0,0,0]=2 4145 B12R1.358 COC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100000698578 [0,2,0,0,0,0|0,0,0]=2 4146 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,2,0,0,0,0|0,0,0]=2 4147 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [0,2,0,0,0,0|0,0,0]=2 4148 B12R1.358 COC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100000696291 [0,2,0,0,0,0|0,0,0]=2 4149 B12R1.358 COC(=O)c1cc(cc(n1)O)C 271570a_203496583355_100009865194 [0,2,0,0,0,0|1,0,0]=3 4150 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.358 COC(=O)c1cc(nc(c1)O)N 271570a_203496583355_100000062536 [0,2,0,0,0,0|1,0,0]=3 4152 B12R1.358 COC(=O)c1cc(nc(n1)O)C 271570a_203496583355_100000724386 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Br 1458a_100000760426_100015361967 [0,2,0,0,0,0|2,0,0]=4 4154 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,2,0,0,0,0|2,0,0]=4 4155 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100000684526_100015361967 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.358 Cc1cc(cc(c1)C(=O)CF)F 1458a_100000763163_100015361967 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.358 Cc1cc(cc(c1)C(=O)CF)I 1458a_100000729426_100015361967 [0,2,0,0,0,0|2,0,0]=4 4158 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.358 NNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100011279999 [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.358 N[C@H](CO)c1cc(cc(c1)F)O 271570a_203496583355_100138412358 [0,2,0,0,0,0|1,0,1]=4 4161 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Br 1458a_100000687083_100015361967 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.358 O=C(CF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100015361967 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.358 O=C(CF)c1cc(cc(c1)Br)F 1458a_100000739618_100015361967 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.358 O=C(CF)c1cc(cc(c1)Br)O 1458a_100011934545_100015361967 [0,2,0,0,0,0|1,0,0]=3 4165 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100015361967 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)F 1458a_100000685768_100015361967 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)O 1458a_100011997059_100015361967 [0,2,0,0,0,0|1,0,0]=3 4168 B12R1.358 O=C(CF)c1cc(cc(c1)F)F 1458a_100000211655_100015361967 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.358 O=C(CF)c1cc(cc(c1)F)O 1458a_100012017291_100015361967 [0,2,0,0,0,0|1,0,0]=3 4170 B12R1.358 O=C(CF)c1cc(cc(c1)I)Br 1458a_100000689235_100015361967 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.358 O=C(CF)c1cc(cc(c1)I)Cl 1458a_100012047205_100015361967 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.358 O=C(CF)c1cc(cc(c1)I)F 1458a_100012047268_100015361967 [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.358 O=C(CF)c1cc(cc(c1)I)I 1458a_100011204819_100015361967 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.435 C#Cc1cccc(c1)C(=O)CF 1458a_100011997762_100015361967 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,2,0,0,0,0|1,0,1]=4 4183 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.435 C=Cc1cccc(c1)C(=O)CF 1458a_100011215009_100015361967 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.435 C=Cc1cccc(c1)C(=O)CN 271570a_100011290941_100020587001 [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,2,0,0,0,0|2,0,0]=4 4189 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,2,0,0,0,0|2,0,0]=4 4190 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.435 C=Cc1cccc(c1)C(=O)NN 271570a_100011290941_100000189783 [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,2,0,0,0,0|1,0,0]=3 4194 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [0,2,0,0,0,0|2,0,0]=4 4195 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,2,0,0,0,0|2,0,0]=4 4196 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.435 CC(=NN)c1cccc(c1)O[13CH3] 34a_100000689795_200025704644 [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 4203 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|1,1,0]=4 4207 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|1,1,0]=4 4208 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|1,1,0]=4 4209 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|1,1,0]=4 4210 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|1,1,0]=4 4211 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,2,0,0,0,0|2,0,0]=4 4212 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|2,0,0]=4 4213 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 4214 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 4215 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 4216 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [0,2,0,0,0,0|2,0,0]=4 4217 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [0,2,0,0,0,0|2,0,0]=4 4218 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [0,2,0,0,0,0|2,0,0]=4 4219 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [0,2,0,0,0,0|2,0,0]=4 4220 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,2,0,0,0,0|1,0,0]=3 4221 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|2,0,0]=4 4222 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|2,0,0]=4 4223 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|1,1,0]=4 4232 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|1,1,0]=4 4233 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|1,1,0]=4 4234 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|1,1,0]=4 4235 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|1,1,0]=4 4236 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|1,1,0]=4 4237 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|1,1,0]=4 4238 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|1,1,0]=4 4239 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,2,0,0,0,0|1,0,0]=3 4241 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,2,0,0,0,0|1,0,0]=3 4242 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,2,0,0,0,0|1,1,0]=4 4243 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,2,0,0,0,0|1,1,0]=4 4244 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,2,0,0,0,0|1,1,0]=4 4245 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,2,0,0,0,0|1,1,0]=4 4246 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 4247 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 4248 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 4249 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 4250 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|0,1,0]=3 4251 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|0,1,0]=3 4252 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|0,1,0]=3 4253 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|0,1,0]=3 4254 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,2,0,0,0,0|1,1,0]=4 4255 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,2,0,0,0,0|1,1,0]=4 4256 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,2,0,0,0,0|1,1,0]=4 4257 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,2,0,0,0,0|1,1,0]=4 4258 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,2,0,0,0,0|1,0,0]=3 4259 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,2,0,0,0,0|1,0,0]=3 4260 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,2,0,0,0,0|1,1,0]=4 4261 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,2,0,0,0,0|1,1,0]=4 4262 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,2,0,0,0,0|1,1,0]=4 4263 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,2,0,0,0,0|1,1,0]=4 4264 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 4265 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 4266 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 4267 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 4268 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,2,0,0,0,0|1,1,0]=4 4269 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,2,0,0,0,0|1,1,0]=4 4270 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,2,0,0,0,0|1,1,0]=4 4271 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,2,0,0,0,0|1,1,0]=4 4272 B12R1.435 COc1cccc(c1)C(=NN)C 34a_100000689795_200000210301 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [0,2,0,0,0,0|1,0,0]=3 4274 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,2,0,0,0,0|1,0,0]=3 4275 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,2,0,0,0,0|1,0,0]=3 4276 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,2,0,0,0,0|1,0,0]=3 4277 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [0,2,0,0,0,0|1,0,1]=4 4278 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [0,2,0,0,0,0|1,0,1]=4 4279 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [0,2,0,0,0,0|1,0,1]=4 4280 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [0,2,0,0,0,0|1,0,1]=4 4281 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [0,2,0,0,0,0|1,0,1]=4 4282 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [0,2,0,0,0,0|1,0,1]=4 4283 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,2,0,0,0,0|1,1,0]=4 4284 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|0,1,1]=4 4285 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|0,1,1]=4 4286 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,2,0,0,0,0|1,1,0]=4 4287 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,2,0,0,0,0|1,1,0]=4 4288 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,2,0,0,0,0|1,1,0]=4 4289 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [0,2,0,0,0,0|1,1,0]=4 4290 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [0,2,0,0,0,0|1,1,0]=4 4291 B12R1.435 N#Cc1cccc(c1)C(=O)CF 1458a_100000183950_100015361967 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,2,0,0,0,0|1,0,0]=3 4293 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [0,2,0,0,0,0|1,0,0]=3 4294 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,2,0,0,0,0|1,0,0]=3 4295 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,2,0,0,0,0|1,0,0]=3 4296 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [0,2,0,0,0,0|1,0,1]=4 4297 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [0,2,0,0,0,0|1,0,1]=4 4298 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,2,0,0,0,0|1,1,0]=4 4299 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|0,1,1]=4 4300 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|0,1,1]=4 4301 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,2,0,0,0,0|1,1,0]=4 4302 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,2,0,0,0,0|1,1,0]=4 4303 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [0,2,0,0,0,0|1,1,0]=4 4304 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [0,2,0,0,0,0|1,1,0]=4 4305 B12R1.11 C=C(C)c1cc(cc(c1)C#N)O 271570a_100000694244_100012180112 [0,2,0,0,0,0|2,0,0]=4 4306 B12R1.11 C=C(C)c1cc(cc(c1)C=O)O 271570a_100000694244_100010176088 [0,2,0,0,0,0|2,0,0]=4 4307 B12R1.11 C=C(C)c1cc(cc(c1)CO)Br 271570a_100000694244_100009814756 [0,2,0,0,0,0|2,0,0]=4 4308 B12R1.11 C=C(C)c1cc(cc(c1)CO)C 271570a_100000694244_100000720511 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.11 C=C(C)c1cc(cc(c1)CO)F 271570a_100000694244_100000766897 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.11 C=C(C)c1cc(cc(c1)OC)Br 271570a_100000694244_100010141301 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.11 C=C(C)c1cc(cc(c1)OC)C 271570a_100000694244_100010187550 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.11 C=C(C)c1cc(cc(c1)OC)Cl 271570a_100000694244_100010147680 [0,2,0,0,0,0|2,0,0]=4 4313 B12R1.11 C=C(C)c1cc(cc(c1)OC)F 271570a_100000694244_100011934182 [0,2,0,0,0,0|2,0,0]=4 4314 B12R1.11 C=C(C)c1cc(cc(c1)OC)N 271570a_100000694244_100000750983 [0,2,0,0,0,0|2,0,0]=4 4315 B12R1.11 C=C(C)c1cc(cc(c1)OC)O 271570a_100000694244_100010068927 [0,2,0,0,0,0|2,0,0]=4 4316 B12R1.11 C=Cc1cc(cc(c1)B(O)O)O 271570a_100011290941_100010062373 [0,2,0,0,0,0|1,0,1]=4 4317 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)Br 271570a_100011290941_100010005435 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)C 271570a_100011290941_100000694479 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)F 271570a_100011290941_100012361402 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)C 271570a_100011290941_200012348365 [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)F 271570a_100011290941_200011280034 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)O 271570a_100011290941_100010084318 [0,2,0,0,0,0|1,0,0]=3 4323 B12R1.11 CC(=O)c1cc(cc(c1)C#N)Br 1458a_100011935128_200000210301 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.11 CC(=O)c1cc(cc(c1)C#N)C 1458a_100012001805_200000210301 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.11 CC(=O)c1cc(cc(c1)C#N)Cl 1458a_100011997934_200000210301 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.11 CC(=O)c1cc(cc(c1)C#N)F 1458a_100011356446_200000210301 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.11 CC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200000210301 [0,2,0,0,0,0|1,0,0]=3 4328 B12R1.11 CC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200000210301 [0,2,0,0,0,0|1,0,0]=3 4329 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,2,0,0,0,0|1,0,0]=3 4330 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,2,0,0,0,0|1,0,0]=3 4331 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [0,2,0,0,0,0|1,1,0]=4 4332 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [0,2,0,0,0,0|1,1,0]=4 4333 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,2,0,0,0,0|1,1,0]=4 4334 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,2,0,0,0,0|1,1,0]=4 4335 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [0,2,0,0,0,0|1,1,0]=4 4336 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [0,2,0,0,0,0|1,1,0]=4 4337 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 34a_200011998915_200000210301 [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 7a_200011998915_200000210301 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.11 COc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814751 [0,2,0,0,0,0|1,0,1]=4 4340 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [0,2,0,0,0,0|1,0,0]=3 4341 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,2,0,0,0,0|1,0,0]=3 4342 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,2,0,0,0,0|1,0,0]=3 4343 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,2,0,0,0,0|1,0,0]=3 4344 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [0,2,0,0,0,0|1,0,0]=3 4345 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [0,2,0,0,0,0|1,0,0]=3 4346 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [0,2,0,0,0,0|1,0,0]=3 4347 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [0,2,0,0,0,0|1,0,0]=3 4348 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [0,2,0,0,0,0|1,0,0]=3 4349 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200000210301 [0,2,0,0,0,0|1,0,0]=3 4350 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200000210301 [0,2,0,0,0,0|1,0,0]=3 4351 B12R1.11 COc1cc(cc(c1)C(=O)N)O 271570a_203496583355_100010146780 [0,2,0,0,0,0|1,0,0]=3 4352 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [0,2,0,0,0,0|1,0,0]=3 4353 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,2,0,0,0,0|1,0,0]=3 4354 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [0,2,0,0,0,0|1,0,0]=3 4355 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [0,2,0,0,0,0|1,0,0]=3 4356 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [0,2,0,0,0,0|1,0,0]=3 4357 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [0,2,0,0,0,0|1,0,0]=3 4358 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200000210301 [0,2,0,0,0,0|1,0,1]=4 4359 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200000210301 [0,2,0,0,0,0|1,0,1]=4 4360 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [0,2,0,0,0,0|1,0,1]=4 4361 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [0,2,0,0,0,0|1,0,1]=4 4362 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200000210301 [0,2,0,0,0,0|1,0,1]=4 4363 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200000210301 [0,2,0,0,0,0|1,0,1]=4 4364 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200000210301 [0,2,0,0,0,0|1,0,1]=4 4365 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200000210301 [0,2,0,0,0,0|1,0,1]=4 4366 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_100010062373_200000210301 [0,2,0,0,0,0|1,0,1]=4 4367 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_200000210301_100010062373 [0,2,0,0,0,0|1,0,1]=4 4368 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [0,2,0,0,0,0|1,1,0]=4 4369 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [0,2,0,0,0,0|1,1,0]=4 4370 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,2,0,0,0,0|1,1,0]=4 4371 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,2,0,0,0,0|1,1,0]=4 4372 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [0,2,0,0,0,0|1,1,0]=4 4373 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [0,2,0,0,0,0|1,1,0]=4 4374 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200000210301_200012348365 [0,2,0,0,0,0|1,1,0]=4 4375 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200012348365_200000210301 [0,2,0,0,0,0|1,1,0]=4 4376 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200000210301_200011280034 [0,2,0,0,0,0|1,1,0]=4 4377 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200011280034_200000210301 [0,2,0,0,0,0|1,1,0]=4 4378 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_100010084318_200000210301 [0,2,0,0,0,0|1,0,0]=3 4379 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_200000210301_100010084318 [0,2,0,0,0,0|1,0,0]=3 4380 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200012348365_200025704644 [0,2,0,0,0,0|1,1,0]=4 4381 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_200012348365 [0,2,0,0,0,0|1,1,0]=4 4382 B12R1.11 Cc1cc(cc(c1)C(=O)[13CH3])C#N 1458a_100012001805_200025704644 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [0,2,0,0,0,0|1,0,1]=4 4384 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [0,2,0,0,0,0|1,0,1]=4 4385 B12R1.11 O=Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100010231469 [0,2,0,0,0,0|1,0,1]=4 4386 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)Br 1458a_100011935128_200025704644 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)Cl 1458a_100011997934_200025704644 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)F 1458a_100011356446_200025704644 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200025704644 [0,2,0,0,0,0|1,0,0]=3 4390 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200025704644 [0,2,0,0,0,0|1,0,0]=3 4391 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 34a_200011998915_200025704644 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 7a_200011998915_200025704644 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200025704644 [0,2,0,0,0,0|1,0,0]=3 4394 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200025704644 [0,2,0,0,0,0|1,0,0]=3 4395 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200025704644 [0,2,0,0,0,0|1,0,1]=4 4396 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200025704644 [0,2,0,0,0,0|1,0,1]=4 4397 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200025704644 [0,2,0,0,0,0|1,0,1]=4 4398 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200025704644 [0,2,0,0,0,0|1,0,1]=4 4399 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200025704644 [0,2,0,0,0,0|1,0,1]=4 4400 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200025704644 [0,2,0,0,0,0|1,0,1]=4 4401 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_100010062373_200025704644 [0,2,0,0,0,0|1,0,1]=4 4402 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_200025704644_100010062373 [0,2,0,0,0,0|1,0,1]=4 4403 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200011280034_200025704644 [0,2,0,0,0,0|1,1,0]=4 4404 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200025704644_200011280034 [0,2,0,0,0,0|1,1,0]=4 4405 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_100010084318_200025704644 [0,2,0,0,0,0|1,0,0]=3 4406 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_200025704644_100010084318 [0,2,0,0,0,0|1,0,0]=3 4407 B12R1.102 CS(=O)(=O)c1cc(cc(c1)F)O 271570a_203496583355_200010884439 [0,2,0,0,0,0|1,0,1]=4 4408 B12R1.102 CS(=O)(=O)c1cc(cc(c1)O)N 271570a_203496583355_200010115582 [0,2,0,0,0,0|1,0,1]=4 4409 B12R1.511 C=C(C)c1cc(cc(c1C)C)O 271570a_100000694244_100010068915 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.511 CC(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200000210301 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.511 CC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_200000210301 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.511 CC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_200000210301 [0,2,0,0,0,0|2,0,0]=4 4415 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_200000210301 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_200000210301 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.511 CC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_200000210301 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.511 CC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_200000210301 [0,2,0,0,0,0|1,0,0]=3 4420 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200000210301 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200000210301 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.511 CC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_200000210301 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200000210301 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200000210301 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200000210301 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200000210301 [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.511 CC(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200000210301 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.511 CC(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200000210301 [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.511 CC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_200000210301 [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200000210301 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200000210301 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.511 CC(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200000210301 [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.511 CC(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200000210301 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.511 CC(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200000210301 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.511 CC(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200000210301 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,2,0,0,0,0|1,0,0]=3 4447 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100012356187_200025704644 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Cl 1458a_100012921640_200025704644 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)F 1458a_100010768523_200025704644 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)O 1458a_100011101721_200025704644 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Br 1458a_100012347597_200025704644 [0,2,0,0,0,0|2,0,0]=4 4453 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Cl 1458a_100012177191_200025704644 [0,2,0,0,0,0|2,0,0]=4 4454 B12R1.511 Cc1cc(c(c(c1)B(O)O)C)O 271570a_203496583355_100010254868 [0,2,0,0,0,0|1,0,1]=4 4455 B12R1.511 Cc1cc(c(c(c1)B(O)O)F)O 271570a_203496583355_200010212287 [0,2,0,0,0,0|1,0,1]=4 4456 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.511 Cc1cc(cc(c1Cl)C(=O)[13CH3])F 1458a_200010768536_200025704644 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.511 Cc1cc(cc(c1F)B(O)O)O 271570a_203496583355_100009814744 [0,2,0,0,0,0|1,0,1]=4 4463 B12R1.511 Cc1cc(cc(c1F)C(=O)[13CH3])Br 1458a_100012928937_200025704644 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.511 NC(=O)c1cc(cc(c1O)O)F 271570a_203496583355_200135271384 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.511 OB(O)c1cc(cc(c1F)Br)O 271570a_203496583355_202126039154 [0,2,0,0,0,0|1,0,1]=4 4468 B12R1.511 OB(O)c1cc(cc(c1F)F)O 271570a_203496583355_200010091563 [0,2,0,0,0,0|1,0,1]=4 4469 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200025704644 [0,2,0,0,0,0|2,0,0]=4 4470 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200025704644 [0,2,0,0,0,0|2,0,0]=4 4471 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200025704644 [0,2,0,0,0,0|2,0,0]=4 4472 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200025704644 [0,2,0,0,0,0|2,0,0]=4 4473 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200025704644 [0,2,0,0,0,0|2,0,0]=4 4474 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200025704644 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200025704644 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200025704644 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200025704644 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200025704644 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200025704644 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200025704644 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200025704644 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200025704644 [0,2,0,0,0,0|2,0,0]=4 4483 B12R1.511 [13CH3]C(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200025704644 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,2,0,0,0,0|2,0,0]=4 4489 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.128 CC(C)(O)c1cc(ccc1F)O 271570a_203496583355_100012636306 [0,2,0,0,0,0|1,0,1]=4 4492 B12R1.128 CS(=O)(=O)c1cc(ccc1Br)O 271570a_203496583355_100011102953 [0,2,0,0,0,0|1,0,1]=4 4493 B12R1.128 CS(=O)(=O)c1cc(ccc1F)O 271570a_203496583355_100010195686 [0,2,0,0,0,0|1,0,1]=4 4494 B12R1.128 CS(=O)(=O)c1cc(ccc1N)O 271570a_203496583355_100000692581 [0,2,0,0,0,0|1,0,1]=4 4495 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [0,2,0,0,0,0|1,0,1]=4 4496 B12R1.128 Cc1ccc(cc1S(=O)(=O)C)O 271570a_203496583355_100009814363 [0,2,0,0,0,0|1,0,1]=4 4497 B12R1.128 NS(=O)(=O)c1cc(ccc1F)O 271570a_203496583355_100000729927 [0,2,0,0,0,0|1,0,1]=4 4498 B12R1.128 Nc1ccc(cc1S(=O)(=O)N)O 271570a_203496583355_100011388931 [0,2,0,0,0,0|1,0,1]=4 4499 B12R1.228 NS(=O)(=O)c1cccc(c1F)O 271570a_203496583355_100011217397 [0,2,0,0,0,0|1,0,1]=4 4500 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 34a_200000085863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4501 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 7a_200000085863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4502 B12R1.436 COc1cccc(c1)C(C)(C)O 34a_200000085863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4503 B12R1.436 COc1cccc(c1)C(C)(C)O 7a_200000085863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4504 B12R1.436 COc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200000210301 [0,2,0,0,0,0|1,0,1]=4 4505 B12R1.436 [13CH3]Oc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200025704644 [0,2,0,0,0,0|1,0,1]=4 4506 B12R1.87 C=C(C)c1cccc(c1C#N)O 271570a_100000694244_100012180507 [0,2,0,0,0,0|2,0,0]=4 4507 B12R1.87 C=C(C)c1cccc(c1C=O)O 271570a_100000694244_100009814793 [0,2,0,0,0,0|2,0,0]=4 4508 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [0,2,0,0,0,0|2,0,0]=4 4512 B12R1.87 CC(=O)c1cccc(c1C#N)F 1458a_100000702252_200000210301 [0,2,0,0,0,0|2,0,0]=4 4513 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|2,0,0]=4 4514 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|2,0,0]=4 4515 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,2,0,0,0,0|2,0,0]=4 4516 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,2,0,0,0,0|2,0,0]=4 4517 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,2,0,0,0,0|2,0,0]=4 4520 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,2,0,0,0,0|2,0,0]=4 4521 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,2,0,0,0,0|2,0,0]=4 4522 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,2,0,0,0,0|2,0,0]=4 4523 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [0,2,0,0,0,0|2,0,0]=4 4524 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [0,2,0,0,0,0|2,0,0]=4 4525 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [0,2,0,0,0,0|1,0,1]=4 4527 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,2,0,0,0,0|2,0,0]=4 4528 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,2,0,0,0,0|2,0,0]=4 4532 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,2,0,0,0,0|2,0,0]=4 4533 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,2,0,0,0,0|1,0,0]=3 4538 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,2,0,0,0,0|1,0,0]=3 4544 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|2,0,0]=4 4546 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,2,0,0,0,0|2,0,0]=4 4547 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,2,0,0,0,0|2,0,0]=4 4548 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,2,0,0,0,0|1,0,0]=3 4549 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,2,0,0,0,0|2,0,0]=4 4550 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,2,0,0,0,0|2,0,0]=4 4551 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [0,2,0,0,0,0|2,0,0]=4 4556 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.87 N#Cc1c(cccc1B(O)O)O 271570a_203496583355_100010231474 [0,2,0,0,0,0|1,0,1]=4 4559 B12R1.87 O=Cc1c(cccc1B(O)O)O 271570a_203496583355_100009861587 [0,2,0,0,0,0|1,0,1]=4 4560 B12R1.87 [13CH3]C(=O)c1cccc(c1C#N)F 1458a_100000702252_200025704644 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,2,0,0,0,0|2,0,0]=4 4564 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,2,0,0,0,0|2,0,0]=4 4565 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,2,0,0,0,0|2,0,0]=4 4566 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,2,0,0,0,0|2,0,0]=4 4567 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [0,2,0,0,0,0|2,0,0]=4 4568 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [0,2,0,0,0,0|2,0,0]=4 4569 B12R1.440 C=C(C)c1cccc(c1Br)CO 271570a_100000694244_100010240205 [0,2,0,0,0,0|2,0,0]=4 4570 B12R1.440 C=C(C)c1cccc(c1C)CO 271570a_100000694244_100000694458 [0,2,0,0,0,0|2,0,0]=4 4571 B12R1.440 C=C(C)c1cccc(c1C)OC 271570a_100000694244_100010002647 [0,2,0,0,0,0|2,0,0]=4 4572 B12R1.440 C=C(C)c1cccc(c1Cl)OC 271570a_100000694244_100010147677 [0,2,0,0,0,0|2,0,0]=4 4573 B12R1.440 C=C(C)c1cccc(c1F)CO 271570a_100000694244_100011935076 [0,2,0,0,0,0|2,0,0]=4 4574 B12R1.440 C=C(C)c1cccc(c1F)OC 271570a_100000694244_100010185846 [0,2,0,0,0,0|2,0,0]=4 4575 B12R1.440 C=C(C)c1cccc(c1N)CO 271570a_100000694244_100012349457 [0,2,0,0,0,0|2,0,0]=4 4576 B12R1.440 C=C(C)c1cccc(c1N)OC 271570a_100000694244_100000708083 [0,2,0,0,0,0|2,0,0]=4 4577 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [0,2,0,0,0,0|2,0,0]=4 4578 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,2,0,0,0,0|2,0,0]=4 4579 B12R1.440 C=Cc1cccc(c1C)C(=O)N 271570a_100011290941_200012298201 [0,2,0,0,0,0|2,0,0]=4 4580 B12R1.440 C=Cc1cccc(c1F)C(=O)C 271570a_100011290941_100012355707 [0,2,0,0,0,0|2,0,0]=4 4581 B12R1.440 C=Cc1cccc(c1F)C(=O)N 271570a_100011290941_100012351131 [0,2,0,0,0,0|2,0,0]=4 4582 B12R1.440 C=Cc1cccc(c1N)C(=O)N 271570a_100011290941_100010144993 [0,2,0,0,0,0|2,0,0]=4 4583 B12R1.440 C=Cc1cccc(c1O)C(=O)C 271570a_100011290941_100009815558 [0,2,0,0,0,0|2,0,0]=4 4584 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,2,0,0,0,0|1,0,0]=3 4586 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,2,0,0,0,0|1,1,0]=4 4587 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,2,0,0,0,0|1,1,0]=4 4588 B12R1.440 CC(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200000210301 [0,2,0,0,0,0|2,0,0]=4 4589 B12R1.440 CC(=O)c1cccc(c1F)C#N 1458a_100011999812_200000210301 [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,2,0,0,0,0|1,0,0]=3 4591 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,2,0,0,0,0|1,0,0]=3 4592 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,2,0,0,0,0|1,1,0]=4 4593 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,2,0,0,0,0|1,1,0]=4 4594 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,2,0,0,0,0|1,0,0]=3 4595 B12R1.440 CC(=O)c1cccc(c1O)C#N 1458a_100009886288_200000210301 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.440 CNc1cccc(c1C)C(=O)N 34a_100000738810_200000210301 [0,2,0,0,0,0|2,0,0]=4 4597 B12R1.440 CNc1cccc(c1C)C(=O)N 7a_100000738810_200000210301 [0,2,0,0,0,0|2,0,0]=4 4598 B12R1.440 CNc1cccc(c1F)C(=O)N 34a_100014075672_200000210301 [0,2,0,0,0,0|2,0,0]=4 4599 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,2,0,0,0,0|1,0,0]=3 4600 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,2,0,0,0,0|1,0,0]=3 4601 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [0,2,0,0,0,0|1,0,1]=4 4602 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [0,2,0,0,0,0|1,0,1]=4 4603 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,2,0,0,0,0|1,0,0]=3 4604 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,2,0,0,0,0|1,0,0]=3 4605 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,2,0,0,0,0|1,0,0]=3 4606 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,2,0,0,0,0|1,0,0]=3 4607 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [0,2,0,0,0,0|1,0,1]=4 4608 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [0,2,0,0,0,0|1,0,1]=4 4609 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,2,0,0,0,0|1,0,0]=3 4610 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,2,0,0,0,0|1,0,0]=3 4611 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4612 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4613 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,2,0,0,0,0|1,0,0]=3 4614 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,2,0,0,0,0|1,0,0]=3 4615 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,2,0,0,0,0|1,0,0]=3 4616 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [0,2,0,0,0,0|1,0,0]=3 4617 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [0,2,0,0,0,0|1,0,0]=3 4618 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,2,0,0,0,0|1,0,0]=3 4619 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [0,2,0,0,0,0|1,0,1]=4 4620 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [0,2,0,0,0,0|1,0,1]=4 4621 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,2,0,0,0,0|1,0,0]=3 4622 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,2,0,0,0,0|1,0,0]=3 4623 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [0,2,0,0,0,0|1,0,1]=4 4624 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,2,0,0,0,0|1,0,0]=3 4625 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [0,2,0,0,0,0|1,0,1]=4 4626 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,2,0,0,0,0|1,0,0]=3 4627 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,2,0,0,0,0|1,0,0]=3 4628 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,2,0,0,0,0|1,1,0]=4 4629 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,2,0,0,0,0|1,1,0]=4 4630 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200000210301_200012298201 [0,2,0,0,0,0|1,1,0]=4 4631 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200012298201_200000210301 [0,2,0,0,0,0|1,1,0]=4 4632 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,2,0,0,0,0|1,1,0]=4 4633 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,2,0,0,0,0|1,1,0]=4 4634 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_100012351131_200000210301 [0,2,0,0,0,0|1,1,0]=4 4635 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_200000210301_100012351131 [0,2,0,0,0,0|1,1,0]=4 4636 B12R1.440 CSc1cccc(c1N)C(=O)N 62a_100010144993_200000210301 [0,2,0,0,0,0|1,1,0]=4 4637 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 34a_100000738810_200025704644 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 7a_100000738810_200025704644 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200012298201_200025704644 [0,2,0,0,0,0|1,1,0]=4 4640 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200025704644_200012298201 [0,2,0,0,0,0|1,1,0]=4 4641 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [0,2,0,0,0,0|1,0,1]=4 4642 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [0,2,0,0,0,0|1,0,1]=4 4643 B12R1.440 [13CH3]C(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200025704644 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.440 [13CH3]C(=O)c1cccc(c1F)C#N 1458a_100011999812_200025704644 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.440 [13CH3]C(=O)c1cccc(c1O)C#N 1458a_100009886288_200025704644 [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.440 [13CH3]Nc1cccc(c1F)C(=O)N 34a_100014075672_200025704644 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [0,2,0,0,0,0|1,0,1]=4 4648 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [0,2,0,0,0,0|1,0,1]=4 4649 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4650 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4651 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [0,2,0,0,0,0|1,0,1]=4 4654 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [0,2,0,0,0,0|1,0,1]=4 4655 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [0,2,0,0,0,0|1,0,1]=4 4656 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [0,2,0,0,0,0|1,0,1]=4 4657 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_100012351131_200025704644 [0,2,0,0,0,0|1,1,0]=4 4658 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_200025704644_100012351131 [0,2,0,0,0,0|1,1,0]=4 4659 B12R1.440 [13CH3]Sc1cccc(c1N)C(=O)N 62a_100010144993_200025704644 [0,2,0,0,0,0|1,1,0]=4 4660 B12R1.894 C=C(C)c1c(ccc(c1C)O)C 271570a_100000694244_100010659238 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.894 CC(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200000210301 [0,2,0,0,0,0|2,0,0]=4 4663 B12R1.894 CC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_200000210301 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.894 CC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_200000210301 [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.894 CC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_200000210301 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200000210301 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200000210301 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200000210301 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200000210301 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200000210301 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200000210301 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200000210301 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200000210301 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.894 CC(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200000210301 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200000210301 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200000210301 [0,2,0,0,0,0|2,0,0]=4 4682 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200000210301 [0,2,0,0,0,0|2,0,0]=4 4683 B12R1.894 CC(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200000210301 [0,2,0,0,0,0|2,0,0]=4 4684 B12R1.894 CC(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200000210301 [0,2,0,0,0,0|2,0,0]=4 4685 B12R1.894 CC(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200000210301 [0,2,0,0,0,0|2,0,0]=4 4686 B12R1.894 CC(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200000210301 [0,2,0,0,0,0|2,0,0]=4 4687 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,2,0,0,0,0|2,0,0]=4 4688 B12R1.894 CC(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200000210301 [0,2,0,0,0,0|2,0,0]=4 4689 B12R1.894 CC(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200000210301 [0,2,0,0,0,0|2,0,0]=4 4690 B12R1.894 CC(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200000210301 [0,2,0,0,0,0|2,0,0]=4 4691 B12R1.894 CC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200000210301 [0,2,0,0,0,0|1,0,0]=3 4692 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200000210301 [0,2,0,0,0,0|2,0,0]=4 4695 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,2,0,0,0,0|2,0,0]=4 4696 B12R1.894 CC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200000210301 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])Br)F 1458a_100010768524_200025704644 [0,2,0,0,0,0|2,0,0]=4 4698 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])F)Br 1458a_100010768519_200025704644 [0,2,0,0,0,0|2,0,0]=4 4699 B12R1.894 Cc1ccc(c(c1B(O)O)F)O 271570a_203496583355_100016072109 [0,2,0,0,0,0|1,0,1]=4 4700 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,2,0,0,0,0|2,0,0]=4 4701 B12R1.894 Cc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_100012355652_200025704644 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,2,0,0,0,0|2,0,0]=4 4703 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,2,0,0,0,0|2,0,0]=4 4705 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,2,0,0,0,0|2,0,0]=4 4706 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,2,0,0,0,0|2,0,0]=4 4707 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,2,0,0,0,0|2,0,0]=4 4708 B12R1.894 OB(O)c1c(ccc(c1F)O)Br 271570a_203496583355_200010201209 [0,2,0,0,0,0|1,0,1]=4 4709 B12R1.894 OB(O)c1c(ccc(c1F)O)F 271570a_203496583355_200011356793 [0,2,0,0,0,0|1,0,1]=4 4710 B12R1.894 OB(O)c1c(ccc(c1F)O)O 271570a_203496583355_200010254889 [0,2,0,0,0,0|1,0,1]=4 4711 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200025704644 [0,2,0,0,0,0|2,0,0]=4 4712 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200025704644 [0,2,0,0,0,0|2,0,0]=4 4713 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200025704644 [0,2,0,0,0,0|2,0,0]=4 4714 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200025704644 [0,2,0,0,0,0|2,0,0]=4 4715 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200025704644 [0,2,0,0,0,0|2,0,0]=4 4716 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200025704644 [0,2,0,0,0,0|2,0,0]=4 4717 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200025704644 [0,2,0,0,0,0|2,0,0]=4 4718 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200025704644 [0,2,0,0,0,0|2,0,0]=4 4719 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200025704644 [0,2,0,0,0,0|2,0,0]=4 4720 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200025704644 [0,2,0,0,0,0|2,0,0]=4 4721 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200025704644 [0,2,0,0,0,0|2,0,0]=4 4722 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200025704644 [0,2,0,0,0,0|2,0,0]=4 4723 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200025704644 [0,2,0,0,0,0|2,0,0]=4 4724 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200025704644 [0,2,0,0,0,0|2,0,0]=4 4725 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200025704644 [0,2,0,0,0,0|2,0,0]=4 4726 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200025704644 [0,2,0,0,0,0|2,0,0]=4 4727 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200025704644 [0,2,0,0,0,0|2,0,0]=4 4728 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,2,0,0,0,0|2,0,0]=4 4729 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200025704644 [0,2,0,0,0,0|2,0,0]=4 4730 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200025704644 [0,2,0,0,0,0|2,0,0]=4 4731 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200025704644 [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200025704644 [0,2,0,0,0,0|1,0,0]=3 4733 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200025704644 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200025704644 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.46 C=C(C)c1cc(ccc1C#N)O 271570a_100000694244_100012184851 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.46 C=C(C)c1cc(ccc1C=O)O 271570a_100000694244_100011236494 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.46 C=C(C)c1cc(ccc1CO)O 271570a_100000694244_100010146404 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,2,0,0,0,0|2,0,0]=4 4741 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [0,2,0,0,0,0|2,0,0]=4 4745 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [0,2,0,0,0,0|2,0,0]=4 4749 B12R1.46 CC(=O)c1cc(ccc1C#N)F 1458a_100011217471_200000210301 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.46 CNc1ccc(cc1C(=O)N)Br 27a_100102657272_200000162314 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.46 CNc1ccc(cc1C(=O)N)Br 34a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.46 CNc1ccc(cc1C(=O)N)Br 7a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 34a_100000743835_200000210301 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 7a_100000743835_200000210301 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.46 CNc1ccc(cc1C(=O)N)F 34a_100000741173_200000210301 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.46 CNc1ccc(cc1C(=O)N)F 7a_100000741173_200000210301 [0,2,0,0,0,0|2,0,0]=4 4775 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [0,2,0,0,0,0|1,0,0]=3 4776 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [0,2,0,0,0,0|1,0,1]=4 4777 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,2,0,0,0,0|2,0,0]=4 4784 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,2,0,0,0,0|2,0,0]=4 4785 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,2,0,0,0,0|1,0,0]=3 4792 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,2,0,0,0,0|1,0,0]=3 4793 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,2,0,0,0,0|2,0,0]=4 4794 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,2,0,0,0,0|2,0,0]=4 4795 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,2,0,0,0,0|2,0,0]=4 4796 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,2,0,0,0,0|2,0,0]=4 4797 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,2,0,0,0,0|2,0,0]=4 4798 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,2,0,0,0,0|1,0,0]=3 4809 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,2,0,0,0,0|2,0,0]=4 4813 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,2,0,0,0,0|2,0,0]=4 4814 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,2,0,0,0,0|2,0,0]=4 4815 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,2,0,0,0,0|2,0,0]=4 4816 B12R1.46 CSc1ccc(cc1C(=O)N)Br 62a_200000162314_200000210301 [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,2,0,0,0,0|2,0,0]=4 4818 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_100000206434_200000210301 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_200000210301_100000206434 [0,2,0,0,0,0|2,0,0]=4 4821 B12R1.46 CSc1ccc(cc1C(=O)N)N 62a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 4822 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [0,2,0,0,0,0|1,0,0]=3 4823 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.46 N#Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010231475 [0,2,0,0,0,0|1,0,1]=4 4829 B12R1.46 [13CH3]C(=O)c1cc(ccc1C#N)F 1458a_100011217471_200025704644 [0,2,0,0,0,0|2,0,0]=4 4830 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 4831 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 4832 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200025704644 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200025704644 [0,2,0,0,0,0|2,0,0]=4 4834 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 34a_100000741173_200025704644 [0,2,0,0,0,0|2,0,0]=4 4835 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 7a_100000741173_200025704644 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,2,0,0,0,0|2,0,0]=4 4837 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,2,0,0,0,0|2,0,0]=4 4838 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,2,0,0,0,0|2,0,0]=4 4839 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,2,0,0,0,0|2,0,0]=4 4840 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,2,0,0,0,0|2,0,0]=4 4843 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,2,0,0,0,0|2,0,0]=4 4844 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200025704644 [0,2,0,0,0,0|2,0,0]=4 4845 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_100000206434_200025704644 [0,2,0,0,0,0|2,0,0]=4 4846 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_200025704644_100000206434 [0,2,0,0,0,0|2,0,0]=4 4847 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)N 62a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [0,2,0,0,0,0|1,0,0]=3 4849 B12R1.453 C=C(C)c1cc(ccc1Br)OC 271570a_100000694244_100009992028 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.453 C=C(C)c1cc(ccc1C)CO 271570a_100000694244_100000050133 [0,2,0,0,0,0|2,0,0]=4 4851 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [0,2,0,0,0,0|2,0,0]=4 4852 B12R1.453 C=C(C)c1cc(ccc1Cl)OC 271570a_100000694244_100011356938 [0,2,0,0,0,0|2,0,0]=4 4853 B12R1.453 C=C(C)c1cc(ccc1F)CO 271570a_100000694244_100000246287 [0,2,0,0,0,0|2,0,0]=4 4854 B12R1.453 C=C(C)c1cc(ccc1F)OC 271570a_100000694244_100000699733 [0,2,0,0,0,0|2,0,0]=4 4855 B12R1.453 C=C(C)c1cc(ccc1N)OC 271570a_100000694244_100015195136 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)C 271570a_100011290941_100012257281 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)F 271570a_100011290941_100000162119 [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)N 271570a_100011290941_100000740421 [0,2,0,0,0,0|2,0,0]=4 4866 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.453 CC(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200000210301 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,2,0,0,0,0|1,0,0]=3 4869 B12R1.453 CC(=O)c1cc(ccc1C)C#N 1458a_200012187059_200000210301 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,2,0,0,0,0|1,1,0]=4 4871 B12R1.453 CC(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200000210301 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,2,0,0,0,0|1,0,0]=3 4873 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,2,0,0,0,0|1,0,0]=3 4874 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,2,0,0,0,0|1,1,0]=4 4875 B12R1.453 CC(=O)c1cc(ccc1F)C#N 1458a_100011218479_200000210301 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,2,0,0,0,0|1,0,0]=3 4877 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,2,0,0,0,0|1,0,0]=3 4878 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,2,0,0,0,0|1,1,0]=4 4879 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,2,0,0,0,0|1,1,0]=4 4880 B12R1.453 CC(=O)c1cc(ccc1I)C#N 1458a_200010191847_200000210301 [0,2,0,0,0,0|2,0,0]=4 4881 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,2,0,0,0,0|1,1,0]=4 4882 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,2,0,0,0,0|2,0,0]=4 4883 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,2,0,0,0,0|1,0,0]=3 4884 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,2,0,0,0,0|2,0,0]=4 4886 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 4888 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,2,0,0,0,0|2,0,0]=4 4889 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,2,0,0,0,0|2,0,0]=4 4890 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [0,2,0,0,0,0|2,0,0]=4 4891 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [0,2,0,0,0,0|2,0,0]=4 4892 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [0,2,0,0,0,0|2,0,0]=4 4893 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [0,2,0,0,0,0|2,0,0]=4 4894 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,2,0,0,0,0|1,0,1]=4 4895 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,2,0,0,0,0|1,0,0]=3 4896 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,2,0,0,0,0|1,0,0]=3 4897 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,2,0,0,0,0|1,0,0]=3 4898 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,2,0,0,0,0|1,0,0]=3 4899 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,2,0,0,0,0|1,0,0]=3 4900 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,2,0,0,0,0|1,0,0]=3 4901 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,2,0,0,0,0|1,0,0]=3 4902 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,2,0,0,0,0|1,0,0]=3 4903 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,2,0,0,0,0|1,0,0]=3 4904 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,2,0,0,0,0|1,0,0]=3 4905 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,2,0,0,0,0|1,0,0]=3 4906 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,2,0,0,0,0|1,0,0]=3 4907 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,2,0,0,0,0|1,0,0]=3 4908 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,2,0,0,0,0|1,0,0]=3 4909 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,2,0,0,0,0|1,0,0]=3 4910 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,2,0,0,0,0|1,0,0]=3 4911 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,2,0,0,0,0|1,0,0]=3 4912 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,2,0,0,0,0|1,0,0]=3 4913 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [0,2,0,0,0,0|1,0,1]=4 4914 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [0,2,0,0,0,0|1,0,1]=4 4915 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [0,2,0,0,0,0|1,0,1]=4 4916 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [0,2,0,0,0,0|1,0,1]=4 4917 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [0,2,0,0,0,0|1,0,1]=4 4918 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [0,2,0,0,0,0|1,0,1]=4 4919 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [0,2,0,0,0,0|1,0,1]=4 4920 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [0,2,0,0,0,0|1,0,1]=4 4921 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [0,2,0,0,0,0|1,0,1]=4 4922 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [0,2,0,0,0,0|1,0,1]=4 4923 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [0,2,0,0,0,0|1,0,1]=4 4924 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,2,0,0,0,0|1,1,0]=4 4925 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,2,0,0,0,0|1,1,0]=4 4926 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,2,0,0,0,0|1,1,0]=4 4927 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,2,0,0,0,0|1,1,0]=4 4928 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,2,0,0,0,0|1,1,0]=4 4929 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,2,0,0,0,0|1,1,0]=4 4930 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,2,0,0,0,0|1,1,0]=4 4931 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,2,0,0,0,0|1,1,0]=4 4932 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,2,0,0,0,0|1,1,0]=4 4933 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [0,2,0,0,0,0|1,1,0]=4 4934 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [0,2,0,0,0,0|1,1,0]=4 4935 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,2,0,0,0,0|1,1,0]=4 4936 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,2,0,0,0,0|1,1,0]=4 4937 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,2,0,0,0,0|1,1,0]=4 4938 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,2,0,0,0,0|1,1,0]=4 4941 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,2,0,0,0,0|1,1,0]=4 4942 B12R1.453 Cc1ccc(cc1C(=O)[13CH3])C#N 1458a_200012187059_200025704644 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [0,2,0,0,0,0|1,0,1]=4 4944 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [0,2,0,0,0,0|1,0,1]=4 4945 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200025704644 [0,2,0,0,0,0|2,0,0]=4 4946 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.453 [13CH3]C(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200025704644 [0,2,0,0,0,0|2,0,0]=4 4948 B12R1.453 [13CH3]C(=O)c1cc(ccc1F)C#N 1458a_100011218479_200025704644 [0,2,0,0,0,0|2,0,0]=4 4949 B12R1.453 [13CH3]C(=O)c1cc(ccc1I)C#N 1458a_200010191847_200025704644 [0,2,0,0,0,0|2,0,0]=4 4950 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,2,0,0,0,0|1,0,0]=3 4952 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [0,2,0,0,0,0|1,0,1]=4 4959 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [0,2,0,0,0,0|1,0,1]=4 4960 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [0,2,0,0,0,0|1,0,1]=4 4961 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [0,2,0,0,0,0|1,0,1]=4 4962 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [0,2,0,0,0,0|1,0,1]=4 4963 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [0,2,0,0,0,0|1,0,1]=4 4964 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [0,2,0,0,0,0|1,0,1]=4 4965 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [0,2,0,0,0,0|1,0,1]=4 4966 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [0,2,0,0,0,0|1,0,1]=4 4967 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [0,2,0,0,0,0|1,1,0]=4 4968 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [0,2,0,0,0,0|1,1,0]=4 4969 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,2,0,0,0,0|1,1,0]=4 4970 B12R1.258 C=C(C)c1cccc(c1)B(O)O 271570a_100000694244_100000687717 [0,2,0,0,0,0|2,0,0]=4 4971 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,2,0,0,0,0|2,0,0]=4 4972 B12R1.258 C=C(C)c1cccc(c1)C(=O)N 271570a_100000694244_100000162208 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.258 C=C(C)c1cccc(c1)C(C)O 271570a_100000694244_100000246457 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.258 CC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200000210301 [0,2,0,0,0,0|1,0,1]=4 4975 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,2,0,0,0,0|1,0,0]=3 4977 B12R1.258 CC(=O)c1cccc(c1)C(F)F 1458a_100000752119_200000210301 [0,2,0,0,0,0|2,0,0]=4 4978 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [0,2,0,0,0,0|2,0,0]=4 4979 B12R1.258 CC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200000210301 [0,2,0,0,0,0|1,0,1]=4 4980 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [0,2,0,0,0,0|2,0,0]=4 4981 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,2,0,0,0,0|1,0,0]=3 4982 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [0,2,0,0,0,0|2,0,0]=4 4983 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200025704644 [0,2,0,0,0,0|1,0,1]=4 4984 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(F)F 1458a_100000752119_200025704644 [0,2,0,0,0,0|2,0,0]=4 4985 B12R1.258 [13CH3]C(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200025704644 [0,2,0,0,0,0|1,0,1]=4 4986 B12R1.279 C=C(C)c1cccc(c1)CCO 271570a_100000694244_100011217444 [0,2,0,0,0,0|2,0,0]=4 4987 B12R1.279 C=C(C)c1cccc(c1)COC 271570a_100000694244_100011493687 [0,2,0,0,0,0|2,0,0]=4 4988 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [0,2,0,0,0,0|2,0,0]=4 4989 B12R1.279 C=C=Cc1cccc(c1)C(=O)C 271570a_100015277604_100000210093 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.279 C=C=Cc1cccc(c1)C(=O)N 271570a_100015277604_100000162208 [0,2,0,0,0,0|2,0,0]=4 4991 B12R1.279 CC(=O)c1cccc(c1)CC#N 1458a_100000027370_200000210301 [0,2,0,0,0,0|2,0,0]=4 4992 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [0,2,0,0,0,0|1,0,0]=3 4993 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [0,2,0,0,0,0|1,1,0]=4 4994 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [0,2,0,0,0,0|1,1,0]=4 4995 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,2,0,0,0,0|1,0,0]=3 4996 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,2,0,0,0,0|1,0,0]=3 4997 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [0,2,0,0,0,0|1,1,0]=4 4998 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [0,2,0,0,0,0|1,1,0]=4 4999 B12R1.279 CC(O)c1cccc(c1)OCF 34a_100000748013_100015361967 [0,2,0,0,0,0|1,0,1]=4 5000 B12R1.279 CC(O)c1cccc(c1)OCF 7a_100000748013_100015361967 [0,2,0,0,0,0|1,0,1]=4 5001 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [0,2,0,0,0,0|2,0,0]=4 5002 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [0,2,0,0,0,0|2,0,0]=4 5003 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [0,2,0,0,0,0|2,0,0]=4 5004 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,2,0,0,0,0|1,0,0]=3 5005 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,2,0,0,0,0|1,0,0]=3 5006 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,2,0,0,0,0|1,0,0]=3 5007 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,2,0,0,0,0|1,0,0]=3 5008 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,2,0,0,0,0|1,0,0]=3 5009 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,2,0,0,0,0|1,0,0]=3 5010 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [0,2,0,0,0,0|1,1,0]=4 5011 B12R1.279 CCOc1cccc(c1)C(C)O 34a_100000748013_100000210202 [0,2,0,0,0,0|1,0,1]=4 5012 B12R1.279 CCOc1cccc(c1)C(C)O 7a_100000748013_100000210202 [0,2,0,0,0,0|1,0,1]=4 5013 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,2,0,0,0,0|1,0,1]=4 5014 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,2,0,0,0,0|1,0,1]=4 5015 B12R1.279 CCOc1cncc(c1)C(=O)N 7a_100000698036_100000210202 [0,2,0,0,0,0|2,0,0]=4 5016 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,2,0,0,0,0|1,1,0]=4 5017 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,2,0,0,0,0|1,1,0]=4 5018 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [0,2,0,0,0,0|1,1,0]=4 5019 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [0,2,0,0,0,0|1,1,0]=4 5020 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [0,2,0,0,0,0|2,0,0]=4 5021 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [0,2,0,0,0,0|2,0,0]=4 5022 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [0,2,0,0,0,0|2,0,0]=4 5023 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [0,2,0,0,0,0|2,0,0]=4 5024 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [0,2,0,0,0,0|2,0,0]=4 5025 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [0,2,0,0,0,0|2,0,0]=4 5029 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [0,2,0,0,0,0|2,0,0]=4 5030 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [0,2,0,0,0,0|1,0,0]=3 5031 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [0,2,0,0,0,0|1,0,1]=4 5032 B12R1.279 COCc1cccc(c1)B(O)O 34a_100138415774_100009814088 [0,2,0,0,0,0|1,0,1]=4 5033 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [0,2,0,0,0,0|1,0,0]=3 5034 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [0,2,0,0,0,0|1,0,0]=3 5035 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [0,2,0,0,0,0|1,0,0]=3 5036 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [0,2,0,0,0,0|1,0,0]=3 5037 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [0,2,0,0,0,0|1,0,1]=4 5038 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [0,2,0,0,0,0|1,0,1]=4 5039 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [0,2,0,0,0,0|1,0,1]=4 5040 B12R1.279 COCc1cncc(c1)C(=O)N 34a_100138415774_200010162415 [0,2,0,0,0,0|2,0,0]=4 5041 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [0,2,0,0,0,0|1,1,0]=4 5042 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [0,2,0,0,0,0|1,1,0]=4 5043 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [0,2,0,0,0,0|1,1,0]=4 5044 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [0,2,0,0,0,0|1,1,0]=4 5045 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [0,2,0,0,0,0|2,0,0]=4 5046 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [0,2,0,0,0,0|1,0,0]=3 5048 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [0,2,0,0,0,0|1,1,0]=4 5049 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [0,2,0,0,0,0|1,1,0]=4 5050 B12R1.279 NC(=O)c1cncc(c1)OCF 7a_100000698036_100015361967 [0,2,0,0,0,0|2,0,0]=4 5051 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [0,2,0,0,0,0|1,1,0]=4 5052 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,2,0,0,0,0|1,0,1]=4 5053 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,2,0,0,0,0|1,0,1]=4 5054 B12R1.279 [13CH3]C(=O)c1cccc(c1)CC#N 1458a_100000027370_200025704644 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [0,2,0,0,0,0|1,0,0]=3 5056 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [0,2,0,0,0,0|2,0,0]=4 5057 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [0,2,0,0,0,0|1,0,0]=3 5058 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [0,2,0,0,0,0|1,0,1]=4 5059 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [0,2,0,0,0,0|1,0,1]=4 5060 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [0,2,0,0,0,0|1,1,0]=4 5061 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [0,2,0,0,0,0|1,1,0]=4 5062 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [0,0,1,1,0,0|2,0,0]=4 5063 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [0,0,1,1,0,0|2,0,0]=4 5064 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,1,1,0,0|1,1,0]=4 5065 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,1,1,0,0|1,0,1]=4 5066 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,1,1,0,0|1,1,0]=4 5067 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|1,0,1]=4 5068 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,0,0,1,0,1|2,0,0]=4 5069 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,0,0,1,0,1|2,0,0]=4 5070 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [0,0,0,1,0,1|2,0,0]=4 5071 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [0,0,0,1,0,1|2,0,0]=4 5072 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,0,0,1,0,1|2,0,0]=4 5073 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [0,0,0,1,0,1|2,0,0]=4 5074 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,0,0,1,0,1|1,0,0]=3 5075 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [0,0,0,1,0,1|1,1,0]=4 5076 B12R2.202 Cc1nc2cncc(c2o1)O 271570a_203496583355_100010197357 [0,0,0,1,0,1|2,0,0]=4 5077 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [0,0,0,1,0,1|1,1,0]=4 5078 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [0,0,0,1,0,1|2,0,0]=4 5079 B12R2.202 Nc1nc2c(cccc2s1)O 271570a_203496583355_100000724365 [0,0,0,1,0,1|2,0,0]=4 5080 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [0,0,0,1,0,1|1,0,0]=3 5081 B12R2.202 Nc1nc2cccc(c2s1)O 271570a_203496583355_100010235960 [0,0,0,1,0,1|1,1,0]=4 5082 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,0,0,1,0,1|1,0,0]=3 5083 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,0,0,1,0,1|2,0,0]=4 5084 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,0,0,1,0,1|1,0,0]=3 5085 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,0,0,1,0,1|1,0,0]=3 5086 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,0,0,1,0,1|0,0,0]=2 5087 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [0,0,0,1,0,1|2,0,0]=4 5088 B12R2.202 Oc1cc2c(nccc2s1)O 271570a_203496583355_100010116216 [0,0,0,1,0,1|2,0,0]=4 5089 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [0,0,0,1,0,1|2,0,0]=4 5090 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [0,0,0,1,0,1|1,0,1]=4 5091 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [0,0,0,1,0,1|1,0,0]=3 5092 B12R2.202 Oc1nc2c(cccc2s1)F 271570a_203496583355_100010008856 [0,0,0,1,0,1|2,0,0]=4 5093 B12R2.202 Oc1nc2c(cncc2[nH]1)O 271570a_203496583355_100012340553 [0,0,0,1,0,1|2,0,0]=4 5094 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,0,0,1,0,1|2,0,0]=4 5095 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,0,0,1,0,1|1,1,0]=4 5096 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,0,0,1,0,1|2,0,0]=4 5097 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,0,0,1,0,1|2,0,0]=4 5098 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [0,0,0,1,0,1|2,0,0]=4 5099 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,0,0,1,0,1|1,0,0]=3 5100 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [0,0,0,1,0,1|1,1,0]=4 5101 B12R2.606 Cc1nc2cc(cnc2o1)O 271570a_203496583355_100010178690 [0,0,0,1,0,1|2,0,0]=4 5102 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,0,0,1,0,1|2,0,0]=4 5103 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,0,0,1,0,1|2,0,0]=4 5104 B12R2.606 Nc1ccc2nc(sc2c1)O 271570a_203496583355_100010253933 [0,0,0,1,0,1|2,0,0]=4 5105 B12R2.606 Nc1ccc2sc(nc2c1)O 271570a_203496583355_100010329861 [0,0,0,1,0,1|1,1,0]=4 5106 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [0,0,0,1,0,1|2,0,0]=4 5107 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,0,0,1,0,1|1,0,0]=3 5108 B12R2.606 Nc1nc2cc(ccc2s1)O 271570a_203496583355_100011934045 [0,0,0,1,0,1|1,1,0]=4 5109 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,0,0,1,0,1|2,0,0]=4 5110 B12R2.606 Nc1nc2ccc(cc2s1)O 271570a_203496583355_100102524914 [0,0,0,1,0,1|2,0,0]=4 5111 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,1,0,1|1,0,0]=3 5112 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,0,0,1,0,1|2,0,0]=4 5113 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [0,0,0,1,0,1|2,0,0]=4 5114 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,1,0,1|1,0,0]=3 5115 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,1,0,1|1,0,0]=3 5116 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,0,0,1,0,1|2,0,0]=4 5117 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,0,0,1,0,1|2,0,0]=4 5118 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [0,0,0,1,0,1|2,0,0]=4 5119 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,0,0,1,0,1|2,0,0]=4 5120 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,1,0,1|0,0,0]=2 5121 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,1,0,1|0,1,0]=3 5122 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,1,0,1|1,0,0]=3 5123 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,1,0,1|1,0,0]=3 5124 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,1,0,1|1,0,0]=3 5125 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [0,0,0,1,0,1|2,0,0]=4 5126 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,0,0,1,0,1|2,0,0]=4 5127 B12R2.606 Oc1cc2[nH]c(nc2cn1)O 271570a_203496583355_100010516660 [0,0,0,1,0,1|2,0,0]=4 5128 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [0,0,0,1,0,1|2,0,0]=4 5129 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [0,0,0,1,0,1|1,1,0]=4 5130 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [0,0,0,1,0,1|1,0,1]=4 5131 B12R2.606 Oc1ccc2nc(sc2c1)Cl 271570a_203496583355_100010163703 [0,0,0,1,0,1|2,0,0]=4 5132 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,0,0,1,0,1|1,0,0]=3 5133 B12R2.606 Oc1cnc2[nH]c(nc2c1)O 271570a_203496583355_100000755142 [0,0,0,1,0,1|2,0,0]=4 5134 B12R2.606 Oc1nc2cc(ccc2s1)F 271570a_203496583355_200010206605 [0,0,0,1,0,1|1,1,0]=4 5135 B12R2.606 Oc1nc2ccc(cc2s1)F 271570a_203496583355_100000751617 [0,0,0,1,0,1|2,0,0]=4 5136 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,1,0,1,0,0|2,0,0]=4 5137 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,1,0,1,0,0|2,0,0]=4 5138 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [0,1,0,1,0,0|2,0,0]=4 5139 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [0,1,0,1,0,0|2,0,0]=4 5140 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|1,0,0]=3 5141 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [0,1,0,1,0,0|1,1,0]=4 5142 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [0,1,0,1,0,0|2,0,0]=4 5143 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|1,0,0]=3 5144 B12R2.132 Nc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353729 [0,1,0,1,0,0|2,0,0]=4 5145 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,1,0,0|1,1,0]=4 5146 B12R2.132 Nc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100011934329 [0,1,0,1,0,0|2,0,0]=4 5147 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,1,0,1,0,0|1,0,0]=3 5148 B12R2.132 Nc1nsc2c1cc(cc2)O 271570a_203496583355_100010244976 [0,1,0,1,0,0|1,1,0]=4 5149 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|1,0,0]=3 5150 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 5151 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|2,0,0]=4 5152 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|0,0,0]=2 5153 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|1,0,0]=3 5154 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|0,0,0]=2 5155 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|1,0,0]=3 5156 B12R2.132 O=c1[nH]nc2n1cc(cc2)O 271570a_203496583355_100010235869 [0,1,0,1,0,0|2,0,0]=4 5157 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|0,0,0]=2 5158 B12R2.132 Oc1ccc2[nH]nc(c2c1)Br 271570a_203496583355_200012353728 [0,1,0,1,0,0|2,0,0]=4 5159 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|1,0,1]=4 5160 B12R2.132 Oc1n[nH]c2c1cc(cc2)Br 271570a_203496583355_100010186058 [0,1,0,1,0,0|2,0,0]=4 5161 B12R2.132 Oc1n[nH]c2c1cc(cc2)Cl 271570a_203496583355_100010174404 [0,1,0,1,0,0|2,0,0]=4 5162 B12R2.132 Oc1n[nH]c2c1cc(cc2)F 271570a_203496583355_100011934747 [0,1,0,1,0,0|2,0,0]=4 5163 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,1,0,1,0,0|2,0,0]=4 5164 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [0,1,0,1,0,0|2,0,0]=4 5165 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [0,1,0,1,0,0|2,0,0]=4 5166 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|1,0,1]=4 5167 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [0,1,0,1,0,0|2,0,0]=4 5168 B12R2.196 Nc1n[nH]c2c1cccc2O 271570a_203496583355_100010069757 [0,1,0,1,0,0|2,0,0]=4 5169 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,1,0,1,0,0|1,0,0]=3 5170 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|1,0,0]=3 5171 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|0,0,0]=2 5172 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|1,0,0]=3 5173 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|0,0,0]=2 5174 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|1,0,0]=3 5175 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,1,0,0|1,0,1]=4 5176 B12R2.196 Oc1cccn2c1ncc2O 271570a_203496583355_200020799507 [0,1,0,1,0,0|2,0,0]=4 5177 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [0,1,0,1,0,0|2,0,0]=4 5178 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [0,1,0,1,0,0|2,0,0]=4 5179 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [0,1,0,1,0,0|2,0,0]=4 5180 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [0,1,0,1,0,0|1,0,0]=3 5181 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|1,0,0]=3 5182 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|1,0,0]=3 5183 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|1,0,0]=3 5184 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|1,0,0]=3 5185 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|1,0,0]=3 5186 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,0,0,0,1,0|2,0,0]=4 5187 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|1,0,0]=3 5188 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,0,0,0,1,0|2,0,0]=4 5189 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,0,0,0,1,0|2,0,0]=4 5190 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,0,0,0,1,0|2,0,0]=4 5191 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [1,0,0,0,1,0|1,0,1]=4 5192 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [1,0,0,0,1,0|1,0,1]=4 5193 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,0,0,0,1,0|1,0,1]=4 5194 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,0,0,0,1,0|1,0,0]=3 5195 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,0,0,0,1,0|1,0,0]=3 5196 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,0,0,0,1,0|1,0,0]=3 5197 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,0,0,0,1,0|1,0,0]=3 5198 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [1,0,0,0,1,0|1,0,1]=4 5199 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [1,0,0,0,1,0|1,0,1]=4 5200 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,0,0,0,1,0|1,0,1]=4 5201 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,1|2,0,0]=4 5202 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,1|2,0,0]=4 5203 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,1|1,0,0]=3 5204 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,1|2,0,0]=4 5205 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,1|2,0,0]=4 5206 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,1|2,0,0]=4 5207 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,1|2,0,0]=4 5208 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,1|2,0,0]=4 5209 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,1|1,0,0]=3 5210 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,1|1,0,0]=3 5211 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,1|1,0,0]=3 5212 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,1|1,0,0]=3 5213 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,1|2,0,0]=4 5214 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,1|2,0,0]=4 5215 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,1|2,0,0]=4 5216 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,0,0,0,0,2|2,0,0]=4 5217 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,0,0,0,0,2|2,0,0]=4 5218 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [0,0,0,0,0,2|2,0,0]=4 5219 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [0,0,0,0,0,2|2,0,0]=4 5220 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,0,0,0,0,2|1,0,0]=3 5221 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,0,0,0,0,2|2,0,0]=4 5222 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,0,0,0,0,2|2,0,0]=4 5223 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,0,0,0,0,2|2,0,0]=4 5224 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,0,0,0,0,2|2,0,0]=4 5225 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,0,0,0,0,2|1,0,0]=3 5226 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,0,0,0,0,2|2,0,0]=4 5227 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,0,0,0,0,2|2,0,0]=4 5228 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,0,0,0,0,2|2,0,0]=4 5229 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,0,0,0,0,2|2,0,0]=4 5230 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,0,0,0,0,2|2,0,0]=4 5231 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,0,0,0,0,2|2,0,0]=4 5232 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,0,0,0,0,2|2,0,0]=4 5233 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,0,0,0,0,2|2,0,0]=4 5234 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,0,0,0,0,2|2,0,0]=4 5235 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,0,0,0,0,2|2,0,0]=4 5236 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,0,0,0,0,2|2,0,0]=4 5237 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,0,0,0,0,2|2,0,0]=4 5238 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,0,0,0,0,2|2,0,0]=4 5239 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,0,0,0,0,2|2,0,0]=4 5240 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,0,0,0,0,2|1,0,0]=3 5241 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,0,0,0,0,2|1,0,0]=3 5242 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,0,0,0,0,2|2,0,0]=4 5243 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,0,0,0,0,2|2,0,0]=4 5244 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,0,0,0,0,2|2,0,0]=4 5245 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,0,0,0,0,2|2,0,0]=4 5246 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,0,0,0,0,2|2,0,0]=4 5247 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,0,0,0,0,2|2,0,0]=4 5248 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,0,0,0,0,2|2,0,0]=4 5249 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,0,0,0,0,2|2,0,0]=4 5250 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,0,0,0,0,2|2,0,0]=4 5251 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 5252 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 5253 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 5254 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,0,0,0,0,2|2,0,0]=4 5255 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,0,0,0,0,2|2,0,0]=4 5256 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,0,0,0,0,2|2,0,0]=4 5257 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,0,0,0,0,2|2,0,0]=4 5258 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,0,0,0,0,2|2,0,0]=4 5259 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,0,0,0,0,2|2,0,0]=4 5260 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,0,0,0,0,2|2,0,0]=4 5261 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,0,0,0,0,2|2,0,0]=4 5262 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,0,0,0,0,2|2,0,0]=4 5263 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,0,0,0,0,2|2,0,0]=4 5264 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,0,0,0,0,2|2,0,0]=4 5265 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,0,0,0,0,2|2,0,0]=4 5266 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,0,0,0,0,2|2,0,0]=4 5267 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,0,0,0,0,2|1,0,0]=3 5268 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,0,0,0,0,2|1,0,0]=3 5269 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,0,0,0,0,2|1,0,0]=3 5270 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [0,0,0,0,0,2|2,0,0]=4 5271 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [0,0,0,0,0,2|2,0,0]=4 5272 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [0,0,0,0,0,2|2,0,0]=4 5273 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,0,0,0,0,2|2,0,0]=4 5274 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,0,0,0,0,2|2,0,0]=4 5275 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,0,0,0,0,2|2,0,0]=4 5276 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,0,0,0,0,2|2,0,0]=4 5277 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,0,0,0,0,2|2,0,0]=4 5278 B12R1.226 CC(=O)NNc1cccc(n1)O 271570a_203496583355_200000079166 [0,0,0,0,0,2|2,0,0]=4 5279 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,0,0,0,0,2|1,0,1]=4 5280 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [0,0,0,0,0,2|1,0,1]=4 5281 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [0,0,0,0,0,2|1,0,1]=4 5282 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [0,0,0,0,0,2|1,0,1]=4 5283 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [0,0,0,0,0,2|1,0,1]=4 5284 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,0,0,0,0,2|2,0,0]=4 5285 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,0,0,0,0,2|2,0,0]=4 5286 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,0,0,0,0,2|2,0,0]=4 5287 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,0,0,0,0,2|2,0,0]=4 5288 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,0,0,0,0,2|2,0,0]=4 5289 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,0,0,0,0,2|1,0,1]=4 5290 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,0,0,0,0,2|2,0,0]=4 5291 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,0,0,0,0,2|2,0,0]=4 5292 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,0,0,0,0,2|2,0,0]=4 5293 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,0,0,0,0,2|1,0,1]=4 5294 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,0,0,0,0,2|2,0,0]=4 5295 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,0,0,0,0,2|2,0,0]=4 5296 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,0,0,0,0,2|1,0,1]=4 5297 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,0,0,0,0,2|1,0,1]=4 5298 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,0,0,0,0,2|1,0,0]=3 5299 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,0,0,0,0,2|2,0,0]=4 5300 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,0,0,0,0,2|2,0,0]=4 5301 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,0,0,0,0,2|2,0,0]=4 5302 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,0,0,0,0,2|2,0,0]=4 5303 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,0,0,0,0,2|1,0,0]=3 5304 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,0,0,0,0,2|2,0,0]=4 5305 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,0,0,0,0,2|2,0,0]=4 5306 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,0,0,0,0,2|2,0,0]=4 5307 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,0,0,0,0,2|2,0,0]=4 5308 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,0,0,0,0,2|2,0,0]=4 5309 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,0,0,0,0,2|2,0,0]=4 5310 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,0,0,0,0,2|2,0,0]=4 5311 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,0,0,0,0,2|2,0,0]=4 5312 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,0,0,0,0,2|2,0,0]=4 5313 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,0,0,0,0,2|1,0,0]=3 5314 B12R1.226 NC(=O)CSc1cc(ccn1)O 62a_100000747473_100000762945 [0,0,0,0,0,2|2,0,0]=4 5315 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,0,0,0,0,2|2,0,0]=4 5316 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,0,0,0,0,2|2,0,0]=4 5317 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,0,0,0,0,2|2,0,0]=4 5318 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,0,0,0,0,2|2,0,0]=4 5319 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,0,0,0,0,2|2,0,0]=4 5320 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,0,0,0,0,2|2,0,0]=4 5321 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,0,0,0,0,2|2,0,0]=4 5322 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,0,0,0,0,2|2,0,0]=4 5323 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,0,0,0,0,2|1,0,0]=3 5324 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,0,0,0,0,2|1,1,0]=4 5325 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,0,0,0,0,2|1,1,0]=4 5326 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000747473_100000754920 [0,0,0,0,0,2|2,0,0]=4 5327 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000754920_100000747473 [0,0,0,0,0,2|2,0,0]=4 5328 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,0,0,0,0,2|1,0,1]=4 5329 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,0,0,0,0,2|1,0,1]=4 5330 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,0,0,0,0,2|1,0,1]=4 5331 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,0,0,0,0,2|1,0,1]=4 5332 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,0,0,0,0,2|1,0,1]=4 5333 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,0,0,0,0,2|1,0,1]=4 5334 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,0,0,0,0,2|1,0,1]=4 5335 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,0,0,0,0,2|0,0,1]=3 5336 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,0,0,0,0,2|1,0,1]=4 5337 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,0,0,0,0,2|1,0,1]=4 5338 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,0,0,0,0,2|1,0,1]=4 5339 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,0,0,0,0,2|1,0,1]=4 5340 B12R1.226 O=C([O-])CSc1cc(ccn1)O 62a_100020667443_100000762945 [0,0,0,0,0,2|1,0,1]=4 5341 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,0,0,0,0,2|1,0,1]=4 5342 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,0,0,0,0,2|1,0,1]=4 5343 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,0,0,0,0,2|1,0,1]=4 5344 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,0,0,0,0,2|1,0,1]=4 5345 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,0,0,0,0,2|1,0,1]=4 5346 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,0,0,0,0,2|1,0,1]=4 5347 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,0,0,0,0,2|0,0,1]=3 5348 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,0,0,0,0,2|0,1,1]=4 5349 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,0,0,0,0,2|0,1,1]=4 5350 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100000754920_100020667443 [0,0,0,0,0,2|1,0,1]=4 5351 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100020667443_100000754920 [0,0,0,0,0,2|1,0,1]=4 5352 B12R1.226 O=[N+]([O-])CNc1cccc(c1)O 34a_100000210217_100000761209 [0,0,0,0,0,2|1,0,1]=4 5353 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,0,0,0,0,2|2,0,0]=4 5354 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,0,0,0,0,2|2,0,0]=4 5355 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,0,0,0,0,2|2,0,0]=4 5356 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,0,0,0,0,2|1,0,0]=3 5357 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,0,0,0,0,2|2,0,0]=4 5358 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,0,0,0,0,2|2,0,0]=4 5359 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,0,0,0,0,2|2,0,0]=4 5360 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,0,0,0,0,2|2,0,0]=4 5361 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,0,0,0,0,2|2,0,0]=4 5362 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,0,0,0,0,2|2,0,0]=4 5363 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,0,0,0,0,2|2,0,0]=4 5364 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,0,0,0,0,2|2,0,0]=4 5365 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,0,0,0,0,2|1,0,0]=3 5366 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,0,0,0,0,2|2,0,0]=4 5367 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,0,0,0,0,2|2,0,0]=4 5368 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,0,0,0,0,2|2,0,0]=4 5369 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,0,0,0,0,2|2,0,0]=4