0 B11R1.74 C=C(C)c1cc(=O)[nH]c(=O)[nH]1 271570a_100000694244_100000015670 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.74 C=C(C)c1cc([nH]c(=O)c1)C 271570a_100000694244_100009861981 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.74 CC(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.74 CC(=O)N1CC(=O)NC(=O)C1 11a_100000763381_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.74 CC(=O)N1CC(=O)NC(=O)C1 1626a_100000763381_100015343762 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.74 CC(=O)N1CC(=O)NC(=O)C1 240690a_100000763381_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.74 CC(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200000210301 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.74 CN(C)c1cc(=O)[nH]c(=O)[nH]1 27a_100102631434_100000015670 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.74 [13CH3]C(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200025704644 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.74 [13CH3]C(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200025704644 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.8 C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100011290941_100000015670 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.8 C=Cc1cc([nH]c(=O)c1)C 271570a_100011290941_100009861981 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.8 CNc1cc(=O)[nH]c(=O)[nH]1 27a_100102657272_100000015670 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.8 CSc1cc(=O)[nH]c(=O)[nH]1 62a_200000210301_100000015670 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.8 [13CH3]Sc1cc(=O)[nH]c(=O)[nH]1 62a_200025704644_100000015670 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.358 CCC(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_100000210202 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.358 CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1626a_100102657272_100000732592 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.358 CNC(=O)[C@@H]1CC(=O)NC(=O)N1 240690a_100102657272_100000732592 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.358 O=C1CN(CC(=O)N1)C(=O)CO 240690a_100000763381_100000210174 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.358 O=C1C[C@H](NC(=O)N1)C(=O)CF 1458a_100000732592_100015361967 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.511 C=C(C)c1[nH]c(=O)[nH]c(=O)c1C 271570a_100000694244_200009866310 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.511 C=C(C)c1cc(=O)[nH]c(=O)n1C 271570a_100000694244_100000093302 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.511 CN(C)c1cc(=O)[nH]c(=O)n1C 27a_100102631434_100000093302 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.511 Cc1c([nH]c(=O)[nH]c1=O)N(C)C 27a_100102631434_200009866310 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.1005 C=C(C)c1cc(=O)n(c(=O)[nH]1)C 271570a_100000694244_100000723047 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.1005 CC(=O)[C@@H]1CC(=O)N(C(=O)N1)C 1458a_100015231322_200000210301 [0,1,0,0,0,0|1,0,2]=4 29 B12R1.1005 CN(C)c1cc(=O)n(c(=O)[nH]1)C 27a_100102631434_100000723047 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.1005 CN1C(=O)C[C@H](NC1=O)C(=O)[13CH3] 1458a_100015231322_200025704644 [0,1,0,0,0,0|1,0,2]=4 31 B12R2.2294 O=c1cc([nH]c(=O)[nH]1)C2CC2 271570a_100011220607_100000015670 [0,0,0,1,0,0|2,0,1]=4 32 B12R1.101 CC(=Cc1cc(=O)[nH]c(=O)[nH]1)C 271570a_100102525489_100000015670 [0,0,0,0,0,1|2,0,0]=3 33 B12R1.101 CC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000070787_100000185147 [0,0,0,0,0,1|1,0,2]=4 34 B12R1.101 CC(C)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100138425928_100000015670 [0,0,0,0,0,1|2,0,1]=4 35 B12R1.101 CC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100000210206_100000015670 [0,0,0,0,0,1|2,0,1]=4 36 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.34 O=c1cc([nH]c(=O)[nH]1)O 271570a_203496583355_100000015670 [2,0,0,0,0,0|0,0,0]=2 42 B11R0.107 CNC(=O)C=CC(=O)CC(=O)N 1458a_100016259477_100000187820 [0,1,1,0,0,0|2,0,0]=4 43 B11R1.8 C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100011290941_200009866310 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.8 C=Cc1cc(=O)[nH]c(=O)n1C 271570a_100011290941_100000093302 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.8 CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100102657272_200009866310 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.8 CNc1cc(=O)[nH]c(=O)n1C 27a_100102657272_100000093302 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.8 CSc1[nH]c(=O)[nH]c(=O)c1C 62a_200000210301_200009866310 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.8 CSc1cc(=O)[nH]c(=O)n1C 62a_200000210301_100000093302 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.8 Cc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_200009866310 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.8 Cn1c(cc(=O)[nH]c1=O)S[13CH3] 62a_200025704644_100000093302 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.14 C=Cc1cc(=O)n(c(=O)[nH]1)C 271570a_100011290941_100000723047 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.14 CNc1cc(=O)n(c(=O)[nH]1)C 27a_100102657272_100000723047 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.14 CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_200000210301 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.14 CSc1cc(=O)n(c(=O)[nH]1)C 62a_200000210301_100000723047 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.14 Cn1c(=O)cc([nH]c1=O)S[13CH3] 62a_100000723047_200025704644 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.14 Cn1c(=O)cc([nH]c1=O)S[13CH3] 62a_200025704644_100000723047 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.34 C=C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100015277604_100000015670 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.34 CC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016259895_100000015670 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.34 CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100015525214_100000015670 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.34 CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210202_100000015670 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.34 O=c1cc([nH]c(=O)[nH]1)SCF 62a_100015361967_100000015670 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.2816 CC(=Cc1[nH]c(=O)[nH]c(=O)c1C)C 271570a_100102525489_200009866310 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.2816 CC(=Cc1cc(=O)[nH]c(=O)n1C)C 271570a_100102525489_100000093302 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.2816 CC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000070787_200000042301 [0,1,0,0,0,1|1,0,0]=3 65 B13R1.2874 CC(CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100012180447_100000015670 [0,1,0,0,0,1|1,0,1]=4 66 B13R1.2874 COC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100009879195_100000015670 [0,1,0,0,0,1|1,0,1]=4 67 B13R1.2874 C[C@H](CO)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100000737577_100000015670 [0,1,0,0,0,1|1,0,1]=4 68 B13R1.2874 C[C@H](CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100016084084_100000015670 [0,1,0,0,0,1|1,0,1]=4 69 B13R1.2874 O=C(CO)Cc1cc(=O)[nH]c(n1)O 1458a_100000210174_100000185147 [0,1,0,0,0,1|0,0,2]=4 70 B13R1.3423 CC(=C(C)c1cc(=O)[nH]c(=O)[nH]1)C 271570a_200000049429_100000015670 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.3763 CC(=Cc1cc(=O)n(c(=O)[nH]1)C)C 271570a_100102525489_100000723047 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.450 CN(CCO)c1cc(=O)[nH]c(=O)[nH]1 27a_100000210263_100000015670 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.450 O=C1C[C@H](NC(=O)N1)C(=O)CCO 1458a_100000732592_100000211926 [0,2,0,0,0,0|0,0,2]=4 74 B13R1.4789 COC(=O)c1[nH]c(=O)[nH]c(=O)c1O 271570a_203496583355_100010177026 [0,2,0,0,0,0|0,0,0]=2 75 B13R1.2811 C=C(C)c1cc(=O)n(c(=O)n1C)C 271570a_100000694244_100000034780 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.3255 C=C(C)c1[nH]c(=O)[nH]c(=O)c1CC 271570a_100000694244_100000080397 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,1,1,0,0|2,0,0]=4 78 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,1,1,0,0|2,0,0]=4 79 B13R2.5397 O=c1[nH]c(=O)c2nc([nH]c2[nH]1)O 271570a_203496583355_100010005409 [0,0,0,1,0,1|1,0,0]=3 80 B13R2.3742 O=c1[nH]c(=O)c2scc(c2[nH]1)O 271570a_203496583355_100010246816 [0,1,0,1,0,0|0,1,0]=3 81 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,0,1,0,1,0|1,0,1]=4 82 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,1,0|1,0,1]=4 83 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,1,0|1,0,1]=4 84 B11R0.6 CC(=O)NC(=O)CNCC(=O)O 269956a_100016091260_100000183797 [0,0,1,0,0,1|0,0,2]=4 85 B11R1.166 C=C(C)c1n[nH]c(=O)[nH]c1=O 271570a_100000694244_100000181694 [0,0,0,0,1,1|2,0,0]=4 86 B13R1.3420 C=C(C)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000765925_100000015670 [0,0,0,0,0,2|2,0,0]=4 87 B13R1.3420 C=C(C)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000748629_100000015670 [0,0,0,0,0,2|2,0,0]=4 88 B13R1.3420 C=C(F)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000042424_100000015670 [0,0,0,0,0,2|2,0,0]=4 89 B13R1.3420 CC(O)C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_200011019289_100000015670 [0,0,0,0,0,2|1,0,1]=4 90 B13R1.3420 CC(O)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000210904_100000015670 [0,0,0,0,0,2|1,0,1]=4 91 B13R1.3420 CC(O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218427_100000015670 [0,0,0,0,0,2|1,0,1]=4 92 B13R1.3420 C[C@@H](O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100009817552_100000015670 [0,0,0,0,0,2|1,0,1]=4 93 B13R1.3420 NC(=O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000747473_100000015670 [0,0,0,0,0,2|1,0,0]=3 94 B13R1.3420 O=C([O-])CSc1cc(=O)[nH]c(=O)[nH]1 62a_100020667443_100000015670 [0,0,0,0,0,2|0,0,1]=3