0 B15R1.5793 CC(CC(=O)C1=C(C=CC=C1)F)C(=O)O MCULE-5553807204 [0,0,0,0,0,0|2,0,0]=2 1 B15R1.5793 CC(NC(=O)C1=C(C=CC=C1)Br)C(=O)O MCULE-9744607508 [0,0,0,0,0,0|3,0,0]=3 2 B15R1.5793 CC(NC(=O)C1=C(C=CC=C1)Cl)C(=O)O MCULE-3201363242 [0,0,0,0,0,0|3,0,0]=3 3 B15R1.5793 CC(NC(=O)C1=C(C=CC=C1)F)C(=O)O MCULE-5170187177 [0,0,0,0,0,0|3,0,0]=3 4 B15R1.5793 CC(NC(=O)C1=CC=CC=C1N)C(=O)O MCULE-8424560776 [0,0,0,0,0,0|2,0,0]=2 5 B15R1.5793 CC1=C(C=CC=C1)C(=O)NC(C)C(=O)O MCULE-6901288789 [0,0,0,0,0,0|3,0,0]=3 6 B15R1.5793 NC1=C(C=CC=C1)C(=O)CC(N)C(=O)O MCULE-6365994952 [0,0,0,0,0,0|0,0,0]=0 7 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-3000532519 [0,0,0,0,0,0|0,0,0]=0 8 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-4921407586 [0,0,0,0,0,0|0,0,0]=0 9 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@H](N)C(=O)O MCULE-9931264693 [0,0,0,0,0,0|0,0,0]=0 10 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O MCULE-5768672194 [0,0,0,0,0,0|0,0,0]=0 11 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-4252266743 [0,0,0,0,0,0|0,0,0]=0 12 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-6921924741 [0,0,0,0,0,0|0,0,0]=0 13 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-2954767871 [0,0,0,0,0,0|0,0,0]=0 14 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-3184741194 [0,0,0,0,0,0|0,0,0]=0 15 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-5938770114 [0,0,0,0,0,0|0,0,0]=0 16 B15R1.5793 N[C@H](CC(=O)C1=CC=CC=C1O)C(=O)O MCULE-9198472086 [0,0,0,0,0,0|1,0,0]=1 17 B14R1.160 CC(=O)COC(=O)C1=CC=CC=C1Br MCULE-2353463310 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.160 CC(=O)COC(=O)C1=CC=CC=C1N MCULE-1132914706 [1,0,0,0,0,0|2,0,0]=3 19 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1N MCULE-9212827880 [1,0,0,0,0,0|3,0,0]=4 20 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1C MCULE-6335589175 [1,0,0,0,0,0|3,0,0]=4 21 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1Cl MCULE-4816364116 [1,0,0,0,0,0|3,0,0]=4 22 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1F MCULE-9043405538 [1,0,0,0,0,0|3,0,0]=4 23 B14R1.160 CC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2701695748 [1,0,0,0,0,0|1,0,0]=2 24 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6971330465 [1,0,0,0,0,0|2,0,0]=3 25 B14R1.160 CC1=CC=CC=C1C(=O)C=CC(=O)O MCULE-1154700170 [1,0,0,0,0,0|1,0,2]=4 26 B14R1.160 CN(CCC(=O)O)C1=C(C=CC=C1)F MCULE-3738842396 [1,0,0,0,0,0|3,0,0]=4 27 B14R1.160 CN(CCC(=O)O)C1=C(C=CC=C1)F MCULE-5621672413 [1,0,0,0,0,0|3,0,0]=4 28 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6337040358 [1,0,0,0,0,0|1,0,0]=2 29 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-7892803957 [1,0,0,0,0,0|1,0,0]=2 30 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)[O-] MCULE-1208767346 [1,0,0,0,0,0|1,0,1]=3 31 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br MCULE-5626452166 [1,0,0,0,0,0|1,0,0]=2 32 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)F MCULE-2439050217 [1,0,0,0,0,0|1,0,0]=2 33 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)I MCULE-4955543307 [1,0,0,0,0,0|1,0,0]=2 34 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl MCULE-7314693029 [1,0,0,0,0,0|1,0,0]=2 35 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl MCULE-9247448113 [1,0,0,0,0,0|2,0,0]=3 36 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F MCULE-7821238762 [1,0,0,0,0,0|2,0,0]=3 37 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I MCULE-5889271418 [1,0,0,0,0,0|2,0,0]=3 38 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O MCULE-5194764394 [1,0,0,0,0,0|2,0,0]=3 39 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=N1)O MCULE-6903676397 [1,0,0,0,0,0|3,0,0]=4 40 B14R1.160 O=C(O)CNC(=O)C1=C(N=CC=C1)Cl MCULE-7667340229 [1,0,0,0,0,0|3,0,0]=4 41 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Br MCULE-1952492828 [1,0,0,0,0,0|2,0,0]=3 42 B14R1.160 O=C(O)CSC(=O)C1=CC=CC=C1Cl MCULE-8267772871 [1,0,0,0,0,0|2,0,0]=3 43 B14R1.160 O=C([O-])CNC(=O)C1=C(C=CC=C1)I MCULE-1576361058 [1,0,0,0,0,0|2,0,1]=4 44 B14R1.161 CC(CCC1=C(C=CC=C1)F)C(=O)O MCULE-3125894288 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.161 CC1=C(C=CC=C1)OCC(O)C(=O)O MCULE-8208271726 [1,0,0,0,0,0|3,0,0]=4 46 B14R1.161 CC1=CC=CC=C1CCC(N)C(=O)O MCULE-3313728333 [1,0,0,0,0,0|1,0,1]=3 47 B14R1.161 CC1=CC=CC=C1CC[C@@H](N)C(=O)O MCULE-8729689255 [1,0,0,0,0,0|1,0,1]=3 48 B14R1.161 CC1=CC=CC=C1CC[C@H](N)C(=O)O MCULE-4824292330 [1,0,0,0,0,0|1,0,1]=3 49 B14R1.161 CC1=CC=CC=C1SCC(N)C(=O)O MCULE-5388935493 [1,0,0,0,0,0|2,0,0]=3 50 B14R1.161 NC(CCC1=C(C=CC=C1)Cl)C(=O)O MCULE-2778189696 [1,0,0,0,0,0|1,0,1]=3 51 B14R1.161 NC(CCC1=CC=CC=C1O)C(=O)O MCULE-2969125555 [1,0,0,0,0,0|1,0,1]=3 52 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-7011799987 [1,0,0,0,0,0|1,0,1]=3 53 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-9761104054 [1,0,0,0,0,0|1,0,1]=3 54 B14R1.161 N[C@@H](CCC1=CC=CC=C1F)C(=O)O MCULE-5338422633 [1,0,0,0,0,0|1,0,1]=3 55 B14R1.415 C=C(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-4853546501 [1,0,0,0,0,0|1,0,1]=3 56 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-9497914225 [1,0,0,0,0,0|1,0,0]=2 57 B14R1.415 CC(CC(=O)C1=CC=CC=C1)N(=O)=O MCULE-7159889728 [1,0,0,0,0,0|2,0,1]=4 58 B14R1.415 CC(CN(C)C1=CC=CC=C1)C(=O)O MCULE-5170572205 [1,0,0,0,0,0|3,0,0]=4 59 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 MCULE-5024809530 [1,0,0,0,0,0|1,0,1]=3 60 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O MCULE-7433058130 [1,0,0,0,0,0|2,0,0]=3 61 B14R1.415 CC(NC(=O)C1=CC=CN=C1)C(=O)O MCULE-3389254439 [1,0,0,0,0,0|3,0,0]=4 62 B14R1.415 CC(NC(=O)C1=CC=NC=C1)C(=O)O MCULE-3084790038 [1,0,0,0,0,0|3,0,0]=4 63 B14R1.415 CC(NC(=S)C1=CC=CC=C1)C(=O)O MCULE-9075531346 [1,0,0,0,0,0|2,1,0]=4 64 B14R1.415 CC(SC(=S)C1=CC=CC=C1)C(=O)O MCULE-1144556210 [1,0,0,0,0,0|2,1,0]=4 65 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 MCULE-3052929456 [1,0,0,0,0,0|2,0,0]=3 66 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-1566361142 [1,0,0,0,0,0|2,0,0]=3 67 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-6120803736 [1,0,0,0,0,0|2,0,0]=3 68 B14R1.415 C[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O MCULE-4451462188 [1,0,0,0,0,0|2,0,0]=3 69 B14R1.415 C[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O MCULE-7768626103 [1,0,0,0,0,0|2,0,0]=3 70 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-4658036994 [1,0,0,0,0,0|2,0,0]=3 71 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-5031596441 [1,0,0,0,0,0|2,0,0]=3 72 B14R1.415 C[C@H](NC(=O)C1=CC=CN=C1)C(=O)O MCULE-7671247438 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.415 C[C@H](NC(=O)C1=CN=CC=C1)C(=O)O MCULE-1620396926 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7684350557 [1,0,0,0,0,0|0,0,0]=1 75 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8675735814 [1,0,0,0,0,0|0,0,0]=1 76 B14R1.415 NC(NC(=O)C1=CC=CC=C1)C(=O)[O-] MCULE-5401507689 [1,0,0,0,0,0|1,0,1]=3 77 B14R1.415 NC(NC(=O)C1=CC=CC=C1)C(=O)[O-] MCULE-7704723031 [1,0,0,0,0,0|1,0,1]=3 78 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-3401135195 [1,0,0,0,0,0|0,0,0]=1 79 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-6288791296 [1,0,0,0,0,0|0,0,0]=1 80 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7943523013 [1,0,0,0,0,0|0,0,0]=1 81 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8818952296 [1,0,0,0,0,0|0,0,0]=1 82 B14R1.415 O=C(CC(O)C(=O)O)C1=CC=CC=C1 MCULE-6836799308 [1,0,0,0,0,0|1,0,0]=2 83 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 MCULE-5013926210 [1,0,0,0,0,0|2,0,0]=3 84 B14R1.415 O=C(O)C(=CC(=O)C1=CC=CC=C1)O MCULE-1085026176 [1,0,0,0,0,0|1,0,2]=4 85 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 MCULE-2511482745 [1,0,0,0,0,0|1,0,1]=3 86 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CN=C1 MCULE-1902418859 [1,0,0,0,0,0|2,0,1]=4 87 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=NC=C1 MCULE-5649903364 [1,0,0,0,0,0|2,0,1]=4 88 B16R1.636 CCC(NC(=O)C1=C(C=CC=C1)N)C(=O)O MCULE-4040836596 [0,1,0,0,0,0|2,0,0]=3 89 B16R1.636 O=C(N[C@H](CO)C(=O)O)C1=CC=CC=C1O MCULE-4852202261 [0,1,0,0,0,0|3,0,0]=4 90 B16R1.636 O=C(N[C@H](CO)C(=O)O)C1=CC=CC=C1O MCULE-9477775189 [0,1,0,0,0,0|3,0,0]=4 91 B16R1.5566 COC1=C(C=CC=C1)C(=O)CC(=O)C(=O)O MCULE-4847138247 [0,1,0,0,0,0|2,0,1]=4 92 B16R1.5566 COC1=C(C=CC=C1)C(=O)N[C@@H](C)C(=O)O MCULE-2366695848 [0,1,0,0,0,0|3,0,0]=4 93 B16R1.11263 CC(NC(=O)C1=C(C(=CC=C1)Cl)Cl)C(=O)O MCULE-2715085915 [0,1,0,0,0,0|3,0,0]=4 94 B16R1.11263 NC1=C(C=CC=C1C(=O)CC(N)C(=O)O)O MCULE-6658253392 [0,1,0,0,0,0|0,0,0]=1 95 B16R1.11263 NC1=C(C=CC=C1C(=O)C[C@@H](N)C(=O)O)O MCULE-9748579037 [0,1,0,0,0,0|0,0,0]=1 96 B16R1.11441 CC(NC(=O)C1=C(C=C(C=C1)Cl)Cl)C(=O)O MCULE-9862717890 [0,1,0,0,0,0|3,0,0]=4 97 B16R1.11441 CC1=CC(=C(C=C1)C(=O)NC(C)C(=O)O)C MCULE-4113629760 [0,1,0,0,0,0|3,0,0]=4 98 B16R1.11441 NC1=C(C=CC(=C1)Cl)C(=O)C[C@H](N)C(=O)O MCULE-5854866774 [0,1,0,0,0,0|0,0,0]=1 99 B16R1.11441 O=C(O)C(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-4428751036 [0,1,0,0,0,0|2,0,1]=4 100 B16R1.11443 CC(NC(=O)C1=CC(=CC=C1Cl)Cl)C(=O)O MCULE-4581390827 [0,1,0,0,0,0|3,0,0]=4 101 B16R1.11443 CC(NC(=O)C1=CC(=CC=C1F)Cl)C(=O)O MCULE-3119971281 [0,1,0,0,0,0|3,0,0]=4 102 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)C MCULE-8570821476 [0,1,0,0,0,0|2,0,1]=4 103 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)Cl MCULE-8517299782 [0,1,0,0,0,0|2,0,1]=4 104 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)O MCULE-3809609595 [0,1,0,0,0,0|2,0,1]=4 105 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1Br MCULE-7072430852 [0,1,0,0,0,0|2,0,1]=4 106 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1F MCULE-9482180973 [0,1,0,0,0,0|2,0,1]=4 107 B16R1.40086 CC1=C(C=CC=C1)C(=O)CC(C)(C)C(=O)O MCULE-1294048899 [0,1,0,0,0,0|2,0,0]=3 108 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,0,0,1,0,0|1,0,0]=2 109 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,0,0,1,0,0|2,0,0]=3 110 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,0,0,1,0,0|2,0,0]=3 111 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,0,0,1,0,0|3,0,0]=4 112 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,0,0,1,0,0|2,0,0]=3 113 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,0,0,1,0,0|2,0,0]=3 114 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,0,0,1,0,0|2,0,0]=3 115 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,0,0,1,0,0|2,0,0]=3 116 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,0,0,1,0,0|2,0,0]=3 117 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,0,0,1,0,0|2,0,0]=3 118 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,0,0,1,0,0|3,0,0]=4 119 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,0,0,1,0,0|1,0,0]=2 120 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,0,0,1,0,0|2,0,0]=3 121 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,0,0,1,0,0|2,0,0]=3 122 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,0,0,1,0,0|2,0,0]=3 123 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O MCULE-9264840769 [0,0,0,1,0,0|3,0,0]=4 124 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,0,0,1,0,0|2,0,0]=3 125 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,0,0,1,0,0|2,0,0]=3 126 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,0,0,1,0,0|2,0,0]=3 127 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,0,0,1,0,0|2,0,0]=3 128 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O MCULE-5808639127 [0,0,0,1,0,0|2,0,1]=4 129 B16R2.12 NC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-9996063121 [0,0,0,1,0,0|2,0,1]=4 130 B16R2.12 N[C@@H](CC1=C2C=CNC=C2N=C1)C(=O)O MCULE-7476750105 [0,0,0,1,0,0|2,0,1]=4 131 B16R2.12 N[C@@H](CC1=C2NC=CC=C2N=C1)C(=O)O MCULE-9698297023 [0,0,0,1,0,0|2,0,1]=4 132 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,0,0,1,0,0|1,0,0]=2 133 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,0,0,1,0,0|1,0,0]=2 134 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,0,0,1,0,0|2,0,0]=3 135 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,0,0,1,0,0|2,0,0]=3 136 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,0,0,1,0,0|2,0,0]=3 137 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,0,0,1,0,0|2,0,0]=3 138 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,0,0,1,0,0|2,0,0]=3 139 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,0,0,1,0,0|2,0,0]=3 140 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,0,0,1,0,0|2,0,0]=3 141 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,0,0,1,0,0|2,0,0]=3 142 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,0,0,1,0,0|2,0,0]=3 143 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,0,0,1,0,0|2,0,0]=3 144 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-7595639482 [0,0,0,1,0,0|2,0,1]=4 145 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8773290838 [0,0,0,1,0,0|2,0,1]=4 146 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8783403149 [0,0,0,1,0,0|2,0,1]=4 147 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8945946277 [0,0,0,1,0,0|2,0,1]=4 148 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,0,0,1,0,0|1,0,0]=2 149 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,0,0,1,0,0|2,0,0]=3 150 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,0,0,1,0,0|1,0,0]=2 151 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,0,0,1,0,0|1,0,0]=2 152 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,0,0,1,0,0|2,0,0]=3 153 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,0,0,1,0,0|2,0,0]=3 154 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,0,0,1,0,0|2,0,0]=3 155 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,0,0,1,0,0|2,0,0]=3 156 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,0,0,1,0,0|2,0,0]=3 157 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,0,0,1,0,0|2,0,1]=4 158 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,0,0,1,0,0|2,0,0]=3 159 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,0,0,1,0,0|2,0,0]=3 160 B16R2.3270 CC1=C(C=CC=C1)C2=NOC(C2)C(=O)O MCULE-4637028549 [0,0,0,1,0,0|3,0,0]=4 161 B16R2.3270 O=C(O)C1CC(=NO1)C2=C(C=CC=C2)Cl MCULE-9051253446 [0,0,0,1,0,0|3,0,0]=4 162 B16R2.3270 O=C(O)C1CC(=NO1)C2=C(C=CC=C2)O MCULE-7128596095 [0,0,0,1,0,0|3,0,0]=4 163 B16R2.3270 O=C(O)C1CC(=NO1)C2=CC=CC=C2F MCULE-4695827603 [0,0,0,1,0,0|3,0,0]=4 164 B16R2.3270 O=C1C=CC=CC1=C2CC(ON2)C(=O)O MCULE-5046767212 [0,0,0,1,0,0|3,0,0]=4 165 B16R2.3355 CC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-9506470979 [0,0,0,1,0,0|3,0,0]=4 166 B16R2.3355 CC(C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-1138703275 [0,0,0,1,0,0|3,0,0]=4 167 B16R2.3355 C[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-2644712365 [0,0,0,1,0,0|3,0,0]=4 168 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-6564818505 [0,0,0,1,0,0|3,0,0]=4 169 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-6797394670 [0,0,0,1,0,0|3,0,0]=4 170 B16R2.3355 C[C@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-6440751484 [0,0,0,1,0,0|3,0,0]=4 171 B16R2.387812 CC1(CC(=O)C2=CC=CC=C2O1)C(=O)O MCULE-9275834213 [0,0,0,1,0,0|2,0,0]=3 172 B16R2.387812 CC1(CC(=O)N2C=CC=CC2=N1)C(=O)O MCULE-8579365943 [0,0,0,1,0,0|2,0,1]=4 173 B16R2.387812 CC1(CC2=C(C=CC=C2)C(=O)O1)C(=O)O MCULE-1496096081 [0,0,0,1,0,0|3,0,0]=4 174 B14R1.243 NC1=C(C=CC=C1)C(O)C(N)C(=O)O MCULE-4762137124 [0,0,0,0,1,0|0,0,2]=3 175 B16R1.7413 CC(NC(=O)NC1=C(C=CC=C1)Cl)C(=O)O MCULE-6777265281 [0,0,0,0,0,1|3,0,0]=4 176 B16R1.7413 CC(NC(=O)NC1=C(C=CC=C1)F)C(=O)O MCULE-8115458741 [0,0,0,0,0,1|3,0,0]=4 177 B16R1.7413 CC1=C(C=CC=C1)NC(=O)NC(C)C(=O)O MCULE-6965539390 [0,0,0,0,0,1|3,0,0]=4 178 B16R1.7413 CC1=C(C=CC=C1)NC(=O)N[C@H](C)C(=O)O MCULE-2978590486 [0,0,0,0,0,1|3,0,0]=4 179 B16R1.7413 C[C@H](NC(=O)NC1=C(C=CC=C1)Cl)C(=O)O MCULE-7536084399 [0,0,0,0,0,1|3,0,0]=4 180 B16R1.7413 C[C@H](NC(=O)NC1=C(C=CC=C1)F)C(=O)O MCULE-7463034533 [0,0,0,0,0,1|3,0,0]=4 181 B16R1.7437 CC1=C(C=CC=C1)C(=O)CC(C)CC(=O)O MCULE-6978519012 [0,0,0,0,0,1|2,0,0]=3 182 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 MCULE-7185754790 [2,0,0,0,0,0|1,0,0]=3 183 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=N1 MCULE-1169430338 [2,0,0,0,0,0|2,0,0]=4 184 B13R1.45 CC(=O)CCC(=O)C1=CC=CN=C1 MCULE-3509234910 [2,0,0,0,0,0|2,0,0]=4 185 B13R1.45 CC(=O)CCC(=O)C1=CC=NC=C1 MCULE-3146867730 [2,0,0,0,0,0|2,0,0]=4 186 B13R1.45 CC(=O)CNC(=O)C1=CC=CC=C1 MCULE-9561319105 [2,0,0,0,0,0|2,0,0]=4 187 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 MCULE-2410376645 [2,0,0,0,0,0|2,0,0]=4 188 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 MCULE-6090896883 [2,0,0,0,0,0|2,0,0]=4 189 B13R1.45 CC(=O)SCC(=O)C1=CC=CC=C1 MCULE-6655287902 [2,0,0,0,0,0|2,0,0]=4 190 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 MCULE-9273435680 [2,0,0,0,0,0|1,0,1]=4 191 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-6181229610 [2,0,0,0,0,0|2,0,0]=4 192 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-7016084931 [2,0,0,0,0,0|2,0,0]=4 193 B13R1.45 N=C(NCC(=O)O)C1=CC=CC=C1 MCULE-3603507752 [2,0,0,0,0,0|2,0,0]=4 194 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 MCULE-1126824260 [2,0,0,0,0,0|2,0,0]=4 195 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-4202777625 [2,0,0,0,0,0|1,0,1]=4 196 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-6369614057 [2,0,0,0,0,0|1,0,1]=4 197 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-8208262479 [2,0,0,0,0,0|1,0,1]=4 198 B13R1.45 NN(CCC(=O)O)C1=CC=CC=C1 MCULE-6515024702 [2,0,0,0,0,0|2,0,0]=4 199 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-1186252540 [2,0,0,0,0,0|1,0,1]=4 200 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-3844920282 [2,0,0,0,0,0|1,0,1]=4 201 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9329598937 [2,0,0,0,0,0|1,0,1]=4 202 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9753214445 [2,0,0,0,0,0|1,0,1]=4 203 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-4184367501 [2,0,0,0,0,0|1,0,1]=4 204 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-5500987281 [2,0,0,0,0,0|1,0,1]=4 205 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-7624062364 [2,0,0,0,0,0|1,0,1]=4 206 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9023704248 [2,0,0,0,0,0|1,0,1]=4 207 B13R1.45 O=C(Cl)CNC(=O)C1=CC=CC=C1 MCULE-6200370246 [2,0,0,0,0,0|2,0,0]=4 208 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 MCULE-8715758472 [2,0,0,0,0,0|2,0,0]=4 209 B13R1.45 O=C(O)/C=C/C(=O)C1=CC=CC=C1 MCULE-7932930043 [2,0,0,0,0,0|0,0,2]=4 210 B13R1.45 O=C(O)C=CC(=O)C1=CC=CC=C1 MCULE-3929792367 [2,0,0,0,0,0|0,0,2]=4 211 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [2,0,0,0,0,0|0,0,0]=2 212 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 MCULE-9218064287 [2,0,0,0,0,0|1,0,0]=3 213 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 MCULE-5354097885 [2,0,0,0,0,0|1,0,0]=3 214 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4148866271 [2,0,0,0,0,0|1,0,0]=3 215 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4643360404 [2,0,0,0,0,0|1,0,0]=3 216 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 MCULE-4325680851 [2,0,0,0,0,0|0,0,2]=4 217 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MCULE-2214602350 [2,0,0,0,0,0|1,0,0]=3 218 B13R1.45 O=C(O)CNC(=O)C1=CC=C[NH+]=C1 MCULE-2334015826 [2,0,0,0,0,0|2,0,0]=4 219 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 MCULE-1163809665 [2,0,0,0,0,0|2,0,0]=4 220 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 MCULE-2257741698 [2,0,0,0,0,0|2,0,0]=4 221 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 MCULE-4073681274 [2,0,0,0,0,0|2,0,0]=4 222 B13R1.45 O=C(O)CNC(=S)C1=CC=CC=C1 MCULE-9765729580 [2,0,0,0,0,0|1,1,0]=4 223 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 MCULE-6985615485 [2,0,0,0,0,0|2,0,0]=4 224 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 MCULE-5202964730 [2,0,0,0,0,0|1,0,0]=3 225 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 MCULE-1348963497 [2,0,0,0,0,0|1,1,0]=4 226 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 MCULE-9281884015 [2,0,0,0,0,0|1,0,1]=4 227 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 MCULE-1564217179 [2,0,0,0,0,0|1,0,1]=4 228 B13R1.158 CC1=C(C=CC=C1)CCCC(=O)O MCULE-8086754634 [2,0,0,0,0,0|1,0,1]=4 229 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O MCULE-6433959628 [2,0,0,0,0,0|2,0,0]=4 230 B13R1.158 CC1=CC=CC=C1OCCC(=O)O MCULE-1847570735 [2,0,0,0,0,0|2,0,0]=4 231 B13R1.158 CC1=CC=CC=C1SCCC(=O)O MCULE-3610383733 [2,0,0,0,0,0|2,0,0]=4 232 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)N MCULE-5304706792 [2,0,0,0,0,0|2,0,0]=4 233 B13R1.158 NC(=O)CCNC1=CC=CC=C1N MCULE-9465629675 [2,0,0,0,0,0|2,0,0]=4 234 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N MCULE-6323548335 [2,0,0,0,0,0|2,0,0]=4 235 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N MCULE-1644880299 [2,0,0,0,0,0|2,0,0]=4 236 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-4546839548 [2,0,0,0,0,0|0,0,1]=3 237 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-8845736053 [2,0,0,0,0,0|0,0,1]=3 238 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-4643199382 [2,0,0,0,0,0|1,0,0]=3 239 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-9399438033 [2,0,0,0,0,0|1,0,0]=3 240 B13R1.158 O=C(O)CC=CC1=C(C=CC=C1)F MCULE-9599946758 [2,0,0,0,0,0|1,0,1]=4 241 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br MCULE-9066386382 [2,0,0,0,0,0|1,0,1]=4 242 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl MCULE-6520890001 [2,0,0,0,0,0|1,0,1]=4 243 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F MCULE-7333605867 [2,0,0,0,0,0|1,0,1]=4 244 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)O MCULE-6061979247 [2,0,0,0,0,0|1,0,1]=4 245 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)F MCULE-9617002989 [2,0,0,0,0,0|2,0,0]=4 246 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl MCULE-7708706863 [2,0,0,0,0,0|2,0,0]=4 247 B13R1.158 O=C(O)CCNC1=CC=CC=C1I MCULE-8194705706 [2,0,0,0,0,0|2,0,0]=4 248 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br MCULE-1634299141 [2,0,0,0,0,0|2,0,0]=4 249 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl MCULE-2237792478 [2,0,0,0,0,0|2,0,0]=4 250 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F MCULE-8402983120 [2,0,0,0,0,0|2,0,0]=4 251 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)I MCULE-3745325973 [2,0,0,0,0,0|2,0,0]=4 252 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br MCULE-9251688488 [2,0,0,0,0,0|2,0,0]=4 253 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl MCULE-1522135518 [2,0,0,0,0,0|2,0,0]=4 254 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F MCULE-4201790331 [2,0,0,0,0,0|2,0,0]=4 255 B13R1.674 C=CCCC(=O)C1=CC=CC=C1C MCULE-9120030411 [2,0,0,0,0,0|2,0,0]=4 256 B13R1.674 C=CCCC(=O)C1=CC=CC=C1Cl MCULE-7164122494 [2,0,0,0,0,0|2,0,0]=4 257 B13R1.674 C=CCCC(=O)C1=CC=CC=C1F MCULE-4918047723 [2,0,0,0,0,0|2,0,0]=4 258 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N MCULE-8677868078 [2,0,0,0,0,0|2,0,0]=4 259 B13R1.674 NC1=C(C=CC=C1)C(=O)NCCO MCULE-6496703700 [2,0,0,0,0,0|1,0,1]=4 260 B13R1.674 NC1=C(C=CC=C1)C(=O)NCCO MCULE-7412686245 [2,0,0,0,0,0|1,0,1]=4 261 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O MCULE-7379407319 [2,0,0,0,0,0|1,0,1]=4 262 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O MCULE-9503504513 [2,0,0,0,0,0|2,0,0]=4 263 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O MCULE-5686565762 [2,0,0,0,0,0|2,0,0]=4 264 B13R1.351 NC(=O)C(N)CCC1=CC=CC=C1 MCULE-9732082867 [2,0,0,0,0,0|1,0,1]=4 265 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-5846714028 [2,0,0,0,0,0|0,0,1]=3 266 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6298102909 [2,0,0,0,0,0|0,0,1]=3 267 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6801867186 [2,0,0,0,0,0|0,0,1]=3 268 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O MCULE-3457547807 [2,0,0,0,0,0|1,0,1]=4 269 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O MCULE-8849197069 [2,0,0,0,0,0|1,0,1]=4 270 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O MCULE-3830291208 [2,0,0,0,0,0|1,0,1]=4 271 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O MCULE-7407312060 [2,0,0,0,0,0|1,0,1]=4 272 B13R1.351 NC(CNC1=CC=CC=C1)C(=O)O MCULE-6123987164 [2,0,0,0,0,0|1,0,0]=3 273 B13R1.351 NC(COC1=CC=CC=C1)C(=O)O MCULE-1983365366 [2,0,0,0,0,0|1,0,0]=3 274 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O MCULE-1203820662 [2,0,0,0,0,0|1,0,0]=3 275 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O MCULE-9787337080 [2,0,0,0,0,0|1,0,0]=3 276 B13R1.351 NC(CSC1=CC=NC=C1)C(=O)O MCULE-7653730988 [2,0,0,0,0,0|2,0,0]=4 277 B13R1.351 N[C@@H](/C=C/C1=CC=CC=C1)C(=O)O MCULE-2838025018 [2,0,0,0,0,0|0,0,1]=3 278 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-4559879821 [2,0,0,0,0,0|0,0,1]=3 279 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6703664755 [2,0,0,0,0,0|0,0,1]=3 280 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6919063042 [2,0,0,0,0,0|0,0,1]=3 281 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-8742414639 [2,0,0,0,0,0|0,0,1]=3 282 B13R1.351 N[C@@H](CNC1=CC=CC=C1)C(=O)O MCULE-8235847783 [2,0,0,0,0,0|1,0,0]=3 283 B13R1.351 N[C@@H](COC1=CC=CC=C1)C(=O)O MCULE-3653516384 [2,0,0,0,0,0|1,0,0]=3 284 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O MCULE-3064974464 [2,0,0,0,0,0|1,0,0]=3 285 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O MCULE-7600953452 [2,0,0,0,0,0|1,0,0]=3 286 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O MCULE-2645239845 [2,0,0,0,0,0|1,0,0]=3 287 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O MCULE-2650735200 [2,0,0,0,0,0|1,0,0]=3 288 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-4182463122 [2,0,0,0,0,0|0,0,1]=3 289 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-5087054270 [2,0,0,0,0,0|0,0,1]=3 290 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7679113471 [2,0,0,0,0,0|0,0,1]=3 291 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7791619414 [2,0,0,0,0,0|0,0,1]=3 292 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O MCULE-1181768450 [2,0,0,0,0,0|1,0,0]=3 293 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O MCULE-2658156823 [2,0,0,0,0,0|1,0,0]=3 294 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O MCULE-7999236192 [2,0,0,0,0,0|1,0,0]=3 295 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 MCULE-5292402211 [2,0,0,0,0,0|1,0,1]=4 296 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-4257585560 [2,0,0,0,0,0|1,0,1]=4 297 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-5664756838 [2,0,0,0,0,0|1,0,1]=4 298 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-5061224318 [2,0,0,0,0,0|1,0,1]=4 299 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-8347273271 [2,0,0,0,0,0|1,0,1]=4 300 B13R1.351 O=C(O)[C@H](O)C=CC1=CC=CC=C1 MCULE-3091019107 [2,0,0,0,0,0|1,0,1]=4 301 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-2268613096 [2,0,0,0,0,0|1,0,1]=4 302 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-9835086512 [2,0,0,0,0,0|1,0,1]=4 303 B15R1.86 CCC1=CC=CC=C1C(=O)CCC(=O)O MCULE-2828820186 [1,1,0,0,0,0|1,0,0]=3 304 B15R1.86 COC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-4905025368 [1,1,0,0,0,0|1,0,0]=3 305 B15R1.86 COC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-3790932369 [1,1,0,0,0,0|2,0,0]=4 306 B15R1.86 CSC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2263895939 [1,1,0,0,0,0|1,0,0]=3 307 B15R1.124 CC1=C(C(=CC=C1)C(=O)NCC(=O)O)C MCULE-6941805529 [1,1,0,0,0,0|2,0,0]=4 308 B15R1.124 CC1=C(C=CC=C1C(=O)CCC(=O)O)Cl MCULE-4712484330 [1,1,0,0,0,0|1,0,0]=3 309 B15R1.124 CC1=C(C=CC=C1F)C(=O)CCC(=O)O MCULE-6724474060 [1,1,0,0,0,0|1,0,0]=3 310 B15R1.124 CC1=CC=CC(=C1C)C(=O)CCC(=O)O MCULE-6393403526 [1,1,0,0,0,0|1,0,0]=3 311 B15R1.124 O=C(O)CCC(=O)C1=C(C(=CC=C1)F)F MCULE-1932522125 [1,1,0,0,0,0|1,0,0]=3 312 B15R1.124 O=C(O)CCC(=O)C1=CC=CC(=C1Cl)Cl MCULE-8339097599 [1,1,0,0,0,0|1,0,0]=3 313 B15R1.124 O=C(O)CNC(=O)C1=CC=CC(=C1Cl)Cl MCULE-5451226805 [1,1,0,0,0,0|2,0,0]=4 314 B15R1.124 O=C(O)CNC(=O)C1=CC=CC(=C1F)F MCULE-8839460610 [1,1,0,0,0,0|2,0,0]=4 315 B15R1.5815 COC(=O)CCC(=O)C1=C(C=CC=C1)C MCULE-1097276432 [1,1,0,0,0,0|1,0,0]=3 316 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1Cl MCULE-2127629479 [1,1,0,0,0,0|1,0,0]=3 317 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1F MCULE-7567452938 [1,1,0,0,0,0|1,0,0]=3 318 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1N MCULE-1803143526 [1,1,0,0,0,0|0,0,0]=2 319 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)Br MCULE-8467309796 [1,1,0,0,0,0|2,0,0]=4 320 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)C MCULE-2496825959 [1,1,0,0,0,0|2,0,0]=4 321 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)F MCULE-8275084306 [1,1,0,0,0,0|2,0,0]=4 322 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)O MCULE-8118889419 [1,1,0,0,0,0|2,0,0]=4 323 B15R1.5815 COC(=O)CNC(=O)C1=CC=CC=C1Cl MCULE-5391903848 [1,1,0,0,0,0|2,0,0]=4 324 B15R1.5815 COC(=O)COC(=O)C1=CC=CC=C1N MCULE-1010130696 [1,1,0,0,0,0|1,0,0]=3 325 B15R1.5822 CC1=C(C=CC(=C1)Br)C(=O)CCC(=O)O MCULE-3365320987 [1,1,0,0,0,0|1,0,0]=3 326 B15R1.5822 CC1=C(C=CC(=C1)Cl)C(=O)CCC(=O)O MCULE-9904729684 [1,1,0,0,0,0|1,0,0]=3 327 B15R1.5822 CC1=C(C=CC(=C1)F)C(=O)CCC(=O)O MCULE-7844028354 [1,1,0,0,0,0|1,0,0]=3 328 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)C MCULE-1217203099 [1,1,0,0,0,0|1,0,0]=3 329 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)O MCULE-2144936141 [1,1,0,0,0,0|1,0,0]=3 330 B15R1.5822 CC1=CC(=C(C=C1)C(=O)NCC(=O)O)C MCULE-4705141518 [1,1,0,0,0,0|2,0,0]=4 331 B15R1.5822 CC1=CC(=CC=C1C(=O)CCC(=O)O)O MCULE-8830180430 [1,1,0,0,0,0|1,0,0]=3 332 B15R1.5822 NC1=CC(=C(C=C1)C(=O)NCC(=O)O)Cl MCULE-9728589314 [1,1,0,0,0,0|2,0,0]=4 333 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-9161187984 [1,1,0,0,0,0|1,0,0]=3 334 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-3424416401 [1,1,0,0,0,0|1,0,0]=3 335 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)F MCULE-6392169917 [1,1,0,0,0,0|1,0,0]=3 336 B15R1.5822 O=C(O)CCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-9044267496 [1,1,0,0,0,0|1,0,0]=3 337 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)Cl MCULE-1796326683 [1,1,0,0,0,0|2,0,0]=4 338 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)F MCULE-6711985990 [1,1,0,0,0,0|2,0,0]=4 339 B15R1.5822 O=C(O)CNC(=O)C1=CC=C(C=C1Cl)Cl MCULE-1446047797 [1,1,0,0,0,0|2,0,0]=4 340 B15R1.5822 O=C(O)CNC(=O)C1=CC=C(C=C1F)Cl MCULE-5024817649 [1,1,0,0,0,0|2,0,0]=4 341 B15R1.8020 CC1=C(C=CC=C1)S(=O)(=O)CCC(=O)O MCULE-4943719900 [1,1,0,0,0,0|2,0,0]=4 342 B15R1.8020 NC1=C(C=CC=C1)S(=O)(=O)NCC(=O)O MCULE-8091861307 [1,1,0,0,0,0|2,0,0]=4 343 B15R1.8020 NC1=CC=CC=C1S(=O)(=O)NCC(=O)O MCULE-7394308777 [1,1,0,0,0,0|2,0,0]=4 344 B15R1.8020 O=C(O)CCS(=O)(=O)C1=C(C=CC=C1)Cl MCULE-8495260759 [1,1,0,0,0,0|2,0,0]=4 345 B15R1.8020 O=C(O)CCS(=O)(=O)C1=C(C=CC=C1)F MCULE-8833251225 [1,1,0,0,0,0|2,0,0]=4 346 B15R1.8312 CC1=CC=CC(=C1C(=O)NCC(=O)O)C MCULE-7700143088 [1,1,0,0,0,0|2,0,0]=4 347 B15R1.8312 O=C(O)CCC(=O)C1=C(C=CC=C1F)Cl MCULE-7978441645 [1,1,0,0,0,0|1,0,0]=3 348 B15R1.8312 O=C(O)CCC(=O)C1=C(C=CC=C1F)F MCULE-5316640474 [1,1,0,0,0,0|1,0,0]=3 349 B15R1.8312 O=C(O)CNC(=O)C1=C(C=CC=C1F)Cl MCULE-3019496564 [1,1,0,0,0,0|2,0,0]=4 350 B15R1.8312 O=C(O)CNC(=O)C1=C(C=CC=C1F)F MCULE-5403245119 [1,1,0,0,0,0|2,0,0]=4 351 B15R1.8420 CC1=C(C=C(C=C1)F)C(=O)CCC(=O)O MCULE-3379843819 [1,1,0,0,0,0|1,0,0]=3 352 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O MCULE-9528888610 [1,1,0,0,0,0|1,0,0]=3 353 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)NCC(=O)O MCULE-1892994704 [1,1,0,0,0,0|2,0,0]=4 354 B15R1.8420 CC1=CC(=C(C=C1)O)C(=O)CCC(=O)O MCULE-3125812363 [1,1,0,0,0,0|1,0,0]=3 355 B15R1.8420 CC1=CC=C(C=C1C(=O)CCC(=O)O)Cl MCULE-8066300435 [1,1,0,0,0,0|1,0,0]=3 356 B15R1.8420 NC1=CC(=C(C=C1)Cl)C(=O)NCC(=O)O MCULE-3839576032 [1,1,0,0,0,0|2,0,0]=4 357 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-8344112034 [1,1,0,0,0,0|1,0,0]=3 358 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)Cl)O MCULE-6833605014 [1,1,0,0,0,0|1,0,0]=3 359 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)F)F MCULE-3284798502 [1,1,0,0,0,0|1,0,0]=3 360 B15R1.8420 O=C(O)CNC(=O)C1=C(C=CC(=C1)Br)O MCULE-3612586224 [1,1,0,0,0,0|2,0,0]=4 361 B15R1.8420 O=C(O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-8785487925 [1,1,0,0,0,0|2,0,0]=4 362 B15R1.8420 O=C(O)CNC(=O)C1=C(C=CC(=C1)I)Cl MCULE-3996507713 [1,1,0,0,0,0|2,0,0]=4 363 B15R1.8420 O=C(O)CNC(=O)C1=CC(=CC=C1O)O MCULE-7568951474 [1,1,0,0,0,0|2,0,0]=4 364 B15R1.87 COC1=CC=CC=C1CCC(N)C(=O)O MCULE-7903292913 [1,1,0,0,0,0|1,0,1]=4 365 B15R1.87 COC1=CC=CC=C1CC[C@@H](N)C(=O)O MCULE-2850635074 [1,1,0,0,0,0|1,0,1]=4 366 B15R1.87 COC1=CC=CC=C1CC[C@H](N)C(=O)O MCULE-3854583154 [1,1,0,0,0,0|1,0,1]=4 367 B15R1.5337 CNC(CCC1=C(C=CC=C1)Cl)C(=O)O MCULE-5661915916 [1,1,0,0,0,0|1,0,1]=4 368 B15R1.5823 N[C@@H](CCC1=CC=C(C=C1F)F)C(=O)O MCULE-1922300296 [1,1,0,0,0,0|1,0,1]=4 369 B15R1.5823 N[C@H](CCC1=CC=C(C=C1F)F)C(=O)O MCULE-9937088021 [1,1,0,0,0,0|1,0,1]=4 370 B15R1.8275 N[C@@H](CCC1=CC=CC(=C1F)F)C(=O)O MCULE-2359883652 [1,1,0,0,0,0|1,0,1]=4 371 B15R1.8422 N[C@H](CCC1=CC(=CC=C1F)F)C(=O)O MCULE-5423228049 [1,1,0,0,0,0|1,0,1]=4 372 B15R1.524 CC[C@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-9876661274 [1,1,0,0,0,0|2,0,0]=4 373 B15R1.524 O=C(NC(CO)C(=O)O)C1=CC=CC=C1 MCULE-4029315755 [1,1,0,0,0,0|2,0,0]=4 374 B15R1.881 C=C(CC(=O)C1=CC=C(C=C1)C)C(=O)O MCULE-4896817843 [1,1,0,0,0,0|1,0,1]=4 375 B15R1.881 CC(CC(=O)C1=CC=C(C=C1)Cl)C(=O)O MCULE-7143047529 [1,1,0,0,0,0|1,0,0]=3 376 B15R1.881 CC(CC(=O)C1=CC=C(C=C1)F)C(=O)O MCULE-3594345162 [1,1,0,0,0,0|1,0,0]=3 377 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)Br)C(=O)O MCULE-7508923759 [1,1,0,0,0,0|2,0,0]=4 378 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)Cl)C(=O)O MCULE-9436670033 [1,1,0,0,0,0|2,0,0]=4 379 B15R1.881 CC(NC(=O)C1=CC=C(C=C1)F)C(=O)O MCULE-7242183640 [1,1,0,0,0,0|2,0,0]=4 380 B15R1.881 CC1=CC=C(C=C1)C(=O)CC(N)C(=O)O MCULE-2950308722 [1,1,0,0,0,0|0,0,0]=2 381 B15R1.881 CC1=CC=C(C=C1)C(=O)NC(C)C(=O)O MCULE-9059881719 [1,1,0,0,0,0|2,0,0]=4 382 B15R1.881 O=C(O)C(=O)CC(=O)C1=CC=C(C=C1)Cl MCULE-8058501872 [1,1,0,0,0,0|1,0,1]=4 383 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 MCULE-5236692657 [1,1,0,0,0,0|1,0,1]=4 384 B15R1.947 COC(=O)C(C)CC(=O)C1=CC=CC=C1 MCULE-5903331309 [1,1,0,0,0,0|1,0,0]=3 385 B15R1.947 COC(=O)C(C)NC(=O)C1=CC=CC=C1 MCULE-7394772534 [1,1,0,0,0,0|2,0,0]=4 386 B15R1.947 COC(=O)[C@@H](C)OC(=O)C1=CC=CC=C1 MCULE-7947657289 [1,1,0,0,0,0|2,0,0]=4 387 B15R1.947 COC(=O)[C@H](C)NC(=O)C1=CC=CC=C1 MCULE-8409247177 [1,1,0,0,0,0|2,0,0]=4 388 B15R1.947 O=C(CC(=O)C1=CC=CC=C1)C(=O)NO MCULE-7320188861 [1,1,0,0,0,0|1,0,1]=4 389 B15R1.947 [C@@H](C)(NC(=O)C1=CC=CC=C1)C(=O)OC MCULE-2132331350 [1,1,0,0,0,0|2,0,0]=4 390 B15R1.8272 CC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O MCULE-4370609376 [1,1,0,0,0,0|1,0,0]=3 391 B15R1.8272 CC(CC(=O)C1=CC(=CC=C1)F)C(=O)O MCULE-1983344016 [1,1,0,0,0,0|1,0,0]=3 392 B15R1.8272 CC(CC(=O)C1=CC=CC(=C1)Cl)C(=O)O MCULE-8081806420 [1,1,0,0,0,0|1,0,0]=3 393 B15R1.8272 CC(CC(=O)C1=CC=CC(=C1)N)C(=O)O MCULE-8345759633 [1,1,0,0,0,0|1,0,0]=3 394 B15R1.8272 CC(NC(=O)C1=CC(=CC=C1)Cl)C(=O)O MCULE-6775789751 [1,1,0,0,0,0|2,0,0]=4 395 B15R1.8272 CC(NC(=O)C1=CC(=CC=C1)F)C(=O)O MCULE-5331667381 [1,1,0,0,0,0|2,0,0]=4 396 B15R1.8272 CC1=CC=CC(=C1)C(=O)NC(C)C(=O)O MCULE-3247642534 [1,1,0,0,0,0|2,0,0]=4 397 B15R1.8272 NC(CC(=O)C1=CC=CC(=C1)O)C(=O)O MCULE-3368911420 [1,1,0,0,0,0|0,0,0]=2 398 B15R1.8272 NC(CC(O)C1=CC(=CC=C1)O)C(=O)O MCULE-2261641707 [1,1,0,0,0,0|0,0,2]=4 399 B15R1.8272 NC(CC(O)C1=CC=CC(=C1)O)C(=O)O MCULE-9822299439 [1,1,0,0,0,0|0,0,2]=4 400 B15R1.9011 CC(C)(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-3778992670 [1,1,0,0,0,0|1,0,0]=3 401 B15R1.9011 CC(C)(NC(=O)C1=CC=CC=C1)C(=O)O MCULE-7553120826 [1,1,0,0,0,0|2,0,0]=4 402 B15R1.9011 CC(C)(OC(=O)C1=CC=CC=C1)C(=O)O MCULE-3344434241 [1,1,0,0,0,0|2,0,0]=4 403 B15R1.9011 CC(O)(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8103749129 [1,1,0,0,0,0|1,0,0]=3 404 B15R1.3081 CCC(C(=O)O)C(=O)C1=CC=CC=C1I MCULE-8835096278 [0,1,0,0,1,0|2,0,0]=4 405 B17R1.8995 CC1=CC=CC=C1NC(=O)C(O)C(O)C(=O)O MCULE-7786250020 [0,1,0,0,0,1|2,0,0]=4 406 B17R1.8995 O=C(O)C(O)C(O)C(=O)NC1=CC=CC=C1Cl MCULE-3670068803 [0,1,0,0,0,1|2,0,0]=4 407 B17R1.8995 O=C(O)[C@@H](O)[C@H](O)C(=O)NC1=CC=CC=C1Cl MCULE-3120789506 [0,1,0,0,0,1|2,0,0]=4 408 B17R1.8995 O=C(O)[C@@H](O)[C@H](O)C(=O)NC1=CC=CC=C1Cl MCULE-9707729726 [0,1,0,0,0,1|2,0,0]=4 409 B17R1.8995 O=C(O)[C@@H](O)[C@H](O)C(=O)NC1=CC=CC=C1I MCULE-4743476184 [0,1,0,0,0,1|2,0,0]=4 410 B17R1.8995 O=C(O)[C@H](O)[C@@H](O)C(=O)NC1=CC=CC=C1Cl MCULE-8224700193 [0,1,0,0,0,1|2,0,0]=4 411 B17R1.14625 CC1=CC(=C(C=C1)NC(=O)NC(C)C(=O)O)N MCULE-6253599100 [0,1,0,0,0,1|2,0,0]=4 412 B17R1.6602 CCC1=CC=CC=C1C(=O)CC(C)CC(=O)O MCULE-5471293425 [0,1,0,0,0,1|2,0,0]=4 413 B17R1.6602 COC1=CC=CC=C1C(=O)CC(C)CC(=O)O MCULE-4245148947 [0,1,0,0,0,1|2,0,0]=4 414 B17R1.6602 CSC1=C(C=CC=C1)C(=O)CC(C)CC(=O)O MCULE-9029079784 [0,1,0,0,0,1|2,0,0]=4 415 B17R1.8854 CC1=C(C=CC=C1C(=O)CC(C)CC(=O)O)Cl MCULE-6466921334 [0,1,0,0,0,1|2,0,0]=4 416 B17R1.8854 CC1=C(C=CC=C1F)C(=O)CC(C)CC(=O)O MCULE-6485454822 [0,1,0,0,0,1|2,0,0]=4 417 B17R1.8854 CC1=CC=CC(=C1C)C(=O)CC(C)CC(=O)O MCULE-7155262321 [0,1,0,0,0,1|2,0,0]=4 418 B17R1.9070 CC1=C(C=CC(=C1)Cl)C(=O)CC(C)CC(=O)O MCULE-6059818598 [0,1,0,0,0,1|2,0,0]=4 419 B17R1.9070 CC1=CC(=C(C=C1)C(=O)CC(C)CC(=O)O)C MCULE-8731878261 [0,1,0,0,0,1|2,0,0]=4 420 B17R1.9070 CC1=CC(=CC=C1C(=O)CC(C)CC(=O)O)F MCULE-5731343665 [0,1,0,0,0,1|2,0,0]=4 421 B17R1.9082 CC1=C(C=C(C=C1)F)C(=O)CC(C)CC(=O)O MCULE-4502661873 [0,1,0,0,0,1|2,0,0]=4 422 B17R1.9082 CC1=CC(=C(C=C1)C)C(=O)CC(C)CC(=O)O MCULE-5942314182 [0,1,0,0,0,1|2,0,0]=4 423 B17R1.9082 CC1=CC=C(C=C1C(=O)CC(C)CC(=O)O)Cl MCULE-6312815029 [0,1,0,0,0,1|2,0,0]=4 424 B17R1.65739 CC1=CC=CC=C1C(=O)CC(C)(C)CC(=O)O MCULE-7160943272 [0,1,0,0,0,1|2,0,0]=4 425 B17R1.76322 CC1=CC=CC(=C1C(=O)CC(C)CC(=O)O)C MCULE-4476533647 [0,1,0,0,0,1|2,0,0]=4 426 B17R1.18072 NC(CC(=O)C1=CC=CC=C1NC=O)C(=O)O MCULE-6643385353 [0,2,0,0,0,0|0,0,0]=2 427 B17R1.18072 N[C@@H](CC(=O)C1=CC=CC=C1NC=O)C(=O)O MCULE-2388086454 [0,2,0,0,0,0|0,0,0]=2 428 B17R1.18072 N[C@@H](CC(=O)C1=CC=CC=C1NC=O)C(=O)O MCULE-8559919012 [0,2,0,0,0,0|0,0,0]=2 429 B17R1.49022 COC1=C(C=CC=C1)C(=O)CC(C)(C)C(=O)O MCULE-6847530103 [0,2,0,0,0,0|2,0,0]=4 430 B17R1.49022 CSC1=C(C=CC=C1)C(=O)CC(C)(C)C(=O)O MCULE-5739878561 [0,2,0,0,0,0|2,0,0]=4 431 B17R1.64054 CC1=C(C=CC=C1F)C(=O)CC(C)(C)C(=O)O MCULE-6365738111 [0,2,0,0,0,0|2,0,0]=4 432 B17R1.64054 CC1=CC=CC(=C1C)C(=O)CC(C)(C)C(=O)O MCULE-1391500757 [0,2,0,0,0,0|2,0,0]=4 433 B17R1.65989 CC1=C(C=CC(=C1)Cl)C(=O)CC(C)(C)C(=O)O MCULE-2699546019 [0,2,0,0,0,0|2,0,0]=4 434 B17R1.65989 CC1=CC(=C(C=C1)C(=O)CC(C)(C)C(=O)O)C MCULE-9956988633 [0,2,0,0,0,0|2,0,0]=4 435 B17R1.96666 CC1=C(C=C(C=C1)F)C(=O)CC(C)(C)C(=O)O MCULE-8332002584 [0,2,0,0,0,0|2,0,0]=4 436 B17R1.96666 CC1=CC(=C(C=C1)C)C(=O)CC(C)(C)C(=O)O MCULE-9491637643 [0,2,0,0,0,0|2,0,0]=4 437 B17R1.21342 CCOC(=O)C(C)NC(=O)C1=C(C=CC=C1)N MCULE-8894508242 [0,2,0,0,0,0|2,0,0]=4 438 B17R1.95776 CC1=CC=CC(=C1C(=O)CC(C)(C)C(=O)O)C MCULE-5744306303 [0,2,0,0,0,0|2,0,0]=4 439 B15R1.3675 NC(CC(=O)NC1=CC=CC=C1)C(=O)O MCULE-8452866573 [0,0,1,1,0,0|2,0,0]=4 440 B15R1.8875 NC(=O)C1=C(C=CC=C1)CC(N)C(=O)O MCULE-3218211077 [0,0,1,1,0,0|2,0,0]=4 441 B15R1.8875 NC(=O)C1=C(C=CC=C1)C[C@H](N)C(=O)O MCULE-5761387423 [0,0,1,1,0,0|2,0,0]=4 442 B15R1.8875 NC(=O)C1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-4182337665 [0,0,1,1,0,0|2,0,0]=4 443 B15R1.8875 NC(=O)C1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-6212173801 [0,0,1,1,0,0|2,0,0]=4 444 B15R1.8875 NC(=O)C1=CC=CC=C1C[C@H](N)C(=O)O MCULE-2252853059 [0,0,1,1,0,0|2,0,0]=4 445 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [1,0,0,1,0,0|2,0,0]=4 446 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [1,0,0,1,0,0|2,0,0]=4 447 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [1,0,0,1,0,0|1,0,0]=3 448 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [1,0,0,1,0,0|2,0,0]=4 449 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [1,0,0,1,0,0|2,0,0]=4 450 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MCULE-2665228438 [1,0,0,1,0,0|2,0,0]=4 451 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [1,0,0,1,0,0|1,0,1]=4 452 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [1,0,0,1,0,0|2,0,0]=4 453 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [1,0,0,1,0,0|2,0,0]=4 454 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 MCULE-1402715967 [1,0,0,1,0,0|1,0,0]=3 455 B15R2.629 O=C(O)CN1CC2=C(C1=O)C=CC=C2 MCULE-2296148847 [1,0,0,1,0,0|2,0,0]=4 456 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O MCULE-9472624821 [1,0,0,1,0,0|1,0,0]=3 457 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O MCULE-3963413972 [1,0,0,1,0,0|2,0,0]=4 458 B15R2.14951 O=C(O)C1=CC(=O)C2=C(N1)C=CC=C2 MCULE-4310803796 [1,0,0,1,0,0|0,0,2]=4 459 B15R2.14951 O=C1CC(CC2=CC=CC=C12)C(=O)O MCULE-9167871622 [1,0,0,1,0,0|1,0,0]=3 460 B15R2.14951 O=C1CC(NC2=C1C=CC=C2)C(=O)O MCULE-4668772511 [1,0,0,1,0,0|0,0,0]=2 461 B15R2.14951 O=C1CC(OC2=CC=CC=C12)C(=O)O MCULE-4926347738 [1,0,0,1,0,0|1,0,0]=3 462 B15R2.14951 O=C1CC(SC2=CC=CC=C12)C(=O)O MCULE-1467187532 [1,0,0,1,0,0|1,0,0]=3 463 B15R2.14951 O=C1C[C@H](CC2=C1C=CC=C2)C(=O)O MCULE-4882614324 [1,0,0,1,0,0|1,0,0]=3 464 B15R2.14951 O=C1NC(CC2=CC=CC=C12)C(=O)O MCULE-8729946381 [1,0,0,1,0,0|2,0,0]=4 465 B15R2.14951 O=C1OC(CC2=C1C=CC=C2)C(=O)O MCULE-6471951001 [1,0,0,1,0,0|2,0,0]=4 466 B15R2.4244 NC(C(=O)O)C1CC2=CC=CC=C2C1 MCULE-4702520665 [1,0,0,1,0,0|1,0,1]=4 467 B15R2.4244 N[C@@H](C(=O)O)C1CC2=C(C1)C=CC=C2 MCULE-3120292567 [1,0,0,1,0,0|1,0,1]=4 468 B15R2.4244 N[C@@H](C(=O)O)C1CC2=C(C1)C=CC=C2 MCULE-4596161714 [1,0,0,1,0,0|1,0,1]=4 469 B15R2.4244 N[C@H](C(=O)O)C1CC2=C(C1)C=CC=C2 MCULE-1457520478 [1,0,0,1,0,0|1,0,1]=4 470 B15R2.4244 N[C@H](C(=O)O)C1CC2=C(C1)C=CC=C2 MCULE-4624846039 [1,0,0,1,0,0|1,0,1]=4 471 B15R2.7471 CC1=C(C=CC=C1)C2CC2(N)C(=O)O MCULE-7673552087 [1,0,0,1,0,0|1,0,1]=4 472 B15R2.7471 NC1(CC1C2=C(C=CC=C2)Br)C(=O)O MCULE-9366834236 [1,0,0,1,0,0|1,0,1]=4 473 B15R2.7471 NC1(CC1C2=C(C=CC=C2)Cl)C(=O)O MCULE-2345671379 [1,0,0,1,0,0|1,0,1]=4 474 B15R2.7471 NC1(CC1C2=C(C=CC=C2)F)C(=O)O MCULE-7496579644 [1,0,0,1,0,0|1,0,1]=4 475 B15R2.13598 NC1=C2OCC(CC2=CC=C1)C(=O)O MCULE-3769781331 [1,0,0,1,0,0|2,0,0]=4 476 B15R2.13613 NC1(CCC2=C(C=CC=C12)F)C(=O)O MCULE-9274584884 [1,0,0,1,0,0|1,0,1]=4 477 B15R2.16121 NC1(CCC2=C(C1)C=CC=C2)C(=O)O MCULE-6880175781 [1,0,0,1,0,0|1,0,1]=4 478 B15R2.16121 NC1(CCC2=CC=CC=C2C1)C(=O)O MCULE-8590111968 [1,0,0,1,0,0|1,0,1]=4 479 B15R2.16121 NC1(COC2=C(C1)C=CC=C2)C(=O)O MCULE-6113686451 [1,0,0,1,0,0|2,0,0]=4 480 B15R2.16121 N[C@@]1(CCC2=CC=CC=C2C1)C(=O)O MCULE-7641551471 [1,0,0,1,0,0|1,0,1]=4 481 B15R2.16121 N[C@]1(CCC2=C(C1)C=CC=C2)C(=O)O MCULE-5342686436 [1,0,0,1,0,0|1,0,1]=4 482 B15R2.59 O=C(O)C1CC(=NO1)C2=CC=CC=C2 MCULE-8141165068 [1,0,0,1,0,0|2,0,0]=4 483 B15R2.59 O=C(O)C1CC(CN1)C2=CC=CC=C2 MCULE-3453710897 [1,0,0,1,0,0|1,0,1]=4 484 B15R2.59 O=C(O)C1CC(CN1)C2=CC=CC=C2 MCULE-5422160743 [1,0,0,1,0,0|1,0,1]=4 485 B15R2.59 O=C(O)[C@@H]1C[C@@H](CN1)C2=CC=CC=C2 MCULE-2647912046 [1,0,0,1,0,0|1,0,1]=4 486 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-5551904396 [1,0,0,1,0,0|1,0,1]=4 487 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-5884523157 [1,0,0,1,0,0|1,0,1]=4 488 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-6862402655 [1,0,0,1,0,0|1,0,1]=4 489 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-9874544463 [1,0,0,1,0,0|1,0,1]=4 490 B15R2.59 O=C(O)[C@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-9584247807 [1,0,0,1,0,0|1,0,1]=4 491 B15R2.59 [C@H]1(C[C@@H](CN1)C2=CC=CC=C2)C(=O)O MCULE-3974212859 [1,0,0,1,0,0|1,0,1]=4 492 B15R2.94 NC1CC(=NNC1=O)C2=CC=CC=C2 MCULE-8690890822 [1,0,0,1,0,0|2,0,0]=4 493 B15R2.316 CC1CP(=O)(OC1=O)C2=CC=CC=C2 MCULE-8953126435 [1,0,0,1,0,0|2,0,0]=4 494 B15R2.4232 NC(C(=O)O)C1CC1C2=CC=CC=C2 MCULE-3983912298 [1,0,0,1,0,0|1,0,1]=4 495 B15R2.13167 N[C@H]1CC(=O)C2=CC=CC=C2NC1=O MCULE-1432559551 [1,0,0,1,0,0|1,0,0]=3 496 B15R2.16289 O=C(C1=CC=CC=C1)[C@H]2C[C@H]2C(=O)O MCULE-4475973224 [1,0,0,1,0,0|1,0,0]=3 497 B15R2.16289 O=C(O)C1CC1C(=O)C2=CC=CC=C2 MCULE-3100954480 [1,0,0,1,0,0|1,0,0]=3 498 B15R2.16289 O=C(O)[C@H]1C[C@@H]1C(=O)C2=CC=CC=C2 MCULE-3006540167 [1,0,0,1,0,0|1,0,0]=3 499 B15R2.16373 C[C@@]1(C[C@@]1(N)C(=O)O)C2=CC=CC=C2 MCULE-8457448460 [1,0,0,1,0,0|1,0,1]=4 500 B15R2.16373 C[C@@]1(C[C@@]1(N)C(=O)O)C2=CC=CC=C2 MCULE-9121905513 [1,0,0,1,0,0|1,0,1]=4 501 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4101569242 [1,0,0,1,0,0|1,0,1]=4 502 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4419819481 [1,0,0,1,0,0|1,0,1]=4 503 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-8757853264 [1,0,0,1,0,0|1,0,1]=4 504 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-5057169498 [1,0,0,1,0,0|1,0,1]=4 505 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-6263792283 [1,0,0,1,0,0|1,0,1]=4 506 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-7147570312 [1,0,0,1,0,0|1,0,1]=4 507 B15R2.4 N[C@@H](CO)CC1=CNC2=CC=CC=C12 MCULE-9591598328 [1,0,0,1,0,0|1,0,1]=4 508 B15R2.4 N[C@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-1258780591 [1,0,0,1,0,0|1,0,1]=4 509 B15R2.4 [C@@H](N)(CO)CC1=CNC2=C1C=CC=C2 MCULE-7424777740 [1,0,0,1,0,0|1,0,1]=4 510 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O MCULE-3297956272 [0,0,0,1,1,0|1,0,1]=4 511 B15R2.627 O=C(O)C1=NNC2=C(C1=O)C=CC=C2 MCULE-3032716103 [0,0,0,1,1,0|0,0,2]=4 512 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-5090588064 [0,0,0,1,1,0|2,0,0]=4 513 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-8006798471 [0,0,0,1,1,0|2,0,0]=4 514 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-3418323043 [0,0,0,1,1,0|1,0,0]=3 515 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=N2 MCULE-6611768328 [0,0,0,1,1,0|2,0,0]=4 516 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2652998695 [0,0,0,1,1,0|1,0,0]=3 517 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C12 MCULE-9368537487 [0,0,0,1,1,0|1,0,0]=3 518 B17R2.3946 CC1=C(C=CC=C1)N2CC(CC2=O)C(=O)O MCULE-3669127855 [0,0,0,1,0,1|2,0,0]=4 519 B17R2.3946 O=C(O)C1CC(=O)N(C1)C2=C(C=CC=C2)Br MCULE-8502815802 [0,0,0,1,0,1|2,0,0]=4 520 B17R2.3946 O=C(O)C1CC(=O)N(C1)C2=C(C=CC=C2)Cl MCULE-3470689335 [0,0,0,1,0,1|2,0,0]=4 521 B17R2.3946 O=C(O)C1CC(=O)N(C1)C2=C(C=CC=C2)F MCULE-3235993764 [0,0,0,1,0,1|2,0,0]=4 522 B17R2.3946 O=C(O)C1CC(=O)N(C1)C2=C(C=CC=C2)O MCULE-9874990231 [0,0,0,1,0,1|2,0,0]=4 523 B17R2.5005 CC(C(=O)O)C1NC2=C(C=CC=C2)NC1=O MCULE-9247893421 [0,0,0,1,0,1|1,0,0]=3 524 B17R2.5005 CC(C(=O)O)C1SC2=C(C=CC=C2)NC1=O MCULE-9845799794 [0,0,0,1,0,1|2,0,0]=4 525 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-6952461288 [0,0,0,1,0,1|2,0,0]=4 526 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-9711104731 [0,0,0,1,0,1|2,0,0]=4 527 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6903330528 [0,0,0,1,0,1|2,0,0]=4 528 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7107565830 [0,0,0,1,0,1|2,0,0]=4 529 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-8062406666 [0,0,0,1,0,1|2,0,0]=4 530 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-4097504210 [0,0,0,1,0,1|2,0,0]=4 531 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5929822596 [0,0,0,1,0,1|2,0,0]=4 532 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6838251171 [0,0,0,1,0,1|2,0,0]=4 533 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7044608619 [0,0,0,1,0,1|2,0,0]=4 534 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3308554372 [0,0,0,1,0,1|2,0,0]=4 535 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5015802007 [0,0,0,1,0,1|2,0,0]=4 536 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-7964984777 [0,0,0,1,0,1|2,0,0]=4 537 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-9822109349 [0,0,0,1,0,1|2,0,0]=4 538 B17R2.9167 N[C@@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-2235392937 [0,0,0,1,0,1|2,0,0]=4 539 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1713629999 [0,0,0,1,0,1|2,0,0]=4 540 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-6228267929 [0,0,0,1,0,1|2,0,0]=4 541 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-5020668122 [0,0,0,1,0,1|2,0,0]=4 542 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-9553125479 [0,0,0,1,0,1|2,0,0]=4 543 B17R2.9167 N[C@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3603574921 [0,0,0,1,0,1|2,0,0]=4 544 B17R2.9167 N[C@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-3393121490 [0,0,0,1,0,1|2,0,0]=4 545 B17R2.156386 O=C(O)C1CC1C(=O)NC2=C(C=CC=C2)F MCULE-6226217946 [0,0,0,1,0,1|2,0,0]=4 546 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [0,0,0,1,0,1|1,0,0]=3 547 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [0,0,0,1,0,1|1,0,0]=3 548 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-5115224173 [0,0,0,1,0,1|2,0,0]=4 549 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-9379962356 [0,0,0,1,0,1|2,0,0]=4 550 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [0,0,0,1,0,1|1,0,0]=3 551 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [0,0,0,1,0,1|1,0,0]=3 552 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [0,0,0,1,0,1|1,0,0]=3 553 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [0,0,0,1,0,1|1,0,0]=3 554 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-2867145195 [0,0,0,1,0,1|2,0,0]=4 555 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-6646879167 [0,0,0,1,0,1|2,0,0]=4 556 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3636493320 [0,0,0,1,0,1|2,0,0]=4 557 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-7630794072 [0,0,0,1,0,1|2,0,0]=4 558 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [0,0,0,1,0,1|1,0,0]=3 559 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [0,0,0,1,0,1|1,0,0]=3 560 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [0,0,0,1,0,1|1,0,0]=3 561 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [0,0,0,1,0,1|1,0,0]=3 562 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-1597107796 [0,0,0,1,0,1|2,0,0]=4 563 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-3864990170 [0,0,0,1,0,1|2,0,0]=4 564 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3053632532 [0,0,0,1,0,1|2,0,0]=4 565 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-4953969691 [0,0,0,1,0,1|2,0,0]=4 566 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [0,0,0,1,0,1|1,0,0]=3 567 B17R2.26374 CC1=C(SC2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-3571862074 [0,0,0,1,0,1|2,0,0]=4 568 B17R2.156312 O=C(O)C1CN(C1)C(=O)C2=C(C=CC=C2)F MCULE-5620182713 [0,0,0,1,0,1|2,0,0]=4 569 B17R2.289 CNC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7141702170 [0,1,0,1,0,0|1,0,0]=3 570 B17R2.289 CN[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8843389672 [0,1,0,1,0,0|1,0,0]=3 571 B17R2.289 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-5394077858 [0,1,0,1,0,0|1,0,0]=3 572 B17R2.78536 C(N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-1625887826 [0,1,0,1,0,0|1,0,0]=3 573 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@@H](N)C(=O)O MCULE-1710860862 [0,1,0,1,0,0|1,0,0]=3 574 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-4599117696 [0,1,0,1,0,0|1,0,0]=3 575 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-6954327922 [0,1,0,1,0,0|1,0,0]=3 576 B17R2.78536 [C@@H](N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-5120236173 [0,1,0,1,0,0|1,0,0]=3 577 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1682014366 [0,1,0,1,0,0|2,0,0]=4 578 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7621787279 [0,1,0,1,0,0|2,0,0]=4 579 B17R2.520754 NC(CC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-4033199506 [0,1,0,1,0,0|2,0,0]=4 580 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-2185623458 [0,1,0,1,0,0|1,0,1]=4 581 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-4349632846 [0,1,0,1,0,0|1,0,1]=4 582 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4205242976 [0,1,0,1,0,0|2,0,0]=4 583 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4718361306 [0,1,0,1,0,0|2,0,0]=4 584 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7852162590 [0,1,0,1,0,0|2,0,0]=4 585 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8754238893 [0,1,0,1,0,0|2,0,0]=4 586 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3259277930 [0,1,0,1,0,0|1,0,1]=4 587 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6271768059 [0,1,0,1,0,0|1,0,1]=4 588 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6636488216 [0,1,0,1,0,0|1,0,1]=4 589 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6922954844 [0,1,0,1,0,0|1,0,1]=4 590 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2667281684 [0,1,0,1,0,0|2,0,0]=4 591 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4503526156 [0,1,0,1,0,0|2,0,0]=4 592 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8782361400 [0,1,0,1,0,0|2,0,0]=4 593 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-9955614853 [0,1,0,1,0,0|2,0,0]=4 594 B17R2.520754 N[C@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3795682049 [0,1,0,1,0,0|1,0,1]=4 595 B17R2.45515 CC(C1=CNC2=C1C=CC=C2)C(O)C(=O)O MCULE-6640012615 [0,1,0,1,0,0|2,0,0]=4 596 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3164724457 [0,1,0,1,0,0|1,0,0]=3 597 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3535314200 [0,1,0,1,0,0|1,0,0]=3 598 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@@H](N)C(=O)O MCULE-2917178207 [0,1,0,1,0,0|1,0,0]=3 599 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-2282796001 [0,1,0,1,0,0|1,0,0]=3 600 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-7459867675 [0,1,0,1,0,0|1,0,0]=3 601 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6596607370 [0,1,0,1,0,0|1,0,0]=3 602 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-4785714748 [0,1,0,1,0,0|1,0,0]=3 603 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-7551772366 [0,1,0,1,0,0|1,0,0]=3 604 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-2444975774 [0,1,0,1,0,0|1,0,0]=3 605 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-1850008985 [0,1,0,1,0,0|1,0,0]=3 606 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-4657811205 [0,1,0,1,0,0|1,0,0]=3 607 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2O)C(=O)O MCULE-3480630187 [0,1,0,1,0,0|1,0,0]=3 608 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-2706903351 [0,1,0,1,0,0|1,0,0]=3 609 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6965964776 [0,1,0,1,0,0|1,0,0]=3 610 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-3378344305 [0,1,0,1,0,0|1,0,0]=3 611 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3743607795 [0,1,0,1,0,0|1,0,0]=3 612 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-9761111560 [0,1,0,1,0,0|1,0,0]=3 613 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2F)C(=O)O MCULE-1137381744 [0,1,0,1,0,0|1,0,0]=3 614 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-3304468746 [0,1,0,1,0,0|1,0,0]=3 615 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6816615537 [0,1,0,1,0,0|1,0,0]=3 616 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-1537250123 [0,1,0,1,0,0|1,0,0]=3 617 B17R2.37147 N[C@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3664115172 [0,1,0,1,0,0|1,0,0]=3 618 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-9937852409 [0,1,0,1,0,0|1,0,0]=3 619 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-1824211633 [0,1,0,1,0,0|1,0,0]=3 620 B17R2.3450 CC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-4659596714 [0,1,0,1,0,0|1,0,0]=3 621 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-6605711747 [0,1,0,1,0,0|1,0,0]=3 622 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-2906491763 [0,1,0,1,0,0|1,0,0]=3 623 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-1286010028 [0,1,0,1,0,0|1,0,0]=3 624 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-8867932631 [0,1,0,1,0,0|1,0,0]=3 625 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-1940415794 [0,1,0,1,0,0|1,0,0]=3 626 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-7527258915 [0,1,0,1,0,0|1,0,0]=3 627 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-4976314095 [0,1,0,1,0,0|1,0,0]=3 628 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-7358605304 [0,1,0,1,0,0|1,0,0]=3 629 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-6992128303 [0,1,0,1,0,0|1,0,0]=3 630 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-7013255700 [0,1,0,1,0,0|1,0,0]=3 631 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-5715446634 [0,1,0,1,0,0|1,0,0]=3 632 B17R2.3450 N[C@@H](CC1=CNC2=CC(=CC=C12)O)C(=O)O MCULE-8633803305 [0,1,0,1,0,0|1,0,0]=3 633 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-3985180412 [0,1,0,1,0,0|1,0,0]=3 634 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-5384453816 [0,1,0,1,0,0|1,0,0]=3 635 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-5639441116 [0,1,0,1,0,0|1,0,0]=3 636 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-3546576587 [0,1,0,1,0,0|1,0,0]=3 637 B17R2.3450 N[C@H](CC1=CNC2=CC(=CC=C12)Cl)C(=O)O MCULE-1070734277 [0,1,0,1,0,0|1,0,0]=3 638 B17R2.25461 CC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-3634656065 [0,1,0,1,0,0|2,0,0]=4 639 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-2443598072 [0,1,0,1,0,0|1,0,0]=3 640 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7738289225 [0,1,0,1,0,0|1,0,0]=3 641 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-9418864808 [0,1,0,1,0,0|1,0,0]=3 642 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1225448414 [0,1,0,1,0,0|1,0,0]=3 643 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-2949078767 [0,1,0,1,0,0|1,0,0]=3 644 B17R2.25461 C[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1715365498 [0,1,0,1,0,0|2,0,0]=4 645 B17R2.25461 C[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5693385009 [0,1,0,1,0,0|2,0,0]=4 646 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-5918144303 [0,1,0,1,0,0|1,0,0]=3 647 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3783698618 [0,1,0,1,0,0|1,0,0]=3 648 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9875335869 [0,1,0,1,0,0|1,0,0]=3 649 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-6908956290 [0,1,0,1,0,0|1,0,0]=3 650 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-7475889550 [0,1,0,1,0,0|1,0,0]=3 651 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)I)C(=O)O MCULE-9649598054 [0,1,0,1,0,0|1,0,0]=3 652 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-6968549091 [0,1,0,1,0,0|1,0,0]=3 653 B17R2.25461 NC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-9494452708 [0,1,0,1,0,0|1,0,0]=3 654 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3333270561 [0,1,0,1,0,0|1,0,0]=3 655 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4194224675 [0,1,0,1,0,0|1,0,0]=3 656 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-5060457989 [0,1,0,1,0,0|1,0,0]=3 657 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9786648522 [0,1,0,1,0,0|1,0,0]=3 658 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5561117420 [0,1,0,1,0,0|1,0,0]=3 659 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-8287323983 [0,1,0,1,0,0|1,0,0]=3 660 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-1328548007 [0,1,0,1,0,0|1,0,0]=3 661 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3967393456 [0,1,0,1,0,0|1,0,0]=3 662 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4635672735 [0,1,0,1,0,0|1,0,0]=3 663 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1588677250 [0,1,0,1,0,0|1,0,0]=3 664 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-4149427296 [0,1,0,1,0,0|1,0,0]=3 665 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O MCULE-2691432843 [0,1,0,1,0,0|1,0,0]=3 666 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-3362841625 [0,1,0,1,0,0|1,0,0]=3 667 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-8672178602 [0,1,0,1,0,0|1,0,0]=3 668 B17R2.25461 [C@H](N)(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-7974218863 [0,1,0,1,0,0|1,0,0]=3 669 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)CC(N)C(=O)O MCULE-2857724640 [0,1,0,1,0,0|1,0,0]=3 670 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2355294933 [0,1,0,1,0,0|1,0,0]=3 671 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2985230411 [0,1,0,1,0,0|1,0,0]=3 672 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-1639302413 [0,1,0,1,0,0|1,0,0]=3 673 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-6032761384 [0,1,0,1,0,0|1,0,0]=3 674 B17R2.5003 NC(CC1C(=O)NC2=C1C=CC=C2)C(=O)O MCULE-9798850281 [0,1,0,1,0,0|0,0,1]=3 675 B17R2.5003 NC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-1995184018 [0,1,0,1,0,0|1,0,0]=3 676 B17R2.5003 N[C@@H](CC1=C(NC2=CC=CC=C12)O)C(=O)O MCULE-1906654680 [0,1,0,1,0,0|0,0,1]=3 677 B17R2.5003 N[C@H](CC1=C(NC2=C1C=CC=C2)O)C(=O)O MCULE-8342568055 [0,1,0,1,0,0|0,0,1]=3 678 B17R2.37552 CC1=C2C(=CNC2=CC=C1)CC(N)C(=O)O MCULE-3450403426 [0,1,0,1,0,0|1,0,0]=3 679 B17R2.37552 CC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O MCULE-7669211774 [0,1,0,1,0,0|1,0,0]=3 680 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9183830250 [0,1,0,1,0,0|1,0,0]=3 681 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9713571719 [0,1,0,1,0,0|1,0,0]=3 682 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-7572211598 [0,1,0,1,0,0|1,0,0]=3 683 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-8809191037 [0,1,0,1,0,0|1,0,0]=3 684 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3710888909 [0,1,0,1,0,0|1,0,0]=3 685 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5876038008 [0,1,0,1,0,0|1,0,0]=3 686 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-8052472538 [0,1,0,1,0,0|1,0,0]=3 687 B17R2.37552 NC(CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-8458955793 [0,1,0,1,0,0|1,0,0]=3 688 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-6419206552 [0,1,0,1,0,0|1,0,0]=3 689 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-8687655498 [0,1,0,1,0,0|1,0,0]=3 690 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-5535555262 [0,1,0,1,0,0|1,0,0]=3 691 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-7896753105 [0,1,0,1,0,0|1,0,0]=3 692 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-2776991776 [0,1,0,1,0,0|1,0,0]=3 693 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-4848944007 [0,1,0,1,0,0|1,0,0]=3 694 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-3901457897 [0,1,0,1,0,0|1,0,0]=3 695 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-7147285849 [0,1,0,1,0,0|1,0,0]=3 696 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3435001533 [0,1,0,1,0,0|1,0,0]=3 697 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-5473935751 [0,1,0,1,0,0|1,0,0]=3 698 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-9400287128 [0,1,0,1,0,0|1,0,0]=3 699 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-1602631164 [0,1,0,1,0,0|1,0,0]=3 700 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5300561098 [0,1,0,1,0,0|1,0,0]=3 701 B17R2.37552 N[C@H](CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-5221063985 [0,1,0,1,0,0|1,0,0]=3 702 B17R2.7 CNC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4418170102 [0,1,0,1,0,0|2,0,0]=4 703 B17R2.7 CNC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8806874695 [0,1,0,1,0,0|2,0,0]=4 704 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-2035601601 [0,1,0,1,0,0|2,0,0]=4 705 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-6400798643 [0,1,0,1,0,0|2,0,0]=4 706 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-1180328243 [0,1,0,1,0,0|2,0,0]=4 707 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-7472928093 [0,1,0,1,0,0|2,0,0]=4 708 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-1375533696 [0,1,0,1,0,0|1,0,0]=3 709 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4257766936 [0,1,0,1,0,0|1,0,0]=3 710 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6127245906 [0,1,0,1,0,0|1,0,0]=3 711 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6598811236 [0,1,0,1,0,0|1,0,0]=3 712 B17R2.7 COC(=O)C(N)CC1=CNC2=NC=CC=C12 MCULE-9983960597 [0,1,0,1,0,0|2,0,0]=4 713 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-3606983263 [0,1,0,1,0,0|1,0,0]=3 714 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4257219539 [0,1,0,1,0,0|1,0,0]=3 715 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-5014804775 [0,1,0,1,0,0|1,0,0]=3 716 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9077719590 [0,1,0,1,0,0|1,0,0]=3 717 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7078756778 [0,1,0,1,0,0|1,0,0]=3 718 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8527952510 [0,1,0,1,0,0|1,0,0]=3 719 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-7129192240 [0,1,0,1,0,0|1,0,0]=3 720 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-9568756958 [0,1,0,1,0,0|1,0,0]=3 721 B17R2.348239 COC(=O)C1(CC(=O)C2=CC=CC=C2O1)O MCULE-6553541880 [0,1,0,1,0,0|2,0,0]=4 722 B17R2.348239 COC(=O)C1(NC(=O)C2=CC=CC=C2N1)C MCULE-9359709957 [0,1,0,1,0,0|2,0,0]=4 723 B17R2.138 CC(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1093341027 [0,1,0,1,0,0|1,0,0]=3 724 B17R2.138 CC(N)(CC1=CSC2=CC=CC=C12)C(=O)O MCULE-2962241833 [0,1,0,1,0,0|2,0,0]=4 725 B17R2.138 C[C@@](N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5227549219 [0,1,0,1,0,0|1,0,0]=3 726 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-1032417051 [0,1,0,1,0,0|1,0,0]=3 727 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9776911359 [0,1,0,1,0,0|1,0,0]=3 728 B17R3.65033 O=C(O)C1CC2=C(C1)C3=C(N2)C=CC=C3 MCULE-4512034780 [0,0,0,2,0,0|2,0,0]=4 729 B13R1.168 CC1=C(SC=C1)C(=O)CCC(=O)O MCULE-2557631638 [1,0,0,0,1,0|2,0,0]=4 730 B13R1.202 CC(CC1=C(C=CC=C1)Br)C(=O)O MCULE-5369615416 [1,0,0,0,1,0|2,0,0]=4 731 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O MCULE-1157893995 [1,0,0,0,1,0|2,0,0]=4 732 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O MCULE-3357333139 [1,0,0,0,1,0|2,0,0]=4 733 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O MCULE-2487760745 [1,0,0,0,1,0|2,0,0]=4 734 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O MCULE-3928457353 [1,0,0,0,1,0|1,0,0]=3 735 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O MCULE-4728915963 [1,0,0,0,1,0|1,0,0]=3 736 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O MCULE-9582945892 [1,0,0,0,1,0|1,0,0]=3 737 B13R1.202 CC1=C(C=CC=C1)C[C@@H](N)C(=O)O MCULE-7777290104 [1,0,0,0,1,0|1,0,0]=3 738 B13R1.202 CC1=C(C=CC=N1)C[C@H](N)C(=O)O MCULE-2857482966 [1,0,0,0,1,0|2,0,0]=4 739 B13R1.202 CC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-3139735845 [1,0,0,0,1,0|1,0,0]=3 740 B13R1.202 CC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-4423394672 [1,0,0,0,1,0|1,0,0]=3 741 B13R1.202 CC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-8459527082 [1,0,0,0,1,0|1,0,0]=3 742 B13R1.202 CC1=NC=CC=C1C[C@H](N)C(=O)O MCULE-1450162280 [1,0,0,0,1,0|2,0,0]=4 743 B13R1.202 CC1=NC=CC=C1C[C@H](N)C(=O)O MCULE-2509567482 [1,0,0,0,1,0|2,0,0]=4 744 B13R1.202 CC1=NC=CC=C1C[C@H](N)C(=O)O MCULE-3945955464 [1,0,0,0,1,0|2,0,0]=4 745 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O MCULE-5724659686 [1,0,0,0,1,0|1,0,0]=3 746 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O MCULE-8657034756 [1,0,0,0,1,0|1,0,0]=3 747 B13R1.202 NC(CC1=C(C=CC=C1)Cl)C(=O)O MCULE-1003643925 [1,0,0,0,1,0|1,0,0]=3 748 B13R1.202 NC(CC1=C(C=CC=C1)Cl)C(=O)O MCULE-5234125993 [1,0,0,0,1,0|1,0,0]=3 749 B13R1.202 NC(CC1=C(C=CC=C1)F)C(=O)O MCULE-1643139482 [1,0,0,0,1,0|1,0,0]=3 750 B13R1.202 NC(CC1=C(C=CC=C1)F)C(=O)O MCULE-8132487617 [1,0,0,0,1,0|1,0,0]=3 751 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O MCULE-2760582536 [1,0,0,0,1,0|1,0,0]=3 752 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O MCULE-3181624921 [1,0,0,0,1,0|1,0,0]=3 753 B13R1.202 NC(CC1=CC=CC=C1Br)C(=O)O MCULE-4720569207 [1,0,0,0,1,0|1,0,0]=3 754 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O MCULE-5831466387 [1,0,0,0,1,0|1,0,0]=3 755 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O MCULE-3693150441 [1,0,0,0,1,0|1,0,0]=3 756 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O MCULE-8522650891 [1,0,0,0,1,0|1,0,0]=3 757 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O MCULE-7465695275 [1,0,0,0,1,0|0,0,0]=2 758 B13R1.202 NC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-6308202600 [1,0,0,0,1,0|0,0,0]=2 759 B13R1.202 NC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-2066886177 [1,0,0,0,1,0|0,0,0]=2 760 B13R1.202 N[C@@H](CC1=C(C=CC=C1)F)C(=O)O MCULE-5925880420 [1,0,0,0,1,0|1,0,0]=3 761 B13R1.202 N[C@@H](CC1=C(C=CC=C1)I)C(=O)O MCULE-5539213577 [1,0,0,0,1,0|1,0,0]=3 762 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O MCULE-7720110968 [1,0,0,0,1,0|1,0,0]=3 763 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O MCULE-8611213892 [1,0,0,0,1,0|1,0,0]=3 764 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O MCULE-4843973004 [1,0,0,0,1,0|1,0,0]=3 765 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O MCULE-6583454610 [1,0,0,0,1,0|1,0,0]=3 766 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O MCULE-8729370801 [1,0,0,0,1,0|1,0,0]=3 767 B13R1.202 N[C@@H](CC1=CC=CC=C1F)C(=O)O MCULE-1023509436 [1,0,0,0,1,0|1,0,0]=3 768 B13R1.202 N[C@@H](CC1=CC=CC=C1I)C(=O)O MCULE-1271250491 [1,0,0,0,1,0|1,0,0]=3 769 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-3324530063 [1,0,0,0,1,0|1,0,0]=3 770 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-4252485679 [1,0,0,0,1,0|1,0,0]=3 771 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-8738209502 [1,0,0,0,1,0|1,0,0]=3 772 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O MCULE-9497377193 [1,0,0,0,1,0|1,0,0]=3 773 B13R1.202 N[C@@H](CC1=NC=CC=C1Cl)C(=O)O MCULE-2291118366 [1,0,0,0,1,0|2,0,0]=4 774 B13R1.202 N[C@H](CC1=C(C=CC=C1)F)C(=O)O MCULE-2582515595 [1,0,0,0,1,0|1,0,0]=3 775 B13R1.202 N[C@H](CC1=CC=CC=C1Br)C(=O)O MCULE-1182640112 [1,0,0,0,1,0|1,0,0]=3 776 B13R1.202 N[C@H](CC1=CC=CC=C1Br)C(=O)O MCULE-7433575732 [1,0,0,0,1,0|1,0,0]=3 777 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(=O)O MCULE-2211654501 [1,0,0,0,1,0|1,0,0]=3 778 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(=O)O MCULE-7072462727 [1,0,0,0,1,0|1,0,0]=3 779 B13R1.202 N[C@H](CC1=CC=CC=C1F)C(=O)O MCULE-2083626274 [1,0,0,0,1,0|1,0,0]=3 780 B13R1.202 N[C@H](CC1=CC=CC=C1F)C(=O)O MCULE-3474904707 [1,0,0,0,1,0|1,0,0]=3 781 B13R1.202 N[C@H](CC1=CC=CC=C1F)C(=O)O MCULE-4069544287 [1,0,0,0,1,0|1,0,0]=3 782 B13R1.202 N[C@H](CC1=CC=CC=C1I)C(=O)O MCULE-1367493363 [1,0,0,0,1,0|1,0,0]=3 783 B13R1.202 N[C@H](CC1=CC=CC=C1I)C(=O)O MCULE-5236102575 [1,0,0,0,1,0|1,0,0]=3 784 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O MCULE-2348504704 [1,0,0,0,1,0|1,0,0]=3 785 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O MCULE-8147742693 [1,0,0,0,1,0|1,0,0]=3 786 B13R1.202 N[C@H](CC1=NC=CC=C1Br)C(=O)O MCULE-3372881597 [1,0,0,0,1,0|2,0,0]=4 787 B13R1.202 N[C@H](CC1=NC=CC=C1F)C(=O)O MCULE-2506093240 [1,0,0,0,1,0|2,0,0]=4 788 B13R1.202 O=C(O)C(Br)CC1=C(C=CC=C1)Br MCULE-5032087774 [1,0,0,0,1,0|2,0,0]=4 789 B13R1.202 O=C(O)C(Br)CC1=CC=CC=C1Cl MCULE-4038063637 [1,0,0,0,1,0|2,0,0]=4 790 B13R1.202 O=C(O)C(Br)CC1=CC=CC=C1F MCULE-3940590279 [1,0,0,0,1,0|2,0,0]=4 791 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Br MCULE-1533586444 [1,0,0,0,1,0|2,0,0]=4 792 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl MCULE-2811622154 [1,0,0,0,1,0|2,0,0]=4 793 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 MCULE-5242076511 [1,0,0,0,1,0|2,0,0]=4 794 B13R1.152 CC(C(=O)O)C(=O)C1=CC=CC=C1 MCULE-2353668236 [1,0,0,0,1,0|1,0,0]=3 795 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O MCULE-8491955673 [1,0,0,0,1,0|1,0,1]=4 796 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O MCULE-9701727761 [1,0,0,0,1,0|1,0,1]=4 797 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-5202341879 [1,0,0,0,1,0|1,0,1]=4 798 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-3296564620 [1,0,0,0,1,0|1,0,1]=4 799 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-5770222064 [1,0,0,0,1,0|1,0,1]=4 800 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8614292304 [1,0,0,0,1,0|1,0,1]=4 801 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8697326618 [1,0,0,0,1,0|1,0,1]=4 802 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-8687654257 [1,0,0,0,1,0|1,0,1]=4 803 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-9499293392 [1,0,0,0,1,0|1,0,1]=4 804 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-1845048066 [1,0,0,0,1,0|1,0,1]=4 805 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-9752844525 [1,0,0,0,1,0|1,0,1]=4 806 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 MCULE-2618772778 [1,0,0,0,1,0|1,0,1]=4 807 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MCULE-3348967519 [1,0,0,0,1,0|0,0,2]=4 808 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MCULE-4051921601 [1,0,0,0,1,0|0,0,2]=4 809 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 MCULE-6532492719 [1,0,0,0,1,0|0,0,2]=4 810 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7686375522 [1,0,0,0,1,0|0,0,2]=4 811 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 MCULE-3533562532 [1,0,0,0,1,0|0,0,2]=4 812 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7276106585 [1,0,0,0,1,0|0,0,2]=4 813 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7798579567 [1,0,0,0,1,0|0,0,2]=4 814 B13R1.339 NC(CC(=O)C1=CC=CS1)C(=O)O MCULE-3001867467 [1,0,0,0,1,0|1,0,0]=3 815 B15R1.256 CC1=C(C=CC=C1)CC(=O)NCC(=O)O MCULE-7839195328 [1,0,0,0,0,1|2,0,0]=4 816 B15R1.256 CC1=C(N=CC=C1)NC(=O)CCC(=O)O MCULE-2710935692 [1,0,0,0,0,1|2,0,0]=4 817 B15R1.256 CC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-1336542091 [1,0,0,0,0,1|1,0,0]=3 818 B15R1.256 NC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-5084075843 [1,0,0,0,0,1|0,0,0]=2 819 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)Br MCULE-3740370178 [1,0,0,0,0,1|1,0,0]=3 820 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)Cl MCULE-4039638178 [1,0,0,0,0,1|1,0,0]=3 821 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)F MCULE-2549168717 [1,0,0,0,0,1|1,0,0]=3 822 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)O MCULE-1365039410 [1,0,0,0,0,1|1,0,0]=3 823 B15R1.256 O=C(O)CCC(=O)NC1=CC=CC=C1I MCULE-7518602629 [1,0,0,0,0,1|1,0,0]=3 824 B15R1.256 O=C(O)CCC(=O)NC1=CC=CC=C1S MCULE-3426768184 [1,0,0,0,0,1|1,0,0]=3 825 B15R1.256 O=C(O)CNC(=O)CC1=C(C=CC=C1)Cl MCULE-8315663408 [1,0,0,0,0,1|2,0,0]=4 826 B15R1.8019 CC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-8627095197 [1,0,0,0,0,1|1,0,0]=3 827 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2620024877 [1,0,0,0,0,1|1,0,0]=3 828 B15R1.8019 CC1=CC=CC=C1C(=O)CSCC(=O)O MCULE-4379850028 [1,0,0,0,0,1|1,0,0]=3 829 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N MCULE-5824849409 [1,0,0,0,0,1|1,0,0]=3 830 B15R1.8019 NC(=O)CCNC(=O)C1=CC=CC=C1Cl MCULE-1012949600 [1,0,0,0,0,1|2,0,0]=4 831 B15R1.8019 NC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2778673340 [1,0,0,0,0,1|0,0,0]=2 832 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Br MCULE-6254117035 [1,0,0,0,0,1|1,0,0]=3 833 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3103349432 [1,0,0,0,0,1|1,0,0]=3 834 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)F MCULE-9757131659 [1,0,0,0,0,1|1,0,0]=3 835 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)I MCULE-1920834995 [1,0,0,0,0,1|1,0,0]=3 836 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Br MCULE-3840784923 [1,0,0,0,0,1|1,0,0]=3 837 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F MCULE-2285078721 [1,0,0,0,0,1|1,0,0]=3 838 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)O MCULE-9964432323 [1,0,0,0,0,1|1,0,0]=3 839 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1Cl MCULE-5544728437 [1,0,0,0,0,1|1,0,0]=3 840 B15R1.257 NC(CSCC1=CC=CC=C1Cl)C(=O)O MCULE-9600665306 [1,0,0,0,0,1|1,0,1]=4 841 B15R1.500 CC(CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-9308182384 [1,0,0,0,0,1|1,0,0]=3 842 B15R1.500 CC(SCC(=O)C1=CC=CC=C1)C(=O)O MCULE-5661600986 [1,0,0,0,0,1|1,0,0]=3 843 B15R1.500 C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-1408376648 [1,0,0,0,0,1|1,0,0]=3 844 B15R1.500 C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-7902641652 [1,0,0,0,0,1|1,0,0]=3 845 B15R1.500 NC(CCC(=O)C1=CC=CC=C1)C(=O)O MCULE-3072103469 [1,0,0,0,0,1|0,0,0]=2 846 B15R1.1076 CC(CC(=O)O)CC(=O)C1=CC=CC=C1 MCULE-2605000559 [1,0,0,0,0,1|1,0,0]=3 847 B15R1.1076 CC(CC(=O)O)NC(=O)C1=CC=CC=C1 MCULE-6234387680 [1,0,0,0,0,1|2,0,0]=4 848 B17R1.9017 CC(CC(=O)O)CC(=O)NC1=CC=CC=C1Cl MCULE-3777722703 [0,0,0,0,0,2|2,0,0]=4 849 B17R1.9017 CC1=CC=CC=C1NC(=O)CC(C)CC(=O)O MCULE-9110305372 [0,0,0,0,0,2|2,0,0]=4 850 B17R1.9018 CC(CCC(=O)NC1=C(C=CC=C1)Cl)C(=O)O MCULE-6100730485 [0,0,0,0,0,2|2,0,0]=4