0 B9R1.69 Cc1cc(=O)[nH]nc1O 271570a_203496583355_100000081757 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 Cc1cc(c(cn1)C)O 271570a_203496583355_100009862788 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1ccc(c(n1)O)C 271570a_203496583355_100009854376 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.69 Cc1ccc(nc1N)O 271570a_203496583355_100009857032 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.69 Cc1ccc(nc1O)N 271570a_203496583355_100000126722 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.69 Cc1cnc(cc1F)O 271570a_203496583355_100009841206 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.69 Cc1cnc(cc1N)O 271570a_203496583355_100000690170 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.69 Cc1cnc(cc1O)Br 271570a_203496583355_100010067628 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.69 Cc1cnc(cc1O)Cl 271570a_203496583355_100010068021 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.69 Cc1cnc(cc1O)F 271570a_203496583355_100000049870 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.69 Cc1cnc(cc1O)N 271570a_203496583355_100009819938 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100000704368 [0,0,0,0,0,0|1,0,3]=4 26 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100009831917 [0,0,0,0,0,0|1,0,3]=4 27 B9R1.69 Cc1cnc(nc1N)O 271570a_203496583355_100011996698 [0,0,0,0,0,0|1,0,3]=4 28 B9R1.69 Cc1cnc(nc1O)N 271570a_203496583355_100000016107 [0,0,0,0,0,0|1,0,3]=4 29 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.69 Cn1ccc(cc1=O)O 271570a_203496583355_100009820031 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.69 Cn1cnc(cc1=O)O 271570a_203496583355_100012179353 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.69 Nc1[nH]c(=O)ccc1O 271570a_203496583355_100009884077 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.69 Nc1ccc([nH]c1=S)O 271570a_203496583355_100116329207 [0,0,0,0,0,0|2,1,1]=4 34 B9R1.69 Nc1nc(=O)[nH]cc1O 271570a_203496583355_100000050048 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.69 Nc1ncc([nH]c1=O)O 271570a_203496583355_100009840296 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.69 Nc1ncc(c(=O)[nH]1)O 271570a_203496583355_100012456729 [0,0,0,0,0,0|2,0,1]=3 37 B9R1.69 O=c1[nH]c(ncc1O)O 271570a_203496583355_100011215686 [0,0,0,0,0,0|1,0,2]=3 38 B9R1.69 O=c1[nH]nc(c(=O)[nH]1)O 271570a_203496583355_100000181694 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.69 O=c1cc(c(c[nH]1)F)O 271570a_203496583355_100009817642 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.69 O=c1cc(c(c[nH]1)O)F 271570a_203496583355_100015631685 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [1,0,0,0,0,0|0,0,3]=4 44 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [1,0,0,0,0,0|1,0,2]=4 54 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [1,0,0,0,0,0|0,0,3]=4 55 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [1,0,0,0,0,0|2,1,0]=4 60 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_200009866310 [0,1,0,0,0,0|0,0,0]=1 61 B10R1.22 Cc1nc(=O)c(c([nH]1)O)F 271570a_203496583355_100010274585 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.22 Cc1nc([nH]c(=O)c1O)O 271570a_203496583355_100000187651 [0,1,0,0,0,0|1,0,2]=4 63 B10R1.22 Cn1c(=O)cc([nH]c1=O)O 271570a_203496583355_100000723047 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.22 Cn1c(cc(=O)[nH]c1=O)O 271570a_203496583355_100000093302 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.25 C=Cc1c[nH]c(=O)cc1F 271570a_100011290941_100015631685 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.25 C=Cc1c[nH]c(=O)nc1N 271570a_100011290941_100000050048 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.25 C=Cc1ccc(=O)[nH]c1N 271570a_100011290941_100009884077 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.25 C=Cc1cnc([nH]c1=O)C 271570a_100011290941_100011999157 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.25 C=Cc1cnc([nH]c1=O)N 271570a_100011290941_100012456729 [0,1,0,0,0,0|1,0,2]=4 70 B10R1.25 C=Cc1cnc([nH]c1=O)O 271570a_100011290941_100011215686 [0,1,0,0,0,0|0,0,3]=4 71 B10R1.25 C=Cc1n[nH]c(=O)[nH]c1=O 271570a_100011290941_100000181694 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,1,0,0,0,0|1,0,2]=4 74 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,1,0,0,0,0|1,0,2]=4 76 B10R1.25 CNc1n[nH]c(=O)[nH]c1=O 27a_100102657272_100000181694 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [0,1,0,0,0,0|1,0,1]=3 78 B10R1.25 COc1coc(cc1=O)C 34a_100000081520_200000210301 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,1,0,0,0,0|1,0,2]=4 81 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_100015631685_200000210301 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.25 CSc1c[nH]c(=O)cc1F 62a_200000210301_100015631685 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.25 CSc1ccc(=O)[nH]c1N 62a_100009884077_200000210301 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.25 CSc1cnc(=O)[nH]c1N 62a_100000708077_200000210301 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.25 CSc1cnc(=O)[nH]c1N 62a_200000210301_100000708077 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.25 CSc1cnc([nH]c1=O)C 62a_100011999157_200000210301 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.25 CSc1cnc([nH]c1=O)C 62a_200000210301_100011999157 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.25 CSc1cnc([nH]c1=O)N 62a_100012456729_200000210301 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.25 CSc1cnc([nH]c1=O)O 62a_200000210301_100011215686 [0,1,0,0,0,0|0,0,2]=3 90 B10R1.25 CSc1n[nH]c(=O)[nH]c1=O 62a_200000210301_100000181694 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.25 CSc1n[nH]c(=O)cc1C 62a_200000210301_100000081757 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.25 Cc1cc(=O)[nH]nc1S[13CH3] 62a_200025704644_100000081757 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.25 Cc1cc(=O)c(co1)O[13CH3] 34a_100000081520_200025704644 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.25 Cc1ncc(c(=O)[nH]1)S[13CH3] 62a_100011999157_200025704644 [0,1,0,0,0,0|1,0,1]=3 95 B10R1.25 Cc1ncc(c(=O)[nH]1)S[13CH3] 62a_200025704644_100011999157 [0,1,0,0,0,0|1,0,1]=3 96 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,1,0,0,0,0|1,0,2]=4 97 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,1,0,0,0,0|1,0,2]=4 98 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,1,0,0,0,0|1,0,2]=4 99 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,1,0,0,0,0|1,0,2]=4 100 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_100015631685_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.25 [13CH3]Sc1c[nH]c(=O)cc1F 62a_200025704644_100015631685 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.25 [13CH3]Sc1ccc(=O)[nH]c1N 62a_100009884077_200025704644 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.25 [13CH3]Sc1cnc(=O)[nH]c1N 62a_100000708077_200025704644 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.25 [13CH3]Sc1cnc(=O)[nH]c1N 62a_200025704644_100000708077 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.25 [13CH3]Sc1cnc([nH]c1=O)N 62a_100012456729_200025704644 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.25 [13CH3]Sc1cnc([nH]c1=O)O 62a_200025704644_100011215686 [0,1,0,0,0,0|0,0,2]=3 107 B10R1.25 [13CH3]Sc1n[nH]c(=O)[nH]c1=O 62a_200025704644_100000181694 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.30 C=Cc1cc(=O)[nH]cc1F 271570a_100011290941_100009817642 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.30 CSc1cc(=O)[nH]cc1F 62a_100009817642_200000210301 [0,1,0,0,0,0|2,1,0]=4 111 B10R1.30 CSc1cc(=O)[nH]cc1F 62a_200000210301_100009817642 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.30 N#Cc1[nH]c(=O)ccc1O 271570a_203496583355_100010559384 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.30 [13CH3]Sc1cc(=O)[nH]cc1F 62a_100009817642_200025704644 [0,1,0,0,0,0|2,1,0]=4 116 B10R1.30 [13CH3]Sc1cc(=O)[nH]cc1F 62a_200025704644_100009817642 [0,1,0,0,0,0|2,1,0]=4 117 B10R1.118 Cc1[nH]c(=O)c(cc1O)N 271570a_203496583355_100010126670 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.118 Cc1cc(c(=O)[nH]c1C)O 271570a_203496583355_100010064231 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.118 Cn1cc(c(=O)[nH]c1=O)O 271570a_203496583355_100000185368 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.119 Cc1c(c[nH]c(=O)c1N)O 271570a_203496583355_100010163742 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.119 Cn1c(ncc(c1=O)O)Cl 271570a_203496583355_102125712900 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [0,0,1,0,0,0|3,0,0]=4 125 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [0,0,1,0,0,0|3,0,0]=4 127 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,0,1,0,0,0|3,0,0]=4 133 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,1,0,0,0|2,0,1]=4 136 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,0,1,0,0,0|3,0,0]=4 141 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,0,1,0,0,0|3,0,0]=4 142 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,0,1,0,0,0|2,0,1]=4 144 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,0,1,0,0,0|2,0,1]=4 145 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,0,1,0,0,0|2,0,1]=4 146 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,0,1,0,0,0|2,0,1]=4 147 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,0,1,0,0,0|2,0,1]=4 152 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,0,1,0,0,0|1,0,2]=4 153 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,0,1,0,0,0|3,0,0]=4 154 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,0,1,0,0,0|1,0,2]=4 155 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,0,1,0,0,0|2,0,1]=4 156 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,0,1,0,0,0|1,0,0]=2 157 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,0,1,0,0,0|2,0,0]=3 158 B8R0.23 C=C(C)C(=O)C[N+](=O)[O-] 1458a_100000185857_100000761209 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,0,1,0,0,0|2,0,1]=4 160 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,0,1,0,0,0|2,0,1]=4 161 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,0,1,0,0,0|3,0,0]=4 162 B8R0.23 C=C(F)CC(=O)C(=C)C 1458a_100000185857_100009893438 [0,0,1,0,0,0|3,0,0]=4 163 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,1,0,0,0|3,0,0]=4 164 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,0,1,0,0,0|1,0,2]=4 165 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,0,1,0,0,0|1,0,2]=4 166 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,0,1,0,0,0|2,0,1]=4 169 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,0,1,0,0,0|2,0,1]=4 170 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,0,1,0,0,0|2,0,1]=4 171 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,0,0,0,1,0|2,0,1]=4 173 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,0,0,0,1,0|1,0,1]=3 174 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,0,0,0,1,0|2,0,1]=4 175 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,0,0,0,1,0|2,0,1]=4 176 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,1,0,0,0|2,0,0]=4 177 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,1,0,0,0|2,0,0]=4 178 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,1,0,0,0|1,0,1]=4 179 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 180 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 181 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,0,1,0,0,0|2,0,0]=4 183 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,1,0,0,0|1,0,1]=4 184 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,1,0,0,0|1,0,1]=4 185 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,0,1,0,0,0|2,0,0]=4 186 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,1,0,0,0|1,0,1]=4 187 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [1,0,1,0,0,0|2,0,0]=4 188 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [1,0,1,0,0,0|2,0,0]=4 189 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,1,0,0,0|1,0,1]=4 191 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,0,1,0,0,0|1,0,1]=4 192 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,0,1,0,0,0|1,0,1]=4 193 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,0,1,0,0,0|1,0,1]=4 194 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,0,1,0,0,0|1,0,1]=4 195 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,1,0,0,0|1,0,1]=4 196 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,1,0,0,0|1,0,1]=4 197 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,1,0,0,0|0,0,1]=3 198 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,1,0,0,0|0,0,1]=3 205 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,0,1,0,0,0|1,0,0]=3 206 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,1,0,0,0|1,0,1]=4 208 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,1,0,0,0|1,0,1]=4 209 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,0,1,0,0,0|2,0,0]=4 211 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,0,1,0,0,0|2,0,0]=4 212 B9R0.4 C/C=C/CC(=O)CC(=O)N 1458a_100134613110_100102629194 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100121576822_100000187820 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100134613110_100000070051 [0,1,1,0,0,0|2,0,0]=4 215 B9R0.4 CC=CCC(=O)CC(=O)[O-] 1458a_100121576822_100020667443 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [0,1,1,0,0,0|2,0,0]=4 218 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [0,1,1,0,0,0|2,0,0]=4 219 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,1,1,0,0,0|2,0,0]=4 220 B9R0.23 C/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100020587367_100020667443 [0,1,1,0,0,0|2,0,0]=4 221 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000189765_100011215815 [0,1,1,0,0,0|2,0,0]=4 222 B9R0.7 CC(=O)NNC(=O)C(=O)N 22a_100000211141_100000070787 [0,1,1,0,0,0|2,0,0]=4 223 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,1,1,0,0,0|2,0,0]=4 224 B9R0.57 C=C(C)C(=O)CS(=O)(=O)N 1458a_100000185857_100000741382 [0,1,1,0,0,0|2,0,0]=4 225 B9R0.57 C=C(C)C(=O)NS(=O)(=O)C 2740a_100000171171_100000185857 [0,1,1,0,0,0|2,0,0]=4 226 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,1,1,0,0,0|2,0,0]=4 227 B9R0.79 C=C(C)C(=O)C(C)C(=O)N 1458a_100000185857_100000702099 [0,1,1,0,0,0|1,0,0]=3 228 B9R0.79 C=C(C)C(=O)C(F)C(=O)N 1458a_100000185857_100009813875 [0,1,1,0,0,0|1,0,0]=3 229 B9R0.79 C=C(C)C(=O)C(F)C(=O)[O-] 1458a_100000185857_100020610796 [0,1,1,0,0,0|2,0,0]=4 230 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.1 C=Cc1cnc(=O)[nH]c1 271570a_100011290941_102495366499 [1,1,0,0,0,0|0,0,2]=4 232 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [1,1,0,0,0,0|1,0,0]=3 235 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [1,1,0,0,0,0|0,0,1]=3 238 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [1,1,0,0,0,0|0,0,1]=3 239 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [1,1,0,0,0,0|0,0,1]=3 245 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [1,1,0,0,0,0|0,0,1]=3 246 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [1,1,0,0,0,0|1,0,1]=4 248 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [1,1,0,0,0,0|1,0,1]=4 252 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [1,1,0,0,0,0|1,0,1]=4 253 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [1,1,0,0,0,0|1,1,0]=4 254 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [1,1,0,0,0,0|1,1,0]=4 255 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [1,1,0,0,0,0|1,1,0]=4 256 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [1,1,0,0,0,0|0,1,1]=4 257 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [1,1,0,0,0,0|1,1,0]=4 258 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [1,1,0,0,0,0|1,0,1]=4 259 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [1,1,0,0,0,0|1,0,1]=4 260 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [1,1,0,0,0,0|1,1,0]=4 261 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [1,1,0,0,0,0|1,1,0]=4 262 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [1,1,0,0,0,0|1,1,0]=4 263 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [1,1,0,0,0,0|0,1,1]=4 264 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [1,1,0,0,0,0|1,1,0]=4 265 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.34 O=c1cc([nH]c(=O)[nH]1)O 271570a_203496583355_100000015670 [1,1,0,0,0,0|0,0,0]=2 268 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [1,1,0,0,0,0|1,0,1]=4 270 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [1,1,0,0,0,0|1,1,0]=4 277 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [1,1,0,0,0,0|1,1,0]=4 278 B9R1.15 CSc1ccn[nH]c1=O 62a_200000210301_100000087129 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [1,1,0,0,0,0|1,1,0]=4 286 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [1,1,0,0,0,0|1,1,0]=4 287 B9R1.15 [13CH3]Sc1ccn[nH]c1=O 62a_200025704644_100000087129 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,1,0,0,1,0|0,0,2]=4 290 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,1,0,0,1,0|1,0,1]=4 291 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,1,0,0,1,0|0,0,2]=4 292 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [0,1,0,0,1,0|1,0,1]=4 293 B9R1.27 C=Cc1c([nH][nH]c1=O)C 271570a_100011290941_100000686169 [0,1,0,0,1,0|2,0,0]=4 294 B11R1.8 C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100011290941_200009866310 [0,2,0,0,0,0|0,0,0]=2 295 B11R1.8 C=Cc1cc(=O)[nH]c(=O)n1C 271570a_100011290941_100000093302 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.8 CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100102657272_200009866310 [0,2,0,0,0,0|0,0,0]=2 297 B11R1.8 CNc1cc(=O)[nH]c(=O)n1C 27a_100102657272_100000093302 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.8 COc1cc(=O)[nH]c(c1C)C 34a_200000102741_200000210301 [0,2,0,0,0,0|1,0,1]=4 299 B11R1.8 COc1cc(=O)[nH]c(c1C)C 7a_200000102741_200000210301 [0,2,0,0,0,0|1,0,1]=4 300 B11R1.8 COc1cc([nH]c(=O)c1C)C 34a_200000102746_200000210301 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.8 CSc1[nH]c(=O)[nH]c(=O)c1C 62a_200000210301_200009866310 [0,2,0,0,0,0|0,0,0]=2 302 B11R1.8 CSc1cc(=O)[nH]c(=O)n1C 62a_200000210301_100000093302 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.8 Cc1[nH]c(=O)cc(c1C)O[13CH3] 34a_200000102741_200025704644 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.8 Cc1[nH]c(=O)cc(c1C)O[13CH3] 7a_200000102741_200025704644 [0,2,0,0,0,0|1,0,1]=4 305 B11R1.8 Cc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_200009866310 [0,2,0,0,0,0|0,0,0]=2 306 B11R1.8 Cc1cc(c(c(=O)[nH]1)C)O[13CH3] 34a_200000102746_200025704644 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.8 Cn1c(cc(=O)[nH]c1=O)S[13CH3] 62a_200025704644_100000093302 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.32 Cn1c(c(c(=O)[nH]c1=O)O)N 271570a_203496583355_100000184672 [0,2,0,0,0,0|1,0,0]=3 309 B11R1.32 Cn1c(cc(=O)n(c1=O)C)O 271570a_203496583355_100000034780 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.32 Cn1cc(c(=O)n(c1=O)C)O 271570a_203496583355_100011218054 [0,2,0,0,0,0|1,0,0]=3 311 B11R1.32 Cn1nc(c(=O)n(c1=O)C)O 271570a_203496583355_100000195409 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.464 CCc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_100000080397 [0,2,0,0,0,0|0,0,0]=2 313 B11R1.464 CNc1c(nc([nH]c1=O)O)C 27a_100102657272_100000187651 [0,2,0,0,0,0|0,0,2]=4 314 B11R1.464 CSc1c([nH]c(=O)[nH]c1=O)N 62a_200000210301_100009998185 [0,2,0,0,0,0|0,0,0]=2 315 B11R1.464 CSc1c(nc([nH]c1=O)C)O 62a_200000210301_100012339546 [0,2,0,0,0,0|1,0,1]=4 316 B11R1.464 CSc1c(nc([nH]c1=O)O)C 62a_200000210301_100000187651 [0,2,0,0,0,0|0,0,2]=4 317 B11R1.464 Cc1nc([nH]c(=O)c1S[13CH3])O 62a_200025704644_100000187651 [0,2,0,0,0,0|0,0,2]=4 318 B11R1.464 Cc1nc(c(c(=O)[nH]1)S[13CH3])O 62a_200025704644_100012339546 [0,2,0,0,0,0|1,0,1]=4 319 B11R1.464 [13CH3]Sc1c([nH]c(=O)[nH]c1=O)N 62a_200025704644_100009998185 [0,2,0,0,0,0|0,0,0]=2 320 B11R1.37 C=Cc1cc(=O)[nH]cc1OC 271570a_100011290941_100121573661 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_100121573661_200000210301 [0,2,0,0,0,0|1,1,0]=4 322 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_200000210301_100121573661 [0,2,0,0,0,0|1,1,0]=4 323 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_100121573661_200025704644 [0,2,0,0,0,0|1,1,0]=4 324 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_200025704644_100121573661 [0,2,0,0,0,0|1,1,0]=4 325 B11R1.37 CSc1ccc(=O)[nH]c1C#N 62a_200000210301_100010559384 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.37 [13CH3]Sc1ccc(=O)[nH]c1C#N 62a_200025704644_100010559384 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.81 C=C=Cc1n[nH]c(=O)[nH]c1=O 271570a_100015277604_100000181694 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.81 CC=Cc1c[nH]c(=O)cc1F 271570a_100016259895_100015631685 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.81 CC=Cc1c[nH]c(=O)nc1N 271570a_100016259895_100000050048 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.81 CC=Cc1ccc(=O)[nH]c1N 271570a_100016259895_100009884077 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.81 CC=Cc1cnc([nH]c1=O)C 271570a_100016259895_100011999157 [0,2,0,0,0,0|1,0,1]=4 332 B11R1.81 CC=Cc1cnc([nH]c1=O)N 271570a_100016259895_100012456729 [0,2,0,0,0,0|1,0,1]=4 333 B11R1.81 CC=Cc1cnc([nH]c1=O)O 271570a_100016259895_100011215686 [0,2,0,0,0,0|0,0,2]=4 334 B11R1.81 CC=Cc1n[nH]c(=O)[nH]c1=O 271570a_100016259895_100000181694 [0,2,0,0,0,0|1,0,0]=3 335 B11R1.81 CCNc1n[nH]c(=O)[nH]c1=O 27a_100015525214_100000181694 [0,2,0,0,0,0|1,0,0]=3 336 B11R1.81 CCSc1c[nH]c(=O)cc1F 62a_100000210202_100015631685 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.81 CCSc1c[nH]c(=O)cc1F 62a_100015631685_100000210202 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.81 CCSc1ccc(=O)[nH]c1N 62a_100009884077_100000210202 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.81 CCSc1cnc(=O)[nH]c1N 62a_100000210202_100000708077 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.81 CCSc1cnc(=O)[nH]c1N 62a_100000708077_100000210202 [0,2,0,0,0,0|1,0,1]=4 341 B11R1.81 CCSc1cnc([nH]c1=O)C 62a_100000210202_100011999157 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.81 CCSc1cnc([nH]c1=O)C 62a_100011999157_100000210202 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.81 CCSc1cnc([nH]c1=O)N 62a_100012456729_100000210202 [0,2,0,0,0,0|1,0,1]=4 344 B11R1.81 CCSc1cnc([nH]c1=O)O 62a_100000210202_100011215686 [0,2,0,0,0,0|0,0,2]=4 345 B11R1.81 CCSc1n[nH]c(=O)[nH]c1=O 62a_100000210202_100000181694 [0,2,0,0,0,0|1,0,0]=3 346 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 2230a_106832991635_100000035367 [0,2,0,0,0,0|0,0,0]=2 347 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 7a_106832991635_100000035367 [0,2,0,0,0,0|0,0,0]=2 348 B11R1.81 CSCc1c[nH]c(=O)[nH]c1=O 62a_200000210301_100000035367 [0,2,0,0,0,0|0,0,0]=2 349 B11R1.81 Cc1ncc(c(=O)[nH]1)SCF 62a_100011999157_100015361967 [0,2,0,0,0,0|1,0,1]=4 350 B11R1.81 Cc1ncc(c(=O)[nH]1)SCF 62a_100015361967_100011999157 [0,2,0,0,0,0|1,0,1]=4 351 B11R1.81 Nc1[nH]c(=O)ccc1SCF 62a_100009884077_100015361967 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.81 Nc1[nH]c(=O)ncc1SCF 62a_100000708077_100015361967 [0,2,0,0,0,0|1,0,1]=4 353 B11R1.81 Nc1[nH]c(=O)ncc1SCF 62a_100015361967_100000708077 [0,2,0,0,0,0|1,0,1]=4 354 B11R1.81 Nc1ncc(c(=O)[nH]1)SCF 62a_100012456729_100015361967 [0,2,0,0,0,0|1,0,1]=4 355 B11R1.81 O=c1[nH]c(ncc1SCF)O 62a_100015361967_100011215686 [0,2,0,0,0,0|0,0,2]=4 356 B11R1.81 O=c1[nH]nc(c(=O)[nH]1)SCF 62a_100015361967_100000181694 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.81 O=c1cc(c(c[nH]1)SCF)F 62a_100015361967_100015631685 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.81 O=c1cc(c(c[nH]1)SCF)F 62a_100015631685_100015361967 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.81 [13CH3]SCc1c[nH]c(=O)[nH]c1=O 62a_200025704644_100000035367 [0,2,0,0,0,0|0,0,0]=2 360 B11R1.166 C=C(C)c1c[nH]c(=O)cc1F 271570a_100000694244_100015631685 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.166 C=C(C)c1c[nH]c(=O)nc1N 271570a_100000694244_100000050048 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.166 C=C(C)c1ccc(=O)[nH]c1N 271570a_100000694244_100009884077 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.166 C=C(C)c1cnc([nH]c1=O)C 271570a_100000694244_100011999157 [0,2,0,0,0,0|1,0,1]=4 364 B11R1.166 C=C(C)c1cnc([nH]c1=O)N 271570a_100000694244_100012456729 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.166 C=C(C)c1cnc([nH]c1=O)O 271570a_100000694244_100011215686 [0,2,0,0,0,0|0,0,2]=4 366 B11R1.166 C=C(C)c1n[nH]c(=O)[nH]c1=O 271570a_100000694244_100000181694 [0,2,0,0,0,0|1,0,0]=3 367 B11R1.166 CN(C)c1n[nH]c(=O)[nH]c1=O 27a_100102631434_100000181694 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.277 C=Cc1cc(c([nH]c1=O)C)C 271570a_100011290941_100010064231 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.277 C=Cc1cn(c(=O)[nH]c1=O)C 271570a_100011290941_100000185368 [0,2,0,0,0,0|0,0,1]=3 370 B11R1.277 CNc1cn(c(=O)[nH]c1=O)C 27a_100102657272_100000185368 [0,2,0,0,0,0|0,0,0]=2 371 B11R1.277 CSc1cc(c(=O)[nH]c1C)N 62a_100010126670_200000210301 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.277 CSc1cc(c(=O)[nH]c1C)N 62a_200000210301_100010126670 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.277 CSc1cc(c([nH]c1=O)C)C 62a_100010064231_200000210301 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.277 CSc1cc(c([nH]c1=O)C)C 62a_200000210301_100010064231 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.277 CSc1cn(c(=O)[nH]c1=O)C 62a_100000185368_200000210301 [0,2,0,0,0,0|0,0,0]=2 376 B11R1.277 CSc1cn(c(=O)[nH]c1=O)C 62a_200000210301_100000185368 [0,2,0,0,0,0|0,0,0]=2 377 B11R1.277 Cc1[nH]c(=O)c(cc1S[13CH3])N 62a_100010126670_200025704644 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.277 Cc1[nH]c(=O)c(cc1S[13CH3])N 62a_200025704644_100010126670 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.277 Cc1cc(c(=O)[nH]c1C)S[13CH3] 62a_100010064231_200025704644 [0,2,0,0,0,0|2,0,0]=4 380 B11R1.277 Cc1cc(c(=O)[nH]c1C)S[13CH3] 62a_200025704644_100010064231 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.277 Cn1cc(c(=O)[nH]c1=O)S[13CH3] 62a_100000185368_200025704644 [0,2,0,0,0,0|0,0,0]=2 382 B11R1.277 Cn1cc(c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_100000185368 [0,2,0,0,0,0|0,0,0]=2 383 B11R1.278 CSc1c[nH]c(=O)c(c1C)N 62a_100010163742_200000210301 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.278 CSc1c[nH]c(=O)c(c1C)N 62a_200000210301_100010163742 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.278 CSc1cnc(n(c1=O)C)Cl 62a_102125712900_200000210301 [0,2,0,0,0,0|1,0,1]=4 386 B11R1.278 CSc1cnc(n(c1=O)C)Cl 62a_200000210301_102125712900 [0,2,0,0,0,0|1,0,1]=4 387 B11R1.278 Cc1c(c[nH]c(=O)c1N)S[13CH3] 62a_100010163742_200025704644 [0,2,0,0,0,0|2,0,0]=4 388 B11R1.278 Cc1c(c[nH]c(=O)c1N)S[13CH3] 62a_200025704644_100010163742 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.278 Cn1c(ncc(c1=O)S[13CH3])Cl 62a_102125712900_200025704644 [0,2,0,0,0,0|1,0,1]=4 390 B11R1.278 Cn1c(ncc(c1=O)S[13CH3])Cl 62a_200025704644_102125712900 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,0,1,0,1,0|1,0,1]=4 392 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,0,0,0,1,0|0,0,2]=4 393 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,0,0,0,1,0|1,0,1]=4 394 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,0,1,0,0,1|2,0,0]=4 395 B9R0.1 CC(=O)NN=C/C(=C\N)/C 4a_100000189765_100050415766 [0,0,1,0,0,1|2,0,0]=4 396 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,0,1,0,0,1|1,0,0]=3 397 B9R0.53 C=C(F)CC(=O)CC(=O)N 1458a_100134613110_100009893438 [0,0,1,0,0,1|2,0,0]=4 398 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,0,1,0,0,1|1,0,1]=4 399 B9R0.53 CC(=CC(=O)CC(=O)N)Cl 1458a_200042562850_100000187820 [0,0,1,0,0,1|2,0,0]=4 400 B9R0.53 CC(=CC(=O)CC(=O)N)I 1458a_100025716642_100000187820 [0,0,1,0,0,1|2,0,0]=4 401 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,1,0,0,1|2,0,0]=4 402 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,0,1,0,0,1|1,0,0]=3 403 B9R0.53 CN(C)CC(=O)NC(=O)N 2230a_100102631434_100000182717 [0,0,1,0,0,1|1,0,1]=4 404 B9R0.53 CN(C)CC(=O)NC(=O)N 269982a_100102631434_100000182717 [0,0,1,0,0,1|1,0,1]=4