0 B14R2.4643 O=C1NS(=O)(=O)c2c1cc(cc2)O 271570a_203496583355_100000687181 [0,1,0,0,0,0|0,0,0]=1 1 B14R2.8732 O=C1NS(=O)(=O)c2c1ccc(c2)O 271570a_203496583355_100000725370 [0,1,0,0,0,0|0,0,0]=1 2 B12R1.39 CCNS(=O)(=O)c1ccccc1 270084a_100015525214_100000210345 [0,0,1,0,0,0|1,0,1]=3 3 B12R1.39 CCNS(=O)(=O)c1ccccc1 274078a_100015525214_100000210345 [0,0,1,0,0,0|1,0,1]=3 4 B12R1.39 CCNS(=O)(=O)c1ccccc1 40a_100015525214_100000032697 [0,0,1,0,0,0|1,0,1]=3 5 B12R1.39 CCNS(=O)(=O)c1ccccn1 270084a_100015525214_100016994956 [0,0,1,0,0,0|2,0,1]=4 6 B12R1.39 CCNS(=O)(=O)c1ccccn1 274078a_100015525214_100016994956 [0,0,1,0,0,0|2,0,1]=4 7 B12R1.39 CCNS(=O)(=O)c1ccccn1 40a_100015525214_100000070048 [0,0,1,0,0,0|2,0,1]=4 8 B12R1.39 CCNS(=O)(=O)c1cccnc1 270084a_100015525214_100000736704 [0,0,1,0,0,0|2,0,1]=4 9 B12R1.39 CCNS(=O)(=O)c1cccnc1 274078a_100015525214_100000736704 [0,0,1,0,0,0|2,0,1]=4 10 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.39 CNNS(=O)(=O)c1ccccc1 40a_100016993582_100000032697 [0,0,1,0,0,0|2,0,0]=3 12 B12R1.39 CNNS(=O)(=O)c1ccccn1 40a_100016993582_100000070048 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [0,0,1,0,0,0|3,0,0]=4 14 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_100000240042_200000210301 [0,0,1,0,0,0|3,0,0]=4 15 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_200000210301_100000240042 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_100000240042_200025704644 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_200025704644_100000240042 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.76 C=Cc1ccccc1S(=O)(=O)C 271570a_100011290941_100000751929 [0,0,1,0,0,0|2,0,0]=3 19 B12R1.76 C=Cc1ccccc1S(=O)(=O)N 271570a_100011290941_100000735520 [0,0,1,0,0,0|1,0,0]=2 20 B12R1.76 C=Cc1cccnc1S(=O)(=O)C 271570a_100011290941_100009830116 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.76 C=Cc1ccncc1S(=O)(=O)N 271570a_100011290941_100011216116 [0,0,1,0,0,0|2,0,0]=3 22 B12R1.76 C=Cc1cnccc1S(=O)(=O)C 271570a_100011290941_200010191168 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.76 C=Cc1ncccc1S(=O)(=O)N 271570a_100011290941_100000740416 [0,0,1,0,0,0|2,0,0]=3 24 B12R1.76 CNc1ccccc1S(=O)(=O)C 34a_100000241000_200000210301 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.76 CNc1ccccc1S(=O)(=O)C 7a_100000241000_200000210301 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.76 CNc1ccccc1S(=O)(=O)N 34a_100011204920_200000210301 [0,0,1,0,0,0|2,0,0]=3 27 B12R1.76 CNc1ccncc1S(=O)(=O)N 27a_100102657272_100011216116 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.76 CNc1ncccc1S(=O)(=O)N 27a_100102657272_100000740416 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 34a_100000241000_200025704644 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 7a_100000241000_200025704644 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_100000751929_200025704644 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_200025704644_100000751929 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_100000751929_200000210301 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_200000210301_100000751929 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.76 CSc1ccccc1S(=O)(=O)N 62a_100000164562_200000210301 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.76 CSc1ccncc1S(=O)(=O)N 62a_100011216116_200000210301 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.76 CSc1ccncc1S(=O)(=O)N 62a_200000210301_100011216116 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.76 CSc1ncccc1S(=O)(=O)N 62a_200000210301_100000740416 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.76 [13CH3]Nc1ccccc1S(=O)(=O)N 34a_100011204920_200025704644 [0,0,1,0,0,0|2,0,0]=3 44 B12R1.76 [13CH3]Sc1ccccc1S(=O)(=O)N 62a_100000164562_200025704644 [0,0,1,0,0,0|2,0,0]=3 45 B12R1.76 [13CH3]Sc1ccncc1S(=O)(=O)N 62a_100011216116_200025704644 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.76 [13CH3]Sc1ccncc1S(=O)(=O)N 62a_200025704644_100011216116 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.76 [13CH3]Sc1ncccc1S(=O)(=O)N 62a_200025704644_100000740416 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,0,1,0,0,0|2,0,1]=4 55 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,1,0,0,0|2,0,1]=4 56 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [0,0,1,0,0,0|2,0,0]=3 58 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,0,1,0,0,0|2,0,1]=4 59 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [0,0,1,0,0,0|2,0,1]=4 60 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,0,1,0,0,0|2,0,1]=4 63 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [0,0,1,0,0,0|2,0,0]=3 64 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [0,0,1,0,0,0|2,0,1]=4 65 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [1,0,1,0,0,0|0,0,1]=3 66 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [1,0,1,0,0,0|0,0,1]=3 67 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [1,0,1,0,0,0|0,0,1]=3 68 B11R1.7 CNS(=O)(=O)c1ccccn1 270084a_100102657272_100016994956 [1,0,1,0,0,0|1,0,1]=4 69 B11R1.7 CNS(=O)(=O)c1ccccn1 274078a_100102657272_100016994956 [1,0,1,0,0,0|1,0,1]=4 70 B11R1.7 CNS(=O)(=O)c1ccccn1 40a_100102657272_100000070048 [1,0,1,0,0,0|1,0,1]=4 71 B11R1.7 CNS(=O)(=O)c1cccnc1 270084a_100102657272_100000736704 [1,0,1,0,0,0|1,0,1]=4 72 B11R1.7 CNS(=O)(=O)c1cccnc1 274078a_100102657272_100000736704 [1,0,1,0,0,0|1,0,1]=4 73 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,0,1,0,0,0|1,1,0]=4 81 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,0,1,0,0,0|1,1,0]=4 82 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,0,1,0,0,0|1,0,1]=4 83 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,0,1,0,0,0|1,0,1]=4 84 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,0,1,0,0,0|1,1,0]=4 87 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,0,1,0,0,0|1,1,0]=4 88 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,0,1,0,0,0|1,0,1]=4 90 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [1,0,1,0,0,0|1,0,1]=4 91 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [1,0,1,0,0,0|0,0,1]=3 92 B11R1.87 NS(=O)(=O)c1cccnc1O 271570a_203496583355_100000740416 [1,0,1,0,0,0|1,0,1]=4 93 B11R1.87 NS(=O)(=O)c1cnccc1O 271570a_203496583355_100011216116 [1,0,1,0,0,0|1,0,1]=4 94 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br 270084a_100015525214_100000182491 [0,1,1,0,0,0|1,0,1]=4 95 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br 274078a_100015525214_100000182491 [0,1,1,0,0,0|1,0,1]=4 96 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br 40a_100015525214_100010306709 [0,1,1,0,0,0|1,0,1]=4 97 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C 270084a_100015525214_100000211267 [0,1,1,0,0,0|1,0,1]=4 98 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C 274078a_100015525214_100000211267 [0,1,1,0,0,0|1,0,1]=4 99 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C 40a_100015525214_100000039673 [0,1,1,0,0,0|1,0,1]=4 100 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl 270084a_100015525214_100000209962 [0,1,1,0,0,0|1,0,1]=4 101 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl 274078a_100015525214_100000209962 [0,1,1,0,0,0|1,0,1]=4 102 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl 40a_100015525214_100000077732 [0,1,1,0,0,0|1,0,1]=4 103 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F 270084a_100015525214_100000184267 [0,1,1,0,0,0|1,0,1]=4 104 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F 274078a_100015525214_100000184267 [0,1,1,0,0,0|1,0,1]=4 105 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F 40a_100015525214_100000081159 [0,1,1,0,0,0|1,0,1]=4 106 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)I 270084a_100015525214_100011205396 [0,1,1,0,0,0|1,0,1]=4 107 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)I 274078a_100015525214_100011205396 [0,1,1,0,0,0|1,0,1]=4 108 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)N 40a_100015525214_100000054796 [0,1,1,0,0,0|1,0,1]=4 109 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O 270084a_100015525214_100020667864 [0,1,1,0,0,0|1,0,1]=4 110 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_200000165184 [0,1,1,0,0,0|1,0,1]=4 111 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O 274078a_100015525214_100020667864 [0,1,1,0,0,0|1,0,1]=4 112 B13R1.29 CNNS(=O)(=O)c1ccc(cc1)Br 40a_100016993582_100010306709 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.29 CNNS(=O)(=O)c1ccc(cc1)C 40a_100016993582_100000039673 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.29 CNNS(=O)(=O)c1ccc(cc1)Cl 40a_100016993582_100000077732 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.29 CNNS(=O)(=O)c1ccc(cc1)F 40a_100016993582_100000081159 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.29 CNNS(=O)(=O)c1ccc(cc1)N 40a_100016993582_100000054796 [0,1,1,0,0,0|2,0,0]=4 117 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 270084a_100015525214_100000184224 [0,1,1,0,0,0|1,0,1]=4 118 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 274078a_100015525214_100000184224 [0,1,1,0,0,0|1,0,1]=4 119 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 40a_100015525214_100010340488 [0,1,1,0,0,0|1,0,1]=4 120 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 270084a_100015525214_100000182797 [0,1,1,0,0,0|1,0,1]=4 121 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 274078a_100015525214_100000182797 [0,1,1,0,0,0|1,0,1]=4 122 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 40a_100015525214_100010983817 [0,1,1,0,0,0|1,0,1]=4 123 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl 270084a_100015525214_100000182923 [0,1,1,0,0,0|1,0,1]=4 124 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl 274078a_100015525214_100000182923 [0,1,1,0,0,0|1,0,1]=4 125 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F 270084a_100015525214_100000184201 [0,1,1,0,0,0|1,0,1]=4 126 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F 274078a_100015525214_100000184201 [0,1,1,0,0,0|1,0,1]=4 127 B13R1.30 CCNS(=O)(=O)c1cccc(c1)N 40a_100015525214_100000034547 [0,1,1,0,0,0|1,0,1]=4 128 B13R1.30 CNNS(=O)(=O)c1cccc(c1)Br 40a_100016993582_100010340488 [0,1,1,0,0,0|2,0,0]=4 129 B13R1.30 CNNS(=O)(=O)c1cccc(c1)C 40a_100016993582_100010983817 [0,1,1,0,0,0|2,0,0]=4 130 B13R1.30 CNNS(=O)(=O)c1cccc(c1)N 40a_100016993582_100000034547 [0,1,1,0,0,0|2,0,0]=4 131 B13R1.122 C#CCNS(=O)(=O)c1ccccc1 274078a_100000212058_100000210345 [0,1,1,0,0,0|1,0,1]=4 132 B13R1.122 C#CCNS(=O)(=O)c1ccccc1 40a_100000212058_100000032697 [0,1,1,0,0,0|1,0,1]=4 133 B13R1.122 C=CCNS(=O)(=O)c1ccccc1 270084a_100020586998_100000210345 [0,1,1,0,0,0|1,0,0]=3 134 B13R1.122 C=CCNS(=O)(=O)c1ccccc1 274078a_100020586998_100000210345 [0,1,1,0,0,0|1,0,0]=3 135 B13R1.122 C=CCNS(=O)(=O)c1ccccc1 40a_100020586998_100000032697 [0,1,1,0,0,0|1,0,0]=3 136 B13R1.122 C=CCNS(=O)(=O)c1ccccn1 270084a_100020586998_100016994956 [0,1,1,0,0,0|2,0,0]=4 137 B13R1.122 C=CCNS(=O)(=O)c1ccccn1 274078a_100020586998_100016994956 [0,1,1,0,0,0|2,0,0]=4 138 B13R1.122 C=CCNS(=O)(=O)c1ccccn1 40a_100020586998_100000070048 [0,1,1,0,0,0|2,0,0]=4 139 B13R1.122 C=CCNS(=O)(=O)c1cccnc1 270084a_100020586998_100000736704 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.122 C=CCNS(=O)(=O)c1cccnc1 274078a_100020586998_100000736704 [0,1,1,0,0,0|2,0,0]=4 141 B13R1.122 CCCNS(=O)(=O)c1ccccc1 270084a_100020643023_100000210345 [0,1,1,0,0,0|1,0,1]=4 142 B13R1.122 CCCNS(=O)(=O)c1ccccc1 274078a_100020643023_100000210345 [0,1,1,0,0,0|1,0,1]=4 143 B13R1.122 CCCNS(=O)(=O)c1ccccc1 40a_100020643023_100000032697 [0,1,1,0,0,0|1,0,1]=4 144 B13R1.122 CCNNS(=O)(=O)c1ccccc1 40a_100000756455_100000032697 [0,1,1,0,0,0|1,0,1]=4 145 B13R1.122 N#CCNS(=O)(=O)c1ccccc1 274078a_100000734998_100000210345 [0,1,1,0,0,0|1,0,1]=4 146 B13R1.122 O=S(=O)(NCCF)c1ccccc1 270084a_100000724931_100000210345 [0,1,1,0,0,0|1,0,1]=4 147 B13R1.122 O=S(=O)(NCCF)c1ccccc1 274078a_100000724931_100000210345 [0,1,1,0,0,0|1,0,1]=4 148 B13R1.122 O=S(=O)(NCCF)c1ccccc1 40a_100000724931_100000032697 [0,1,1,0,0,0|1,0,1]=4 149 B13R1.122 O=S(=O)(NCCO)c1ccccc1 270084a_100000210304_100000210345 [0,1,1,0,0,0|0,0,2]=4 150 B13R1.122 O=S(=O)(NCCO)c1ccccc1 274078a_100000210304_100000210345 [0,1,1,0,0,0|0,0,2]=4 151 B13R1.122 O=S(=O)(NCCO)c1ccccc1 40a_100000210304_100000032697 [0,1,1,0,0,0|0,0,2]=4 152 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000070787_100000240042 [0,1,1,0,0,0|1,0,0]=3 153 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200000210301 [0,1,1,0,0,0|1,0,0]=3 154 B13R1.347 CC(=O)NS(=O)(=O)c1ccccc1 2740a_100000164509_100015343762 [0,1,1,0,0,0|0,0,0]=2 155 B13R1.347 CC(=O)NS(=O)(=O)c1ccccn1 2740a_100000756609_100015343762 [0,1,1,0,0,0|1,0,0]=3 156 B13R1.347 CC(=O)NS(=O)(=O)c1cccnc1 2740a_100000243206_100015343762 [0,1,1,0,0,0|1,0,0]=3 157 B13R1.347 CC(=O)NS(=O)(=O)c1ccncc1 2740a_100000754697_100015343762 [0,1,1,0,0,0|1,0,0]=3 158 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 270084a_100138425928_100000210345 [0,1,1,0,0,0|1,0,1]=4 159 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 274078a_100138425928_100000210345 [0,1,1,0,0,0|1,0,1]=4 160 B13R1.347 [13CH3]C(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200025704644 [0,1,1,0,0,0|1,0,0]=3 161 B13R1.708 CCN(C)S(=O)(=O)c1ccccc1 270084a_100000225621_100000210345 [0,1,1,0,0,0|1,0,1]=4 162 B13R1.708 CCN(C)S(=O)(=O)c1ccccc1 274078a_100000225621_100000210345 [0,1,1,0,0,0|1,0,1]=4 163 B13R1.708 CCN(C)S(=O)(=O)c1ccccc1 40a_100000225621_100000032697 [0,1,1,0,0,0|1,0,1]=4 164 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br 270084a_100015525214_100000184729 [0,1,1,0,0,0|1,0,1]=4 165 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br 274078a_100015525214_100000184729 [0,1,1,0,0,0|1,0,1]=4 166 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br 40a_100015525214_100010380725 [0,1,1,0,0,0|1,0,1]=4 167 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 270084a_100015525214_100000750907 [0,1,1,0,0,0|1,0,1]=4 168 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 274078a_100015525214_100000750907 [0,1,1,0,0,0|1,0,1]=4 169 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 40a_100015525214_100010269479 [0,1,1,0,0,0|1,0,1]=4 170 B13R1.2819 CCNS(=O)(=O)c1ccccc1Cl 270084a_100015525214_100000184199 [0,1,1,0,0,0|1,0,1]=4 171 B13R1.2819 CCNS(=O)(=O)c1ccccc1Cl 274078a_100015525214_100000184199 [0,1,1,0,0,0|1,0,1]=4 172 B13R1.2819 CCNS(=O)(=O)c1ccccc1F 270084a_100015525214_100000184916 [0,1,1,0,0,0|1,0,1]=4 173 B13R1.2819 CCNS(=O)(=O)c1ccccc1F 274078a_100015525214_100000184916 [0,1,1,0,0,0|1,0,1]=4 174 B13R1.2819 CCNS(=O)(=O)c1ccccc1I 270084a_100015525214_100011191325 [0,1,1,0,0,0|1,0,1]=4 175 B13R1.2819 CCNS(=O)(=O)c1ccccc1I 274078a_100015525214_100011191325 [0,1,1,0,0,0|1,0,1]=4 176 B13R1.2819 CCNS(=O)(=O)c1ccccc1N 40a_100015525214_100000703237 [0,1,1,0,0,0|1,0,1]=4 177 B13R1.2819 CCNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165236 [0,1,1,0,0,0|1,0,1]=4 178 B13R1.2819 CNNS(=O)(=O)c1ccccc1Br 40a_100016993582_100010380725 [0,1,1,0,0,0|2,0,0]=4 179 B13R1.2819 CNNS(=O)(=O)c1ccccc1C 40a_100016993582_100010269479 [0,1,1,0,0,0|2,0,0]=4 180 B13R1.2819 CNNS(=O)(=O)c1ccccc1N 40a_100016993582_100000703237 [0,1,1,0,0,0|2,0,0]=4 181 B13R1.53 C=Cc1cc(ccc1S(=O)(=O)C)F 271570a_100011290941_100010175559 [0,1,1,0,0,0|2,0,0]=4 182 B13R1.53 C=Cc1cc(ccc1S(=O)(=O)N)F 271570a_100011290941_100011218482 [0,1,1,0,0,0|1,0,0]=3 183 B13R1.53 CNc1cc(ccc1S(=O)(=O)N)F 27a_100102657272_100011218482 [0,1,1,0,0,0|2,0,0]=4 184 B13R1.53 CSc1cc(ccc1S(=O)(=O)N)F 62a_100011218482_200000210301 [0,1,1,0,0,0|2,0,0]=4 185 B13R1.53 [13CH3]Sc1cc(ccc1S(=O)(=O)N)F 62a_100011218482_200025704644 [0,1,1,0,0,0|2,0,0]=4 186 B13R1.108 C=Cc1c(cccc1S(=O)(=O)N)C 271570a_100011290941_200012348303 [0,1,1,0,0,0|1,0,0]=3 187 B13R1.108 CSc1c(cccc1S(=O)(=O)N)C 62a_200000210301_200012348303 [0,1,1,0,0,0|2,0,0]=4 188 B13R1.108 CSc1c(cccc1S(=O)(=O)N)C 62a_200012348303_200000210301 [0,1,1,0,0,0|2,0,0]=4 189 B13R1.108 Cc1cccc(c1S[13CH3])S(=O)(=O)N 62a_200012348303_200025704644 [0,1,1,0,0,0|2,0,0]=4 190 B13R1.108 Cc1cccc(c1S[13CH3])S(=O)(=O)N 62a_200025704644_200012348303 [0,1,1,0,0,0|2,0,0]=4 191 B13R1.349 C=C(C)c1ccccc1S(=O)(=O)C 271570a_100000694244_100000751929 [0,1,1,0,0,0|2,0,0]=4 192 B13R1.349 C=C(C)c1ccccc1S(=O)(=O)N 271570a_100000694244_100000735520 [0,1,1,0,0,0|1,0,0]=3 193 B13R1.349 C=C(C)c1ccncc1S(=O)(=O)N 271570a_100000694244_100011216116 [0,1,1,0,0,0|2,0,0]=4 194 B13R1.349 C=C(C)c1ncccc1S(=O)(=O)N 271570a_100000694244_100000740416 [0,1,1,0,0,0|2,0,0]=4 195 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_200000210301 [0,1,1,0,0,0|1,0,0]=3 196 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_200000210301 [0,1,1,0,0,0|0,0,0]=2 197 B13R1.349 CS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000185186_200025704644 [0,1,1,0,0,0|1,0,0]=3 198 B13R1.349 [13CH3]C(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_200025704644 [0,1,1,0,0,0|0,0,0]=2 199 B13R1.381 C=C=Cc1ccccc1S(=O)(=O)C 271570a_100015277604_100000751929 [0,1,1,0,0,0|2,0,0]=4 200 B13R1.381 C=C=Cc1ccccc1S(=O)(=O)N 271570a_100015277604_100000735520 [0,1,1,0,0,0|1,0,0]=3 201 B13R1.381 C=C=Cc1ccncc1S(=O)(=O)N 271570a_100015277604_100011216116 [0,1,1,0,0,0|2,0,0]=4 202 B13R1.381 C=C=Cc1ncccc1S(=O)(=O)N 271570a_100015277604_100000740416 [0,1,1,0,0,0|2,0,0]=4 203 B13R1.381 CC=Cc1ccccc1S(=O)(=O)C 271570a_100016259895_100000751929 [0,1,1,0,0,0|2,0,0]=4 204 B13R1.381 CC=Cc1ccccc1S(=O)(=O)N 271570a_100016259895_100000735520 [0,1,1,0,0,0|1,0,0]=3 205 B13R1.381 CC=Cc1ccncc1S(=O)(=O)N 271570a_100016259895_100011216116 [0,1,1,0,0,0|2,0,0]=4 206 B13R1.381 CC=Cc1ncccc1S(=O)(=O)N 271570a_100016259895_100000740416 [0,1,1,0,0,0|2,0,0]=4 207 B13R1.381 CCNc1ccccc1S(=O)(=O)N 34a_100011204920_100000210202 [0,1,1,0,0,0|1,0,1]=4 208 B13R1.381 CCSc1ccccc1S(=O)(=O)N 62a_100000164562_100000210202 [0,1,1,0,0,0|1,0,1]=4 209 B13R1.381 CNCc1ccccc1S(=O)(=O)N 2230a_106832991635_200137420970 [0,1,1,0,0,0|1,0,1]=4 210 B13R1.381 CNCc1ccccc1S(=O)(=O)N 34a_100102657272_200137420970 [0,1,1,0,0,0|1,0,1]=4 211 B13R1.381 CNCc1ccccc1S(=O)(=O)N 7a_106832991635_200137420970 [0,1,1,0,0,0|1,0,1]=4 212 B13R1.381 COCc1ccccc1S(=O)(=O)N 34a_100138415774_200137420970 [0,1,1,0,0,0|0,0,2]=4 213 B13R1.381 CSCc1ccccc1S(=O)(=O)N 62a_200137420970_200000210301 [0,1,1,0,0,0|0,1,1]=4 214 B13R1.381 NS(=O)(=O)c1ccccc1NCF 34a_100011204920_100015361967 [0,1,1,0,0,0|1,0,1]=4 215 B13R1.381 NS(=O)(=O)c1ccccc1SCF 62a_100000164562_100015361967 [0,1,1,0,0,0|1,0,1]=4 216 B13R1.381 [13CH3]SCc1ccccc1S(=O)(=O)N 62a_200137420970_200025704644 [0,1,1,0,0,0|0,1,1]=4 217 B13R1.2129 C=Cc1ccccc1S(=O)(=O)NC 271570a_100011290941_200000165157 [0,1,1,0,0,0|1,0,0]=3 218 B13R1.2129 C=Cc1ccccc1S(=O)(=O)NN 271570a_100011290941_200011248379 [0,1,1,0,0,0|1,0,0]=3 219 B13R1.2129 CCc1ccccc1S(=O)(=O)NC 270084a_100102657272_100000708428 [0,1,1,0,0,0|1,0,1]=4 220 B13R1.2129 CCc1ccccc1S(=O)(=O)NC 274078a_100102657272_100000708428 [0,1,1,0,0,0|1,0,1]=4 221 B13R1.2129 CNS(=O)(=O)c1ccccc1C#N 274078a_100102657272_100000184585 [0,1,1,0,0,0|1,0,1]=4 222 B13R1.2129 CNS(=O)(=O)c1ccccc1C#N 40a_100102657272_100010340462 [0,1,1,0,0,0|1,0,1]=4 223 B13R1.2129 CNS(=O)(=O)c1ccccc1N[13CH3] 34a_100000736802_200025704644 [0,1,1,0,0,0|2,0,0]=4 224 B13R1.2129 CNS(=O)(=O)c1ccccc1OC 270084a_100102657272_100000183792 [0,1,1,0,0,0|2,0,0]=4 225 B13R1.2129 CNS(=O)(=O)c1ccccc1OC 274078a_100102657272_100000183792 [0,1,1,0,0,0|2,0,0]=4 226 B13R1.2129 CNS(=O)(=O)c1ccccc1SC 62a_200000165157_200000210301 [0,1,1,0,0,0|2,0,0]=4 227 B13R1.2129 CNS(=O)(=O)c1ccccc1S[13CH3] 62a_200000165157_200025704644 [0,1,1,0,0,0|2,0,0]=4 228 B13R1.2129 CNc1ccccc1S(=O)(=O)NC 34a_100000736802_200000210301 [0,1,1,0,0,0|2,0,0]=4 229 B13R1.2129 CSc1ccccc1S(=O)(=O)NN 62a_200011248379_200000210301 [0,1,1,0,0,0|2,0,0]=4 230 B13R1.2129 [13CH3]Sc1ccccc1S(=O)(=O)NN 62a_200011248379_200025704644 [0,1,1,0,0,0|2,0,0]=4 231 B13R1.3090 C=Cc1ccc(cc1S(=O)(=O)N)F 271570a_100011290941_200011831050 [0,1,1,0,0,0|1,0,0]=3 232 B13R1.3090 CNc1ccc(cc1S(=O)(=O)N)Br 34a_100011388931_200000210301 [0,1,1,0,0,0|2,0,0]=4 233 B13R1.3090 CNc1ccc(cc1S(=O)(=O)N)C 34a_100000076701_200000210301 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.3090 CNc1ccc(cc1S(=O)(=O)N)Cl 34a_100011290893_200000210301 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.3090 CNc1ccc(cc1S(=O)(=O)N)F 34a_100011388930_200000210301 [0,1,1,0,0,0|2,0,0]=4 236 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)O 271570a_203496583355_100000164584 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.3090 CS(=O)(=O)c1cc(ccc1C=O)O 271570a_203496583355_100000037336 [0,1,1,0,0,0|1,0,0]=3 238 B13R1.3090 CSc1ccc(cc1S(=O)(=O)N)F 62a_200011831050_200000210301 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.3090 Cc1ccc(c(c1)S(=O)(=O)N)N[13CH3] 34a_100000076701_200025704644 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.3090 [13CH3]Nc1ccc(cc1S(=O)(=O)N)Br 34a_100011388931_200025704644 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.3090 [13CH3]Nc1ccc(cc1S(=O)(=O)N)Cl 34a_100011290893_200025704644 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.3090 [13CH3]Nc1ccc(cc1S(=O)(=O)N)F 34a_100011388930_200025704644 [0,1,1,0,0,0|2,0,0]=4 243 B13R1.3090 [13CH3]Sc1ccc(cc1S(=O)(=O)N)F 62a_200011831050_200025704644 [0,1,1,0,0,0|2,0,0]=4 244 B13R1.352 CS(=O)(=O)NC(=O)c1ccccc1 2740a_100000171171_100000185807 [0,1,1,0,0,0|0,0,0]=2 245 B13R1.352 C[C@@H](NS(=O)(=O)C)c1ccccc1 40a_100000751104_100000738038 [0,1,1,0,0,0|1,0,1]=4 246 B13R1.352 NS(=O)(=O)CC(=O)c1ccccc1 1458a_100000185807_100000741382 [0,1,1,0,0,0|1,0,0]=3 247 B13R1.352 O=C(CS(=O)(=O)[O-])c1ccccc1 1458a_100000185807_100009817235 [0,1,1,0,0,0|1,0,0]=3 248 B13R1.547 CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210202 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 1626a_100102657272_100000061294 [0,1,1,0,0,0|1,0,0]=3 250 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 240690a_100102657272_100000061294 [0,1,1,0,0,0|1,0,0]=3 251 B13R1.547 CNC(=O)c1ccccc1S(=O)C 1626a_100102657272_100000204632 [0,1,1,0,0,0|1,0,1]=4 252 B13R1.547 CNC(=O)c1ccccc1S(=O)C 240690a_100102657272_100000204632 [0,1,1,0,0,0|1,0,1]=4 253 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [0,1,1,0,0,0|1,0,1]=4 254 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [0,1,1,0,0,0|1,0,1]=4 255 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [0,1,1,0,0,0|1,0,1]=4 256 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [0,1,1,0,0,0|1,0,1]=4 257 B13R1.547 O=C(CF)c1ccccc1I(=O)=O 1458a_100000061294_100015361967 [0,1,1,0,0,0|2,0,0]=4 258 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [1,1,0,0,0,0|1,0,0]=3 259 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [1,1,0,0,0,0|2,0,0]=4 260 B13R2.5187 Cn1[nH]c(=O)c2c1cc(cc2)O 271570a_203496583355_100011014602 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.5187 O=C1CC(=O)c2c1ccc(c2)O 271570a_203496583355_100009997049 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.5187 O=C1NC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185758 [1,1,0,0,0,0|1,0,0]=3 263 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [1,1,0,0,0,0|2,0,0]=4 264 B15R2.7494 O=C1CCS(=O)(=O)c2c1cc(cc2)O 271570a_203496583355_100000230923 [0,1,0,0,0,1|1,0,0]=3 265 B15R2.4975 C=Cc1ccc2c(c1)C(=O)NS2(=O)=O 271570a_100011290941_100000687181 [0,2,0,0,0,0|0,0,0]=2 266 B15R2.4975 CNc1ccc2c(c1)C(=O)NS2(=O)=O 34a_200000744056_200000210301 [0,2,0,0,0,0|0,0,0]=2 267 B15R2.4975 CNc1ccc2c(c1)C(=O)NS2(=O)=O 7a_200000744056_200000210301 [0,2,0,0,0,0|0,0,0]=2 268 B15R2.4975 [13CH3]Nc1ccc2c(c1)C(=O)NS2(=O)=O 34a_200000744056_200025704644 [0,2,0,0,0,0|0,0,0]=2 269 B15R2.4975 [13CH3]Nc1ccc2c(c1)C(=O)NS2(=O)=O 7a_200000744056_200025704644 [0,2,0,0,0,0|0,0,0]=2 270 B15R2.22361 C=Cc1ccc2c(c1)S(=O)(=O)NC2=O 271570a_100011290941_100000725370 [0,2,0,0,0,0|0,0,0]=2 271 B11R0.165 C/C=C/C=CC(=O)NS(=O)(=O)C 2740a_100000171171_100000185730 [0,0,2,0,0,0|0,0,2]=4 272 B11R0.353 C=CCC(=O)NS(=O)(=O)CC=C 2740a_100000694456_100000210193 [0,0,2,0,0,0|0,0,2]=4 273 B11R0.353 C=CCS(=O)(=O)NC(=O)C=CBr 2740a_100000694456_100016273825 [0,0,2,0,0,0|1,0,1]=4 274 B11R0.353 C=CCS(=O)(=O)NC(=O)C=CC 2740a_100000694456_100000210699 [0,0,2,0,0,0|0,0,2]=4 275 B11R0.353 C=CCS(=O)(=O)NC(=O)C=CCl 2740a_100000694456_200016279998 [0,0,2,0,0,0|1,0,1]=4 276 B11R0.353 C=CCS(=O)(=O)NC(=O)C=CI 2740a_100000694456_100016256311 [0,0,2,0,0,0|1,0,1]=4 277 B11R0.83 C=CC=CC(=O)NS(=O)(=O)CC 2740a_100000171174_100016291481 [0,0,2,0,0,0|0,0,2]=4 278 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 270084a_100015525214_100000211737 [0,0,1,0,0,1|1,0,1]=4 279 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 274078a_100015525214_100000211737 [0,0,1,0,0,1|1,0,1]=4 280 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 40a_100015525214_100000235865 [0,0,1,0,0,1|1,0,1]=4 281 B13R1.1327 CNNS(=O)(=O)Cc1ccccc1 40a_100016993582_100000235865 [0,0,1,0,0,1|2,0,0]=4 282 B13R1.622 C=Cc1ccccc1CS(=O)(=O)C 271570a_100011290941_100009814642 [0,0,1,0,0,1|2,0,0]=4 283 B13R1.622 C=Cc1ccccc1NS(=O)(=O)C 271570a_100011290941_100000165598 [0,0,1,0,0,1|2,0,0]=4 284 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,1,0,0,1|2,0,0]=4 285 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,0,1,0,0,1|2,0,0]=4 286 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,0,1,0,0,1|2,0,0]=4 287 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,0,1,0,0,1|2,0,0]=4 288 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,0,1,0,0,1|2,0,0]=4 289 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,0,1,0,0,1|2,0,0]=4 290 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,1,0,0,1|2,0,0]=4 291 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100015343762 [0,0,1,0,0,1|2,0,0]=4 292 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100015343762 [0,0,1,0,0,1|2,0,0]=4 293 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000070787 [0,0,1,0,0,1|2,0,0]=4