0 B9R1.69 Cc1cc(=O)[nH]nc1O 271570a_203496583355_100000081757 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.69 Nc1[nH]c(=O)ccc1O 271570a_203496583355_100009884077 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 Nc1ccc([nH]c1=S)O 271570a_203496583355_100116329207 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.69 Nc1nc(=O)[nH]cc1O 271570a_203496583355_100000050048 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.69 Nc1ncc([nH]c1=O)O 271570a_203496583355_100009840296 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 Nc1ncc(c(=O)[nH]1)O 271570a_203496583355_100012456729 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.69 O=c1[nH]c(ncc1O)O 271570a_203496583355_100011215686 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.69 O=c1[nH]nc(c(=O)[nH]1)O 271570a_203496583355_100000181694 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.69 O=c1cc(c(c[nH]1)F)O 271570a_203496583355_100009817642 [0,0,0,0,0,0|1,1,1]=3 10 B9R1.69 O=c1cc(c(c[nH]1)O)F 271570a_203496583355_100015631685 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [1,0,0,0,0,0|0,0,2]=3 18 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [1,0,0,0,0,0|2,1,0]=4 23 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_200009866310 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.22 Cc1nc(=O)c(c([nH]1)O)F 271570a_203496583355_100010274585 [0,1,0,0,0,0|1,1,1]=4 25 B10R1.22 Cc1nc([nH]c(=O)c1O)O 271570a_203496583355_100000187651 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.22 Cn1c(cc(=O)[nH]c1=O)O 271570a_203496583355_100000093302 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.25 C=Cc1c[nH]c(=O)cc1F 271570a_100011290941_100015631685 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.25 C=Cc1c[nH]c(=O)nc1N 271570a_100011290941_100000050048 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.25 C=Cc1ccc(=O)[nH]c1N 271570a_100011290941_100009884077 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.25 C=Cc1cnc([nH]c1=O)C 271570a_100011290941_100011999157 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.25 C=Cc1cnc([nH]c1=O)N 271570a_100011290941_100012456729 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.25 C=Cc1cnc([nH]c1=O)O 271570a_100011290941_100011215686 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.25 C=Cc1n[nH]c(=O)[nH]c1=O 271570a_100011290941_100000181694 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.25 CNc1n[nH]c(=O)[nH]c1=O 27a_100102657272_100000181694 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_100015631685_200000210301 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_200000210301_100015631685 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.25 CSc1ccc(=O)[nH]c1N 62a_100009884077_200000210301 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.25 CSc1cnc(=O)[nH]c1N 62a_100000708077_200000210301 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.25 CSc1cnc(=O)[nH]c1N 62a_200000210301_100000708077 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.25 CSc1cnc([nH]c1=O)C 62a_100011999157_200000210301 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.25 CSc1cnc([nH]c1=O)C 62a_200000210301_100011999157 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.25 CSc1cnc([nH]c1=O)N 62a_100012456729_200000210301 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.25 CSc1cnc([nH]c1=O)O 62a_200000210301_100011215686 [0,1,0,0,0,0|1,0,2]=4 45 B10R1.25 CSc1n[nH]c(=O)[nH]c1=O 62a_200000210301_100000181694 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.25 Cc1ncc(c(=O)[nH]1)S[13CH3] 62a_100011999157_200025704644 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.25 Cc1ncc(c(=O)[nH]1)S[13CH3] 62a_200025704644_100011999157 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_100015631685_200025704644 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_200025704644_100015631685 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.25 [13CH3]Sc1ccc(=O)[nH]c1N 62a_100009884077_200025704644 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.25 [13CH3]Sc1cnc(=O)[nH]c1N 62a_100000708077_200025704644 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.25 [13CH3]Sc1cnc(=O)[nH]c1N 62a_200025704644_100000708077 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.25 [13CH3]Sc1cnc([nH]c1=O)N 62a_100012456729_200025704644 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.25 [13CH3]Sc1cnc([nH]c1=O)O 62a_200025704644_100011215686 [0,1,0,0,0,0|1,0,2]=4 55 B10R1.25 [13CH3]Sc1n[nH]c(=O)[nH]c1=O 62a_200025704644_100000181694 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.30 C=Cc1cc(=O)[nH]cc1F 271570a_100011290941_100009817642 [0,1,0,0,0,0|2,1,0]=4 57 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [0,1,0,0,0,0|1,1,1]=4 58 B10R1.30 CSc1cc(=O)[nH]cc1F 62a_100009817642_200000210301 [0,1,0,0,0,0|1,2,0]=4 59 B10R1.30 CSc1cc(=O)[nH]cc1F 62a_200000210301_100009817642 [0,1,0,0,0,0|1,2,0]=4 60 B10R1.30 N#Cc1[nH]c(=O)ccc1O 271570a_203496583355_100010559384 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [0,1,0,0,0,0|1,1,1]=4 62 B10R1.30 [13CH3]Sc1cc(=O)[nH]cc1F 62a_100009817642_200025704644 [0,1,0,0,0,0|1,2,0]=4 63 B10R1.30 [13CH3]Sc1cc(=O)[nH]cc1F 62a_200025704644_100009817642 [0,1,0,0,0,0|1,2,0]=4 64 B10R1.118 Cc1[nH]c(=O)c(cc1O)N 271570a_203496583355_100010126670 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.118 Cc1cc(c(=O)[nH]c1C)O 271570a_203496583355_100010064231 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.118 Cn1cc(c(=O)[nH]c1=O)O 271570a_203496583355_100000185368 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.119 Cc1c(c[nH]c(=O)c1N)O 271570a_203496583355_100010163742 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.119 Cn1c(ncc(c1=O)O)Cl 271570a_203496583355_102125712900 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,0,1,0,0,0|2,0,1]=4 70 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,0,1,0,0,0|3,0,0]=4 72 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,0,0,0,1,0|2,0,1]=4 73 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,1,0,0,0|1,0,1]=4 76 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,0,1,0,0,0|1,0,0]=3 77 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,0,1,0,0,0|2,0,0]=4 78 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000189765_100011215815 [0,1,1,0,0,0|2,0,0]=4 79 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000211141_100000070787 [0,1,1,0,0,0|2,0,0]=4 80 B9R0.79 C=C(C)C(=O)C(C)C(=O)N 1458a_100000185857_100000702099 [0,1,1,0,0,0|2,0,0]=4 81 B9R0.79 C=C(C)C(=O)C(F)C(=O)N 1458a_100000185857_100009813875 [0,1,1,0,0,0|2,0,0]=4 82 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.1 C=Cc1cnc(=O)[nH]c1 271570a_100011290941_102495366499 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [1,1,0,0,0,0|1,0,1]=4 93 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [1,1,0,0,0,0|1,0,1]=4 94 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [1,1,0,0,0,0|1,0,1]=4 100 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [1,1,0,0,0,0|1,1,0]=4 102 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [1,1,0,0,0,0|1,1,0]=4 103 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [1,1,0,0,0,0|1,1,0]=4 104 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [1,1,0,0,0,0|0,1,1]=4 105 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [1,1,0,0,0,0|1,1,0]=4 106 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [1,1,0,0,0,0|1,0,1]=4 107 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [1,1,0,0,0,0|1,0,1]=4 108 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [1,1,0,0,0,0|1,1,0]=4 109 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [1,1,0,0,0,0|1,1,0]=4 110 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [1,1,0,0,0,0|1,1,0]=4 111 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [1,1,0,0,0,0|0,1,1]=4 112 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [1,1,0,0,0,0|1,1,0]=4 113 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [1,1,0,0,0,0|1,0,1]=4 114 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [1,1,0,0,0,0|1,0,1]=4 115 B9R1.34 O=c1cc([nH]c(=O)[nH]1)O 271570a_203496583355_100000015670 [1,1,0,0,0,0|0,0,0]=2 116 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.8 C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100011290941_200009866310 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.8 CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100102657272_200009866310 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.8 CSc1[nH]c(=O)[nH]c(=O)c1C 62a_200000210301_200009866310 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.8 Cc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_200009866310 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.32 Cn1c(c(c(=O)[nH]c1=O)O)N 271570a_203496583355_100000184672 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.32 Cn1cc(c(=O)n(c1=O)C)O 271570a_203496583355_100011218054 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.32 Cn1nc(c(=O)n(c1=O)C)O 271570a_203496583355_100000195409 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.464 CCc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_100000080397 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.464 CSc1c([nH]c(=O)[nH]c1=O)N 62a_200000210301_100009998185 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.464 [13CH3]Sc1c([nH]c(=O)[nH]c1=O)N 62a_200025704644_100009998185 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.81 C=C=Cc1n[nH]c(=O)[nH]c1=O 271570a_100015277604_100000181694 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.81 CC=Cc1n[nH]c(=O)[nH]c1=O 271570a_100016259895_100000181694 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.81 CCNc1n[nH]c(=O)[nH]c1=O 27a_100015525214_100000181694 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.81 CCSc1n[nH]c(=O)[nH]c1=O 62a_100000210202_100000181694 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 2230a_106832991635_100000035367 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 7a_106832991635_100000035367 [0,2,0,0,0,0|1,0,0]=3 138 B11R1.81 CSCc1c[nH]c(=O)[nH]c1=O 62a_200000210301_100000035367 [0,2,0,0,0,0|1,0,0]=3 139 B11R1.81 O=c1[nH]nc(c(=O)[nH]1)SCF 62a_100015361967_100000181694 [0,2,0,0,0,0|1,1,0]=4 140 B11R1.81 [13CH3]SCc1c[nH]c(=O)[nH]c1=O 62a_200025704644_100000035367 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.166 C=C(C)c1n[nH]c(=O)[nH]c1=O 271570a_100000694244_100000181694 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.166 CN(C)c1n[nH]c(=O)[nH]c1=O 27a_100102631434_100000181694 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.277 C=Cc1cn(c(=O)[nH]c1=O)C 271570a_100011290941_100000185368 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.277 CNc1cn(c(=O)[nH]c1=O)C 27a_100102657272_100000185368 [0,2,0,0,0,0|1,0,0]=3 145 B11R1.277 CSc1cn(c(=O)[nH]c1=O)C 62a_100000185368_200000210301 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.277 CSc1cn(c(=O)[nH]c1=O)C 62a_200000210301_100000185368 [0,2,0,0,0,0|1,0,0]=3 147 B11R1.277 Cn1cc(c(=O)[nH]c1=O)S[13CH3] 62a_100000185368_200025704644 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.277 Cn1cc(c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_100000185368 [0,2,0,0,0,0|1,0,0]=3 149 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,0,1,0,0,1|2,0,0]=4 150 B9R0.53 C=C(F)CC(=O)CC(=O)N 1458a_100134613110_100009893438 [0,0,1,0,0,1|1,1,0]=4 151 B9R0.53 CC(=CC(=O)CC(=O)N)I 1458a_100025716642_100000187820 [0,0,1,0,0,1|1,0,1]=4 152 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,0,1,0,0,1|1,0,1]=4