0 B14R1.160 CC(=NNC(=O)C1=C(C=CC=C1)N)C MCULE-9036686988 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.160 CC(=NNC(=O)N)C1=C(C=CC=C1)N MCULE-4958722554 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.160 CC(=O)COC(=O)C1=CC=CC=C1Br MCULE-2353463310 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.160 CC(=O)COC(=O)C1=CC=CC=C1N MCULE-1132914706 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1Br MCULE-4569989062 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1Cl MCULE-5709239344 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1F MCULE-4048606054 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1N MCULE-9212827880 [0,0,0,0,0,0|3,0,0]=3 8 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1C MCULE-6335589175 [0,0,0,0,0,0|3,0,0]=3 9 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1Cl MCULE-4816364116 [0,0,0,0,0,0|3,0,0]=3 10 B14R1.160 CC(=O)OCC(=O)C1=CC=CC=C1F MCULE-9043405538 [0,0,0,0,0,0|3,0,0]=3 11 B14R1.160 CC(=O)ONC(=O)C1=C(C=CC=C1)O MCULE-5923893696 [0,0,0,0,0,0|4,0,0]=4 12 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)N MCULE-9841541518 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.160 CC(C)COC(=O)C1=C(C=CC=C1)N MCULE-2088196075 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.160 CC(O)CNC(=O)C1=CC=CC=C1Cl MCULE-3345526304 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.160 CC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2701695748 [0,0,0,0,0,0|1,0,0]=1 16 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6971330465 [0,0,0,0,0,0|2,0,0]=2 17 B14R1.160 CC1=CC=CC=C1C(=O)C=CC(=O)O MCULE-1154700170 [0,0,0,0,0,0|1,0,2]=3 18 B14R1.160 CN(CCC(=O)O)C1=C(C=CC=C1)F MCULE-3738842396 [0,0,0,0,0,0|3,0,0]=3 19 B14R1.160 CN(CCC(=O)O)C1=C(C=CC=C1)F MCULE-5621672413 [0,0,0,0,0,0|3,0,0]=3 20 B14R1.160 NC(=O)CNC(=O)C1=CC=CN=C1F MCULE-3283779046 [0,0,0,0,0,0|4,0,0]=4 21 B14R1.160 NC(=O)NNC(=O)C1=C(C=CC=C1)O MCULE-1154389673 [0,0,0,0,0,0|4,0,0]=4 22 B14R1.160 NC(=S)NNC(=O)C1=CC=CC=C1N MCULE-1391325105 [0,0,0,0,0,0|3,1,0]=4 23 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6337040358 [0,0,0,0,0,0|1,0,0]=1 24 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-7892803957 [0,0,0,0,0,0|1,0,0]=1 25 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)[O-] MCULE-1208767346 [0,0,0,0,0,0|1,0,1]=2 26 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br MCULE-5626452166 [0,0,0,0,0,0|1,0,0]=1 27 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)F MCULE-2439050217 [0,0,0,0,0,0|1,0,0]=1 28 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)I MCULE-4955543307 [0,0,0,0,0,0|1,0,0]=1 29 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl MCULE-7314693029 [0,0,0,0,0,0|1,0,0]=1 30 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl MCULE-9247448113 [0,0,0,0,0,0|2,0,0]=2 31 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F MCULE-7821238762 [0,0,0,0,0,0|2,0,0]=2 32 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I MCULE-5889271418 [0,0,0,0,0,0|2,0,0]=2 33 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O MCULE-5194764394 [0,0,0,0,0,0|2,0,0]=2 34 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=N1)O MCULE-6903676397 [0,0,0,0,0,0|3,0,0]=3 35 B14R1.160 O=C(O)CNC(=O)C1=C(N=CC=C1)Cl MCULE-7667340229 [0,0,0,0,0,0|3,0,0]=3 36 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Br MCULE-1952492828 [0,0,0,0,0,0|2,0,0]=2 37 B14R1.160 O=C(O)CSC(=O)C1=CC=CC=C1Cl MCULE-8267772871 [0,0,0,0,0,0|2,0,0]=2 38 B14R1.160 O=C([O-])CNC(=O)C1=C(C=CC=C1)I MCULE-1576361058 [0,0,0,0,0,0|2,0,1]=3 39 B13R1.45 C=C(C)COC(=O)C1=CC=CC=C1 MCULE-5785891494 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 MCULE-7185754790 [1,0,0,0,0,0|1,0,0]=2 41 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=N1 MCULE-1169430338 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.45 CC(=O)CCC(=O)C1=CC=CN=C1 MCULE-3509234910 [1,0,0,0,0,0|2,0,0]=3 43 B13R1.45 CC(=O)CCC(=O)C1=CC=NC=C1 MCULE-3146867730 [1,0,0,0,0,0|2,0,0]=3 44 B13R1.45 CC(=O)CNC(=O)C1=CC=CC=C1 MCULE-9561319105 [1,0,0,0,0,0|2,0,0]=3 45 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 MCULE-2410376645 [1,0,0,0,0,0|2,0,0]=3 46 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 MCULE-6763642123 [1,0,0,0,0,0|3,0,0]=4 47 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 MCULE-6090896883 [1,0,0,0,0,0|2,0,0]=3 48 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 MCULE-6065907381 [1,0,0,0,0,0|3,0,0]=4 49 B13R1.45 CC(=O)SCC(=O)C1=CC=CC=C1 MCULE-6655287902 [1,0,0,0,0,0|2,0,0]=3 50 B13R1.45 CC(=S)SCC(=O)C1=CC=CC=C1 MCULE-7650452391 [1,0,0,0,0,0|2,1,0]=4 51 B13R1.45 CC(Br)CCC(=O)C1=CC=CC=C1 MCULE-7280773803 [1,0,0,0,0,0|2,0,1]=4 52 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 MCULE-1823903499 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 MCULE-9273435680 [1,0,0,0,0,0|1,0,1]=3 54 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-3454389940 [1,0,0,0,0,0|2,0,1]=4 55 B13R1.45 CC(NCC(=O)O)C1=CC=CC=C1 MCULE-9418621810 [1,0,0,0,0,0|2,0,1]=4 56 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 MCULE-2076833592 [1,0,0,0,0,0|2,0,1]=4 57 B13R1.45 CC(O)COC(=O)C1=CC=CC=C1 MCULE-4649003528 [1,0,0,0,0,0|2,0,1]=4 58 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 MCULE-4031792903 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-6181229610 [1,0,0,0,0,0|2,0,0]=3 60 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 MCULE-7016084931 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-6707846891 [1,0,0,0,0,0|2,0,1]=4 62 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7678257919 [1,0,0,0,0,0|2,0,1]=4 63 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 MCULE-8801851891 [1,0,0,0,0,0|2,0,1]=4 64 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-2914925663 [1,0,0,0,0,0|2,0,1]=4 65 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 MCULE-7694471053 [1,0,0,0,0,0|2,0,1]=4 66 B13R1.45 C[C@H](OCC(=O)O)C1=CC=CC=C1 MCULE-7615720029 [1,0,0,0,0,0|2,0,1]=4 67 B13R1.45 C[NH+](C)CCC(=O)C1=CC=CC=C1 MCULE-4520702289 [1,0,0,0,0,0|3,0,0]=4 68 B13R1.45 N=C(NCC(=O)O)C1=CC=CC=C1 MCULE-3603507752 [1,0,0,0,0,0|2,0,0]=3 69 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 MCULE-1126824260 [1,0,0,0,0,0|2,0,0]=3 70 B13R1.45 NC(=O)CNC(=O)C1=CC=NC=C1 MCULE-4842402008 [1,0,0,0,0,0|3,0,0]=4 71 B13R1.45 NC(=O)NOC(=O)C1=CC=CC=C1 MCULE-7447133558 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 MCULE-1586182862 [1,0,0,0,0,0|2,1,0]=4 73 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 MCULE-7701657005 [1,0,0,0,0,0|2,1,0]=4 74 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-4202777625 [1,0,0,0,0,0|1,0,1]=3 75 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-6369614057 [1,0,0,0,0,0|1,0,1]=3 76 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 MCULE-8208262479 [1,0,0,0,0,0|1,0,1]=3 77 B13R1.45 NC(CCC(=O)O)C1=CC=CC=N1 MCULE-4068806991 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.45 NC(CCC(=O)O)C1=CC=NC=C1 MCULE-8327325869 [1,0,0,0,0,0|2,0,1]=4 79 B13R1.45 NC(CCC(=O)O)C1=NC=CC=C1 MCULE-2256440112 [1,0,0,0,0,0|2,0,1]=4 80 B13R1.45 NN(CCC(=O)O)C1=CC=CC=C1 MCULE-6515024702 [1,0,0,0,0,0|2,0,0]=3 81 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-1186252540 [1,0,0,0,0,0|1,0,1]=3 82 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-3844920282 [1,0,0,0,0,0|1,0,1]=3 83 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9329598937 [1,0,0,0,0,0|1,0,1]=3 84 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9753214445 [1,0,0,0,0,0|1,0,1]=3 85 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=NC=C1 MCULE-4246152867 [1,0,0,0,0,0|2,0,1]=4 86 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-4184367501 [1,0,0,0,0,0|1,0,1]=3 87 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-5500987281 [1,0,0,0,0,0|1,0,1]=3 88 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-7624062364 [1,0,0,0,0,0|1,0,1]=3 89 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 MCULE-9023704248 [1,0,0,0,0,0|1,0,1]=3 90 B13R1.45 N[C@H](CCC(=O)O)C1=CC=NC=C1 MCULE-3485856671 [1,0,0,0,0,0|2,0,1]=4 91 B13R1.45 O=C(CCC(F)Cl)C1=CC=CC=C1 MCULE-7401821452 [1,0,0,0,0,0|2,0,1]=4 92 B13R1.45 O=C(Cl)CNC(=O)C1=CC=CC=C1 MCULE-6200370246 [1,0,0,0,0,0|2,0,0]=3 93 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 MCULE-8715758472 [1,0,0,0,0,0|2,0,0]=3 94 B13R1.45 O=C(O)/C=C/C(=O)C1=CC=CC=C1 MCULE-7932930043 [1,0,0,0,0,0|0,0,2]=3 95 B13R1.45 O=C(O)C=CC(=O)C1=CC=CC=C1 MCULE-3929792367 [1,0,0,0,0,0|0,0,2]=3 96 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [1,0,0,0,0,0|0,0,0]=1 97 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 MCULE-9218064287 [1,0,0,0,0,0|1,0,0]=2 98 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 MCULE-5354097885 [1,0,0,0,0,0|1,0,0]=2 99 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4148866271 [1,0,0,0,0,0|1,0,0]=2 100 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4643360404 [1,0,0,0,0,0|1,0,0]=2 101 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 MCULE-4325680851 [1,0,0,0,0,0|0,0,2]=3 102 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MCULE-2214602350 [1,0,0,0,0,0|1,0,0]=2 103 B13R1.45 O=C(O)CNC(=O)C1=CC=C[NH+]=C1 MCULE-2334015826 [1,0,0,0,0,0|2,0,0]=3 104 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 MCULE-1163809665 [1,0,0,0,0,0|2,0,0]=3 105 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 MCULE-2257741698 [1,0,0,0,0,0|2,0,0]=3 106 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=N1 MCULE-8922720745 [1,0,0,0,0,0|3,0,0]=4 107 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 MCULE-4073681274 [1,0,0,0,0,0|2,0,0]=3 108 B13R1.45 O=C(O)CNC(=S)C1=CC=CC=C1 MCULE-9765729580 [1,0,0,0,0,0|1,1,0]=3 109 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 MCULE-6985615485 [1,0,0,0,0,0|2,0,0]=3 110 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 MCULE-5202964730 [1,0,0,0,0,0|1,0,0]=2 111 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 MCULE-1348963497 [1,0,0,0,0,0|1,1,0]=3 112 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 MCULE-9281884015 [1,0,0,0,0,0|1,0,1]=3 113 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 MCULE-1564217179 [1,0,0,0,0,0|1,0,1]=3 114 B13R1.158 CC1=C(C=CC=C1)CCCC(=O)O MCULE-8086754634 [1,0,0,0,0,0|1,0,1]=3 115 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O MCULE-7575998033 [1,0,0,0,0,0|2,0,1]=4 116 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O MCULE-8080342184 [1,0,0,0,0,0|2,0,1]=4 117 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O MCULE-1126440851 [1,0,0,0,0,0|2,0,1]=4 118 B13R1.158 CC1=C(C=CC=C1)CSCC(=O)O MCULE-2262275281 [1,0,0,0,0,0|2,0,1]=4 119 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O MCULE-6433959628 [1,0,0,0,0,0|2,0,0]=3 120 B13R1.158 CC1=CC=CC=C1OCCC(=O)O MCULE-1847570735 [1,0,0,0,0,0|2,0,0]=3 121 B13R1.158 CC1=CC=CC=C1SCCC(=O)O MCULE-3610383733 [1,0,0,0,0,0|2,0,0]=3 122 B13R1.158 NC(=O)CCCC1=CC=CC=C1Cl MCULE-9246651590 [1,0,0,0,0,0|2,0,1]=4 123 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)N MCULE-5304706792 [1,0,0,0,0,0|2,0,0]=3 124 B13R1.158 NC(=O)CCNC1=CC=CC=C1N MCULE-9465629675 [1,0,0,0,0,0|2,0,0]=3 125 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N MCULE-6323548335 [1,0,0,0,0,0|2,0,0]=3 126 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N MCULE-1644880299 [1,0,0,0,0,0|2,0,0]=3 127 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-4546839548 [1,0,0,0,0,0|0,0,1]=2 128 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O MCULE-8845736053 [1,0,0,0,0,0|0,0,1]=2 129 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-4643199382 [1,0,0,0,0,0|1,0,0]=2 130 B13R1.158 NC1=CC=CC=C1OCCC(=O)O MCULE-9399438033 [1,0,0,0,0,0|1,0,0]=2 131 B13R1.158 O=C(Cl)CCCC1=CC=CC=C1F MCULE-9019321403 [1,0,0,0,0,0|2,0,1]=4 132 B13R1.158 O=C(O)CC=CC1=C(C=CC=C1)F MCULE-9599946758 [1,0,0,0,0,0|1,0,1]=3 133 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br MCULE-9066386382 [1,0,0,0,0,0|1,0,1]=3 134 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl MCULE-6520890001 [1,0,0,0,0,0|1,0,1]=3 135 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F MCULE-7333605867 [1,0,0,0,0,0|1,0,1]=3 136 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)O MCULE-6061979247 [1,0,0,0,0,0|1,0,1]=3 137 B13R1.158 O=C(O)CCCN1C=CC=CC1=O MCULE-5104600919 [1,0,0,0,0,0|2,0,1]=4 138 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)F MCULE-9617002989 [1,0,0,0,0,0|2,0,0]=3 139 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl MCULE-7708706863 [1,0,0,0,0,0|2,0,0]=3 140 B13R1.158 O=C(O)CCNC1=CC=CC=C1I MCULE-8194705706 [1,0,0,0,0,0|2,0,0]=3 141 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br MCULE-1634299141 [1,0,0,0,0,0|2,0,0]=3 142 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl MCULE-2237792478 [1,0,0,0,0,0|2,0,0]=3 143 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F MCULE-8402983120 [1,0,0,0,0,0|2,0,0]=3 144 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)I MCULE-3745325973 [1,0,0,0,0,0|2,0,0]=3 145 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br MCULE-9251688488 [1,0,0,0,0,0|2,0,0]=3 146 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl MCULE-1522135518 [1,0,0,0,0,0|2,0,0]=3 147 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F MCULE-4201790331 [1,0,0,0,0,0|2,0,0]=3 148 B13R1.158 O=C(O)CNCC1=C(C=CC=C1)Br MCULE-4326023014 [1,0,0,0,0,0|2,0,1]=4 149 B13R1.158 O=C(O)CNCC1=CC=CC=C1Cl MCULE-1625907465 [1,0,0,0,0,0|2,0,1]=4 150 B13R1.158 O=C(O)CNCC1=CC=CC=C1Cl MCULE-7566342930 [1,0,0,0,0,0|2,0,1]=4 151 B13R1.158 O=C(O)CNCC1=CC=CC=C1F MCULE-9825730426 [1,0,0,0,0,0|2,0,1]=4 152 B13R1.158 O=C(O)CNCC1=CC=CC=C1I MCULE-5276781878 [1,0,0,0,0,0|2,0,1]=4 153 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl MCULE-5182686332 [1,0,0,0,0,0|2,0,1]=4 154 B13R1.158 O=C(O)COCC1=C(C=CC=C1)F MCULE-6728381420 [1,0,0,0,0,0|2,0,1]=4 155 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Br MCULE-1240587438 [1,0,0,0,0,0|2,0,1]=4 156 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl MCULE-9571632216 [1,0,0,0,0,0|2,0,1]=4 157 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)F MCULE-6635727666 [1,0,0,0,0,0|2,0,1]=4 158 B13R1.674 C#CCNC(=O)C1=C(C=CC=C1)N MCULE-1913229532 [1,0,0,0,0,0|2,0,1]=4 159 B13R1.674 C#CCNC(=O)C1=C(C=CC=C1)N MCULE-7567734199 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.674 C=CCCC(=O)C1=CC=CC=C1C MCULE-9120030411 [1,0,0,0,0,0|2,0,0]=3 161 B13R1.674 C=CCCC(=O)C1=CC=CC=C1Cl MCULE-7164122494 [1,0,0,0,0,0|2,0,0]=3 162 B13R1.674 C=CCCC(=O)C1=CC=CC=C1F MCULE-4918047723 [1,0,0,0,0,0|2,0,0]=3 163 B13R1.674 C=CCNC(=O)C1=C(C=CC=C1)Br MCULE-9872183595 [1,0,0,0,0,0|3,0,0]=4 164 B13R1.674 C=CCNC(=O)C1=C(C=CC=C1)O MCULE-5086490774 [1,0,0,0,0,0|3,0,0]=4 165 B13R1.674 C=CCNC(=O)C1=CC=CC=C1C MCULE-8009853475 [1,0,0,0,0,0|3,0,0]=4 166 B13R1.674 C=CCNC(=O)C1=CC=CC=C1Cl MCULE-2021274746 [1,0,0,0,0,0|3,0,0]=4 167 B13R1.674 C=CCNC(=O)C1=CC=CC=C1F MCULE-9777358885 [1,0,0,0,0,0|3,0,0]=4 168 B13R1.674 C=CCNC(=O)C1=CC=CC=C1I MCULE-4833974039 [1,0,0,0,0,0|3,0,0]=4 169 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N MCULE-8677868078 [1,0,0,0,0,0|2,0,0]=3 170 B13R1.674 CC1=C(C=CC=C1)C(=O)CCCCl MCULE-3753898680 [1,0,0,0,0,0|2,0,1]=4 171 B13R1.674 CC=NNC(=O)C1=CC=CC=C1N MCULE-5355923618 [1,0,0,0,0,0|3,0,0]=4 172 B13R1.674 CCCCC(=O)C1=C(C=CC=C1)C MCULE-2238265277 [1,0,0,0,0,0|2,0,1]=4 173 B13R1.674 CCCCC(=O)C1=C(C=CC=C1)O MCULE-2172141129 [1,0,0,0,0,0|2,0,1]=4 174 B13R1.674 CCCCC(=O)C1=CC=CC=C1Br MCULE-8894063875 [1,0,0,0,0,0|2,0,1]=4 175 B13R1.674 CCCCC(=O)C1=CC=CC=C1Cl MCULE-5726879275 [1,0,0,0,0,0|2,0,1]=4 176 B13R1.674 CCCCC(=O)C1=CC=CC=C1F MCULE-4503139755 [1,0,0,0,0,0|2,0,1]=4 177 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)N MCULE-2463835161 [1,0,0,0,0,0|2,0,1]=4 178 B13R1.674 CSCCC(=O)C1=CC=CC=C1C MCULE-4066770767 [1,0,0,0,0,0|3,0,0]=4 179 B13R1.674 CSCCC(=O)C1=CC=CC=C1Cl MCULE-6107346464 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.674 CSCCC(=O)C1=CC=CC=C1F MCULE-1005427504 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.674 N#CCCC(=O)C1=C(C=CC=C1)Br MCULE-5626387977 [1,0,0,0,0,0|2,0,1]=4 182 B13R1.674 N#CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3072976302 [1,0,0,0,0,0|2,0,1]=4 183 B13R1.674 N#CCCC(=O)C1=CC=CC=C1F MCULE-3264122696 [1,0,0,0,0,0|2,0,1]=4 184 B13R1.674 N#CCCC(=O)C1=CC=CC=C1I MCULE-3428865382 [1,0,0,0,0,0|2,0,1]=4 185 B13R1.674 NC1=C(C=CC=C1)C(=O)NCCO MCULE-6496703700 [1,0,0,0,0,0|1,0,1]=3 186 B13R1.674 NC1=C(C=CC=C1)C(=O)NCCO MCULE-7412686245 [1,0,0,0,0,0|1,0,1]=3 187 B13R1.674 NCCNC(=O)C1=C(C=CC=C1)N MCULE-8739271365 [1,0,0,0,0,0|2,0,1]=4 188 B13R1.674 O=C(CCCCl)C1=C(C=CC=C1)Cl MCULE-6717853172 [1,0,0,0,0,0|2,0,1]=4 189 B13R1.674 O=C(CCCCl)C1=C(C=CC=C1)F MCULE-7819282833 [1,0,0,0,0,0|2,0,1]=4 190 B13R1.674 O=C(NCCO)C1=C(C=CC=C1)O MCULE-2014816336 [1,0,0,0,0,0|2,0,1]=4 191 B13R1.674 O=C(NCCO)C1=CC=CC=C1F MCULE-6094726891 [1,0,0,0,0,0|2,0,1]=4 192 B13R1.674 O=C(NCCO)C1=CC=CC=C1I MCULE-8624804272 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.674 O=C(OCCO)C1=C(C=CC=C1)O MCULE-8684266018 [1,0,0,0,0,0|2,0,1]=4 194 B13R1.674 O=CNNC(=O)C1=CC=CC=C1Br MCULE-2415481795 [1,0,0,0,0,0|3,0,0]=4 195 B13R1.674 O=CNNC(=O)C1=CC=CC=C1Cl MCULE-6084108072 [1,0,0,0,0,0|3,0,0]=4 196 B13R1.674 [NH3+]C1=C(C=CC=C1)C(=O)NCC=C MCULE-1820568330 [1,0,0,0,0,0|2,0,1]=4 197 B15R1.86 CC(=O)OCC(=O)C1=CC=CC=C1C#N MCULE-1811869458 [0,1,0,0,0,0|2,0,1]=4 198 B15R1.86 CCC1=CC=CC=C1C(=O)C=CC(=O)O MCULE-8247700919 [0,1,0,0,0,0|1,0,2]=4 199 B15R1.86 CCC1=CC=CC=C1C(=O)CCC(=O)O MCULE-2828820186 [0,1,0,0,0,0|1,0,0]=2 200 B15R1.86 CCC1=CC=CC=C1C(=O)COC(=O)C MCULE-2635576077 [0,1,0,0,0,0|3,0,0]=4 201 B15R1.86 COC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-4905025368 [0,1,0,0,0,0|1,0,0]=2 202 B15R1.86 COC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-3790932369 [0,1,0,0,0,0|2,0,0]=3 203 B15R1.86 COC1=C(C=CC=C1)N(C)CCC(=O)O MCULE-2748316878 [0,1,0,0,0,0|3,0,0]=4 204 B15R1.86 COC1=C(C=CC=C1)N(C)CCC(=O)O MCULE-3574428676 [0,1,0,0,0,0|3,0,0]=4 205 B15R1.86 COC1=CC=CC=C1C(=O)C=CC(=O)O MCULE-8068063306 [0,1,0,0,0,0|1,0,2]=4 206 B15R1.86 COC1=CC=CC=C1C(=O)COC(=O)C MCULE-7664095131 [0,1,0,0,0,0|3,0,0]=4 207 B15R1.86 CSC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2263895939 [0,1,0,0,0,0|1,0,0]=2 208 B15R1.86 CSC1=C(C=CC=C1)C(=O)COC(=O)C MCULE-1521369070 [0,1,0,0,0,0|3,0,0]=4 209 B15R1.124 CC(=O)OCC(=O)C1=C(C(=CC=C1)C)C MCULE-7117270059 [0,1,0,0,0,0|3,0,0]=4 210 B15R1.124 CC(=O)OCC(=O)C1=C(C(=CC=C1)Cl)Cl MCULE-2558620349 [0,1,0,0,0,0|3,0,0]=4 211 B15R1.124 CC(=O)OCC(=O)C1=CC=CC(=C1C)Cl MCULE-7942246059 [0,1,0,0,0,0|3,0,0]=4 212 B15R1.124 CC(=O)OCC(=O)C1=CC=CC(=C1C)F MCULE-6415545392 [0,1,0,0,0,0|3,0,0]=4 213 B15R1.124 CC(=O)OCC(=O)C1=CC=CC(=C1Cl)C MCULE-9471664541 [0,1,0,0,0,0|3,0,0]=4 214 B15R1.124 CC(=O)OCC(=O)C1=CC=CC(=C1Cl)F MCULE-5584265095 [0,1,0,0,0,0|3,0,0]=4 215 B15R1.124 CC(=O)OCC(=O)C1=CC=CC(=C1F)F MCULE-1120309643 [0,1,0,0,0,0|3,0,0]=4 216 B15R1.124 CC1=C(C(=CC=C1)C(=O)NCC(=O)O)C MCULE-6941805529 [0,1,0,0,0,0|2,0,0]=3 217 B15R1.124 CC1=C(C=CC=C1C(=O)C=CC(=O)O)Cl MCULE-3069049049 [0,1,0,0,0,0|1,0,2]=4 218 B15R1.124 CC1=C(C=CC=C1C(=O)CCC(=O)O)Cl MCULE-4712484330 [0,1,0,0,0,0|1,0,0]=2 219 B15R1.124 CC1=C(C=CC=C1F)C(=O)CCC(=O)O MCULE-6724474060 [0,1,0,0,0,0|1,0,0]=2 220 B15R1.124 CC1=CC=CC(=C1C)C(=O)C=CC(=O)O MCULE-3341576745 [0,1,0,0,0,0|1,0,2]=4 221 B15R1.124 CC1=CC=CC(=C1C)C(=O)CCC(=O)O MCULE-6393403526 [0,1,0,0,0,0|1,0,0]=2 222 B15R1.124 O=C(O)CCC(=O)C1=C(C(=CC=C1)F)F MCULE-1932522125 [0,1,0,0,0,0|1,0,0]=2 223 B15R1.124 O=C(O)CCC(=O)C1=CC=CC(=C1Cl)Cl MCULE-8339097599 [0,1,0,0,0,0|1,0,0]=2 224 B15R1.124 O=C(O)CNC(=O)C1=CC=CC(=C1Cl)Cl MCULE-5451226805 [0,1,0,0,0,0|2,0,0]=3 225 B15R1.124 O=C(O)CNC(=O)C1=CC=CC(=C1F)F MCULE-8839460610 [0,1,0,0,0,0|2,0,0]=3 226 B15R1.5793 CC(CC(=O)C1=C(C=CC=C1)F)C(=O)O MCULE-5553807204 [0,1,0,0,0,0|1,0,0]=2 227 B15R1.5793 CC(NC(=O)C1=C(C=CC=C1)Br)C(=O)O MCULE-9744607508 [0,1,0,0,0,0|2,0,0]=3 228 B15R1.5793 CC(NC(=O)C1=C(C=CC=C1)Cl)C(=O)O MCULE-3201363242 [0,1,0,0,0,0|2,0,0]=3 229 B15R1.5793 CC(NC(=O)C1=C(C=CC=C1)F)C(=O)O MCULE-5170187177 [0,1,0,0,0,0|2,0,0]=3 230 B15R1.5793 CC(NC(=O)C1=CC=CC=C1N)C(=O)O MCULE-8424560776 [0,1,0,0,0,0|1,0,0]=2 231 B15R1.5793 CC1=C(C=CC=C1)C(=O)NC(C)C(=O)O MCULE-6901288789 [0,1,0,0,0,0|2,0,0]=3 232 B15R1.5793 NC1=C(C=CC=C1)C(=O)CC(N)C(=O)O MCULE-6365994952 [0,1,0,0,0,0|0,0,0]=1 233 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-3000532519 [0,1,0,0,0,0|0,0,0]=1 234 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-4921407586 [0,1,0,0,0,0|0,0,0]=1 235 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@H](N)C(=O)O MCULE-9931264693 [0,1,0,0,0,0|0,0,0]=1 236 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O MCULE-5768672194 [0,1,0,0,0,0|0,0,0]=1 237 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-4252266743 [0,1,0,0,0,0|0,0,0]=1 238 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-6921924741 [0,1,0,0,0,0|0,0,0]=1 239 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-2954767871 [0,1,0,0,0,0|0,0,0]=1 240 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-3184741194 [0,1,0,0,0,0|0,0,0]=1 241 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-5938770114 [0,1,0,0,0,0|0,0,0]=1 242 B15R1.5793 N[C@H](CC(=O)C1=CC=CC=C1O)C(=O)O MCULE-9198472086 [0,1,0,0,0,0|1,0,0]=2 243 B15R1.5815 CC1=CC=CC=C1C(=O)NCC(=O)NN MCULE-3650320689 [0,1,0,0,0,0|3,0,0]=4 244 B15R1.5815 COC(=O)CCC(=O)C1=C(C=CC=C1)C MCULE-1097276432 [0,1,0,0,0,0|1,0,0]=2 245 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1Cl MCULE-2127629479 [0,1,0,0,0,0|1,0,0]=2 246 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1F MCULE-7567452938 [0,1,0,0,0,0|1,0,0]=2 247 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1N MCULE-1803143526 [0,1,0,0,0,0|0,0,0]=1 248 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)Br MCULE-8467309796 [0,1,0,0,0,0|2,0,0]=3 249 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)C MCULE-2496825959 [0,1,0,0,0,0|2,0,0]=3 250 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)F MCULE-8275084306 [0,1,0,0,0,0|2,0,0]=3 251 B15R1.5815 COC(=O)CNC(=O)C1=C(C=CC=C1)O MCULE-8118889419 [0,1,0,0,0,0|2,0,0]=3 252 B15R1.5815 COC(=O)CNC(=O)C1=C(C=NC=C1)Br MCULE-5334126674 [0,1,0,0,0,0|3,0,0]=4 253 B15R1.5815 COC(=O)CNC(=O)C1=CC=CC=C1Cl MCULE-5391903848 [0,1,0,0,0,0|2,0,0]=3 254 B15R1.5815 COC(=O)COC(=O)C1=CC=CC=C1N MCULE-1010130696 [0,1,0,0,0,0|1,0,0]=2 255 B15R1.5815 COC(=O)NNC(=O)C1=C(C=CC=C1)Br MCULE-5933402282 [0,1,0,0,0,0|3,0,0]=4 256 B15R1.5815 COC(=O)NNC(=O)C1=C(C=CC=C1)C MCULE-4742726007 [0,1,0,0,0,0|3,0,0]=4 257 B15R1.5815 COC(=O)NNC(=O)C1=C(C=CC=C1)Cl MCULE-6058046621 [0,1,0,0,0,0|3,0,0]=4 258 B15R1.5815 NNC(=O)CNC(=O)C1=C(C=CC=C1)Br MCULE-2628048266 [0,1,0,0,0,0|3,0,0]=4 259 B15R1.5815 NNC(=O)CNC(=O)C1=C(C=CC=C1)Cl MCULE-3342573832 [0,1,0,0,0,0|3,0,0]=4 260 B15R1.5815 NNC(=O)CNC(=O)C1=C(C=CC=C1)I MCULE-2062572821 [0,1,0,0,0,0|3,0,0]=4 261 B15R1.5815 NNC(=O)CNC(=O)C1=CC=CC=C1F MCULE-4652377468 [0,1,0,0,0,0|3,0,0]=4 262 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1C)Br MCULE-8128355740 [0,1,0,0,0,0|3,0,0]=4 263 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1C)C MCULE-6897655398 [0,1,0,0,0,0|3,0,0]=4 264 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1C)Cl MCULE-4037487057 [0,1,0,0,0,0|3,0,0]=4 265 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1C)F MCULE-9497395259 [0,1,0,0,0,0|3,0,0]=4 266 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1Cl)Br MCULE-5667344027 [0,1,0,0,0,0|3,0,0]=4 267 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1Cl)C MCULE-6246732981 [0,1,0,0,0,0|3,0,0]=4 268 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-9709387484 [0,1,0,0,0,0|3,0,0]=4 269 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1Cl)F MCULE-2678078275 [0,1,0,0,0,0|3,0,0]=4 270 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1F)Br MCULE-7902338648 [0,1,0,0,0,0|3,0,0]=4 271 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1F)C MCULE-1578350614 [0,1,0,0,0,0|3,0,0]=4 272 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1F)Cl MCULE-9838304191 [0,1,0,0,0,0|3,0,0]=4 273 B15R1.5822 CC(=O)OCC(=O)C1=CC=C(C=C1F)F MCULE-5878259817 [0,1,0,0,0,0|3,0,0]=4 274 B15R1.5822 CC1=C(C=CC(=C1)Br)C(=O)CCC(=O)O MCULE-3365320987 [0,1,0,0,0,0|1,0,0]=2 275 B15R1.5822 CC1=C(C=CC(=C1)Cl)C(=O)CCC(=O)O MCULE-9904729684 [0,1,0,0,0,0|1,0,0]=2 276 B15R1.5822 CC1=C(C=CC(=C1)F)C(=O)CCC(=O)O MCULE-7844028354 [0,1,0,0,0,0|1,0,0]=2 277 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)C MCULE-1217203099 [0,1,0,0,0,0|1,0,0]=2 278 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)O MCULE-2144936141 [0,1,0,0,0,0|1,0,0]=2 279 B15R1.5822 CC1=CC(=C(C=C1)C(=O)NCC(=O)O)C MCULE-4705141518 [0,1,0,0,0,0|2,0,0]=3 280 B15R1.5822 CC1=CC(=C(C=C1)C(O)CCC(=O)O)C MCULE-6472511326 [0,1,0,0,0,0|1,0,2]=4 281 B15R1.5822 CC1=CC(=CC=C1C(=O)C=CC(=O)O)Cl MCULE-1442286688 [0,1,0,0,0,0|1,0,2]=4 282 B15R1.5822 CC1=CC(=CC=C1C(=O)C=CC(=O)O)F MCULE-9795787759 [0,1,0,0,0,0|1,0,2]=4 283 B15R1.5822 CC1=CC(=CC=C1C(=O)CCC(=O)O)O MCULE-8830180430 [0,1,0,0,0,0|1,0,0]=2 284 B15R1.5822 CC1=CC=C(C(=C1)C)C(=O)C=CC(=O)O MCULE-2132021297 [0,1,0,0,0,0|1,0,2]=4 285 B15R1.5822 NC1=CC(=C(C=C1)C(=O)NCC(=O)O)Cl MCULE-9728589314 [0,1,0,0,0,0|2,0,0]=3 286 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-9161187984 [0,1,0,0,0,0|1,0,0]=2 287 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-3424416401 [0,1,0,0,0,0|1,0,0]=2 288 B15R1.5822 O=C(O)CCC(=O)C1=C(C=C(C=C1)F)F MCULE-6392169917 [0,1,0,0,0,0|1,0,0]=2 289 B15R1.5822 O=C(O)CCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-9044267496 [0,1,0,0,0,0|1,0,0]=2 290 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)Cl MCULE-1796326683 [0,1,0,0,0,0|2,0,0]=3 291 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)F)F MCULE-6711985990 [0,1,0,0,0,0|2,0,0]=3 292 B15R1.5822 O=C(O)CNC(=O)C1=CC=C(C=C1Cl)Cl MCULE-1446047797 [0,1,0,0,0,0|2,0,0]=3 293 B15R1.5822 O=C(O)CNC(=O)C1=CC=C(C=C1F)Cl MCULE-5024817649 [0,1,0,0,0,0|2,0,0]=3 294 B15R1.5822 O=C(O)CNC(=O)C1=NC=C(C=C1O)O MCULE-9899712511 [0,1,0,0,0,0|3,0,0]=4 295 B15R1.8020 CC1=C(C=CC=C1)S(=O)(=O)CCC(=O)O MCULE-4943719900 [0,1,0,0,0,0|2,0,0]=3 296 B15R1.8020 NC1=C(C=CC=C1)S(=O)(=O)NCC(=O)O MCULE-8091861307 [0,1,0,0,0,0|2,0,0]=3 297 B15R1.8020 NC1=CC=CC=C1S(=O)(=O)NCC(=O)O MCULE-7394308777 [0,1,0,0,0,0|2,0,0]=3 298 B15R1.8020 O=C(O)CCS(=O)(=O)C1=C(C=CC=C1)Cl MCULE-8495260759 [0,1,0,0,0,0|2,0,0]=3 299 B15R1.8020 O=C(O)CCS(=O)(=O)C1=C(C=CC=C1)F MCULE-8833251225 [0,1,0,0,0,0|2,0,0]=3 300 B15R1.8020 O=C(O)CNS(=O)(=O)C1=C(C=CC=C1)Cl MCULE-9365456013 [0,1,0,0,0,0|3,0,0]=4 301 B15R1.8020 O=C(O)CNS(=O)(=O)C1=CC=CC=C1F MCULE-4166115801 [0,1,0,0,0,0|3,0,0]=4 302 B15R1.8020 O=C(O)CNS(=O)(=O)C1=CC=CC=C1I MCULE-8951227867 [0,1,0,0,0,0|3,0,0]=4 303 B15R1.8312 CC(=O)OCC(=O)C1=C(C=CC=C1C)C MCULE-9299450962 [0,1,0,0,0,0|3,0,0]=4 304 B15R1.8312 CC(=O)OCC(=O)C1=C(C=CC=C1Cl)C MCULE-8821378551 [0,1,0,0,0,0|3,0,0]=4 305 B15R1.8312 CC(=O)OCC(=O)C1=C(C=CC=C1Cl)Cl MCULE-4526167461 [0,1,0,0,0,0|3,0,0]=4 306 B15R1.8312 CC(=O)OCC(=O)C1=C(C=CC=C1F)F MCULE-8246615096 [0,1,0,0,0,0|3,0,0]=4 307 B15R1.8312 CC1=CC=CC(=C1C(=O)NCC(=O)O)C MCULE-7700143088 [0,1,0,0,0,0|2,0,0]=3 308 B15R1.8312 O=C(O)CCC(=O)C1=C(C=CC=C1F)Cl MCULE-7978441645 [0,1,0,0,0,0|1,0,0]=2 309 B15R1.8312 O=C(O)CCC(=O)C1=C(C=CC=C1F)F MCULE-5316640474 [0,1,0,0,0,0|1,0,0]=2 310 B15R1.8312 O=C(O)CNC(=O)C1=C(C=CC=C1F)Cl MCULE-3019496564 [0,1,0,0,0,0|2,0,0]=3 311 B15R1.8312 O=C(O)CNC(=O)C1=C(C=CC=C1F)F MCULE-5403245119 [0,1,0,0,0,0|2,0,0]=3 312 B15R1.8420 C(=CC(=O)C1=CC(=CC=C1O)C)C(=O)O MCULE-1156827451 [0,1,0,0,0,0|1,0,2]=4 313 B15R1.8420 CC(=O)OCC(=O)C1=C(C=CC(=C1)Br)F MCULE-6446786932 [0,1,0,0,0,0|3,0,0]=4 314 B15R1.8420 CC(=O)OCC(=O)C1=CC(=CC=C1C)C MCULE-7115626661 [0,1,0,0,0,0|3,0,0]=4 315 B15R1.8420 CC(=O)OCC(=O)C1=CC(=CC=C1C)Cl MCULE-8208789023 [0,1,0,0,0,0|3,0,0]=4 316 B15R1.8420 CC(=O)OCC(=O)C1=CC(=CC=C1C)F MCULE-1058527023 [0,1,0,0,0,0|3,0,0]=4 317 B15R1.8420 CC(=O)OCC(=O)C1=CC(=CC=C1Cl)C MCULE-2871795680 [0,1,0,0,0,0|3,0,0]=4 318 B15R1.8420 CC(=O)OCC(=O)C1=CC(=CC=C1Cl)Cl MCULE-8192424282 [0,1,0,0,0,0|3,0,0]=4 319 B15R1.8420 CC(=O)OCC(=O)C1=CC(=CC=C1Cl)F MCULE-7961258072 [0,1,0,0,0,0|3,0,0]=4 320 B15R1.8420 CC(=O)OCC(=O)C1=CC(=CC=C1F)F MCULE-7226059525 [0,1,0,0,0,0|3,0,0]=4 321 B15R1.8420 CC1=C(C=C(C=C1)F)C(=O)CCC(=O)O MCULE-3379843819 [0,1,0,0,0,0|1,0,0]=2 322 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)C=CC(=O)O MCULE-8762872566 [0,1,0,0,0,0|1,0,2]=4 323 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O MCULE-9528888610 [0,1,0,0,0,0|1,0,0]=2 324 B15R1.8420 CC1=CC(=C(C=C1)C)C(=O)NCC(=O)O MCULE-1892994704 [0,1,0,0,0,0|2,0,0]=3 325 B15R1.8420 CC1=CC(=C(C=C1)O)C(=O)CCC(=O)O MCULE-3125812363 [0,1,0,0,0,0|1,0,0]=2 326 B15R1.8420 CC1=CC=C(C(=C1)C(C)CCC(=O)O)C MCULE-3352312119 [0,1,0,0,0,0|2,0,1]=4 327 B15R1.8420 CC1=CC=C(C=C1C(=O)C=CC(=O)O)Cl MCULE-1333389268 [0,1,0,0,0,0|1,0,2]=4 328 B15R1.8420 CC1=CC=C(C=C1C(=O)C=CC(=O)O)F MCULE-8803234460 [0,1,0,0,0,0|1,0,2]=4 329 B15R1.8420 CC1=CC=C(C=C1C(=O)CCC(=O)O)Cl MCULE-8066300435 [0,1,0,0,0,0|1,0,0]=2 330 B15R1.8420 NC1=CC(=C(C=C1)Cl)C(=O)NCC(=O)O MCULE-3839576032 [0,1,0,0,0,0|2,0,0]=3 331 B15R1.8420 O=C(O)C=CC(=O)C1=CC(=CC=C1Cl)Cl MCULE-3623573181 [0,1,0,0,0,0|1,0,2]=4 332 B15R1.8420 O=C(O)C=CC(=O)C1=CC(=CC=C1O)Br MCULE-3255566103 [0,1,0,0,0,0|1,0,2]=4 333 B15R1.8420 O=C(O)C=CC(=O)C1=CC(=CC=C1O)F MCULE-2232698288 [0,1,0,0,0,0|1,0,2]=4 334 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-8344112034 [0,1,0,0,0,0|1,0,0]=2 335 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)Cl)O MCULE-6833605014 [0,1,0,0,0,0|1,0,0]=2 336 B15R1.8420 O=C(O)CCC(=O)C1=C(C=CC(=C1)F)F MCULE-3284798502 [0,1,0,0,0,0|1,0,0]=2 337 B15R1.8420 O=C(O)CNC(=O)C1=C(C=CC(=C1)Br)O MCULE-3612586224 [0,1,0,0,0,0|2,0,0]=3 338 B15R1.8420 O=C(O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-8785487925 [0,1,0,0,0,0|2,0,0]=3 339 B15R1.8420 O=C(O)CNC(=O)C1=C(C=CC(=C1)I)Cl MCULE-3996507713 [0,1,0,0,0,0|2,0,0]=3 340 B15R1.8420 O=C(O)CNC(=O)C1=CC(=CC=C1O)O MCULE-7568951474 [0,1,0,0,0,0|2,0,0]=3 341 B15R1.10019 CCN(CCC(=O)O)C1=C(C=CC=C1)F MCULE-7515033817 [0,1,0,0,0,0|3,0,0]=4 342 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [0,0,0,1,0,0|2,0,0]=3 343 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [0,0,0,1,0,0|3,0,0]=4 344 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [0,0,0,1,0,0|2,0,0]=3 345 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [0,0,0,1,0,0|3,0,0]=4 346 B15R2.6 O=C(O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-6532813939 [0,0,0,1,0,0|1,0,2]=4 347 B15R2.6 O=C(O)/C=C\C1=CNC2=CC=CC=C12 MCULE-5749603036 [0,0,0,1,0,0|1,0,2]=4 348 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 MCULE-2676235699 [0,0,0,1,0,0|1,0,2]=4 349 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [0,0,0,1,0,0|1,0,0]=2 350 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [0,0,0,1,0,0|2,0,0]=3 351 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [0,0,0,1,0,0|2,0,0]=3 352 B15R2.6 O=C(O)CCC1=NC=C2N1C=CC=C2 MCULE-9041931475 [0,0,0,1,0,0|3,0,0]=4 353 B15R2.6 O=C(O)CCC1=NN=C2N1C=CC=C2 MCULE-2094905254 [0,0,0,1,0,0|2,0,1]=4 354 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MCULE-2665228438 [0,0,0,1,0,0|2,0,0]=3 355 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 MCULE-6766064162 [0,0,0,1,0,0|2,0,1]=4 356 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [0,0,0,1,0,0|1,0,1]=3 357 B15R2.6 O=C(O)CCC1N=CC2=CC=CC=C12 MCULE-9471558672 [0,0,0,1,0,0|2,0,1]=4 358 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [0,0,0,1,0,0|3,0,0]=4 359 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [0,0,0,1,0,0|2,0,1]=4 360 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [0,0,0,1,0,0|2,0,1]=4 361 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [0,0,0,1,0,0|2,0,1]=4 362 B15R2.6 O=C(O)CCN1CCC2=C1C=CC=C2 MCULE-1199479089 [0,0,0,1,0,0|3,0,0]=4 363 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 MCULE-4830644797 [0,0,0,1,0,0|3,0,0]=4 364 B15R2.6 O=C(O)CCN1N=NC2=C1C=CC=C2 MCULE-8188700361 [0,0,0,1,0,0|2,0,1]=4 365 B15R2.6 O=C(O)CNC1=NCC2=C1C=CC=C2 MCULE-9135692160 [0,0,0,1,0,0|3,0,0]=4 366 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [0,0,0,1,0,0|2,0,0]=3 367 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [0,0,0,1,0,0|2,0,0]=3 368 B15R2.308 O=C1CCC(=NN1)C2=C(C=CC=C2)F MCULE-7277311026 [0,0,0,1,0,0|3,0,0]=4 369 B15R2.308 O=C1CCC(=NN1)C2=C(C=CC=C2)O MCULE-6154096325 [0,0,0,1,0,0|3,0,0]=4 370 B15R2.308 O=C1CCC(=NN1)C2=CC=CC=C2Cl MCULE-6856412470 [0,0,0,1,0,0|3,0,0]=4 371 B15R2.629 CC(=O)CN1CC2=C(C1=O)C=CC=C2 MCULE-9326586058 [0,0,0,1,0,0|3,0,0]=4 372 B15R2.629 CC1=C(OC2=CC=CC=C12)CC(=O)O MCULE-9417857957 [0,0,0,1,0,0|2,0,1]=4 373 B15R2.629 CC1=C(SC2=C1C=CC=C2)CC(=O)O MCULE-9945089660 [0,0,0,1,0,0|2,0,1]=4 374 B15R2.629 N[C@H]1C2=C(C=CC=C2)CC1CC(=O)O MCULE-9193372751 [0,0,0,1,0,0|2,0,1]=4 375 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 MCULE-1402715967 [0,0,0,1,0,0|1,0,0]=2 376 B15R2.629 O=C(O)CC1CC2=C(C1O)C=CC=C2 MCULE-5717829296 [0,0,0,1,0,0|1,0,2]=4 377 B15R2.629 O=C(O)CN1CC2=C(C1=O)C=CC=C2 MCULE-2296148847 [0,0,0,1,0,0|2,0,0]=3 378 B15R2.629 O=C(O)CN1N=C2C=CC=CN2C1=O MCULE-2950617396 [0,0,0,1,0,0|2,0,1]=4 379 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O MCULE-9472624821 [0,0,0,1,0,0|1,0,0]=2 380 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O MCULE-3963413972 [0,0,0,1,0,0|2,0,0]=3 381 B15R2.8791 CC1(CC1C(=O)O)C2=CC=CC=C2Cl MCULE-6541685643 [0,0,0,1,0,0|2,0,1]=4 382 B15R2.8791 CC1=CC=CC=C1C2(CC2C(=O)O)C MCULE-4642907874 [0,0,0,1,0,0|2,0,1]=4 383 B15R2.14951 CC(=O)C1CC2=C(C=CC=C2)C(=O)O1 MCULE-8798283850 [0,0,0,1,0,0|3,0,0]=4 384 B15R2.14951 CC(=O)N1CC(=O)C2=C(C1)C=CC=C2 MCULE-6491441562 [0,0,0,1,0,0|3,0,0]=4 385 B15R2.14951 CN1CC(CC2=C1C=CC=C2)C(=O)O MCULE-9335882977 [0,0,0,1,0,0|3,0,0]=4 386 B15R2.14951 CN1CC(OC2=C1C=CC=C2)C(=O)O MCULE-5841684206 [0,0,0,1,0,0|3,0,0]=4 387 B15R2.14951 NC(=O)C1=CC(=O)C2=C(N1)C=CC=C2 MCULE-2037103719 [0,0,0,1,0,0|1,0,2]=4 388 B15R2.14951 O=C(O)C1=CC(=O)C2=C(N1)C=CC=C2 MCULE-4310803796 [0,0,0,1,0,0|0,0,2]=3 389 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 MCULE-9387531298 [0,0,0,1,0,0|1,0,2]=4 390 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-8575275090 [0,0,0,1,0,0|2,0,1]=4 391 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 MCULE-2825805140 [0,0,0,1,0,0|2,0,1]=4 392 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-4240347478 [0,0,0,1,0,0|2,0,1]=4 393 B15R2.14951 O=C(O)C1=NC2=C(C=CC=C2)C(=O)N1 MCULE-7255562861 [0,0,0,1,0,0|1,0,2]=4 394 B15R2.14951 O=C(O)C1CC(C2=C(O1)C=CC=C2)O MCULE-2276202864 [0,0,0,1,0,0|1,0,2]=4 395 B15R2.14951 O=C(O)[C@H]1C[C@H](C2=C(O1)C=CC=C2)O MCULE-6991892382 [0,0,0,1,0,0|1,0,2]=4 396 B15R2.14951 O=C1CC(CC2=CC=CC=C12)C(=O)O MCULE-9167871622 [0,0,0,1,0,0|1,0,0]=2 397 B15R2.14951 O=C1CC(NC2=C1C=CC=C2)C(=O)O MCULE-4668772511 [0,0,0,1,0,0|0,0,0]=1 398 B15R2.14951 O=C1CC(OC2=CC=CC=C12)C(=O)O MCULE-4926347738 [0,0,0,1,0,0|1,0,0]=2 399 B15R2.14951 O=C1CC(SC2=CC=CC=C12)C(=O)O MCULE-1467187532 [0,0,0,1,0,0|1,0,0]=2 400 B15R2.14951 O=C1C[C@H](CC2=C1C=CC=C2)C(=O)O MCULE-4882614324 [0,0,0,1,0,0|1,0,0]=2 401 B15R2.14951 O=C1NC(CC2=CC=CC=C12)C(=O)O MCULE-8729946381 [0,0,0,1,0,0|2,0,0]=3 402 B15R2.14951 O=C1OC(CC2=C1C=CC=C2)C(=O)O MCULE-6471951001 [0,0,0,1,0,0|2,0,0]=3 403 B13R1.168 CC1=C(C=CO1)C(=O)NCC(=O)O MCULE-9556259571 [0,0,0,0,1,0|3,0,0]=4 404 B13R1.168 CC1=C(SC=C1)C(=O)CCC(=O)O MCULE-2557631638 [0,0,0,0,1,0|2,0,0]=3 405 B13R1.201 CC(=CC(=O)O)C1=C(C=CC=C1)C MCULE-8787555330 [0,0,0,0,1,0|2,0,1]=4 406 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Br MCULE-2737241459 [0,0,0,0,1,0|2,0,0]=3 407 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Cl MCULE-2583207227 [0,0,0,0,1,0|2,0,0]=3 408 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)F MCULE-4656353581 [0,0,0,0,1,0|2,0,0]=3 409 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)O MCULE-1995801466 [0,0,0,0,1,0|2,0,0]=3 410 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C MCULE-8100231015 [0,0,0,0,1,0|2,0,0]=3 411 B13R1.201 CC(=O)CC(=O)C1=CC=NC=C1Cl MCULE-8481514773 [0,0,0,0,1,0|3,0,0]=4 412 B13R1.201 CC(=O)NC(=O)C1=C(C=CC=C1)O MCULE-4595234522 [0,0,0,0,1,0|3,0,0]=4 413 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br MCULE-5346134558 [0,0,0,0,1,0|2,0,1]=4 414 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Cl MCULE-6381795911 [0,0,0,0,1,0|2,0,1]=4 415 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F MCULE-9853096824 [0,0,0,0,1,0|2,0,1]=4 416 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O MCULE-1940027299 [0,0,0,0,1,0|2,0,1]=4 417 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O MCULE-3857105495 [0,0,0,0,1,0|2,0,1]=4 418 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O MCULE-8413444787 [0,0,0,0,1,0|2,0,1]=4 419 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O MCULE-3601172192 [0,0,0,0,1,0|2,0,1]=4 420 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O MCULE-6049562326 [0,0,0,0,1,0|2,0,1]=4 421 B13R1.201 CC1=CC=CC=C1C(O)CC(=O)O MCULE-4101559300 [0,0,0,0,1,0|1,0,2]=4 422 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O MCULE-1733307768 [0,0,0,0,1,0|2,0,1]=4 423 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O MCULE-9693068609 [0,0,0,0,1,0|2,0,1]=4 424 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O MCULE-3290294040 [0,0,0,0,1,0|2,0,1]=4 425 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O MCULE-9561799195 [0,0,0,0,1,0|2,0,1]=4 426 B13R1.201 CS(=O)CC(=O)C1=CC=CC=C1O MCULE-5150119731 [0,0,0,0,1,0|3,0,0]=4 427 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl MCULE-6871814675 [0,0,0,0,1,0|2,0,1]=4 428 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F MCULE-8493662538 [0,0,0,0,1,0|2,0,1]=4 429 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)I MCULE-4417945438 [0,0,0,0,1,0|2,0,1]=4 430 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)O MCULE-3137402305 [0,0,0,0,1,0|2,0,1]=4 431 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br MCULE-1406006969 [0,0,0,0,1,0|2,0,1]=4 432 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl MCULE-9668686300 [0,0,0,0,1,0|2,0,1]=4 433 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1O MCULE-4239540894 [0,0,0,0,1,0|2,0,1]=4 434 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br MCULE-7220804757 [0,0,0,0,1,0|2,0,1]=4 435 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br MCULE-9590414534 [0,0,0,0,1,0|2,0,1]=4 436 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-4469915688 [0,0,0,0,1,0|2,0,1]=4 437 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-5664240919 [0,0,0,0,1,0|2,0,1]=4 438 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-9832661970 [0,0,0,0,1,0|2,0,1]=4 439 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F MCULE-2384747150 [0,0,0,0,1,0|2,0,1]=4 440 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F MCULE-5490656771 [0,0,0,0,1,0|2,0,1]=4 441 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-2620729398 [0,0,0,0,1,0|2,0,1]=4 442 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-2656571420 [0,0,0,0,1,0|2,0,1]=4 443 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-4322632726 [0,0,0,0,1,0|2,0,1]=4 444 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1O MCULE-8993392147 [0,0,0,0,1,0|2,0,1]=4 445 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Br MCULE-3525799799 [0,0,0,0,1,0|2,0,1]=4 446 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Br MCULE-6236115781 [0,0,0,0,1,0|2,0,1]=4 447 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-5036741280 [0,0,0,0,1,0|2,0,1]=4 448 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Cl MCULE-5834515363 [0,0,0,0,1,0|2,0,1]=4 449 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F MCULE-9123726609 [0,0,0,0,1,0|2,0,1]=4 450 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F MCULE-9436072511 [0,0,0,0,1,0|2,0,1]=4 451 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1O MCULE-1572169056 [0,0,0,0,1,0|2,0,1]=4 452 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1O MCULE-5924484826 [0,0,0,0,1,0|2,0,1]=4 453 B13R1.201 O=C(O)CC(=O)C1=CC=CC=C1Cl MCULE-2599664916 [0,0,0,0,1,0|1,0,0]=2 454 B13R1.201 O=C(O)CC(O)C1=CC=CC=C1Cl MCULE-8252179218 [0,0,0,0,1,0|1,0,2]=4 455 B13R1.201 O=C(O)CC(O)C1=CC=CC=C1F MCULE-6216788990 [0,0,0,0,1,0|1,0,2]=4 456 B15R1.256 C(=CC(=O)NC1=CC=CC=C1Br)C(=O)O MCULE-2673402790 [0,0,0,0,0,1|1,0,2]=4 457 B15R1.256 CC(=O)OCC(=O)NC1=C(C=CC=C1)C MCULE-3020461432 [0,0,0,0,0,1|3,0,0]=4 458 B15R1.256 CC(=O)OCC(=O)NC1=C(C=CC=C1)F MCULE-7027628205 [0,0,0,0,0,1|3,0,0]=4 459 B15R1.256 CC1=C(C=CC=C1)CC(=O)NCC(=O)O MCULE-7839195328 [0,0,0,0,0,1|2,0,0]=3 460 B15R1.256 CC1=C(C=CC=C1)NC(=O)CNC(=O)N MCULE-7853930862 [0,0,0,0,0,1|3,0,0]=4 461 B15R1.256 CC1=C(N=CC=C1)NC(=O)CCC(=O)O MCULE-2710935692 [0,0,0,0,0,1|2,0,0]=3 462 B15R1.256 CC1=CC=CC=C1NC(=O)C=CC(=O)O MCULE-1984981360 [0,0,0,0,0,1|1,0,2]=4 463 B15R1.256 CC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-1336542091 [0,0,0,0,0,1|1,0,0]=2 464 B15R1.256 NC(=O)SCC(=O)NC1=C(C=CC=C1)Br MCULE-4911090591 [0,0,0,0,0,1|3,0,0]=4 465 B15R1.256 NC(=O)SCC(=O)NC1=CC=CC=C1Cl MCULE-7816924970 [0,0,0,0,0,1|3,0,0]=4 466 B15R1.256 NC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-5084075843 [0,0,0,0,0,1|0,0,0]=1 467 B15R1.256 O=C(O)/C=C/C(=O)NC1=C(C=CC=C1)O MCULE-1881767823 [0,0,0,0,0,1|1,0,2]=4 468 B15R1.256 O=C(O)/C=C/C(=O)NC1=CC=CC=C1Cl MCULE-1101287487 [0,0,0,0,0,1|1,0,2]=4 469 B15R1.256 O=C(O)/C=C\C(=O)NC1=CC=CC=C1Cl MCULE-8331806638 [0,0,0,0,0,1|1,0,2]=4 470 B15R1.256 O=C(O)C=CC(=O)NC1=C(C=CC=C1)Cl MCULE-9831041157 [0,0,0,0,0,1|1,0,2]=4 471 B15R1.256 O=C(O)C=CC(=O)NC1=C(C=CC=C1)F MCULE-4889435068 [0,0,0,0,0,1|1,0,2]=4 472 B15R1.256 O=C(O)C=CC(=O)NC1=C(C=CC=C1)I MCULE-6759044424 [0,0,0,0,0,1|1,0,2]=4 473 B15R1.256 O=C(O)C=CC(=O)NC1=C(C=CC=C1)O MCULE-2836351251 [0,0,0,0,0,1|1,0,2]=4 474 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)Br MCULE-3740370178 [0,0,0,0,0,1|1,0,0]=2 475 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)Cl MCULE-4039638178 [0,0,0,0,0,1|1,0,0]=2 476 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)F MCULE-2549168717 [0,0,0,0,0,1|1,0,0]=2 477 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)O MCULE-1365039410 [0,0,0,0,0,1|1,0,0]=2 478 B15R1.256 O=C(O)CCC(=O)NC1=CC=CC=C1I MCULE-7518602629 [0,0,0,0,0,1|1,0,0]=2 479 B15R1.256 O=C(O)CCC(=O)NC1=CC=CC=C1S MCULE-3426768184 [0,0,0,0,0,1|1,0,0]=2 480 B15R1.256 O=C(O)CNC(=O)CC1=C(C=CC=C1)Cl MCULE-8315663408 [0,0,0,0,0,1|2,0,0]=3 481 B15R1.8019 CC(=O)CCCC(=O)C1=CC=NC=C1Cl MCULE-6698055061 [0,0,0,0,0,1|3,0,0]=4 482 B15R1.8019 CC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-8627095197 [0,0,0,0,0,1|1,0,0]=2 483 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2620024877 [0,0,0,0,0,1|1,0,0]=2 484 B15R1.8019 CC1=CC=CC=C1C(=O)CSCC(=O)O MCULE-4379850028 [0,0,0,0,0,1|1,0,0]=2 485 B15R1.8019 CN(C)CCNC(=O)C1=C(C=CC=C1)N MCULE-8753657137 [0,0,0,0,0,1|3,0,0]=4 486 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N MCULE-5824849409 [0,0,0,0,0,1|1,0,0]=2 487 B15R1.8019 NC(=O)CCNC(=O)C1=CC=CC=C1Cl MCULE-1012949600 [0,0,0,0,0,1|2,0,0]=3 488 B15R1.8019 NC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2778673340 [0,0,0,0,0,1|0,0,0]=1 489 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Br MCULE-6254117035 [0,0,0,0,0,1|1,0,0]=2 490 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3103349432 [0,0,0,0,0,1|1,0,0]=2 491 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)F MCULE-9757131659 [0,0,0,0,0,1|1,0,0]=2 492 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)I MCULE-1920834995 [0,0,0,0,0,1|1,0,0]=2 493 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Br MCULE-3840784923 [0,0,0,0,0,1|1,0,0]=2 494 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F MCULE-2285078721 [0,0,0,0,0,1|1,0,0]=2 495 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)O MCULE-9964432323 [0,0,0,0,0,1|1,0,0]=2 496 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1Cl MCULE-5544728437 [0,0,0,0,0,1|1,0,0]=2 497 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 MCULE-3625416756 [2,0,0,0,0,0|1,0,1]=4 498 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 MCULE-4179032126 [2,0,0,0,0,0|1,0,0]=3 499 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 MCULE-8999844510 [2,0,0,0,0,0|2,0,0]=4 500 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 MCULE-6715284692 [2,0,0,0,0,0|2,0,0]=4 501 B12R1.30 C=CCSC(=O)C1=CC=CC=C1 MCULE-1930093218 [2,0,0,0,0,0|2,0,0]=4 502 B12R1.30 CCCCC(=O)C1=CC=CC=C1 MCULE-2120491215 [2,0,0,0,0,0|1,0,1]=4 503 B12R1.30 CNCCC(=O)C1=CC=CC=C1 MCULE-2208291090 [2,0,0,0,0,0|2,0,0]=4 504 B12R1.30 CNCCC(=O)C1=CC=CC=C1 MCULE-4546614173 [2,0,0,0,0,0|2,0,0]=4 505 B12R1.30 CSCCC(=O)C1=CC=CC=C1 MCULE-6046193142 [2,0,0,0,0,0|2,0,0]=4 506 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 MCULE-7768008480 [2,0,0,0,0,0|1,0,1]=4 507 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 MCULE-2148211370 [2,0,0,0,0,0|1,0,1]=4 508 B12R1.30 O=C(CCCO)C1=CC=CC=C1 MCULE-5662678881 [2,0,0,0,0,0|0,0,1]=3 509 B12R1.30 O=C(CCCO)C1=CC=CN=C1 MCULE-2625192486 [2,0,0,0,0,0|1,0,1]=4 510 B12R1.30 O=C(NCCO)C1=CC=CC=C1 MCULE-2581769437 [2,0,0,0,0,0|1,0,1]=4 511 B12R1.30 O=C(OCCO)C1=CC=CC=C1 MCULE-8134930207 [2,0,0,0,0,0|1,0,1]=4 512 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 MCULE-9714420241 [2,0,0,0,0,0|1,0,0]=3 513 B12R1.30 O=S(CCCO)C1=CC=CC=C1 MCULE-2389154282 [2,0,0,0,0,0|1,0,1]=4 514 B12R1.252 CC(=O)CCCC1=CC=CC=C1 MCULE-2310771684 [2,0,0,0,0,0|1,0,1]=4 515 B12R1.252 CC(=O)CCSC1=CC=CC=C1 MCULE-5300990067 [2,0,0,0,0,0|2,0,0]=4 516 B12R1.252 NC(=O)CCCC1=CC=CC=C1 MCULE-1491500210 [2,0,0,0,0,0|1,0,1]=4 517 B12R1.252 NC(=O)CCNC1=CC=CC=C1 MCULE-4122162754 [2,0,0,0,0,0|2,0,0]=4 518 B12R1.252 NC(=O)CCOC1=CC=CC=C1 MCULE-9532260813 [2,0,0,0,0,0|2,0,0]=4 519 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 MCULE-6473558795 [2,0,0,0,0,0|1,0,1]=4 520 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 MCULE-5733419248 [2,0,0,0,0,0|2,0,0]=4 521 B12R1.252 O=C(O)C/C=C/C1=CC=CC=C1 MCULE-5944027373 [2,0,0,0,0,0|0,0,1]=3 522 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 MCULE-2602661708 [2,0,0,0,0,0|0,0,2]=4 523 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 MCULE-4504838602 [2,0,0,0,0,0|0,0,1]=3 524 B12R1.252 O=C(O)CCCC1=CC=CC=C1 MCULE-6322732346 [2,0,0,0,0,0|0,0,1]=3 525 B12R1.252 O=C(O)CCCC1=CC=CC=N1 MCULE-8215039373 [2,0,0,0,0,0|1,0,1]=4 526 B12R1.252 O=C(O)CCCC1=CC=CN=C1 MCULE-6410810610 [2,0,0,0,0,0|1,0,1]=4 527 B12R1.252 O=C(O)CCCC1=CC=NC=C1 MCULE-4546370034 [2,0,0,0,0,0|1,0,1]=4 528 B12R1.252 O=C(O)CCCC1=CC=NC=C1 MCULE-8739058216 [2,0,0,0,0,0|1,0,1]=4 529 B12R1.252 O=C(O)CCCC1=CN=CC=C1 MCULE-7663521567 [2,0,0,0,0,0|1,0,1]=4 530 B12R1.252 O=C(O)CCCC1=NC=CC=C1 MCULE-7143898162 [2,0,0,0,0,0|1,0,1]=4 531 B12R1.252 O=C(O)CCNC1=CC=CC=C1 MCULE-3569266068 [2,0,0,0,0,0|1,0,0]=3 532 B12R1.252 O=C(O)CCNC1=NC=CC=C1 MCULE-4522939150 [2,0,0,0,0,0|2,0,0]=4 533 B12R1.252 O=C(O)CCNC1=NC=CC=C1 MCULE-9700879062 [2,0,0,0,0,0|2,0,0]=4 534 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MCULE-4275468983 [2,0,0,0,0,0|1,0,0]=3 535 B12R1.252 O=C(O)CCOC1=CN=CC=C1 MCULE-1674086947 [2,0,0,0,0,0|2,0,0]=4 536 B12R1.252 O=C(O)CCSC1=CC=CC=C1 MCULE-5630558008 [2,0,0,0,0,0|1,0,0]=3 537 B12R1.252 O=C(O)CCSC1=NC=CC=C1 MCULE-5537797131 [2,0,0,0,0,0|2,0,0]=4 538 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 MCULE-5107484134 [2,0,0,0,0,0|1,0,0]=3 539 B12R1.252 O=C(O)CNCC1=CC=CC=C1 MCULE-6444716880 [2,0,0,0,0,0|1,0,1]=4 540 B12R1.252 O=C(O)CNCC1=CC=CC=C1 MCULE-9697304880 [2,0,0,0,0,0|1,0,1]=4 541 B12R1.252 O=C(O)COCC1=CC=CC=C1 MCULE-7716016814 [2,0,0,0,0,0|1,0,1]=4 542 B12R1.252 O=C(O)CSCC1=CC=CC=C1 MCULE-4184308941 [2,0,0,0,0,0|1,0,1]=4 543 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 MCULE-5819625540 [2,0,0,0,0,0|0,0,2]=4 544 B12R1.267 NC1=C(C=CC=C1)OCCCO MCULE-5991608464 [2,0,0,0,0,0|1,0,1]=4 545 B12R1.267 NC1=CC=CC=C1C=NNC=O MCULE-2921857562 [2,0,0,0,0,0|2,0,0]=4 546 B12R1.267 NC1=CC=CC=C1OCCCO MCULE-6112278449 [2,0,0,0,0,0|1,0,1]=4 547 B12R1.308 CC1=C(C=CC=C1)C(=O)CCCl MCULE-1464780713 [2,0,0,0,0,0|2,0,0]=4 548 B12R1.308 CC1=C(C=CC=C1)C(=O)NCO MCULE-7339297231 [2,0,0,0,0,0|2,0,0]=4 549 B12R1.308 CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3486042826 [2,0,0,0,0,0|1,0,1]=4 550 B12R1.308 CCCC(=O)C1=C(C=CC=C1)F MCULE-7431380001 [2,0,0,0,0,0|1,0,1]=4 551 B12R1.308 CCCC(=O)C1=CC=CC=C1Br MCULE-1850145050 [2,0,0,0,0,0|1,0,1]=4 552 B12R1.308 CCCC(=O)C1=CC=CC=C1C MCULE-5316990490 [2,0,0,0,0,0|1,0,1]=4 553 B12R1.308 CCCC(=O)C1=CC=CC=C1O MCULE-8401714108 [2,0,0,0,0,0|1,0,1]=4 554 B12R1.308 CCNC(=O)C1=C(C=CC=C1)N MCULE-6622831636 [2,0,0,0,0,0|1,0,1]=4 555 B12R1.308 CCOC(=O)C1=CC=CC=C1N MCULE-5019508143 [2,0,0,0,0,0|1,0,1]=4 556 B12R1.308 CN(CCO)C1=C(C=CC=C1)N MCULE-7402570907 [2,0,0,0,0,0|2,0,0]=4 557 B12R1.308 N#CCC(=O)C1=CC=CC=C1N MCULE-1298051472 [2,0,0,0,0,0|1,0,1]=4 558 B12R1.308 NC1=CC=CC=C1C(N)CCO MCULE-2075932204 [2,0,0,0,0,0|1,0,1]=4 559 B12R1.308 NC1=CC=CC=C1C(N)CCO MCULE-4134151267 [2,0,0,0,0,0|1,0,1]=4 560 B12R1.308 NC1=CC=CC=C1C(N)CCO MCULE-4885019471 [2,0,0,0,0,0|1,0,1]=4 561 B12R1.308 NC1=CC=CC=C1[C@@H](N)CCO MCULE-5872616315 [2,0,0,0,0,0|1,0,1]=4 562 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N MCULE-1856278005 [2,0,0,0,0,0|1,0,0]=3 563 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N MCULE-3193536846 [2,0,0,0,0,0|1,0,0]=3 564 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N MCULE-4036784099 [2,0,0,0,0,0|1,0,0]=3 565 B12R1.308 O=C(CCCl)C1=C(C=CC=C1)F MCULE-5284658109 [2,0,0,0,0,0|2,0,0]=4 566 B12R1.308 O=C(CCCl)C1=CC=CC=C1O MCULE-6699554613 [2,0,0,0,0,0|2,0,0]=4 567 B12R1.308 O=C(NCO)C1=CC=CC=C1Cl MCULE-6764898944 [2,0,0,0,0,0|2,0,0]=4 568 B12R1.308 O=C(NCO)C1=CC=CC=C1O MCULE-7347717400 [2,0,0,0,0,0|2,0,0]=4 569 B12R1.308 O=CNC(=O)C1=CC=CC=C1O MCULE-2902328279 [2,0,0,0,0,0|2,0,0]=4 570 B14R1.149 CC(=O)OCC(=O)C1=CC(=CC=C1)C MCULE-4938303974 [1,1,0,0,0,0|2,0,0]=4 571 B14R1.149 CC(=O)OCC(=O)C1=CC=CC(=C1)Cl MCULE-6440425629 [1,1,0,0,0,0|2,0,0]=4 572 B14R1.149 CC(=O)OCC(=O)C1=CC=CC(=C1)F MCULE-8276159650 [1,1,0,0,0,0|2,0,0]=4 573 B14R1.149 CC1=CC(=CC=C1)C(=O)C=CC(=O)O MCULE-8282673433 [1,1,0,0,0,0|0,0,2]=4 574 B14R1.149 CC1=CC(=CC=C1)C(=O)NCC(=O)O MCULE-7484823647 [1,1,0,0,0,0|1,0,0]=3 575 B14R1.149 CC1=CC=CC(=C1)C(=O)CCC(=O)O MCULE-7807577634 [1,1,0,0,0,0|0,0,0]=2 576 B14R1.149 CC1=CC=CC(=C1)N(C)CCC(=O)O MCULE-3254503657 [1,1,0,0,0,0|2,0,0]=4 577 B14R1.149 CN(CCC(=O)O)C1=CC(=CC=C1)F MCULE-8819199998 [1,1,0,0,0,0|2,0,0]=4 578 B14R1.149 CN(CCC(=O)O)C1=CC=CC(=C1)F MCULE-4067017697 [1,1,0,0,0,0|2,0,0]=4 579 B14R1.149 NC(=O)CNC(=O)C1=CC(=CC=C1)Cl MCULE-5537650995 [1,1,0,0,0,0|2,0,0]=4 580 B14R1.149 NC(=O)CNC(=O)C1=CC(=CC=C1)N MCULE-5870000723 [1,1,0,0,0,0|2,0,0]=4 581 B14R1.149 NC(=O)CNC(=O)C1=CC(=CC=C1)O MCULE-9713571782 [1,1,0,0,0,0|2,0,0]=4 582 B14R1.149 NC(CCC(=O)O)C1=CC(=CC=C1)Cl MCULE-4748367440 [1,1,0,0,0,0|1,0,1]=4 583 B14R1.149 NC(CCC(=O)O)C1=CC(=CC=C1)Cl MCULE-8697903079 [1,1,0,0,0,0|1,0,1]=4 584 B14R1.149 NC1=CC(=CC=C1)C(=O)CCC(=O)O MCULE-6201544001 [1,1,0,0,0,0|0,0,0]=2 585 B14R1.149 NC1=CC(=CC=C1)C(=O)NCC(=O)O MCULE-3077835834 [1,1,0,0,0,0|1,0,0]=3 586 B14R1.149 O=C(O)C=CC(=O)C1=CC(=CC=C1)F MCULE-4751177911 [1,1,0,0,0,0|0,0,2]=4 587 B14R1.149 O=C(O)C=CC(=O)C1=CC=CC(=C1)Cl MCULE-2193823880 [1,1,0,0,0,0|0,0,2]=4 588 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)Br MCULE-7610800360 [1,1,0,0,0,0|0,0,0]=2 589 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)F MCULE-5006108082 [1,1,0,0,0,0|0,0,0]=2 590 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)I MCULE-7232540112 [1,1,0,0,0,0|0,0,0]=2 591 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(=C1)Cl MCULE-7873897116 [1,1,0,0,0,0|0,0,0]=2 592 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(=C1)O MCULE-3071562168 [1,1,0,0,0,0|0,0,0]=2 593 B14R1.149 O=C(O)CCP(=O)C1=CC=CC(=C1)O MCULE-5477195311 [1,1,0,0,0,0|1,0,0]=3 594 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Br MCULE-6932347294 [1,1,0,0,0,0|1,0,0]=3 595 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Cl MCULE-3974708619 [1,1,0,0,0,0|1,0,0]=3 596 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)F MCULE-6347588199 [1,1,0,0,0,0|1,0,0]=3 597 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)I MCULE-5230103156 [1,1,0,0,0,0|1,0,0]=3 598 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)O MCULE-6063024683 [1,1,0,0,0,0|1,0,0]=3 599 B14R1.149 O=C(O)CNC(=O)C1=CN=CC(=C1)Br MCULE-7983720135 [1,1,0,0,0,0|2,0,0]=4 600 B14R1.149 O=C(O)CNC(=O)C1=CN=CC(=C1)O MCULE-6770044689 [1,1,0,0,0,0|2,0,0]=4 601 B14R1.149 O=C(O)CNC(=O)C1=NC=CC(=C1)Cl MCULE-5157487903 [1,1,0,0,0,0|2,0,0]=4 602 B14R1.163 CNC(=O)CNC(=O)C1=CC=CC=C1 MCULE-8921428415 [1,1,0,0,0,0|2,0,0]=4 603 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 MCULE-3977069548 [1,1,0,0,0,0|0,0,0]=2 604 B14R1.163 COC(=O)CCC(N)C1=CC=CC=C1 MCULE-1668050409 [1,1,0,0,0,0|1,0,1]=4 605 B14R1.163 COC(=O)CCC(N)C1=CC=CC=C1 MCULE-4492355742 [1,1,0,0,0,0|1,0,1]=4 606 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 MCULE-5724434889 [1,1,0,0,0,0|1,0,0]=3 607 B14R1.163 COC(=O)CNC(=O)C1=CC=NC=C1 MCULE-2748443294 [1,1,0,0,0,0|2,0,0]=4 608 B14R1.163 COC(=O)CNC(=S)C1=CC=CC=C1 MCULE-7986820663 [1,1,0,0,0,0|1,1,0]=4 609 B14R1.163 COC(=O)NNC(=O)C1=CC=CC=C1 MCULE-6741551007 [1,1,0,0,0,0|2,0,0]=4 610 B14R1.163 NNC(=O)CNC(=O)C1=CC=CC=C1 MCULE-2921207181 [1,1,0,0,0,0|2,0,0]=4 611 B14R1.163 O=C(CCl)NCC(=O)C1=CC=CC=C1 MCULE-5085860859 [1,1,0,0,0,0|2,0,0]=4 612 B14R1.163 O=C(CNC(=O)C1=CC=CC=C1)NO MCULE-6770995864 [1,1,0,0,0,0|1,0,0]=3 613 B14R1.415 C=C(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-4853546501 [1,1,0,0,0,0|0,0,1]=3 614 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-9497914225 [1,1,0,0,0,0|0,0,0]=2 615 B14R1.415 CC(CC(=O)C1=CC=CC=C1)N(=O)=O MCULE-7159889728 [1,1,0,0,0,0|1,0,1]=4 616 B14R1.415 CC(CN(C)C1=CC=CC=C1)C(=O)O MCULE-5170572205 [1,1,0,0,0,0|2,0,0]=4 617 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 MCULE-5024809530 [1,1,0,0,0,0|1,0,1]=4 618 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O MCULE-7433058130 [1,1,0,0,0,0|1,0,0]=3 619 B14R1.415 CC(NC(=O)C1=CC=CN=C1)C(=O)O MCULE-3389254439 [1,1,0,0,0,0|2,0,0]=4 620 B14R1.415 CC(NC(=O)C1=CC=NC=C1)C(=O)O MCULE-3084790038 [1,1,0,0,0,0|2,0,0]=4 621 B14R1.415 CC(NC(=S)C1=CC=CC=C1)C(=O)O MCULE-9075531346 [1,1,0,0,0,0|1,1,0]=4 622 B14R1.415 CC(SC(=S)C1=CC=CC=C1)C(=O)O MCULE-1144556210 [1,1,0,0,0,0|1,1,0]=4 623 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 MCULE-3052929456 [1,1,0,0,0,0|2,0,0]=4 624 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-1566361142 [1,1,0,0,0,0|1,0,0]=3 625 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-6120803736 [1,1,0,0,0,0|1,0,0]=3 626 B14R1.415 C[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O MCULE-4451462188 [1,1,0,0,0,0|1,0,0]=3 627 B14R1.415 C[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O MCULE-7768626103 [1,1,0,0,0,0|1,0,0]=3 628 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-4658036994 [1,1,0,0,0,0|1,0,0]=3 629 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O MCULE-5031596441 [1,1,0,0,0,0|1,0,0]=3 630 B14R1.415 C[C@H](NC(=O)C1=CC=CN=C1)C(=O)O MCULE-7671247438 [1,1,0,0,0,0|2,0,0]=4 631 B14R1.415 C[C@H](NC(=O)C1=CN=CC=C1)C(=O)O MCULE-1620396926 [1,1,0,0,0,0|2,0,0]=4 632 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7684350557 [1,1,0,0,0,0|0,0,0]=2 633 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8675735814 [1,1,0,0,0,0|0,0,0]=2 634 B14R1.415 NC(NC(=O)C1=CC=CC=C1)C(=O)[O-] MCULE-5401507689 [1,1,0,0,0,0|1,0,1]=4 635 B14R1.415 NC(NC(=O)C1=CC=CC=C1)C(=O)[O-] MCULE-7704723031 [1,1,0,0,0,0|1,0,1]=4 636 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-3401135195 [1,1,0,0,0,0|0,0,0]=2 637 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-6288791296 [1,1,0,0,0,0|0,0,0]=2 638 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7943523013 [1,1,0,0,0,0|0,0,0]=2 639 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8818952296 [1,1,0,0,0,0|0,0,0]=2 640 B14R1.415 O=C(CC(O)C(=O)O)C1=CC=CC=C1 MCULE-6836799308 [1,1,0,0,0,0|0,0,0]=2 641 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 MCULE-5013926210 [1,1,0,0,0,0|1,0,0]=3 642 B14R1.415 O=C(O)C(=CC(=O)C1=CC=CC=C1)O MCULE-1085026176 [1,1,0,0,0,0|0,0,2]=4 643 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 MCULE-2511482745 [1,1,0,0,0,0|0,0,1]=3 644 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CN=C1 MCULE-1902418859 [1,1,0,0,0,0|1,0,1]=4 645 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=NC=C1 MCULE-5649903364 [1,1,0,0,0,0|1,0,1]=4 646 B14R1.417 CC(=CC(=O)O)C(=O)C1=CC=CC=C1 MCULE-4510431752 [1,1,0,0,0,0|0,0,2]=4 647 B14R1.417 CC(=O)NC(O)C(=O)C1=CC=CC=C1 MCULE-5138601626 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.417 CC(CC(=O)O)C(=O)C1=CC=CC=C1 MCULE-5982621882 [1,1,0,0,0,0|0,0,0]=2 649 B14R1.417 CC(CC(=O)O)C(C)C1=CC=CC=C1 MCULE-3172279563 [1,1,0,0,0,0|1,0,1]=4 650 B14R1.417 CC(CC(=O)O)N(C)C1=CC=CC=C1 MCULE-1633572727 [1,1,0,0,0,0|2,0,0]=4 651 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 MCULE-1228361813 [1,1,0,0,0,0|1,0,0]=3 652 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CN=C1 MCULE-1746714218 [1,1,0,0,0,0|2,0,0]=4 653 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=NC=C1 MCULE-3420594365 [1,1,0,0,0,0|2,0,0]=4 654 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 MCULE-5870201023 [1,1,0,0,0,0|0,0,0]=2 655 B14R1.540 CCN(CCC(=O)O)C1=CC=CC=C1 MCULE-7260616442 [1,1,0,0,0,0|2,0,0]=4 656 B14R1.540 NN=C(CCC(=O)O)C1=CC=CC=C1 MCULE-6558474133 [1,1,0,0,0,0|1,0,0]=3 657 B14R1.678 C=C(CCC(=O)O)C1=CC=C(C=C1)C MCULE-6477245701 [1,1,0,0,0,0|1,0,0]=3 658 B14R1.678 CC(=O)CCC(=O)C1=CC=C(C=C1)Br MCULE-8774984944 [1,1,0,0,0,0|1,0,0]=3 659 B14R1.678 CC(=O)CCC(=O)C1=CC=C(C=C1)Cl MCULE-2365620842 [1,1,0,0,0,0|1,0,0]=3 660 B14R1.678 CC(=O)COC(=O)C1=CC=C(C=C1)Cl MCULE-4508935654 [1,1,0,0,0,0|2,0,0]=4 661 B14R1.678 CC(=O)COC(=O)C1=CC=C(C=C1)F MCULE-1403106582 [1,1,0,0,0,0|2,0,0]=4 662 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Br MCULE-1479175344 [1,1,0,0,0,0|2,0,0]=4 663 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Cl MCULE-2792123014 [1,1,0,0,0,0|2,0,0]=4 664 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)F MCULE-8803001924 [1,1,0,0,0,0|2,0,0]=4 665 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br MCULE-9872833423 [1,1,0,0,0,0|2,0,0]=4 666 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)C MCULE-9752039405 [1,1,0,0,0,0|2,0,0]=4 667 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Cl MCULE-3855331581 [1,1,0,0,0,0|2,0,0]=4 668 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)F MCULE-4562932917 [1,1,0,0,0,0|2,0,0]=4 669 B14R1.678 CC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-6606857325 [1,1,0,0,0,0|1,0,1]=4 670 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O MCULE-5176410232 [1,1,0,0,0,0|0,0,2]=4 671 B14R1.678 CC1=CC=C(C=C1)C(=O)C=CC(=O)O MCULE-6112541166 [1,1,0,0,0,0|0,0,2]=4 672 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O MCULE-9689572088 [1,1,0,0,0,0|0,0,0]=2 673 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O MCULE-8012658303 [1,1,0,0,0,0|1,0,0]=3 674 B14R1.678 CC1=CC=C(C=C1)C(=S)CCC(=O)O MCULE-3272818527 [1,1,0,0,0,0|0,1,0]=3 675 B14R1.678 CC1=CC=C(C=C1)C(=S)SCC(=O)O MCULE-7049275296 [1,1,0,0,0,0|1,1,0]=4 676 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O MCULE-9424902827 [1,1,0,0,0,0|1,0,1]=4 677 B14R1.678 CC1=CC=C(C=C1)C(N)CCC(=O)O MCULE-6534537933 [1,1,0,0,0,0|1,0,1]=4 678 B14R1.678 CC1=CC=C(C=C1)C(N)CCC(=O)O MCULE-8934648795 [1,1,0,0,0,0|1,0,1]=4 679 B14R1.678 CC1=CC=C(C=C1)C(O)CCC(=O)O MCULE-7019370248 [1,1,0,0,0,0|0,0,2]=4 680 B14R1.678 CN(CCC(=O)O)C1=CC=C(C=C1)F MCULE-5738325558 [1,1,0,0,0,0|2,0,0]=4 681 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Cl MCULE-9370357819 [1,1,0,0,0,0|2,0,0]=4 682 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N MCULE-8031535339 [1,1,0,0,0,0|2,0,0]=4 683 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)O MCULE-7027847891 [1,1,0,0,0,0|2,0,0]=4 684 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)O MCULE-4613635780 [1,1,0,0,0,0|2,0,0]=4 685 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-5646613493 [1,1,0,0,0,0|1,0,1]=4 686 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br MCULE-8459699060 [1,1,0,0,0,0|1,0,1]=4 687 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)F MCULE-6014730188 [1,1,0,0,0,0|1,0,1]=4 688 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O MCULE-1176356517 [1,1,0,0,0,0|0,0,0]=2 689 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O MCULE-9532170257 [1,1,0,0,0,0|1,0,0]=3 690 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)[O-] MCULE-8947422149 [1,1,0,0,0,0|1,0,1]=4 691 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Br MCULE-5146966283 [1,1,0,0,0,0|0,0,2]=4 692 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Cl MCULE-1059740972 [1,1,0,0,0,0|0,0,2]=4 693 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)F MCULE-4203175937 [1,1,0,0,0,0|0,0,2]=4 694 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)O MCULE-8569399652 [1,1,0,0,0,0|0,0,2]=4 695 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)Br MCULE-5124180336 [1,1,0,0,0,0|0,0,2]=4 696 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)Cl MCULE-2888849940 [1,1,0,0,0,0|0,0,2]=4 697 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)F MCULE-6332207247 [1,1,0,0,0,0|0,0,2]=4 698 B14R1.678 O=C(O)C=CC(=O)C1=CC=C(C=C1)O MCULE-8200590523 [1,1,0,0,0,0|0,0,2]=4 699 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Br MCULE-7627185295 [1,1,0,0,0,0|0,0,0]=2 700 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Cl MCULE-8379277055 [1,1,0,0,0,0|0,0,0]=2 701 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)F MCULE-5194103569 [1,1,0,0,0,0|0,0,0]=2 702 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)I MCULE-4939970301 [1,1,0,0,0,0|0,0,0]=2 703 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O MCULE-5425938673 [1,1,0,0,0,0|0,0,0]=2 704 B14R1.678 O=C(O)CCC(=O)C1=NC=C(C=C1)Cl MCULE-5504476126 [1,1,0,0,0,0|1,0,0]=3 705 B14R1.678 O=C(O)CCC(O)C1=CC=C(C=C1)F MCULE-3515269984 [1,1,0,0,0,0|0,0,2]=4 706 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br MCULE-8295376799 [1,1,0,0,0,0|1,0,0]=3 707 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl MCULE-8225197193 [1,1,0,0,0,0|1,0,0]=3 708 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)F MCULE-3478810812 [1,1,0,0,0,0|1,0,0]=3 709 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)I MCULE-1965812925 [1,1,0,0,0,0|1,0,0]=3 710 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O MCULE-6228249828 [1,1,0,0,0,0|1,0,0]=3 711 B14R1.678 O=C(O)CNC(=O)C1=CC=C(N=C1)Cl MCULE-4802167224 [1,1,0,0,0,0|2,0,0]=4 712 B14R1.813 CC(=O)CCS(=O)(=O)C1=CC=CC=C1 MCULE-6860724118 [1,1,0,0,0,0|2,0,0]=4 713 B14R1.813 CC(C)(CCC(=O)O)C1=CC=CC=C1 MCULE-2264539127 [1,1,0,0,0,0|1,0,1]=4 714 B14R1.813 NC(=O)CCS(=O)(=O)C1=CC=CC=C1 MCULE-2423641601 [1,1,0,0,0,0|2,0,0]=4 715 B14R1.813 O=C(Cl)CCS(=O)(=O)C1=CC=CC=C1 MCULE-1132381727 [1,1,0,0,0,0|2,0,0]=4 716 B14R1.813 O=C(O)CCP(=O)(O)C1=CC=CC=C1 MCULE-6091531275 [1,1,0,0,0,0|1,0,0]=3 717 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 MCULE-1689886413 [1,1,0,0,0,0|1,0,0]=3 718 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 MCULE-4593074116 [1,1,0,0,0,0|2,0,0]=4 719 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O MCULE-7450777454 [1,1,0,0,0,0|2,0,0]=4 720 B14R1.96 COC1=C(C=CC=C1)C=CCC(=O)O MCULE-4833292790 [1,1,0,0,0,0|1,0,1]=4 721 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)O MCULE-8758731302 [1,1,0,0,0,0|2,0,0]=4 722 B14R1.96 COC1=CC=CC=C1CCCC(=O)O MCULE-5200320010 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.96 COC1=CC=CC=C1OCCC(=O)O MCULE-4846511318 [1,1,0,0,0,0|2,0,0]=4 724 B14R1.96 N#CC1=C(C=CC=C1)NCCC(=O)O MCULE-6496076226 [1,1,0,0,0,0|1,0,1]=4 725 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O MCULE-2134906388 [1,1,0,0,0,0|1,0,1]=4 726 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O MCULE-5025555093 [1,1,0,0,0,0|2,0,0]=4 727 B14R1.154 CC1=C(C(=CC=C1)OCCC(=O)O)C MCULE-8347260729 [1,1,0,0,0,0|2,0,0]=4 728 B14R1.154 NC1=C(C(=CC=C1)CCCC(=O)O)F MCULE-9804932514 [1,1,0,0,0,0|1,0,1]=4 729 B14R1.154 O=C(O)CCNC1=CC=CC(=C1Cl)Cl MCULE-5955960892 [1,1,0,0,0,0|2,0,0]=4 730 B14R1.154 O=C(O)CCOC1=C(C(=CC=C1)Cl)Cl MCULE-3728130032 [1,1,0,0,0,0|2,0,0]=4 731 B14R1.161 CC(CCC1=C(C=CC=C1)F)C(=O)O MCULE-3125894288 [1,1,0,0,0,0|1,0,1]=4 732 B14R1.161 CC1=C(C=CC=C1)OCC(O)C(=O)O MCULE-8208271726 [1,1,0,0,0,0|2,0,0]=4 733 B14R1.161 CC1=CC=CC=C1CCC(N)C(=O)O MCULE-3313728333 [1,1,0,0,0,0|1,0,1]=4 734 B14R1.161 CC1=CC=CC=C1CC[C@@H](N)C(=O)O MCULE-8729689255 [1,1,0,0,0,0|1,0,1]=4 735 B14R1.161 CC1=CC=CC=C1CC[C@H](N)C(=O)O MCULE-4824292330 [1,1,0,0,0,0|1,0,1]=4 736 B14R1.161 CC1=CC=CC=C1SCC(N)C(=O)O MCULE-5388935493 [1,1,0,0,0,0|2,0,0]=4 737 B14R1.161 NC(CCC1=C(C=CC=C1)Cl)C(=O)O MCULE-2778189696 [1,1,0,0,0,0|1,0,1]=4 738 B14R1.161 NC(CCC1=CC=CC=C1O)C(=O)O MCULE-2969125555 [1,1,0,0,0,0|1,0,1]=4 739 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-7011799987 [1,1,0,0,0,0|1,0,1]=4 740 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-9761104054 [1,1,0,0,0,0|1,0,1]=4 741 B14R1.161 N[C@@H](CCC1=CC=CC=C1F)C(=O)O MCULE-5338422633 [1,1,0,0,0,0|1,0,1]=4 742 B14R1.337 CC1=C(C=CC=C1)CC(N)CC(=O)O MCULE-7618560265 [1,1,0,0,0,0|1,0,1]=4 743 B14R1.337 CC1=CC=CC=C1CC(N)CC(=O)O MCULE-2779576255 [1,1,0,0,0,0|1,0,1]=4 744 B14R1.337 CC1=CC=CC=C1CC(N)CC(=O)O MCULE-5607482473 [1,1,0,0,0,0|1,0,1]=4 745 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O MCULE-2864698399 [1,1,0,0,0,0|1,0,1]=4 746 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O MCULE-3263167321 [1,1,0,0,0,0|1,0,1]=4 747 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O MCULE-6398311744 [1,1,0,0,0,0|1,0,1]=4 748 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O MCULE-8486657917 [1,1,0,0,0,0|1,0,1]=4 749 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O MCULE-1169777234 [1,1,0,0,0,0|1,0,1]=4 750 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O MCULE-4290522086 [1,1,0,0,0,0|1,0,1]=4 751 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O MCULE-5097678192 [1,1,0,0,0,0|1,0,1]=4 752 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O MCULE-7523973832 [1,1,0,0,0,0|1,0,1]=4 753 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Br MCULE-1131632140 [1,1,0,0,0,0|1,0,1]=4 754 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Br MCULE-2536882341 [1,1,0,0,0,0|1,0,1]=4 755 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Cl MCULE-4930910441 [1,1,0,0,0,0|1,0,1]=4 756 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1Cl MCULE-9764269208 [1,1,0,0,0,0|1,0,1]=4 757 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1F MCULE-2933901635 [1,1,0,0,0,0|1,0,1]=4 758 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1F MCULE-6063163153 [1,1,0,0,0,0|1,0,1]=4 759 B14R1.337 NC(CC(=O)O)CC1=CC=CC=C1O MCULE-6140505667 [1,1,0,0,0,0|1,0,1]=4 760 B14R1.337 N[C@@H](CC(=O)O)CC1=C(C=CC=C1)Br MCULE-5978727770 [1,1,0,0,0,0|1,0,1]=4 761 B14R1.337 N[C@@H](CC(=O)O)CC1=C(C=CC=C1)Br MCULE-9871498280 [1,1,0,0,0,0|1,0,1]=4 762 B14R1.337 N[C@@H](CC(=O)O)CC1=C(C=CC=C1)F MCULE-8252195648 [1,1,0,0,0,0|1,0,1]=4 763 B14R1.337 N[C@@H](CC(=O)O)CC1=C(C=CC=C1)F MCULE-8935243122 [1,1,0,0,0,0|1,0,1]=4 764 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Br MCULE-1023019310 [1,1,0,0,0,0|1,0,1]=4 765 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Br MCULE-9417968820 [1,1,0,0,0,0|1,0,1]=4 766 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl MCULE-2549927805 [1,1,0,0,0,0|1,0,1]=4 767 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl MCULE-3392348900 [1,1,0,0,0,0|1,0,1]=4 768 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl MCULE-4213559251 [1,1,0,0,0,0|1,0,1]=4 769 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl MCULE-6832014540 [1,1,0,0,0,0|1,0,1]=4 770 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F MCULE-1098198504 [1,1,0,0,0,0|1,0,1]=4 771 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F MCULE-9408972225 [1,1,0,0,0,0|1,0,1]=4 772 B14R1.337 N[C@H](CC(=O)O)CC1=C(C=CC=C1)Br MCULE-5152914671 [1,1,0,0,0,0|1,0,1]=4 773 B14R1.337 N[C@H](CC(=O)O)CC1=C(C=CC=C1)Br MCULE-8849094409 [1,1,0,0,0,0|1,0,1]=4 774 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br MCULE-6750712357 [1,1,0,0,0,0|1,0,1]=4 775 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br MCULE-8886627081 [1,1,0,0,0,0|1,0,1]=4 776 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Cl MCULE-8295141895 [1,1,0,0,0,0|1,0,1]=4 777 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Cl MCULE-9227869157 [1,1,0,0,0,0|1,0,1]=4 778 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F MCULE-2346848280 [1,1,0,0,0,0|1,0,1]=4 779 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F MCULE-2775531782 [1,1,0,0,0,0|1,0,1]=4 780 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F MCULE-4270457387 [1,1,0,0,0,0|1,0,1]=4 781 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F MCULE-4535355030 [1,1,0,0,0,0|1,0,1]=4 782 B14R1.837 COC(=O)CCCC1=C(C=CC=C1)N MCULE-9123683004 [1,1,0,0,0,0|0,0,1]=3 783 B14R1.837 COC(=O)CCCC1=CC=CC=C1F MCULE-1905110576 [1,1,0,0,0,0|1,0,1]=4 784 B14R1.837 COC(=O)CCCC1=CC=CC=C1N MCULE-8170958762 [1,1,0,0,0,0|0,0,1]=3 785 B14R1.837 COC(=O)CCCC1=CC=CC=C1O MCULE-2186446302 [1,1,0,0,0,0|1,0,1]=4 786 B14R1.837 COC(=O)CCNC1=C(C=CC=C1)C MCULE-2268120084 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.837 COC(=O)CCOC1=C(C=CC=C1)N MCULE-4698745299 [1,1,0,0,0,0|1,0,0]=3 788 B14R1.837 COC(=O)CCOC1=C(C=CC=C1)N MCULE-6663438936 [1,1,0,0,0,0|1,0,0]=3 789 B14R1.837 COC(=O)CCSC1=C(C=CC=N1)N MCULE-1512881325 [1,1,0,0,0,0|2,0,0]=4 790 B14R1.837 NNC(=O)CCSC1=C(C=CC=C1)N MCULE-7296701328 [1,1,0,0,0,0|2,0,0]=4 791 B14R1.4464 CC1=CC(=C(C=C1)CCCC(=O)O)C MCULE-6429348347 [1,1,0,0,0,0|1,0,1]=4 792 B14R1.4464 CC1=CC(=C(C=C1)NCCC(=O)O)C MCULE-8937929472 [1,1,0,0,0,0|2,0,0]=4 793 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)Br MCULE-1569138367 [1,1,0,0,0,0|2,0,0]=4 794 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)C MCULE-8861685281 [1,1,0,0,0,0|2,0,0]=4 795 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)Cl MCULE-1775946448 [1,1,0,0,0,0|2,0,0]=4 796 B14R1.4464 CC1=CC=C(C(=C1)N)CCCC(=O)O MCULE-6287309653 [1,1,0,0,0,0|0,0,1]=3 797 B14R1.4464 O=C(O)CC=CC1=C(C=C(C=C1)F)F MCULE-9044702043 [1,1,0,0,0,0|1,0,1]=4 798 B14R1.4464 O=C(O)CCCC1=C(C=C(C=C1)F)F MCULE-9598853751 [1,1,0,0,0,0|1,0,1]=4 799 B14R1.4464 O=C(O)CCCC1=CC=C(C=C1Cl)Cl MCULE-7859824346 [1,1,0,0,0,0|1,0,1]=4 800 B14R1.4464 O=C(O)CCNC1=C(C=C(C=C1)Br)Br MCULE-4348866063 [1,1,0,0,0,0|2,0,0]=4 801 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Br)F MCULE-1885140852 [1,1,0,0,0,0|2,0,0]=4 802 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Cl)Br MCULE-5896288418 [1,1,0,0,0,0|2,0,0]=4 803 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Cl)Cl MCULE-8424249224 [1,1,0,0,0,0|2,0,0]=4 804 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)F)Cl MCULE-2527512254 [1,1,0,0,0,0|2,0,0]=4 805 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)F)F MCULE-5054937813 [1,1,0,0,0,0|2,0,0]=4 806 B14R1.4464 O=C(O)CN=CC1=C(C=C(C=C1)O)O MCULE-1393417872 [1,1,0,0,0,0|2,0,0]=4 807 B14R1.4920 CC1=CC=CC(=C1OCCC(=O)O)C MCULE-3401363599 [1,1,0,0,0,0|2,0,0]=4 808 B14R1.4920 O=C(O)CCCC1=C(C=CC=C1F)F MCULE-9620801280 [1,1,0,0,0,0|1,0,1]=4 809 B14R1.4920 O=C(O)CCOC1=C(C=CC=C1F)Cl MCULE-9369003030 [1,1,0,0,0,0|2,0,0]=4 810 B14R1.6072 CC1=CC(=C(C=C1)C)CCCC(=O)O MCULE-1118084619 [1,1,0,0,0,0|1,0,1]=4 811 B14R1.6072 CC1=CC(=C(C=C1)C)OCCC(=O)O MCULE-1243613925 [1,1,0,0,0,0|2,0,0]=4 812 B14R1.6072 CC1=CC(=C(C=C1)N)SCCC(=O)O MCULE-4128668717 [1,1,0,0,0,0|1,0,0]=3 813 B14R1.6072 CC1=CC(=C(C=C1)N)SCCC(=O)O MCULE-4729698737 [1,1,0,0,0,0|1,0,0]=3 814 B14R1.6072 CC1=CC=C(C(=C1)OCCC(=O)O)F MCULE-2693835713 [1,1,0,0,0,0|2,0,0]=4 815 B14R1.6072 CC1=CC=C(C=C1OCCC(=O)O)Br MCULE-1814780585 [1,1,0,0,0,0|2,0,0]=4 816 B14R1.6072 O=C(O)CCCC1=C(C=CC(=C1)Cl)Cl MCULE-1855032095 [1,1,0,0,0,0|1,0,1]=4 817 B14R1.6072 O=C(O)CCCC1=C(C=CC(=C1)F)F MCULE-8880454113 [1,1,0,0,0,0|1,0,1]=4 818 B14R1.6072 O=C(O)CCCC1=C(C=CC(=C1)O)O MCULE-1410764570 [1,1,0,0,0,0|1,0,1]=4 819 B14R1.6072 O=C(O)CCOC1=C(C=CC(=C1)Cl)Cl MCULE-4306107496 [1,1,0,0,0,0|2,0,0]=4 820 B14R1.6072 O=C(O)CCOC1=C(C=CC(=C1)F)F MCULE-5559603756 [1,1,0,0,0,0|2,0,0]=4 821 B14R1.6072 O=C(O)CCSC1=C(C=CC(=C1)F)F MCULE-3345155555 [1,1,0,0,0,0|2,0,0]=4 822 B14R1.16 C=CCCC(=O)C1=C(C(=CC=C1)C)C MCULE-8671855166 [1,1,0,0,0,0|2,0,0]=4 823 B14R1.16 C=CCCC(=O)C1=C(C(=CC=C1)Cl)Cl MCULE-1733752965 [1,1,0,0,0,0|2,0,0]=4 824 B14R1.16 C=CCCC(=O)C1=CC=CC(=C1C)Cl MCULE-7091506987 [1,1,0,0,0,0|2,0,0]=4 825 B14R1.16 C=CCCC(=O)C1=CC=CC(=C1C)F MCULE-9385893379 [1,1,0,0,0,0|2,0,0]=4 826 B14R1.16 C=CCCC(=O)C1=CC=CC(=C1Cl)C MCULE-6176308517 [1,1,0,0,0,0|2,0,0]=4 827 B14R1.16 C=CCCC(=O)C1=CC=CC(=C1Cl)F MCULE-6922132523 [1,1,0,0,0,0|2,0,0]=4 828 B14R1.16 C=CCCC(=O)C1=CC=CC(=C1F)F MCULE-4376734307 [1,1,0,0,0,0|2,0,0]=4 829 B14R1.16 O=CCNC(=O)C1=C(C(=CC=C1)Cl)Cl MCULE-3015031249 [1,1,0,0,0,0|2,0,0]=4 830 B14R1.918 C=CCCC(=O)C1=C(C=CC(=C1)Br)F MCULE-3688100967 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.918 C=CCCC(=O)C1=CC(=CC=C1C)C MCULE-1604281959 [1,1,0,0,0,0|2,0,0]=4 832 B14R1.918 C=CCCC(=O)C1=CC(=CC=C1C)Cl MCULE-4047437539 [1,1,0,0,0,0|2,0,0]=4 833 B14R1.918 C=CCCC(=O)C1=CC(=CC=C1C)F MCULE-4061142692 [1,1,0,0,0,0|2,0,0]=4 834 B14R1.918 C=CCCC(=O)C1=CC(=CC=C1Cl)C MCULE-7207390302 [1,1,0,0,0,0|2,0,0]=4 835 B14R1.918 C=CCCC(=O)C1=CC(=CC=C1Cl)Cl MCULE-2057193028 [1,1,0,0,0,0|2,0,0]=4 836 B14R1.918 C=CCCC(=O)C1=CC(=CC=C1Cl)F MCULE-1020500539 [1,1,0,0,0,0|2,0,0]=4 837 B14R1.918 C=CCCC(=O)C1=CC(=CC=C1F)F MCULE-7946364049 [1,1,0,0,0,0|2,0,0]=4 838 B14R1.918 C=CCOC(=O)C1=CC(=CC=C1N)I MCULE-9258564612 [1,1,0,0,0,0|2,0,0]=4 839 B14R1.918 O=CCNC(=O)C1=CC(=CC=C1Cl)Br MCULE-9256933741 [1,1,0,0,0,0|2,0,0]=4 840 B14R1.918 O=CCNC(=O)C1=CC(=CC=C1Cl)Cl MCULE-6624783232 [1,1,0,0,0,0|2,0,0]=4 841 B14R1.939 C=CCCC(=O)C1=C(C=CC=C1)SC MCULE-4040227574 [1,1,0,0,0,0|2,0,0]=4 842 B14R1.939 C=CCCC(=O)C1=CC=CC=C1C#N MCULE-2214922646 [1,1,0,0,0,0|1,0,1]=4 843 B14R1.939 C=CCCC(=O)C1=CC=CC=C1CC MCULE-2519445775 [1,1,0,0,0,0|2,0,0]=4 844 B14R1.939 C=CCCC(=O)C1=CC=CC=C1OC MCULE-3474007050 [1,1,0,0,0,0|2,0,0]=4 845 B14R1.939 C=CCNC(=O)C1=CC=CC=C1NC MCULE-9404233040 [1,1,0,0,0,0|2,0,0]=4 846 B14R1.1035 C#CCCNC(=O)C1=C(C=CC=C1)N MCULE-1317138484 [1,1,0,0,0,0|1,0,1]=4 847 B14R1.1035 CC1=C(C=CC=C1)C(=O)NCCCO MCULE-6451035660 [1,1,0,0,0,0|1,0,1]=4 848 B14R1.1035 CCCCNC(=O)C1=C(C=CC=C1)N MCULE-4551002098 [1,1,0,0,0,0|1,0,1]=4 849 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N MCULE-7025055342 [1,1,0,0,0,0|1,0,1]=4 850 B14R1.1035 COCCNC(=O)C1=CC=CC=C1N MCULE-1736701319 [1,1,0,0,0,0|1,0,1]=4 851 B14R1.1035 CSCCNC(=O)C1=CC=CC=C1N MCULE-2448459137 [1,1,0,0,0,0|2,0,0]=4 852 B14R1.1035 NC1=C(C=CC=C1)C(=O)NCCCO MCULE-9581643784 [1,1,0,0,0,0|0,0,1]=3 853 B14R1.1035 O=C(NCCCO)C1=CC=CC=C1F MCULE-1381928419 [1,1,0,0,0,0|1,0,1]=4 854 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1C)Br MCULE-3586535508 [1,1,0,0,0,0|2,0,0]=4 855 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1C)C MCULE-6313292651 [1,1,0,0,0,0|2,0,0]=4 856 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1C)Cl MCULE-7000799458 [1,1,0,0,0,0|2,0,0]=4 857 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1C)F MCULE-2947428077 [1,1,0,0,0,0|2,0,0]=4 858 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1Cl)Br MCULE-6645807617 [1,1,0,0,0,0|2,0,0]=4 859 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1Cl)C MCULE-9127859748 [1,1,0,0,0,0|2,0,0]=4 860 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-8583418294 [1,1,0,0,0,0|2,0,0]=4 861 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1Cl)F MCULE-7315060814 [1,1,0,0,0,0|2,0,0]=4 862 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1F)Br MCULE-5566430185 [1,1,0,0,0,0|2,0,0]=4 863 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1F)C MCULE-1457619320 [1,1,0,0,0,0|2,0,0]=4 864 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1F)Cl MCULE-7580749674 [1,1,0,0,0,0|2,0,0]=4 865 B14R1.2523 C=CCCC(=O)C1=CC=C(C=C1F)F MCULE-5432329319 [1,1,0,0,0,0|2,0,0]=4 866 B14R1.3348 CN(CCO)C(=O)C1=C(C=CC=C1)N MCULE-2929742614 [1,1,0,0,0,0|1,0,1]=4 867 B14R1.8282 C=CCCC(=O)C1=C(C=CC=C1C)C MCULE-7322673743 [1,1,0,0,0,0|2,0,0]=4 868 B14R1.8282 C=CCCC(=O)C1=C(C=CC=C1Cl)C MCULE-8438066555 [1,1,0,0,0,0|2,0,0]=4 869 B14R1.8282 C=CCCC(=O)C1=C(C=CC=C1Cl)Cl MCULE-8536191405 [1,1,0,0,0,0|2,0,0]=4 870 B14R1.8282 C=CCCC(=O)C1=C(C=CC=C1F)F MCULE-7253709034 [1,1,0,0,0,0|2,0,0]=4 871 B14R1.4354 CC1=CC(=C(S1)C)C(=O)CCC(=O)O MCULE-6677020676 [0,1,0,0,1,0|2,0,0]=4 872 B14R1.4354 O=C(O)CCC(=O)C1=C(SC(=C1)Cl)Cl MCULE-1393611477 [0,1,0,0,1,0|2,0,0]=4 873 B14R1.4461 COC(=O)CCC(=O)C1=C(C=CS1)Br MCULE-4166901485 [0,1,0,0,1,0|2,0,0]=4 874 B14R1.4461 COC(=O)CCC(=O)C1=C(C=CS1)C MCULE-2090929556 [0,1,0,0,1,0|2,0,0]=4 875 B14R1.243 NC1=C(C=CC=C1)C(O)C(N)C(=O)O MCULE-4762137124 [0,1,0,0,1,0|0,0,2]=4 876 B14R1.840 COC1=CC=CC=C1C(=O)CC(=O)C MCULE-4547049252 [0,1,0,0,1,0|2,0,0]=4 877 B14R1.5805 NC1=C(C=CC=C1)S(=O)(=O)CC(=O)O MCULE-4140515344 [0,1,0,0,1,0|1,0,0]=3 878 B14R1.5805 O=C(O)CS(=O)(=O)C1=C(C=CC=C1)Cl MCULE-5033783937 [0,1,0,0,1,0|2,0,0]=4 879 B14R1.5805 O=C(O)CS(=O)(=O)C1=C(C=CC=C1)F MCULE-5285044912 [0,1,0,0,1,0|2,0,0]=4 880 B14R1.6048 CC(=O)CC(=O)C1=C(C=C(C=C1)F)F MCULE-6448779597 [0,1,0,0,1,0|2,0,0]=4 881 B14R1.6052 CC(=O)CC(=O)C1=C(C=CC(=C1)Cl)O MCULE-9275672865 [0,1,0,0,1,0|2,0,0]=4 882 B16R1.85 CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)O MCULE-7329772395 [0,1,0,0,0,1|1,0,0]=3 883 B16R1.85 CC1=C(C=CC=C1F)NC(=O)CCC(=O)O MCULE-3332629103 [0,1,0,0,0,1|1,0,0]=3 884 B16R1.85 CC1=C(C=CC=C1NC(=O)CCC(=O)N)Cl MCULE-9725172100 [0,1,0,0,0,1|2,0,0]=4 885 B16R1.85 CC1=CC=CC(=C1C)NC(=O)CCC(=O)O MCULE-9768856193 [0,1,0,0,0,1|1,0,0]=3 886 B16R1.85 O=C(O)CCC(=O)NC1=CC=CC(=C1Cl)Cl MCULE-7692285590 [0,1,0,0,0,1|1,0,0]=3 887 B16R1.1369 CCC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-4718213130 [0,1,0,0,0,1|1,0,0]=3 888 B16R1.1369 COC1=C(C=CC=C1)NC(=O)CCC(=O)O MCULE-6778027857 [0,1,0,0,0,1|1,0,0]=3 889 B16R1.1369 CSC1=CC=CC=C1NC(=O)CCC(=O)O MCULE-5047461113 [0,1,0,0,0,1|1,0,0]=3 890 B16R1.7413 CC(NC(=O)NC1=C(C=CC=C1)Cl)C(=O)O MCULE-6777265281 [0,1,0,0,0,1|2,0,0]=4 891 B16R1.7413 CC(NC(=O)NC1=C(C=CC=C1)F)C(=O)O MCULE-8115458741 [0,1,0,0,0,1|2,0,0]=4 892 B16R1.7413 CC1=C(C=CC=C1)NC(=O)NC(C)C(=O)O MCULE-6965539390 [0,1,0,0,0,1|2,0,0]=4 893 B16R1.7413 CC1=C(C=CC=C1)NC(=O)N[C@H](C)C(=O)O MCULE-2978590486 [0,1,0,0,0,1|2,0,0]=4 894 B16R1.7413 C[C@H](NC(=O)NC1=C(C=CC=C1)Cl)C(=O)O MCULE-7536084399 [0,1,0,0,0,1|2,0,0]=4 895 B16R1.7413 C[C@H](NC(=O)NC1=C(C=CC=C1)F)C(=O)O MCULE-7463034533 [0,1,0,0,0,1|2,0,0]=4 896 B16R1.7458 COC(=O)CCC(=O)NC1=C(C=CC=C1)Cl MCULE-3656562134 [0,1,0,0,0,1|1,0,0]=3 897 B16R1.7458 COC(=O)CCC(=O)NC1=C(C=CC=C1)F MCULE-6330602203 [0,1,0,0,0,1|1,0,0]=3 898 B16R1.7458 COC(=O)CCC(=O)NC1=C(C=CC=C1)I MCULE-1716823929 [0,1,0,0,0,1|1,0,0]=3 899 B16R1.7458 COC(=O)CCC(=O)NC1=CC=CN=C1Cl MCULE-9149612318 [0,1,0,0,0,1|2,0,0]=4 900 B16R1.7458 NNC(=O)CCC(=O)NC1=CC=CC=C1Cl MCULE-8553334191 [0,1,0,0,0,1|2,0,0]=4 901 B16R1.7458 NNC(=O)CCC(=O)NC1=CC=CC=C1F MCULE-5169502439 [0,1,0,0,0,1|2,0,0]=4 902 B16R1.7488 CC1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)O MCULE-1907479753 [0,1,0,0,0,1|1,0,0]=3 903 B16R1.7488 CC1=C(C=C(C=C1)F)NC(=O)CCC(=O)O MCULE-9514508164 [0,1,0,0,0,1|1,0,0]=3 904 B16R1.7488 CC1=CC(=C(C=C1)F)NC(=O)CCC(=O)O MCULE-1684349848 [0,1,0,0,0,1|1,0,0]=3 905 B16R1.7488 CC1=CC(=C(C=C1)O)NC(=O)CCC(=O)O MCULE-5541397213 [0,1,0,0,0,1|1,0,0]=3 906 B16R1.7488 CC1=CC=C(C(=C1)NC(=O)CCC(=O)O)C MCULE-1591671573 [0,1,0,0,0,1|1,0,0]=3 907 B16R1.7488 O=C(O)CCC(=O)NC1=C(C=CC(=C1)Cl)Cl MCULE-3527686460 [0,1,0,0,0,1|1,0,0]=3 908 B16R1.7488 O=C(O)CCC(=O)NC1=CC(=CC=C1F)F MCULE-8269698744 [0,1,0,0,0,1|1,0,0]=3 909 B16R1.7488 O=C(O)CCC(=O)NC1=CC(=CC=C1O)Cl MCULE-3403088914 [0,1,0,0,0,1|1,0,0]=3 910 B16R1.11019 CC1=CC=CC=C1CS(=O)(=O)CCC(=O)O MCULE-7376514335 [0,1,0,0,0,1|2,0,0]=4 911 B16R1.11019 O=C(O)CCS(=O)(=O)CC1=C(C=CC=C1)F MCULE-1616867623 [0,1,0,0,0,1|2,0,0]=4 912 B16R1.11019 O=C(O)CCS(=O)(=O)CC1=CC=CC=C1Cl MCULE-6576282183 [0,1,0,0,0,1|2,0,0]=4 913 B16R1.11232 CC1=CC=CC(=C1NC(=O)CCC(=O)O)C MCULE-6196826167 [0,1,0,0,0,1|1,0,0]=3 914 B16R1.11232 O=C(O)CCC(=O)NC1=C(C=CC=C1F)F MCULE-5265068670 [0,1,0,0,0,1|1,0,0]=3 915 B16R1.11390 CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)O MCULE-3478813902 [0,1,0,0,0,1|1,0,0]=3 916 B16R1.11390 CC1=C(C=CC(=C1)F)NC(=O)CCC(=O)O MCULE-7532170080 [0,1,0,0,0,1|1,0,0]=3 917 B16R1.11390 CC1=CC(=C(C=C1)NC(=O)CCC(=O)O)Br MCULE-1693913443 [0,1,0,0,0,1|1,0,0]=3 918 B16R1.11390 CC1=CC(=C(C=C1)NC(=O)CCC(=O)O)C MCULE-5865982000 [0,1,0,0,0,1|1,0,0]=3 919 B16R1.11390 CC1=CC(=CC=C1NC(=O)CCC(=O)O)Cl MCULE-7805244112 [0,1,0,0,0,1|1,0,0]=3 920 B16R1.11390 O=C(O)CCC(=O)NC1=C(C=C(C=C1)Br)Br MCULE-1446286464 [0,1,0,0,0,1|1,0,0]=3 921 B16R1.11390 O=C(O)CCC(=O)NC1=C(C=C(C=C1)Br)F MCULE-2380733816 [0,1,0,0,0,1|1,0,0]=3 922 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(C=C1Cl)Cl MCULE-5365457042 [0,1,0,0,0,1|1,0,0]=3 923 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(C=C1F)Cl MCULE-2520649478 [0,1,0,0,0,1|1,0,0]=3 924 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(C=C1F)F MCULE-9105233782 [0,1,0,0,0,1|1,0,0]=3 925 B16R1.7436 O=C(O)CCNS(=O)(=O)C1=C(C=CC=C1)Br MCULE-5685642916 [0,1,0,0,0,1|2,0,0]=4 926 B16R1.7436 O=C(O)CCNS(=O)(=O)C1=C(C=CC=C1)Cl MCULE-2302304552 [0,1,0,0,0,1|2,0,0]=4 927 B16R1.7436 O=C(O)CCNS(=O)(=O)C1=CC=CC=C1F MCULE-8317667833 [0,1,0,0,0,1|2,0,0]=4 928 B16R1.7437 CC1=C(C=CC=C1)C(=O)CC(C)CC(=O)O MCULE-6978519012 [0,1,0,0,0,1|1,0,0]=3 929 B16R1.7492 CC1=CC(=C(C=C1)C)C(=O)CCCC(=O)O MCULE-7849690423 [0,1,0,0,0,1|1,0,0]=3 930 B16R1.7492 CC1=CC(=C(C=C1)O)C(=O)CCCC(=O)O MCULE-9021203440 [0,1,0,0,0,1|1,0,0]=3 931 B16R1.7492 CC1=CC=C(C(=C1)C(=O)CSCC(=O)O)C MCULE-2370022570 [0,1,0,0,0,1|1,0,0]=3 932 B16R1.7492 CC1=CC=C(C=C1C(=O)CCCC(=O)O)Cl MCULE-4524339154 [0,1,0,0,0,1|1,0,0]=3 933 B16R1.7492 CC1=CC=C(C=C1C(=O)CCCC(=O)O)F MCULE-7492088659 [0,1,0,0,0,1|1,0,0]=3 934 B16R1.7492 CC1=CC=C(C=C1C(=O)CSCC(=O)O)Cl MCULE-5631425061 [0,1,0,0,0,1|1,0,0]=3 935 B16R1.7492 CC1=CC=C(C=C1C(=O)CSCC(=O)O)F MCULE-1589192453 [0,1,0,0,0,1|1,0,0]=3 936 B16R1.7492 NC1=CC(=C(C=C1)Cl)C(=O)NCCC(=O)O MCULE-5919428138 [0,1,0,0,0,1|1,0,0]=3 937 B16R1.7492 NC1=CC(=C(C=C1)Cl)C(=O)NCCC(=O)O MCULE-9455462195 [0,1,0,0,0,1|1,0,0]=3 938 B16R1.7492 O=C(O)CCCC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-3271149415 [0,1,0,0,0,1|1,0,0]=3 939 B16R1.7492 O=C(O)CCCC(=O)C1=C(C=CC(=C1)F)F MCULE-3580693178 [0,1,0,0,0,1|1,0,0]=3 940 B16R1.7492 O=C(O)CCNC(=O)C1=C(C=CC(=C1)F)Br MCULE-8186880608 [0,1,0,0,0,1|1,0,0]=3 941 B16R1.11264 CC1=C(C=CC=C1C(=O)CCCC(=O)O)Cl MCULE-6100546792 [0,1,0,0,0,1|1,0,0]=3 942 B16R1.11264 CC1=C(C=CC=C1C(=O)CSCC(=O)O)Cl MCULE-2335794889 [0,1,0,0,0,1|1,0,0]=3 943 B16R1.11264 CC1=C(C=CC=C1F)C(=O)CCCC(=O)O MCULE-5780373438 [0,1,0,0,0,1|1,0,0]=3 944 B16R1.11264 CC1=CC=CC(=C1C)C(=O)CCCC(=O)O MCULE-4057580321 [0,1,0,0,0,1|1,0,0]=3 945 B16R1.11264 CC1=CC=CC(=C1C)C(=O)CSCC(=O)O MCULE-5399981649 [0,1,0,0,0,1|1,0,0]=3 946 B16R1.11264 O=C(O)CCCC(=O)C1=C(C(=CC=C1)Cl)Cl MCULE-6327792370 [0,1,0,0,0,1|1,0,0]=3 947 B16R1.11264 O=C(O)CCCC(=O)C1=C(C(=CC=C1)F)F MCULE-7014660995 [0,1,0,0,0,1|1,0,0]=3 948 B16R1.11442 CC1=C(C=CC(=C1)Br)C(=O)CCCC(=O)O MCULE-5622726754 [0,1,0,0,0,1|1,0,0]=3 949 B16R1.11442 CC1=C(C=CC(=C1)Cl)C(=O)CCCC(=O)O MCULE-8188604571 [0,1,0,0,0,1|1,0,0]=3 950 B16R1.11442 CC1=CC(=C(C=C1)C(=O)CCCC(=O)O)C MCULE-5762954754 [0,1,0,0,0,1|1,0,0]=3 951 B16R1.11442 CC1=CC(=C(C=C1)C(=O)NCCC(=O)O)O MCULE-6316514916 [0,1,0,0,0,1|1,0,0]=3 952 B16R1.11442 CC1=CC(=CC=C1C(=O)CCCC(=O)O)F MCULE-7891630075 [0,1,0,0,0,1|1,0,0]=3 953 B16R1.11442 CC1=CC(=CC=C1C(=O)CSCC(=O)O)Cl MCULE-7039789140 [0,1,0,0,0,1|1,0,0]=3 954 B16R1.11442 CC1=CC(=CC=C1C(=O)CSCC(=O)O)F MCULE-4461801935 [0,1,0,0,0,1|1,0,0]=3 955 B16R1.11442 CC1=CC=C(C(=C1)C)C(=O)CSCC(=O)O MCULE-7800192833 [0,1,0,0,0,1|1,0,0]=3 956 B16R1.11442 NC1=CC(=C(C=C1)C(=O)NCCC(=O)O)Cl MCULE-5018323692 [0,1,0,0,0,1|1,0,0]=3 957 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-1286808441 [0,1,0,0,0,1|1,0,0]=3 958 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-1542841203 [0,1,0,0,0,1|1,0,0]=3 959 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-8856327001 [0,1,0,0,0,1|1,0,0]=3 960 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)F)F MCULE-3334440518 [0,1,0,0,0,1|1,0,0]=3 961 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-4728704240 [0,1,0,0,0,1|1,0,0]=3 962 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)Cl MCULE-6840459908 [0,1,0,0,0,1|1,0,0]=3 963 B16R1.11442 O=C(O)CCNC(=O)C1=C(C=C(C=C1)F)F MCULE-1123358552 [0,1,0,0,0,1|1,0,0]=3 964 B16R1.11442 O=C(O)CSCC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-7086695729 [0,1,0,0,0,1|1,0,0]=3 965 B16R1.16971 CNC(=O)CCNC(=O)C1=CC=CC=C1Cl MCULE-9702474922 [0,1,0,0,0,1|2,0,0]=4 966 B16R1.16971 COC(=O)CCCC(=O)C1=C(C=CC=C1)C MCULE-8448050255 [0,1,0,0,0,1|1,0,0]=3 967 B16R1.16971 COC(=O)CCCC(=O)C1=CC=CC=C1Cl MCULE-4327337339 [0,1,0,0,0,1|1,0,0]=3 968 B16R1.16971 COC(=O)CCCC(=O)C1=CC=CC=C1F MCULE-1329278470 [0,1,0,0,0,1|1,0,0]=3 969 B16R1.18704 CCC1=CC=CC=C1C(=O)CCCC(=O)O MCULE-1653566703 [0,1,0,0,0,1|1,0,0]=3 970 B16R1.18704 CCC1=CC=CC=C1C(=O)CSCC(=O)O MCULE-2666742772 [0,1,0,0,0,1|1,0,0]=3 971 B16R1.18704 COC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-3923837522 [0,1,0,0,0,1|1,0,0]=3 972 B16R1.18704 COC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-6747574640 [0,1,0,0,0,1|1,0,0]=3 973 B16R1.18704 COC1=CC=CC=C1C(=O)CSCC(=O)O MCULE-6372955057 [0,1,0,0,0,1|1,0,0]=3 974 B16R1.18704 CSC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-3682388645 [0,1,0,0,0,1|1,0,0]=3 975 B16R1.44936 O=C(O)CCCC(=O)C1=C(C=CC=C1F)Cl MCULE-4396773327 [0,1,0,0,0,1|1,0,0]=3 976 B16R1.44936 O=C(O)CCCC(=O)C1=C(C=CC=C1F)F MCULE-1640919272 [0,1,0,0,0,1|1,0,0]=3 977 B16R1.697 CCOC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-7578465182 [0,2,0,0,0,0|1,0,0]=3 978 B16R1.697 CCOC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-1404256276 [0,2,0,0,0,0|2,0,0]=4 979 B16R1.697 O=CNC1=CC=CC=C1C(=O)CCC(=O)O MCULE-4492335987 [0,2,0,0,0,0|0,0,0]=2 980 B16R1.4361 COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)O MCULE-6249925493 [0,2,0,0,0,0|1,0,0]=3 981 B16R1.4361 COC1=C(C=C(C=C1)Cl)C(=O)CCC(=O)O MCULE-1947044257 [0,2,0,0,0,0|1,0,0]=3 982 B16R1.4361 COC1=C(C=C(C=C1)F)C(=O)CCC(=O)O MCULE-8972805620 [0,2,0,0,0,0|1,0,0]=3 983 B16R1.4361 COC1=CC=C(C=C1C(=O)CCC(=O)O)C MCULE-3078444888 [0,2,0,0,0,0|1,0,0]=3 984 B16R1.4547 CC(=O)OCC(=O)C1=CC=CC=C1N(C)C MCULE-5878901863 [0,2,0,0,0,0|2,0,0]=4 985 B16R1.4547 O=C(O)CCS(=O)C1=CC=CC=C1C(=O)O MCULE-2629347111 [0,2,0,0,0,0|2,0,0]=4 986 B16R1.4547 O=C(O)CNC(=O)C1=C(C=CC=C1)C(=O)O MCULE-1057926292 [0,2,0,0,0,0|2,0,0]=4 987 B16R1.4547 O=C(O)CNC(=O)C1=CC=CC=C1N(=O)=O MCULE-5943365719 [0,2,0,0,0,0|1,0,1]=4 988 B16R1.4719 COC1=C(C=CC(=C1)Cl)C(=O)CCC(=O)O MCULE-5868475784 [0,2,0,0,0,0|1,0,0]=3 989 B16R1.5566 COC1=C(C=CC=C1)C(=O)CC(=O)C(=O)O MCULE-4847138247 [0,2,0,0,0,0|1,0,1]=4 990 B16R1.5566 COC1=C(C=CC=C1)C(=O)N[C@@H](C)C(=O)O MCULE-2366695848 [0,2,0,0,0,0|2,0,0]=4 991 B16R1.5567 CCC1=CC=CC=C1C(=O)CCC(=O)OC MCULE-2402018820 [0,2,0,0,0,0|1,0,0]=3 992 B16R1.5567 COC(=O)CCC(=O)C1=C(C=CC=C1)SC MCULE-1949995477 [0,2,0,0,0,0|1,0,0]=3 993 B16R1.5567 COC(=O)CCC(=O)C1=CC=CC=C1C#N MCULE-5285100360 [0,2,0,0,0,0|0,0,1]=3 994 B16R1.5567 COC(=O)CCC(=O)C1=CC=CC=C1OC MCULE-1878380654 [0,2,0,0,0,0|1,0,0]=3 995 B16R1.89 COC(=O)CCC(=O)C1=C(C(=CC=C1)C)C MCULE-2973376677 [0,2,0,0,0,0|1,0,0]=3 996 B16R1.89 COC(=O)CCC(=O)C1=C(C(=CC=C1)Cl)Cl MCULE-5710430067 [0,2,0,0,0,0|1,0,0]=3 997 B16R1.89 COC(=O)CCC(=O)C1=CC=CC(=C1C)Cl MCULE-5856031824 [0,2,0,0,0,0|1,0,0]=3 998 B16R1.89 COC(=O)CCC(=O)C1=CC=CC(=C1C)F MCULE-8784670478 [0,2,0,0,0,0|1,0,0]=3 999 B16R1.89 COC(=O)CCC(=O)C1=CC=CC(=C1Cl)C MCULE-1055729229 [0,2,0,0,0,0|1,0,0]=3 1000 B16R1.89 COC(=O)CCC(=O)C1=CC=CC(=C1Cl)F MCULE-7695088973 [0,2,0,0,0,0|1,0,0]=3 1001 B16R1.89 COC(=O)CCC(=O)C1=CC=CC(=C1F)F MCULE-5551244308 [0,2,0,0,0,0|1,0,0]=3 1002 B16R1.11263 CC(NC(=O)C1=C(C(=CC=C1)Cl)Cl)C(=O)O MCULE-2715085915 [0,2,0,0,0,0|2,0,0]=4 1003 B16R1.11263 NC1=C(C=CC=C1C(=O)CC(N)C(=O)O)O MCULE-6658253392 [0,2,0,0,0,0|0,0,0]=2 1004 B16R1.11263 NC1=C(C=CC=C1C(=O)C[C@@H](N)C(=O)O)O MCULE-9748579037 [0,2,0,0,0,0|0,0,0]=2 1005 B16R1.11399 CC1=C(C=C(C=C1)Br)C(=O)N(C)CC(=O)O MCULE-3355409733 [0,2,0,0,0,0|2,0,0]=4 1006 B16R1.636 CCC(NC(=O)C1=C(C=CC=C1)N)C(=O)O MCULE-4040836596 [0,2,0,0,0,0|1,0,0]=3 1007 B16R1.636 O=C(N[C@H](CO)C(=O)O)C1=CC=CC=C1O MCULE-4852202261 [0,2,0,0,0,0|2,0,0]=4 1008 B16R1.636 O=C(N[C@H](CO)C(=O)O)C1=CC=CC=C1O MCULE-9477775189 [0,2,0,0,0,0|2,0,0]=4 1009 B16R1.11441 CC(NC(=O)C1=C(C=C(C=C1)Cl)Cl)C(=O)O MCULE-9862717890 [0,2,0,0,0,0|2,0,0]=4 1010 B16R1.11441 CC1=CC(=C(C=C1)C(=O)NC(C)C(=O)O)C MCULE-4113629760 [0,2,0,0,0,0|2,0,0]=4 1011 B16R1.11441 NC1=C(C=CC(=C1)Cl)C(=O)C[C@H](N)C(=O)O MCULE-5854866774 [0,2,0,0,0,0|0,0,0]=2 1012 B16R1.11441 O=C(O)C(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-4428751036 [0,2,0,0,0,0|1,0,1]=4 1013 B16R1.11443 CC(NC(=O)C1=CC(=CC=C1Cl)Cl)C(=O)O MCULE-4581390827 [0,2,0,0,0,0|2,0,0]=4 1014 B16R1.11443 CC(NC(=O)C1=CC(=CC=C1F)Cl)C(=O)O MCULE-3119971281 [0,2,0,0,0,0|2,0,0]=4 1015 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)C MCULE-8570821476 [0,2,0,0,0,0|1,0,1]=4 1016 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)Cl MCULE-8517299782 [0,2,0,0,0,0|1,0,1]=4 1017 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C=CC=C1)O MCULE-3809609595 [0,2,0,0,0,0|1,0,1]=4 1018 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1Br MCULE-7072430852 [0,2,0,0,0,0|1,0,1]=4 1019 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1F MCULE-9482180973 [0,2,0,0,0,0|1,0,1]=4 1020 B16R1.40086 CC1=C(C=CC=C1)C(=O)CC(C)(C)C(=O)O MCULE-1294048899 [0,2,0,0,0,0|1,0,0]=3 1021 B16R1.5624 CCOC(=O)CCC(=O)C1=C(C=CC=C1)Br MCULE-2884404019 [0,2,0,0,0,0|1,0,0]=3 1022 B16R1.5624 CCOC(=O)CCC(=O)C1=C(C=CC=C1)C MCULE-1159629573 [0,2,0,0,0,0|1,0,0]=3 1023 B16R1.5624 CCOC(=O)CCC(=O)C1=C(C=CC=C1)Cl MCULE-2071099774 [0,2,0,0,0,0|1,0,0]=3 1024 B16R1.5624 CCOC(=O)CCC(=O)C1=C(C=CC=C1)F MCULE-9499547660 [0,2,0,0,0,0|1,0,0]=3 1025 B16R1.5624 CCOC(=O)CCC(=O)C1=C(C=CC=C1)I MCULE-3132738986 [0,2,0,0,0,0|1,0,0]=3 1026 B16R1.5624 CCOC(=O)CCC(=O)C1=C(N=CC=C1)Cl MCULE-3556021989 [0,2,0,0,0,0|2,0,0]=4 1027 B16R1.5624 CCOC(=O)CNC(=O)C1=C(C=CC=C1)I MCULE-9475217836 [0,2,0,0,0,0|2,0,0]=4 1028 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1Br MCULE-3664599713 [0,2,0,0,0,0|2,0,0]=4 1029 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1Cl MCULE-3723838157 [0,2,0,0,0,0|2,0,0]=4 1030 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1F MCULE-1367114880 [0,2,0,0,0,0|2,0,0]=4 1031 B16R1.5624 CCOC(=O)COC(=O)C1=C(C=CC=C1)O MCULE-1456037885 [0,2,0,0,0,0|2,0,0]=4 1032 B16R1.7441 COC(=O)CCC(=O)C1=C(C=CC(=C1)Br)F MCULE-9556835168 [0,2,0,0,0,0|1,0,0]=3 1033 B16R1.7441 COC(=O)CCC(=O)C1=C(C=CC(=C1)C)C MCULE-7778868079 [0,2,0,0,0,0|1,0,0]=3 1034 B16R1.7441 COC(=O)CCC(=O)C1=CC(=CC=C1C)Cl MCULE-7047654540 [0,2,0,0,0,0|1,0,0]=3 1035 B16R1.7441 COC(=O)CCC(=O)C1=CC(=CC=C1C)F MCULE-3930394851 [0,2,0,0,0,0|1,0,0]=3 1036 B16R1.7441 COC(=O)CCC(=O)C1=CC(=CC=C1Cl)C MCULE-6960699841 [0,2,0,0,0,0|1,0,0]=3 1037 B16R1.7441 COC(=O)CCC(=O)C1=CC(=CC=C1Cl)Cl MCULE-6936136276 [0,2,0,0,0,0|1,0,0]=3 1038 B16R1.7441 COC(=O)CCC(=O)C1=CC(=CC=C1Cl)F MCULE-2052057329 [0,2,0,0,0,0|1,0,0]=3 1039 B16R1.7441 COC(=O)CCC(=O)C1=CC(=CC=C1F)F MCULE-3728693188 [0,2,0,0,0,0|1,0,0]=3 1040 B16R1.7441 COC(=O)CCC(=O)C1=CC(=CC=C1O)F MCULE-5827504558 [0,2,0,0,0,0|1,0,0]=3 1041 B16R1.7441 COC(=O)CNC(=O)C1=C(C=CC(=C1)Br)C MCULE-8870288681 [0,2,0,0,0,0|2,0,0]=4 1042 B16R1.7441 COC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-2510767005 [0,2,0,0,0,0|2,0,0]=4 1043 B16R1.7441 COC(=O)CNC(=O)C1=CC(=CC=C1Cl)Br MCULE-6670195394 [0,2,0,0,0,0|2,0,0]=4 1044 B16R1.40160 COC(=O)CCC(=O)C1=C(C=C(C=C1)F)F MCULE-8787510260 [0,2,0,0,0,0|1,0,0]=3 1045 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1C)Br MCULE-8868426680 [0,2,0,0,0,0|1,0,0]=3 1046 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1C)C MCULE-4450316955 [0,2,0,0,0,0|1,0,0]=3 1047 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1C)Cl MCULE-8023566437 [0,2,0,0,0,0|1,0,0]=3 1048 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1C)F MCULE-8539689782 [0,2,0,0,0,0|1,0,0]=3 1049 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1Cl)Br MCULE-8761045717 [0,2,0,0,0,0|1,0,0]=3 1050 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1Cl)C MCULE-5067983515 [0,2,0,0,0,0|1,0,0]=3 1051 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1Cl)Cl MCULE-9480096437 [0,2,0,0,0,0|1,0,0]=3 1052 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1Cl)F MCULE-3662446094 [0,2,0,0,0,0|1,0,0]=3 1053 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1F)Br MCULE-4763002014 [0,2,0,0,0,0|1,0,0]=3 1054 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1F)C MCULE-5616742164 [0,2,0,0,0,0|1,0,0]=3 1055 B16R1.40160 COC(=O)CCC(=O)C1=CC=C(C=C1F)Cl MCULE-2777093407 [0,2,0,0,0,0|1,0,0]=3 1056 B16R1.40160 COC(=O)CNC(=O)C1=CC=C(C=C1Cl)Cl MCULE-4742065683 [0,2,0,0,0,0|2,0,0]=4 1057 B16R1.40160 COC(=O)CNC(=O)C1=CC=C(C=C1Cl)F MCULE-4412894605 [0,2,0,0,0,0|2,0,0]=4 1058 B16R1.131047 COC(=O)CCC(=O)C1=C(C=CC=C1C)C MCULE-7751983975 [0,2,0,0,0,0|1,0,0]=3 1059 B16R1.131047 COC(=O)CCC(=O)C1=C(C=CC=C1Cl)C MCULE-4848357353 [0,2,0,0,0,0|1,0,0]=3 1060 B16R1.131047 COC(=O)CCC(=O)C1=C(C=CC=C1Cl)Cl MCULE-1818550885 [0,2,0,0,0,0|1,0,0]=3 1061 B16R1.131047 COC(=O)CCC(=O)C1=C(C=CC=C1F)F MCULE-4619635733 [0,2,0,0,0,0|1,0,0]=3 1062 B16R1.5638 COC1=CC(=C(C=C1)C(=O)CCC(=O)O)Cl MCULE-5450607399 [0,2,0,0,0,0|1,0,0]=3 1063 B16R1.5638 COC1=CC=C(C(=C1)C)C(=O)CCC(=O)O MCULE-6570893881 [0,2,0,0,0,0|1,0,0]=3 1064 B16R1.5638 COC1=CC=C(C(=C1)O)C(=O)CCC(=O)O MCULE-6377723539 [0,2,0,0,0,0|1,0,0]=3 1065 B16R1.5638 CSC1=CC(=C(C=C1)C(=O)CCC(=O)O)Cl MCULE-3433247475 [0,2,0,0,0,0|1,0,0]=3 1066 B16R1.11345 CC1=CC(=C(C=C1C(=O)CCC(=O)O)C)Br MCULE-3969556178 [0,2,0,0,0,0|1,0,0]=3 1067 B16R1.11345 CC1=CC(=C(C=C1C)C(=O)CCC(=O)O)C MCULE-4914151195 [0,2,0,0,0,0|1,0,0]=3 1068 B16R1.11345 O=C(O)CCC(=O)C1=C(C=C(C(=C1)F)F)Cl MCULE-5041388789 [0,2,0,0,0,0|1,0,0]=3 1069 B16R1.44633 CC1=CC(=C(C(=C1)C)C(=O)CCC(=O)O)C MCULE-6887075016 [0,2,0,0,0,0|1,0,0]=3 1070 B16R1.44633 CC1=CC(=C(C(=C1)C)C(=O)NCC(=O)O)C MCULE-7582517442 [0,2,0,0,0,0|2,0,0]=4 1071 B16R1.40243 CC1=CC(=C(C=C1)C)S(=O)(=O)CCC(=O)O MCULE-8813871765 [0,2,0,0,0,0|2,0,0]=4 1072 B16R1.40243 O=C(O)CCS(=O)(=O)C1=CC(=CC=C1Cl)Cl MCULE-7139253136 [0,2,0,0,0,0|2,0,0]=4 1073 B16R1.14243 CC1=CC=C(C(=C1)C(=NO)CCC(=O)O)O MCULE-4616749188 [0,2,0,0,0,0|1,0,1]=4 1074 B16R1.20153 COC1=CC=C(C(=C1)C(=O)CCC(=O)O)O MCULE-9270898282 [0,2,0,0,0,0|1,0,0]=3 1075 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 MCULE-5781367333 [0,0,1,1,0,0|1,0,1]=4 1076 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 MCULE-2207328919 [0,0,1,1,0,0|2,0,0]=4 1077 B14R1.423 O=C(O)CCC(=O)NC1=NC=CC=C1 MCULE-4688288012 [0,0,1,1,0,0|1,0,1]=4 1078 B14R1.423 O=C(O)CCC(=O)OC1=CC=CC=C1 MCULE-7164910537 [0,0,1,1,0,0|2,0,0]=4 1079 B14R1.4526 O=C(O)CNC(=O)C=CC1=CC=CO1 MCULE-1683379489 [0,0,1,1,0,0|2,0,0]=4 1080 B14R1.4526 O=C(O)CNC(=O)C=CC1=CC=CS1 MCULE-1239984615 [0,0,1,1,0,0|2,0,0]=4 1081 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O MCULE-2466282902 [0,0,1,1,0,0|2,0,0]=4 1082 B14R2.68 O=C1CC=C(CC1)C2=CC=CC=C2 MCULE-2775945210 [1,0,0,1,0,0|2,0,0]=4 1083 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 MCULE-1170019327 [1,0,0,1,0,0|2,0,0]=4 1084 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=C2 MCULE-3074037494 [1,0,0,1,0,0|1,0,0]=3 1085 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=N2 MCULE-8997266522 [1,0,0,1,0,0|2,0,0]=4 1086 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 MCULE-1893626067 [1,0,0,1,0,0|2,0,0]=4 1087 B14R2.422 O=C1CN(C1)C(=O)C2=CC=CC=C2 MCULE-7756012507 [1,0,0,1,0,0|2,0,0]=4 1088 B14R2.779 O=C(O)C1CC(C1)C2=CC=CC=C2 MCULE-6473740503 [1,0,0,1,0,0|1,0,1]=4 1089 B14R2.779 O=C(O)[C@H]1C[C@@H](C1)C2=CC=CC=C2 MCULE-1412094106 [1,0,0,1,0,0|1,0,1]=4 1090 B14R2.779 O=C(O)[C@H]1C[C@H](C1)C2=CC=CC=C2 MCULE-7658589356 [1,0,0,1,0,0|1,0,1]=4 1091 B14R2.2950 CC1(CCC(=O)O1)C2=CC=CC=C2 MCULE-9758426602 [1,0,0,1,0,0|1,0,1]=4 1092 B14R2.2950 O=C1CCP(=O)(O1)C2=CC=CC=C2 MCULE-2304593293 [1,0,0,1,0,0|1,0,0]=3 1093 B14R2.9520 CC1(CC1C(=O)O)C2=CC=CC=C2 MCULE-4424623289 [1,0,0,1,0,0|1,0,1]=4 1094 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 MCULE-7599252846 [1,0,0,1,0,0|1,0,1]=4 1095 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 MCULE-5218048074 [1,0,0,1,0,0|2,0,0]=4 1096 B14R2.25733 N[C@H]1C[C@H](C2=CC=CC=C12)C(=O)O MCULE-3664589285 [1,0,0,1,0,0|1,0,1]=4 1097 B14R2.25733 N[C@H]1C[C@H](C2=CC=CC=C12)C(=O)O MCULE-6064527057 [1,0,0,1,0,0|1,0,1]=4 1098 B14R2.25733 O=C(O)C1CC(C2=C1C=CC=C2)O MCULE-4366292681 [1,0,0,1,0,0|0,0,2]=4 1099 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O MCULE-1060322815 [1,0,0,1,0,0|0,0,0]=2 1100 B14R2.25733 O=C1NC(C2=CC=CC=C12)C(=O)O MCULE-4829942440 [1,0,0,1,0,0|1,0,0]=3 1101 B14R2.25733 O=C1OC(C2=CC=CC=C12)C(=O)O MCULE-1282001061 [1,0,0,1,0,0|1,0,0]=3 1102 B14R2.29285 O=C1CCS(=O)(=O)C2=C1C=CC=C2 MCULE-3663386011 [1,0,0,1,0,0|1,0,1]=4 1103 B14R2.256 NC1=C(C=CC=C1)C2=NNC(=O)O2 MCULE-9518145396 [1,0,0,1,0,0|2,0,0]=4 1104 B14R2.256 NC1=C(C=CC=C1)C2CCC(=O)N2 MCULE-6084812208 [1,0,0,1,0,0|1,0,1]=4 1105 B14R2.663 NC1=C(C=CC=C1)OC2CC(=O)N2 MCULE-7789438136 [1,0,0,1,0,0|2,0,0]=4 1106 B14R2.768 CC(=O)CC1=CC2=CC=CC=C2N1 MCULE-4792113305 [1,0,0,1,0,0|1,0,1]=4 1107 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 MCULE-1605864133 [1,0,0,1,0,0|1,0,1]=4 1108 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 MCULE-7483137348 [1,0,0,1,0,0|1,0,1]=4 1109 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 MCULE-5364780227 [1,0,0,1,0,0|1,0,1]=4 1110 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MCULE-4729607006 [1,0,0,1,0,0|0,0,1]=3 1111 B14R2.768 O=C(O)CC1CC2=C(C1)C=CC=C2 MCULE-9878010081 [1,0,0,1,0,0|1,0,1]=4 1112 B14R2.768 O=C(O)CC1CC2=C(O1)C=CC=C2 MCULE-8840861157 [1,0,0,1,0,0|1,0,1]=4 1113 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 MCULE-9625173353 [1,0,0,1,0,0|1,0,1]=4 1114 B14R2.768 O=C([O-])CC1=CC2=C(N1)C=CC=C2 MCULE-4553961418 [1,0,0,1,0,0|0,0,2]=4 1115 B14R2.781 NC(=O)C1CCC2=CC=CC=C2N1 MCULE-5370876580 [1,0,0,1,0,0|1,0,1]=4 1116 B14R2.781 O=C(O)C1C=CC2=CC=CC=C2C1 MCULE-7232750004 [1,0,0,1,0,0|1,0,1]=4 1117 B14R2.781 O=C(O)C1CCC2=C(C1)C=CC=C2 MCULE-1073951143 [1,0,0,1,0,0|1,0,1]=4 1118 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 MCULE-1430981224 [1,0,0,1,0,0|0,0,1]=3 1119 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 MCULE-6517531807 [1,0,0,1,0,0|0,0,1]=3 1120 B14R2.781 O=C(O)C1CCC2=C(N1)N=CC=C2 MCULE-3530015355 [1,0,0,1,0,0|1,0,1]=4 1121 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 MCULE-5579568884 [1,0,0,1,0,0|1,0,1]=4 1122 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 MCULE-1695827201 [1,0,0,1,0,0|2,0,0]=4 1123 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 MCULE-7045652172 [1,0,0,1,0,0|2,0,0]=4 1124 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 MCULE-4163691176 [1,0,0,1,0,0|2,0,0]=4 1125 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 MCULE-8034888930 [1,0,0,1,0,0|2,0,0]=4 1126 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 MCULE-8380949754 [1,0,0,1,0,0|2,0,0]=4 1127 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 MCULE-2673479612 [1,0,0,1,0,0|1,0,0]=3 1128 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 MCULE-5446725825 [1,0,0,1,0,0|1,0,0]=3 1129 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 MCULE-7160477164 [1,0,0,1,0,0|2,0,0]=4 1130 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 MCULE-3259426758 [1,0,0,1,0,0|2,0,0]=4 1131 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-4304667368 [1,0,0,1,0,0|0,0,1]=3 1132 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-8281152819 [1,0,0,1,0,0|0,0,1]=3 1133 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-8625706872 [1,0,0,1,0,0|0,0,1]=3 1134 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-9388574763 [1,0,0,1,0,0|0,0,1]=3 1135 B14R2.781 O=C(O)[C@@H]1COC2=C(C1)C=CC=C2 MCULE-2381744220 [1,0,0,1,0,0|2,0,0]=4 1136 B14R2.781 O=C(O)[C@@H]1COC2=C(C1)C=CC=C2 MCULE-4852833545 [1,0,0,1,0,0|2,0,0]=4 1137 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-1143196956 [1,0,0,1,0,0|2,0,0]=4 1138 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-5706531171 [1,0,0,1,0,0|2,0,0]=4 1139 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-2819576381 [1,0,0,1,0,0|0,0,1]=3 1140 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-4083424627 [1,0,0,1,0,0|0,0,1]=3 1141 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-4694117161 [1,0,0,1,0,0|0,0,1]=3 1142 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-5066619071 [1,0,0,1,0,0|0,0,1]=3 1143 B14R2.781 O=C(O)[C@H]1CCC2=C(O1)C=CC=C2 MCULE-1951849524 [1,0,0,1,0,0|1,0,1]=4 1144 B14R2.781 O=C(O)[C@H]1COC2=C(C1)C=CC=C2 MCULE-5842679845 [1,0,0,1,0,0|2,0,0]=4 1145 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2C1 MCULE-9397950269 [1,0,0,1,0,0|2,0,0]=4 1146 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 MCULE-7464025157 [1,0,0,1,0,0|2,0,0]=4 1147 B14R2.781 [C@@H]1(COC2=CC=CC=C2O1)C(=O)O MCULE-3941635714 [1,0,0,1,0,0|2,0,0]=4 1148 B14R2.5443 CC1=C(C=CC=C1)C2CC2C(=O)O MCULE-5286990176 [1,0,0,1,0,0|1,0,1]=4 1149 B14R2.5443 CC1=C(C=CC=C1)[C@@H]2C[C@H]2C(=O)O MCULE-2903764630 [1,0,0,1,0,0|1,0,1]=4 1150 B14R2.5443 CC1=C(C=CC=C1)[C@H]2C[C@@H]2C(=O)O MCULE-2524337863 [1,0,0,1,0,0|1,0,1]=4 1151 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)Br MCULE-4705375458 [1,0,0,1,0,0|1,0,1]=4 1152 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)Cl MCULE-7590188152 [1,0,0,1,0,0|1,0,1]=4 1153 B14R2.5443 O=C(O)C1CC1C2=C(C=CC=C2)F MCULE-6509112864 [1,0,0,1,0,0|1,0,1]=4 1154 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Br MCULE-7695648049 [1,0,0,1,0,0|1,0,1]=4 1155 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Br MCULE-9647635050 [1,0,0,1,0,0|1,0,1]=4 1156 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)Cl MCULE-7340548555 [1,0,0,1,0,0|1,0,1]=4 1157 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)F MCULE-6077704193 [1,0,0,1,0,0|1,0,1]=4 1158 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC=C2)F MCULE-7361827826 [1,0,0,1,0,0|1,0,1]=4 1159 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2Br MCULE-8656203080 [1,0,0,1,0,0|1,0,1]=4 1160 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2F MCULE-6874271082 [1,0,0,1,0,0|1,0,1]=4 1161 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2Br MCULE-4623389715 [1,0,0,1,0,0|1,0,1]=4 1162 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2Cl MCULE-3948541021 [1,0,0,1,0,0|1,0,1]=4 1163 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2F MCULE-1294858877 [1,0,0,1,0,0|1,0,1]=4 1164 B14R2.8032 NC1=C2CCC(C2=CC=C1)C(=O)O MCULE-5793485229 [1,0,0,1,0,0|0,0,1]=3 1165 B14R2.8032 O=C(O)C1CCC2=C(C=CC=C12)Br MCULE-9163712168 [1,0,0,1,0,0|1,0,1]=4 1166 B14R2.8032 O=C(O)C1CCC2=C(C=CC=C12)Cl MCULE-6798087609 [1,0,0,1,0,0|1,0,1]=4 1167 B14R2.8032 O=C(O)C1CCC2=C1C=CC=C2O MCULE-9139660995 [1,0,0,1,0,0|1,0,1]=4 1168 B14R2.8032 O=C(O)C1COC2=C(C=CC=C12)F MCULE-6385160978 [1,0,0,1,0,0|2,0,0]=4 1169 B14R2.3 O=CCCC1=CNC2=CC=CC=C12 MCULE-6631491514 [1,0,0,1,0,0|1,0,0]=3 1170 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 MCULE-2483523215 [1,0,0,1,0,0|1,0,1]=4 1171 B14R2.3 OOCCC1=CNC2=CC=CC=C12 MCULE-6615259809 [1,0,0,1,0,0|2,0,0]=4 1172 B14R2.8051 NC1=C2C(=O)C=CC(=O)C2=CC=C1 MCULE-2736064858 [1,0,0,1,0,0|0,0,2]=4 1173 B14R2.8051 NC1=CC=CC2=C1C(=O)NNC2=O MCULE-2863184839 [1,0,0,1,0,0|2,0,0]=4 1174 B14R2.8051 NC1=CC=CC2=C1C(=O)NNC2=O MCULE-7859112149 [1,0,0,1,0,0|2,0,0]=4 1175 B14R2.8051 NC1=CC=CC2=C1C(=O)N[N-]C2=O MCULE-4600272231 [1,0,0,1,0,0|2,0,0]=4 1176 B14R2.8051 NC1=CC=CC2=C1C(=O)N[N-]C2=O MCULE-9862852080 [1,0,0,1,0,0|2,0,0]=4 1177 B14R2.8051 O=C1CC[C@@H](C2=CC=CC(=C12)O)O MCULE-2153328988 [1,0,0,1,0,0|1,0,1]=4 1178 B14R2.8051 O=C1CC[C@H](C2=C1C(=CC=C2)O)O MCULE-9311900001 [1,0,0,1,0,0|1,0,1]=4 1179 B14R2.8824 O=C1CC(CC2=C1C=CS2)C(=O)O MCULE-2222106318 [0,0,0,1,1,0|2,0,0]=4 1180 B14R2.8824 O=C1CC(CC2=C1SC=C2)C(=O)O MCULE-6065416812 [0,0,0,1,1,0|2,0,0]=4 1181 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [0,0,0,1,1,0|2,0,0]=4 1182 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [0,0,0,1,1,0|2,0,0]=4 1183 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 MCULE-6562481749 [0,0,0,1,1,0|2,0,0]=4 1184 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 MCULE-4741629356 [0,0,0,1,1,0|1,0,1]=4 1185 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 MCULE-9266736782 [0,0,0,1,1,0|1,0,0]=3 1186 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 MCULE-3393546300 [0,0,0,1,1,0|2,0,0]=4 1187 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1011345996 [0,0,0,1,1,0|2,0,0]=4 1188 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1460737867 [0,0,0,1,1,0|2,0,0]=4 1189 B14R2.2 O=C(O)CC1=CNC2=CC=CN=C12 MCULE-7199890870 [0,0,0,1,1,0|2,0,0]=4 1190 B14R2.2 O=C(O)CC1=CNC2=NC=CC=C12 MCULE-3834471692 [0,0,0,1,1,0|2,0,0]=4 1191 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 MCULE-6197784001 [0,0,0,1,1,0|2,0,0]=4 1192 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 MCULE-5976245234 [0,0,0,1,1,0|2,0,0]=4 1193 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C12 MCULE-8082948728 [0,0,0,1,1,0|1,0,0]=3 1194 B14R2.2 O=C(O)CC1=NNC2=NC=CC=C12 MCULE-6803403652 [0,0,0,1,1,0|2,0,0]=4 1195 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 MCULE-4494939468 [0,0,0,1,1,0|2,0,0]=4 1196 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 MCULE-4666776096 [0,0,0,1,1,0|2,0,0]=4 1197 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-4485519781 [0,0,0,1,1,0|1,0,1]=4 1198 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-9569578698 [0,0,0,1,1,0|1,0,1]=4 1199 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-3608225852 [0,0,0,1,1,0|1,0,1]=4 1200 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-7228643156 [0,0,0,1,1,0|1,0,1]=4 1201 B14R2.52 O=C1CNC2=C(C=CC=C2)C(=O)N1 MCULE-2811393673 [0,0,0,1,1,0|2,0,0]=4 1202 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)C1 MCULE-1617210134 [0,0,0,1,1,0|2,0,0]=4 1203 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O MCULE-7311271488 [0,0,0,1,1,0|1,0,1]=4 1204 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br MCULE-7116187068 [0,0,0,1,1,0|1,0,1]=4 1205 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I MCULE-6991847846 [0,0,0,1,1,0|1,0,1]=4 1206 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)Cl MCULE-1448924250 [0,0,0,1,1,0|1,0,1]=4 1207 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)F MCULE-1364162237 [0,0,0,1,1,0|1,0,1]=4 1208 B14R2.450 O=C(O)C1CC2=CC=CC=C2S1=O MCULE-6449227918 [0,0,0,1,1,0|2,0,0]=4 1209 B14R2.29496 O=C1CS(=O)(=O)NC2=CC=CC=C12 MCULE-1001074666 [0,0,0,1,1,0|1,0,1]=4 1210 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2576748975 [0,0,0,1,0,1|2,0,0]=4 1211 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 MCULE-1008565666 [0,0,0,1,0,1|1,0,1]=4 1212 B16R2.477 O=C(O)CCC1=NC2=C(C=CC=C2)C=C1 MCULE-7965912465 [0,0,0,1,0,1|2,0,0]=4 1213 B16R2.477 O=C(O)CCC1=NC2=CC=CC=C2N=C1 MCULE-2777540649 [0,0,0,1,0,1|1,0,1]=4 1214 B16R2.477 O=C(O)CCC1CNC2=C(C1)C=CC=C2 MCULE-2121494011 [0,0,0,1,0,1|1,0,1]=4 1215 B16R2.3989 NC(=O)CC1NC2=CC=CC=C2NC1=O MCULE-1945149910 [0,0,0,1,0,1|1,0,0]=3 1216 B16R2.3989 NC(=O)CC1NC2=CC=CC=C2NC1=O MCULE-9340297586 [0,0,0,1,0,1|1,0,0]=3 1217 B16R2.3989 NC(=O)CC1SC2=CC=CC=C2NC1=O MCULE-8252691129 [0,0,0,1,0,1|2,0,0]=4 1218 B16R2.3989 NC(=O)C[C@@H]1NC2=CC=CC=C2N=C1O MCULE-6854733824 [0,0,0,1,0,1|1,0,1]=4 1219 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)NC1=O MCULE-7818937255 [0,0,0,1,0,1|1,0,1]=4 1220 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)OC1=O MCULE-5591420389 [0,0,0,1,0,1|1,0,1]=4 1221 B16R2.3989 O=C(O)CC1CC2=CC=CC=C2NC1=O MCULE-5348834434 [0,0,0,1,0,1|1,0,0]=3 1222 B16R2.3989 O=C(O)CC1NC2=CC=CC=C2NC1=O MCULE-8421596240 [0,0,0,1,0,1|0,0,0]=2 1223 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)N=C1O MCULE-7452684121 [0,0,0,1,0,1|1,0,1]=4 1224 B16R2.3989 O=C(O)CC1SC2=CC=CC=C2NC1=O MCULE-2004277248 [0,0,0,1,0,1|1,0,0]=3 1225 B16R2.3989 O=C(O)CC1SC2=NC=CC=C2NC1=O MCULE-1909459185 [0,0,0,1,0,1|2,0,0]=4 1226 B16R2.3989 O=C(O)CN1CC2=C(C=CC=C2)OC1=O MCULE-1569463982 [0,0,0,1,0,1|2,0,0]=4 1227 B16R2.22630 CC1=C2N=C(NC2=CC=C1)CCC(=O)O MCULE-1495464085 [0,0,0,1,0,1|2,0,0]=4 1228 B16R2.22630 O=C(O)CCC1=NC2=C(N1)C=CC=C2F MCULE-4761216895 [0,0,0,1,0,1|2,0,0]=4 1229 B16R2.22630 O=C(O)CCC1=NC2=CC=CC(=C2N1)Cl MCULE-2120851453 [0,0,0,1,0,1|2,0,0]=4 1230 B16R2.22891 CC1=CC=CC2=C1NC(=O)CC2C(=O)O MCULE-8630578392 [0,0,0,1,0,1|1,0,0]=3 1231 B16R2.22891 O=C1CC(C2=C(N1)C(=CC=C2)Cl)C(=O)O MCULE-8030536610 [0,0,0,1,0,1|1,0,0]=3 1232 B16R2.22891 O=C1CC(C2=C(N1)C(=CC=C2)F)C(=O)O MCULE-7112745536 [0,0,0,1,0,1|1,0,0]=3 1233 B16R2.93202 CC1=C2NC(=O)C(C2=CC=C1)CC(=O)O MCULE-6437266692 [0,0,0,1,0,1|1,0,0]=3 1234 B16R2.93202 O=C(O)CC1C(=O)NC2=C(C=CC=C12)Br MCULE-3857276443 [0,0,0,1,0,1|1,0,0]=3 1235 B16R2.93202 O=C(O)CC1C(=O)NC2=C(C=CC=C12)F MCULE-1485858044 [0,0,0,1,0,1|1,0,0]=3 1236 B16R2.93202 O=C(O)CN1C(=O)NC2=C1C=CC=C2F MCULE-8851703685 [0,0,0,1,0,1|2,0,0]=4 1237 B16R2.93202 O=C(O)CN1C(=O)OC2=C(C=CC=C12)Cl MCULE-4559230671 [0,0,0,1,0,1|2,0,0]=4 1238 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-3484861085 [0,0,0,1,0,1|2,0,0]=4 1239 B16R2.36 CC(=O)OCCC1=CNC2=C1C=CC=C2 MCULE-8819515006 [0,0,0,1,0,1|2,0,0]=4 1240 B16R2.36 NC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-7880098416 [0,0,0,1,0,1|2,0,0]=4 1241 B16R2.36 NC(=O)CSCC1=CNC2=CC=CC=C12 MCULE-2182477897 [0,0,0,1,0,1|2,0,0]=4 1242 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 MCULE-5405095437 [0,0,0,1,0,1|2,0,0]=4 1243 B16R2.36 O=C(Cl)CCCC1=CNC2=CC=CC=C12 MCULE-5202346383 [0,0,0,1,0,1|2,0,0]=4 1244 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 MCULE-1997278353 [0,0,0,1,0,1|1,0,0]=3 1245 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 MCULE-5867337649 [0,0,0,1,0,1|2,0,0]=4 1246 B16R2.36 O=C(O)CCSC1=CNC2=C1C=CC=C2 MCULE-1489776866 [0,0,0,1,0,1|1,0,0]=3 1247 B16R2.36 O=C(O)CSCC1=CNC2=CC=CC=C12 MCULE-1572443329 [0,0,0,1,0,1|1,0,0]=3 1248 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 MCULE-4353856647 [0,0,0,1,0,1|1,0,1]=4 1249 B16R2.3270 O=C(O)C1CSC(=N1)C2=C(C=CC=C2)O MCULE-9561199552 [0,0,0,1,0,1|2,0,0]=4 1250 B16R2.3270 O=C(O)[C@@H]1COC(=N1)C2=CC=CC=C2O MCULE-1465874042 [0,0,0,1,0,1|2,0,0]=4 1251 B16R2.3270 O=C(O)[C@H]1CSC(=N1)C2=C(C=CC=C2)O MCULE-1970407091 [0,0,0,1,0,1|2,0,0]=4 1252 B16R2.3356 O=C(O)CCN1CC2=CC=CC=C2C1=O MCULE-1678440942 [0,0,0,1,0,1|1,0,0]=3 1253 B16R2.3356 O=C(O)CCN1N=C2C=CC=CN2C1=O MCULE-1070505083 [0,0,0,1,0,1|1,0,1]=4 1254 B16R2.3356 O=C(O)CCN1NC2=C(C1=O)C=CC=C2 MCULE-6660536691 [0,0,0,1,0,1|0,0,0]=2 1255 B16R2.3356 O=C(O)CCN1SC2=CC=CC=C2C1=O MCULE-2122311779 [0,0,0,1,0,1|1,0,0]=3 1256 B16R2.24933 O=C(O)CC1=CC2=C(C=CC=C2)C(=O)N1 MCULE-1389517041 [0,0,0,1,0,1|1,0,1]=4 1257 B16R2.81677 CC(=O)N1CCC(=O)C2=C(C1)C=CC=C2 MCULE-6521821479 [0,0,0,1,0,1|2,0,0]=4 1258 B16R2.81677 O=C1CCC(CC2=C1C=CC=C2)C(=O)O MCULE-4402815341 [0,0,0,1,0,1|1,0,0]=3 1259 B16R2.16183 C=C1C2=C(C=CC=C2)C(=O)N1CC(=O)O MCULE-6459001952 [0,1,0,1,0,0|2,0,0]=4 1260 B16R2.16183 O=C(O)CN1C(=O)C2=C(C1=O)C=CC=C2 MCULE-5036899786 [0,1,0,1,0,0|2,0,0]=4 1261 B16R2.23331 CN1C(=CC(=O)C2=CC=CC=C12)C(=O)O MCULE-6909422460 [0,1,0,1,0,0|0,0,2]=4 1262 B16R2.83538 O=C(O)CC1=CNC2=CC=CC=C2C1=O MCULE-1003972607 [0,1,0,1,0,0|0,0,1]=3 1263 B16R2.83538 O=C(O)CN1C=CC2=CC=CC=C2C1=O MCULE-9347076532 [0,1,0,1,0,0|2,0,0]=4 1264 B16R2.83538 O=C(O)CN1C=NC2=C(C1=O)C=CC=C2 MCULE-1102168472 [0,1,0,1,0,0|1,0,1]=4 1265 B16R2.83538 O=C(O)CN1C=NC2=C(C1=O)C=CC=C2 MCULE-1898391590 [0,1,0,1,0,0|1,0,1]=4 1266 B16R2.83538 O=C(O)CN1C=NC2=C(C1=O)C=CC=C2 MCULE-9182572615 [0,1,0,1,0,0|1,0,1]=4 1267 B16R2.83538 O=C(O)CN1CCC2=C(C1=O)C=CC=C2 MCULE-4351012341 [0,1,0,1,0,0|2,0,0]=4 1268 B16R2.83538 O=C(O)CN1COC2=C(C1=O)C=CC=C2 MCULE-8346904713 [0,1,0,1,0,0|2,0,0]=4 1269 B16R2.83538 O=C(O)CN1N=CC2=CC=CC=C2C1=O MCULE-6838122312 [0,1,0,1,0,0|1,0,1]=4 1270 B16R2.83538 O=C(O)CN1N=NC2=CC=CC=C2C1=O MCULE-6273941801 [0,1,0,1,0,0|1,0,1]=4 1271 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-1723021666 [0,1,0,1,0,0|1,0,0]=3 1272 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-6156123962 [0,1,0,1,0,0|2,0,0]=4 1273 B16R2.104522 CN1N=C(C2=CC=CC=C12)OCC(=O)O MCULE-9024504068 [0,1,0,1,0,0|2,0,0]=4 1274 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 MCULE-6755596415 [0,1,0,1,0,0|2,0,0]=4 1275 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 MCULE-4075360632 [0,1,0,1,0,0|1,0,1]=4 1276 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 MCULE-1182257474 [0,1,0,1,0,0|1,0,1]=4 1277 B16R2.179941 O=C(O)CCC1=CCCC2=C1C=CC=C2 MCULE-3365793903 [0,1,0,1,0,0|2,0,0]=4 1278 B16R2.179941 O=C(O)CCC1=NC=NC2=CC=CC=C12 MCULE-8762925874 [0,1,0,1,0,0|1,0,1]=4 1279 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O MCULE-4873321993 [0,1,0,1,0,0|1,0,0]=3 1280 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)Br MCULE-3881669082 [0,1,0,1,0,0|1,0,0]=3 1281 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)F MCULE-5570346888 [0,1,0,1,0,0|1,0,0]=3 1282 B16R2.22890 O=C(O)C1=CC(=O)C2=CC=CC(=C2N1)F MCULE-5560019649 [0,1,0,1,0,0|0,0,2]=4 1283 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-1656451925 [0,1,0,1,0,0|1,0,0]=3 1284 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2298347249 [0,1,0,1,0,0|1,0,0]=3 1285 B16R2.520 N[C@@H](CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-4436493722 [0,1,0,1,0,0|1,0,0]=3 1286 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,1,0,1,0,0|1,0,0]=3 1287 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,1,0,1,0,0|2,0,0]=4 1288 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,1,0,1,0,0|1,0,0]=3 1289 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,1,0,1,0,0|2,0,0]=4 1290 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,1,0,1,0,0|2,0,0]=4 1291 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,1,0,1,0,0|2,0,0]=4 1292 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,1,0,1,0,0|2,0,0]=4 1293 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,1,0,1,0,0|2,0,0]=4 1294 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,1,0,1,0,0|2,0,0]=4 1295 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,1,0,1,0,0|2,0,0]=4 1296 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,1,0,1,0,0|2,0,0]=4 1297 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,1,0,1,0,0|1,0,0]=3 1298 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,1,0,1,0,0|2,0,0]=4 1299 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,1,0,1,0,0|2,0,0]=4 1300 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,1,0,1,0,0|2,0,0]=4 1301 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,1,0,1,0,0|2,0,0]=4 1302 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,1,0,1,0,0|2,0,0]=4 1303 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,1,0,1,0,0|2,0,0]=4 1304 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,1,0,1,0,0|2,0,0]=4 1305 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,1,0,1,0,0|1,0,0]=3 1306 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,1,0,1,0,0|1,0,0]=3 1307 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,1,0,1,0,0|2,0,0]=4 1308 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,1,0,1,0,0|2,0,0]=4 1309 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,1,0,1,0,0|2,0,0]=4 1310 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,1,0,1,0,0|2,0,0]=4 1311 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,1,0,1,0,0|2,0,0]=4 1312 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,1,0,1,0,0|2,0,0]=4 1313 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,1,0,1,0,0|2,0,0]=4 1314 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,1,0,1,0,0|2,0,0]=4 1315 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,1,0,1,0,0|2,0,0]=4 1316 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,1,0,1,0,0|2,0,0]=4 1317 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,1,0,1,0,0|1,0,0]=3 1318 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,1,0,1,0,0|2,0,0]=4 1319 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,1,0,1,0,0|1,0,0]=3 1320 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,1,0,1,0,0|1,0,0]=3 1321 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,1,0,1,0,0|2,0,0]=4 1322 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,1,0,1,0,0|2,0,0]=4 1323 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,1,0,1,0,0|2,0,0]=4 1324 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,1,0,1,0,0|2,0,0]=4 1325 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,1,0,1,0,0|2,0,0]=4 1326 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,1,0,1,0,0|1,0,1]=4 1327 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,1,0,1,0,0|1,0,0]=3 1328 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,1,0,1,0,0|1,0,0]=3 1329 B16R2.3355 CC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-9506470979 [0,1,0,1,0,0|2,0,0]=4 1330 B16R2.3355 CC(C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-1138703275 [0,1,0,1,0,0|2,0,0]=4 1331 B16R2.3355 C[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-2644712365 [0,1,0,1,0,0|2,0,0]=4 1332 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-6564818505 [0,1,0,1,0,0|2,0,0]=4 1333 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-6797394670 [0,1,0,1,0,0|2,0,0]=4 1334 B16R2.3355 C[C@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-6440751484 [0,1,0,1,0,0|2,0,0]=4 1335 B16R2.387812 CC1(CC(=O)C2=CC=CC=C2O1)C(=O)O MCULE-9275834213 [0,1,0,1,0,0|1,0,0]=3 1336 B16R2.387812 CC1(CC(=O)N2C=CC=CC2=N1)C(=O)O MCULE-8579365943 [0,1,0,1,0,0|1,0,1]=4 1337 B16R2.387812 CC1(CC2=C(C=CC=C2)C(=O)O1)C(=O)O MCULE-1496096081 [0,1,0,1,0,0|2,0,0]=4 1338 B16R2.14 CC(=NO)CCC1=CNC2=C1C=CC=C2 MCULE-4117218273 [0,1,0,1,0,0|2,0,0]=4 1339 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-6058936857 [0,1,0,1,0,0|1,0,0]=3 1340 B16R2.14 NNC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-2439340262 [0,1,0,1,0,0|2,0,0]=4 1341 B16R2.1170 COC(=O)CN1CC2=C(C1=O)C=CC=C2 MCULE-6669717687 [0,1,0,1,0,0|2,0,0]=4 1342 B16R2.33887 COC(=O)C1=CC(=O)C2=CC=CC=C2N1 MCULE-6286715881 [0,1,0,1,0,0|0,0,2]=4 1343 B16R2.33887 COC(=O)C1CC2=CC=CC=C2C(=O)O1 MCULE-5086890888 [0,1,0,1,0,0|2,0,0]=4 1344 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [0,1,0,1,0,0|1,0,0]=3 1345 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Br MCULE-7968399311 [0,1,0,1,0,0|1,0,0]=3 1346 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Cl MCULE-1091258850 [0,1,0,1,0,0|1,0,0]=3 1347 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)F MCULE-5084506987 [0,1,0,1,0,0|1,0,0]=3 1348 B16R2.133406 CC1=CC=C2C(=O)CC(CC2=C1)C(=O)O MCULE-7852063384 [0,1,0,1,0,0|1,0,0]=3 1349 B16R2.133406 O=C(O)C1=CC(=O)C2=C(N1)C=C(C=C2)Br MCULE-7526142999 [0,1,0,1,0,0|0,0,2]=4 1350 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(C=C2N1)F MCULE-3348499963 [0,1,0,1,0,0|0,0,2]=4 1351 B16R2.133406 O=C1OC(CC2=C1C=CC(=C2)F)C(=O)O MCULE-2610680948 [0,1,0,1,0,0|2,0,0]=4 1352 B16R2.133406 O=C1OC(CC2=CC(=CC=C12)Cl)C(=O)O MCULE-3652461405 [0,1,0,1,0,0|2,0,0]=4 1353 B16R2.145452 O=C(O)C1CS(=O)(=O)C2=C(O1)C=CC=C2 MCULE-3564747074 [0,1,0,1,0,0|2,0,0]=4 1354 B16R2.145452 O=C(O)C1NC2=C(C=CC=C2)S(=O)(=O)N1 MCULE-6951084492 [0,1,0,1,0,0|2,0,0]=4 1355 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O MCULE-3911363614 [0,1,0,1,0,0|1,0,0]=3 1356 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Br MCULE-4118032651 [0,1,0,1,0,0|1,0,0]=3 1357 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Cl MCULE-4256140437 [0,1,0,1,0,0|1,0,0]=3 1358 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)F MCULE-7647345792 [0,1,0,1,0,0|1,0,0]=3 1359 B16R2.12029 NC1=CC=C2CN(C(=O)C2=C1)CC(=O)O MCULE-1866450458 [0,1,0,1,0,0|2,0,0]=4 1360 B16R2.12029 O=C(O)CN1CC2=CC=C(C=C2C1=O)F MCULE-1459655588 [0,1,0,1,0,0|2,0,0]=4 1361 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [0,1,0,1,0,0|2,0,0]=4 1362 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [0,1,0,1,0,0|2,0,0]=4 1363 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [0,1,0,1,0,0|2,0,0]=4 1364 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [0,1,0,1,0,0|1,0,0]=3 1365 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [0,1,0,1,0,0|1,0,0]=3 1366 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [0,1,0,1,0,0|1,0,0]=3 1367 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [0,1,0,1,0,0|1,0,0]=3 1368 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [0,1,0,1,0,0|1,0,0]=3 1369 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [0,1,0,1,0,0|1,0,0]=3 1370 B16R2.23501 CC1=CC2=C(C=C1)CC(CC2=O)C(=O)O MCULE-5724018963 [0,1,0,1,0,0|1,0,0]=3 1371 B16R2.23501 CC1=CC=C2NC(=CC(=O)C2=C1)C(=O)O MCULE-3131420063 [0,1,0,1,0,0|0,0,2]=4 1372 B16R2.23501 NC(=O)C1CC(=O)C2=CC(=CC=C2O1)F MCULE-4577583631 [0,1,0,1,0,0|2,0,0]=4 1373 B16R2.23501 NC1=CC2=C(C=C1)NC(=CC2=O)C(=O)O MCULE-2855341261 [0,1,0,1,0,0|0,0,2]=4 1374 B16R2.23501 O=C(O)C1=CC(=O)C2=C(N1)C=CC(=C2)Br MCULE-5358856785 [0,1,0,1,0,0|0,0,2]=4 1375 B16R2.23501 O=C(O)C1=CC(=O)C2=C(N1)C=CC(=C2)F MCULE-1003960491 [0,1,0,1,0,0|0,0,2]=4 1376 B16R2.23501 O=C(O)C1=NC(=O)C2=C(N1)C=CC(=C2)Cl MCULE-2883953529 [0,1,0,1,0,0|1,0,1]=4 1377 B16R2.23501 O=C1CC(OC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3898266825 [0,1,0,1,0,0|1,0,0]=3 1378 B16R2.23501 O=C1CC(OC2=C1C=C(C=C2)F)C(=O)O MCULE-7046687063 [0,1,0,1,0,0|1,0,0]=3 1379 B16R2.23501 O=C1CC(OC2=CC=C(C=C12)Br)C(=O)O MCULE-3995076938 [0,1,0,1,0,0|1,0,0]=3 1380 B16R2.23501 O=C1CC(SC2=C1C=C(C=C2)Br)C(=O)O MCULE-1775471735 [0,1,0,1,0,0|1,0,0]=3 1381 B16R2.23501 O=C1C[C@H](OC2=C1C=C(C=C2)F)C(=O)O MCULE-3769573807 [0,1,0,1,0,0|1,0,0]=3 1382 B16R2.23501 O=C1OC(CC2=C1C=C(C=C2)F)C(=O)O MCULE-7624107849 [0,1,0,1,0,0|2,0,0]=4 1383 B16R2.23501 O=C1OC(CC2=CC=C(C=C12)Br)C(=O)O MCULE-4509900946 [0,1,0,1,0,0|2,0,0]=4 1384 B16R2.23501 O=C1OC(CC2=CC=C(C=C12)Cl)C(=O)O MCULE-2811278677 [0,1,0,1,0,0|2,0,0]=4 1385 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)N MCULE-2768308411 [0,1,0,1,0,0|2,0,0]=4 1386 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)SCC(=O)O MCULE-9641494982 [0,1,0,1,0,0|2,0,0]=4 1387 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CCC(=O)O MCULE-2157412879 [0,1,0,1,0,0|1,0,0]=3 1388 B16R2.4003 CC1=C(C2=CC=CN=C2N1)CCC(=O)O MCULE-2514335887 [0,1,0,1,0,0|2,0,0]=4 1389 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [0,1,0,1,0,0|0,0,1]=3 1390 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 MCULE-8426898486 [0,1,0,1,0,0|1,0,0]=3 1391 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C12 MCULE-8455578801 [0,1,0,1,0,0|2,0,0]=4 1392 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C12 MCULE-3913775175 [0,1,0,1,0,0|2,0,0]=4 1393 B16R3.2637 O=C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-1954151692 [0,0,0,2,0,0|2,0,0]=4 1394 B16R3.17569 O=C1CCC2=CNC3=C2C(=CC=C3)N1 MCULE-1424890738 [0,0,0,2,0,0|2,0,0]=4 1395 B16R3.13500 O=C1CC2C(=O)C3=C(C2N1)C=CC=C3 MCULE-5950759315 [0,0,0,2,0,0|2,0,0]=4 1396 B12R1.54 CC(=O)CCC(=O)C1=CC=CO1 MCULE-6143224711 [1,0,0,0,1,0|2,0,0]=4 1397 B12R1.54 CC(=O)CCC(=O)C1=CC=CS1 MCULE-7592855571 [1,0,0,0,1,0|2,0,0]=4 1398 B12R1.54 CC(=O)CCC(=O)C1=COC=C1 MCULE-1696593099 [1,0,0,0,1,0|2,0,0]=4 1399 B12R1.54 O=C(O)CCC(=O)C1=CC=CN1 MCULE-3986180053 [1,0,0,0,1,0|1,0,0]=3 1400 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 MCULE-3985171621 [1,0,0,0,1,0|1,0,0]=3 1401 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 MCULE-2553050182 [1,0,0,0,1,0|1,0,0]=3 1402 B12R1.54 O=C(O)CCC(=O)C1=CSC=C1 MCULE-3124745479 [1,0,0,0,1,0|1,0,0]=3 1403 B12R1.54 O=C(O)CNC(=O)C1=CC=CN1 MCULE-6005756608 [1,0,0,0,1,0|2,0,0]=4 1404 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 MCULE-2987926118 [1,0,0,0,1,0|2,0,0]=4 1405 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 MCULE-8788482015 [1,0,0,0,1,0|2,0,0]=4 1406 B12R1.54 O=C(O)CNC(=O)C1=COC=C1 MCULE-7494176457 [1,0,0,0,1,0|2,0,0]=4 1407 B12R1.54 O=C(O)CNC(=O)C1=CSC=C1 MCULE-1040680901 [1,0,0,0,1,0|2,0,0]=4 1408 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 MCULE-7874888021 [1,0,0,0,1,0|1,0,1]=4 1409 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)O MCULE-6103512840 [1,0,0,0,1,0|1,0,1]=4 1410 B12R1.107 CC(=CC(=O)O)C1=CC=CC=C1 MCULE-4290555990 [1,0,0,0,1,0|1,0,1]=4 1411 B12R1.107 CC(=N)CC(=O)C1=CC=CC=C1 MCULE-8441112827 [1,0,0,0,1,0|2,0,0]=4 1412 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 MCULE-5543155182 [1,0,0,0,1,0|1,0,0]=3 1413 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 MCULE-4723608816 [1,0,0,0,1,0|2,0,0]=4 1414 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 MCULE-6196692809 [1,0,0,0,1,0|2,0,0]=4 1415 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 MCULE-6250336922 [1,0,0,0,1,0|2,0,0]=4 1416 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 MCULE-1818982541 [1,0,0,0,1,0|1,0,1]=4 1417 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 MCULE-9130531300 [1,0,0,0,1,0|1,0,1]=4 1418 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 MCULE-4486543495 [1,0,0,0,1,0|2,0,0]=4 1419 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 MCULE-8724497404 [1,0,0,0,1,0|2,0,0]=4 1420 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-6537602947 [1,0,0,0,1,0|1,0,1]=4 1421 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-1783067351 [1,0,0,0,1,0|1,0,1]=4 1422 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 MCULE-9691688431 [1,0,0,0,1,0|1,0,0]=3 1423 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 MCULE-1037521403 [1,0,0,0,1,0|2,0,0]=4 1424 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-2945759933 [1,0,0,0,1,0|1,0,1]=4 1425 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-3660219565 [1,0,0,0,1,0|1,0,1]=4 1426 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-5669000935 [1,0,0,0,1,0|1,0,1]=4 1427 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MCULE-6127429811 [1,0,0,0,1,0|1,0,1]=4 1428 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 MCULE-6961208756 [1,0,0,0,1,0|2,0,0]=4 1429 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-2881987414 [1,0,0,0,1,0|1,0,1]=4 1430 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-4499633586 [1,0,0,0,1,0|1,0,1]=4 1431 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-8154475618 [1,0,0,0,1,0|1,0,1]=4 1432 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 MCULE-9668897685 [1,0,0,0,1,0|1,0,1]=4 1433 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-1696975646 [1,0,0,0,1,0|1,0,1]=4 1434 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-4246457220 [1,0,0,0,1,0|1,0,1]=4 1435 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-6312772741 [1,0,0,0,1,0|1,0,1]=4 1436 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 MCULE-9809220026 [1,0,0,0,1,0|1,0,1]=4 1437 B12R1.107 O=C(CN(=O)=O)C1=CC=CC=C1 MCULE-4522441792 [1,0,0,0,1,0|1,0,1]=4 1438 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 MCULE-6221631058 [1,0,0,0,1,0|0,0,0]=2 1439 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 MCULE-7295763261 [1,0,0,0,1,0|1,0,1]=4 1440 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 MCULE-3174091335 [1,0,0,0,1,0|0,0,2]=4 1441 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 MCULE-8184353492 [1,0,0,0,1,0|0,0,2]=4 1442 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 MCULE-5469995618 [1,0,0,0,1,0|0,0,2]=4 1443 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 MCULE-2660128967 [1,0,0,0,1,0|0,0,1]=3 1444 B12R1.107 [C@@H](C)(CC(=O)O)C1=CC=CC=C1 MCULE-2554692536 [1,0,0,0,1,0|1,0,1]=4 1445 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F MCULE-3742205438 [1,0,0,0,1,0|2,0,0]=4 1446 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl MCULE-4579663497 [1,0,0,0,1,0|2,0,0]=4 1447 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O MCULE-1863841147 [1,0,0,0,1,0|1,0,0]=3 1448 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O MCULE-7437954656 [1,0,0,0,1,0|2,0,0]=4 1449 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O MCULE-3348543127 [1,0,0,0,1,0|2,0,0]=4 1450 B12R1.125 CC1=C(C=CN=C1)CCC(=O)O MCULE-7877508148 [1,0,0,0,1,0|2,0,0]=4 1451 B12R1.125 CC1=C(C=NC=C1)CCC(=O)O MCULE-5337466065 [1,0,0,0,1,0|2,0,0]=4 1452 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O MCULE-3173547421 [1,0,0,0,1,0|2,0,0]=4 1453 B12R1.125 CC1=CC=CC=C1/C=C/C(=O)O MCULE-4568393226 [1,0,0,0,1,0|1,0,1]=4 1454 B12R1.125 CC1=CC=CC=C1C=CC(=O)O MCULE-7568109044 [1,0,0,0,1,0|1,0,1]=4 1455 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl MCULE-5434283461 [1,0,0,0,1,0|2,0,0]=4 1456 B12R1.125 CC1=CC=CC=C1NCC(=O)O MCULE-9934026722 [1,0,0,0,1,0|2,0,0]=4 1457 B12R1.125 CC1=NC=CC=C1CCC(=O)O MCULE-3519127515 [1,0,0,0,1,0|2,0,0]=4 1458 B12R1.125 CC1=NC=CC=C1CCC(=O)O MCULE-7810332925 [1,0,0,0,1,0|2,0,0]=4 1459 B12R1.125 NC(=O)CCC1=C(C=CC=C1)F MCULE-3464151618 [1,0,0,0,1,0|2,0,0]=4 1460 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N MCULE-7163988486 [1,0,0,0,1,0|1,0,0]=3 1461 B12R1.125 NC(=O)CCC1=CC=CC=C1Cl MCULE-7359271020 [1,0,0,0,1,0|2,0,0]=4 1462 B12R1.125 NC(=O)CCC1=CC=CC=C1O MCULE-6563350140 [1,0,0,0,1,0|2,0,0]=4 1463 B12R1.125 NC(=O)CSC1=CC=CC=C1N MCULE-8446030479 [1,0,0,0,1,0|2,0,0]=4 1464 B12R1.125 NC1=C(C=CC=C1)C=CC(=O)O MCULE-1813623710 [1,0,0,0,1,0|0,0,1]=3 1465 B12R1.125 NC1=C(C=CC=C1)SCC(=O)O MCULE-2684589425 [1,0,0,0,1,0|1,0,0]=3 1466 B12R1.125 NC1=C(C=CC=N1)C=CC(=O)O MCULE-2950226173 [1,0,0,0,1,0|1,0,1]=4 1467 B12R1.125 NC1=CC=NC=C1C=CC(=O)O MCULE-4130517568 [1,0,0,0,1,0|1,0,1]=4 1468 B12R1.125 NC1=NC=CC=C1/C=C/C(=O)O MCULE-3009837322 [1,0,0,0,1,0|1,0,1]=4 1469 B12R1.125 O=C(Cl)CCC1=C(C=CC=C1)Cl MCULE-6612912792 [1,0,0,0,1,0|2,0,0]=4 1470 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F MCULE-6200765385 [1,0,0,0,1,0|2,0,0]=4 1471 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br MCULE-9715214740 [1,0,0,0,1,0|1,0,1]=4 1472 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F MCULE-5550079587 [1,0,0,0,1,0|1,0,1]=4 1473 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)O MCULE-5451854573 [1,0,0,0,1,0|1,0,1]=4 1474 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1Cl MCULE-6586897772 [1,0,0,0,1,0|1,0,1]=4 1475 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1I MCULE-4367628203 [1,0,0,0,1,0|1,0,1]=4 1476 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)Br MCULE-1992481262 [1,0,0,0,1,0|1,0,1]=4 1477 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)F MCULE-2337664175 [1,0,0,0,1,0|1,0,1]=4 1478 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)I MCULE-8228854548 [1,0,0,0,1,0|1,0,1]=4 1479 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)O MCULE-7485332494 [1,0,0,0,1,0|1,0,1]=4 1480 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl MCULE-7865645572 [1,0,0,0,1,0|1,0,1]=4 1481 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br MCULE-8663170653 [1,0,0,0,1,0|1,0,0]=3 1482 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl MCULE-2881103060 [1,0,0,0,1,0|1,0,0]=3 1483 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F MCULE-6298600610 [1,0,0,0,1,0|1,0,0]=3 1484 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O MCULE-1055140821 [1,0,0,0,1,0|1,0,0]=3 1485 B12R1.125 O=C(O)CCC1=C(C=NC=C1)Cl MCULE-2478028837 [1,0,0,0,1,0|2,0,0]=4 1486 B12R1.125 O=C(O)CCC1=C(C=NC=C1)F MCULE-6252605434 [1,0,0,0,1,0|2,0,0]=4 1487 B12R1.125 O=C(O)CCC1=C(N=CC=C1)Cl MCULE-4820330692 [1,0,0,0,1,0|2,0,0]=4 1488 B12R1.125 O=C(O)CCC1=C(N=CC=C1)F MCULE-6425720730 [1,0,0,0,1,0|2,0,0]=4 1489 B12R1.125 O=C(O)CCC1=CC=CC=C1I MCULE-2650420493 [1,0,0,0,1,0|1,0,0]=3 1490 B12R1.125 O=C(O)CCC1=CC=CN=C1Br MCULE-2674571642 [1,0,0,0,1,0|2,0,0]=4 1491 B12R1.125 O=C(O)CCC1=NC=CC=C1Br MCULE-1356656825 [1,0,0,0,1,0|2,0,0]=4 1492 B12R1.125 O=C(O)CCN1C=CC=CC1=O MCULE-4101713123 [1,0,0,0,1,0|2,0,0]=4 1493 B12R1.125 O=C(O)CCN1C=CC=CC1=O MCULE-5586331788 [1,0,0,0,1,0|2,0,0]=4 1494 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Br MCULE-2469324501 [1,0,0,0,1,0|2,0,0]=4 1495 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl MCULE-3724211762 [1,0,0,0,1,0|2,0,0]=4 1496 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F MCULE-7862978402 [1,0,0,0,1,0|2,0,0]=4 1497 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br MCULE-6691121226 [1,0,0,0,1,0|2,0,0]=4 1498 B12R1.125 O=C(O)COC1=C(C=CC=C1)I MCULE-8125182578 [1,0,0,0,1,0|2,0,0]=4 1499 B12R1.125 O=C(O)COC1=CC=CC=C1Cl MCULE-3851170810 [1,0,0,0,1,0|2,0,0]=4 1500 B12R1.125 O=C(O)COC1=CC=CC=C1F MCULE-6414470288 [1,0,0,0,1,0|2,0,0]=4 1501 B12R1.125 O=C(O)COC1=CC=CC=C1O MCULE-3539626165 [1,0,0,0,1,0|2,0,0]=4 1502 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br MCULE-6245797989 [1,0,0,0,1,0|2,0,0]=4 1503 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl MCULE-8471018138 [1,0,0,0,1,0|2,0,0]=4 1504 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F MCULE-6358016234 [1,0,0,0,1,0|2,0,0]=4 1505 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O MCULE-9851363930 [1,0,0,0,1,0|2,0,0]=4 1506 B12R1.130 NC1=C(SC=C1)CCCC(=O)O MCULE-3797276135 [1,0,0,0,1,0|1,0,1]=4 1507 B12R1.130 NC1=C(SC=C1)CCCC(=O)O MCULE-5452452225 [1,0,0,0,1,0|1,0,1]=4 1508 B12R1.124 CC(=O)C(=O)C1=CC=CC=C1Cl MCULE-3203147588 [0,0,0,0,2,0|2,0,0]=4 1509 B12R1.124 CC1=CC=CC=C1C(=O)C(=O)O MCULE-8017209587 [0,0,0,0,2,0|1,0,0]=3 1510 B12R1.124 NC1=C(C=CC=C1)C(=O)C(=O)O MCULE-2520363952 [0,0,0,0,2,0|0,0,0]=2 1511 B12R1.124 NC1=C(C=CC=C1)C(=O)C(=O)[O-] MCULE-5103126572 [0,0,0,0,2,0|0,0,1]=3 1512 B12R1.124 O=C(Cl)C(=O)C1=CC=CC=C1Cl MCULE-8599730324 [0,0,0,0,2,0|2,0,0]=4 1513 B12R1.124 O=C(O)C(=O)C1=C(C=CC=C1)Cl MCULE-5008924385 [0,0,0,0,2,0|1,0,0]=3 1514 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Br MCULE-7178240083 [0,0,0,0,2,0|1,0,0]=3 1515 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1F MCULE-8183248709 [0,0,0,0,2,0|1,0,0]=3 1516 B12R1.124 O=C(O)C(=O)C1=CC=CN=C1O MCULE-5922854073 [0,0,0,0,2,0|2,0,0]=4 1517 B14R1.420 C/C(=N/OCC(=O)O)/C1=CC=CC=C1 MCULE-3235144852 [1,0,0,0,0,1|2,0,0]=4 1518 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 MCULE-3355590561 [1,0,0,0,0,1|1,0,0]=3 1519 B14R1.420 CC(=NOCC(=O)O)C1=CC=CC=C1 MCULE-3655418611 [1,0,0,0,0,1|2,0,0]=4 1520 B14R1.420 CC(=O)CCCC(=O)C1=NC=CC=C1 MCULE-5323019841 [1,0,0,0,0,1|2,0,0]=4 1521 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 MCULE-3789491063 [1,0,0,0,0,1|1,0,0]=3 1522 B14R1.420 CC(CCCC(=O)O)C1=CC=CC=C1 MCULE-7532695944 [1,0,0,0,0,1|1,0,1]=4 1523 B14R1.420 CC(COCC(=O)O)C1=CC=CC=C1 MCULE-5048283025 [1,0,0,0,0,1|1,0,1]=4 1524 B14R1.420 CC(NCCC(=O)O)C1=CC=CC=C1 MCULE-7791545562 [1,0,0,0,0,1|1,0,1]=4 1525 B14R1.420 CC(SCCC(=O)O)C1=CC=CC=C1 MCULE-9108523998 [1,0,0,0,0,1|1,0,1]=4 1526 B14R1.420 CN(CCCC(=O)O)C1=CC=CC=C1 MCULE-2847041735 [1,0,0,0,0,1|2,0,0]=4 1527 B14R1.420 NC(=O)CCCC(=O)C1=CC=CC=C1 MCULE-9094711769 [1,0,0,0,0,1|1,0,0]=3 1528 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-2511685381 [1,0,0,0,0,1|1,0,1]=4 1529 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-3268292691 [1,0,0,0,0,1|1,0,1]=4 1530 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-4083411228 [1,0,0,0,0,1|1,0,1]=4 1531 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-6742004481 [1,0,0,0,0,1|1,0,1]=4 1532 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-1095590446 [1,0,0,0,0,1|1,0,1]=4 1533 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-5504214390 [1,0,0,0,0,1|1,0,1]=4 1534 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9472436551 [1,0,0,0,0,1|1,0,1]=4 1535 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9528661588 [1,0,0,0,0,1|1,0,1]=4 1536 B14R1.420 O=C(Cl)CCCC(=O)C1=CC=CC=C1 MCULE-9199007250 [1,0,0,0,0,1|1,0,0]=3 1537 B14R1.420 O=C(O)C=NNC(=O)C1=CC=CC=C1 MCULE-2455675484 [1,0,0,0,0,1|1,0,1]=4 1538 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MCULE-1720844080 [1,0,0,0,0,1|0,0,0]=2 1539 B14R1.420 O=C(O)CCCC(=O)C1=CC=NC=C1 MCULE-4835033895 [1,0,0,0,0,1|1,0,0]=3 1540 B14R1.420 O=C(O)CCCC(=O)C1=CN=CC=C1 MCULE-3407445136 [1,0,0,0,0,1|1,0,0]=3 1541 B14R1.420 O=C(O)CCCC(=O)C1=NC=CC=C1 MCULE-4142030534 [1,0,0,0,0,1|1,0,0]=3 1542 B14R1.420 O=C(O)CCCC(O)C1=CC=CC=C1 MCULE-9363545821 [1,0,0,0,0,1|0,0,2]=4 1543 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 MCULE-7715802662 [1,0,0,0,0,1|0,0,0]=2 1544 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 MCULE-4830439745 [1,0,0,0,0,1|1,0,0]=3 1545 B14R1.420 O=C(O)CCNC(=O)C1=CN=CC=C1 MCULE-2571415591 [1,0,0,0,0,1|1,0,0]=3 1546 B14R1.420 O=C(O)CCNC(=O)C1=NC=CN=C1 MCULE-2946887981 [1,0,0,0,0,1|2,0,0]=4 1547 B14R1.420 O=C(O)CNCC(=O)C1=NC=CN=C1 MCULE-4981069103 [1,0,0,0,0,1|2,0,0]=4 1548 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 MCULE-1333438402 [1,0,0,0,0,1|0,0,0]=2 1549 B14R1.420 O=C(OCCN(=O)=O)C1=CC=CC=C1 MCULE-7644815707 [1,0,0,0,0,1|1,0,1]=4 1550 B14R1.420 O=C([O-])CCNC(=O)C1=CC=CN=C1 MCULE-6210151544 [1,0,0,0,0,1|1,0,1]=4 1551 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)N MCULE-1834809878 [1,0,0,0,0,1|2,0,0]=4 1552 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)N MCULE-8262707985 [1,0,0,0,0,1|2,0,0]=4 1553 B14R1.159 CC1=C(C=CC=C1)CNCCC(=O)O MCULE-1254955317 [1,0,0,0,0,1|1,0,1]=4 1554 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)O MCULE-9756126204 [1,0,0,0,0,1|1,0,1]=4 1555 B14R1.159 CC1=CC=CC=C1CNCCC(=O)O MCULE-7705335835 [1,0,0,0,0,1|1,0,1]=4 1556 B14R1.159 CC1=CC=CC=C1CSCCC(=O)O MCULE-6146369576 [1,0,0,0,0,1|1,0,1]=4 1557 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Br MCULE-3558997820 [1,0,0,0,0,1|1,0,1]=4 1558 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl MCULE-1534741120 [1,0,0,0,0,1|1,0,1]=4 1559 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)F MCULE-1463694703 [1,0,0,0,0,1|1,0,1]=4 1560 B14R1.159 O=C(O)CCCSC1=C(C=CC=C1)Br MCULE-5979553325 [1,0,0,0,0,1|1,0,1]=4 1561 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)Cl MCULE-7939651207 [1,0,0,0,0,1|1,0,1]=4 1562 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)Cl MCULE-9871996658 [1,0,0,0,0,1|1,0,1]=4 1563 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)F MCULE-3305330060 [1,0,0,0,0,1|1,0,1]=4 1564 B14R1.159 O=C(O)CCNCC1=CC=CC=C1F MCULE-9410913710 [1,0,0,0,0,1|1,0,1]=4 1565 B14R1.159 O=C(O)CCSCC1=C(C=CC=C1)F MCULE-4728423659 [1,0,0,0,0,1|1,0,1]=4 1566 B14R1.159 O=C(O)CCSCC1=CC=CC=C1Cl MCULE-7834537893 [1,0,0,0,0,1|1,0,1]=4 1567 B14R1.159 O=C(O)COCCC1=C(C=CC=C1)Br MCULE-3351948829 [1,0,0,0,0,1|1,0,1]=4 1568 B14R1.159 O=C(O)CON=CC1=C(C=CC=C1)O MCULE-2463915692 [1,0,0,0,0,1|2,0,0]=4 1569 B14R1.946 CCCCC(=O)NC1=CC=CC=C1N MCULE-7038826033 [1,0,0,0,0,1|1,0,1]=4 1570 B14R1.4488 CC1=C(SC=C1)C(=O)CCCC(=O)O MCULE-8912099009 [0,0,0,0,1,1|2,0,0]=4 1571 B16R1.400 CC1=C(C=CC=C1)OCC(=O)NCC(=O)O MCULE-8329688923 [0,0,0,0,0,2|2,0,0]=4 1572 B16R1.400 CC1=CC=CC=C1C=CC(=O)NCC(=O)O MCULE-7770820823 [0,0,0,0,0,2|2,0,0]=4 1573 B16R1.400 O=C(O)CCC(=O)NCC1=C(C=CC=C1)Cl MCULE-1561154729 [0,0,0,0,0,2|1,0,0]=3 1574 B16R1.400 O=C(O)CNC(=O)C=CC1=CC=CC=C1Cl MCULE-4437402883 [0,0,0,0,0,2|2,0,0]=4 1575 B16R1.400 O=C(O)CNC(=O)C=CC1=CC=CC=C1F MCULE-7315957610 [0,0,0,0,0,2|2,0,0]=4 1576 B16R1.7414 CC1=C(C=CC=C1)NC(=O)CCCC(=O)O MCULE-3342652667 [0,0,0,0,0,2|1,0,0]=3 1577 B16R1.7414 CC1=CC=CC=C1NC(=O)CSCC(=O)O MCULE-5967606923 [0,0,0,0,0,2|1,0,0]=3 1578 B16R1.7414 NC(=O)CSCC(=O)NC1=C(C=CC=C1)F MCULE-8532071255 [0,0,0,0,0,2|2,0,0]=4 1579 B16R1.7414 NC1=NC=CC=C1NC(=O)CCCC(=O)O MCULE-7236758782 [0,0,0,0,0,2|1,0,0]=3 1580 B16R1.7414 O=C(O)CCCC(=O)NC1=C(C=CC=C1)Br MCULE-9476137332 [0,0,0,0,0,2|1,0,0]=3 1581 B16R1.7414 O=C(O)CCCC(=O)NC1=C(C=CC=C1)Cl MCULE-5198502353 [0,0,0,0,0,2|1,0,0]=3 1582 B16R1.7414 O=C(O)CCCC(=O)NC1=CC=CC=C1I MCULE-2325637205 [0,0,0,0,0,2|1,0,0]=3 1583 B16R1.7414 O=C(O)CCCC(=O)NC1=CC=CC=C1O MCULE-6602979395 [0,0,0,0,0,2|1,0,0]=3 1584 B16R1.7414 O=C(O)CCCC(=O)NC1=NC=CC=C1Cl MCULE-7762352834 [0,0,0,0,0,2|2,0,0]=4 1585 B16R1.7414 O=C(O)COCC(=O)NC1=CC=CC=C1O MCULE-9277859338 [0,0,0,0,0,2|1,0,0]=3 1586 B16R1.7414 O=C(O)CSCC(=O)NC1=C(C=CC=C1)Cl MCULE-3246033309 [0,0,0,0,0,2|1,0,0]=3 1587 B16R1.7414 O=C(O)CSCC(=O)NC1=C(C=CC=C1)F MCULE-2560446701 [0,0,0,0,0,2|1,0,0]=3 1588 B16R1.10817 CC(=O)NCCNC(=O)C1=C(C=CC=C1)N MCULE-3863394460 [0,0,0,0,0,2|1,0,0]=3 1589 B16R1.10817 CC(=O)NCCSC(=O)C1=C(C=CC=C1)F MCULE-4933316884 [0,0,0,0,0,2|2,0,0]=4 1590 B16R1.10817 CC1=C(C=CC=C1)C(=O)CCCCC(=O)O MCULE-9993242574 [0,0,0,0,0,2|1,0,0]=3 1591 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)Br MCULE-9649488550 [0,0,0,0,0,2|1,0,0]=3 1592 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)Cl MCULE-8142111727 [0,0,0,0,0,2|1,0,0]=3 1593 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)F MCULE-7395714403 [0,0,0,0,0,2|1,0,0]=3 1594 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)I MCULE-9999597395 [0,0,0,0,0,2|1,0,0]=3 1595 B16R1.10817 O=C(O)CCCNC(=O)C1=C(C=CC=C1)Br MCULE-7765466387 [0,0,0,0,0,2|1,0,0]=3 1596 B16R1.10817 O=C(O)CCCNC(=O)C1=C(N=CC=C1)Cl MCULE-8607172360 [0,0,0,0,0,2|2,0,0]=4 1597 B16R1.10817 O=C(O)CCCNC(=O)C1=CC=CC=C1Cl MCULE-5418059444 [0,0,0,0,0,2|1,0,0]=3