0 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-3484861085 [0,0,0,0,0,0|2,0,0]=2 1 B16R2.36 CC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-5420752814 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.36 CC(=O)OCCC1=CNC2=C1C=CC=C2 MCULE-8819515006 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-3624253378 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-6669922334 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-7927210820 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.36 NC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-7880098416 [0,0,0,0,0,0|1,0,0]=1 7 B16R2.36 NC(=O)CSCC1=CNC2=CC=CC=C12 MCULE-2182477897 [0,0,0,0,0,0|2,0,0]=2 8 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 MCULE-5405095437 [0,0,0,0,0,0|2,0,0]=2 9 B16R2.36 NC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3098683675 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.36 NC(=S)CCCC1=CNC2=C1C=CC=C2 MCULE-9048575666 [0,0,0,0,0,0|1,1,0]=2 11 B16R2.36 NC(=S)NCCC1=CNC2=CC=CC=C12 MCULE-5137799018 [0,0,0,0,0,0|2,1,0]=3 12 B16R2.36 O=C(Cl)CCCC1=CNC2=CC=CC=C12 MCULE-5202346383 [0,0,0,0,0,0|1,0,0]=1 13 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 MCULE-1997278353 [0,0,0,0,0,0|0,0,0]=0 14 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 MCULE-5867337649 [0,0,0,0,0,0|1,0,0]=1 15 B16R2.36 O=C(O)CCCC1=NN=C2N1C=CC=C2 MCULE-8537495636 [0,0,0,0,0,0|2,0,1]=3 16 B16R2.36 O=C(O)CCCN1C=NC2=C1C=CC=C2 MCULE-1883575296 [0,0,0,0,0,0|1,0,1]=2 17 B16R2.36 O=C(O)CCCN1C=NC2=CC=CC=C12 MCULE-3329921832 [0,0,0,0,0,0|1,0,1]=2 18 B16R2.36 O=C(O)CCCN1CCC2=C1C=CC=C2 MCULE-6129946978 [0,0,0,0,0,0|2,0,1]=3 19 B16R2.36 O=C(O)CCCN1CCC2=C1C=CC=C2 MCULE-9343094141 [0,0,0,0,0,0|2,0,1]=3 20 B16R2.36 O=C(O)CCCN1N=CC2=CC=CC=C12 MCULE-7223918646 [0,0,0,0,0,0|3,0,0]=3 21 B16R2.36 O=C(O)CCCN1N=NC2=CC=CC=C12 MCULE-2521738415 [0,0,0,0,0,0|2,0,1]=3 22 B16R2.36 O=C(O)CCSC1=CNC2=C1C=CC=C2 MCULE-1489776866 [0,0,0,0,0,0|1,0,0]=1 23 B16R2.36 O=C(O)CSCC1=CNC2=CC=CC=C12 MCULE-1572443329 [0,0,0,0,0,0|1,0,0]=1 24 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 MCULE-4353856647 [0,0,0,0,0,0|0,0,1]=1 25 B15R2.5 N#CSCCC1=CNC2=C1C=CC=C2 MCULE-3179312754 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.5 N#N=NCCC1=CNC2=C1C=CC=C2 MCULE-3761251765 [1,0,0,0,0,0|3,0,0]=4 27 B15R2.5 NCCCCC1=CNC2=C1C=CC=C2 MCULE-6711010140 [1,0,0,0,0,0|1,0,1]=3 28 B15R2.5 O=CNCCC1=CNC2=C1C=CC=C2 MCULE-2222832478 [1,0,0,0,0,0|1,0,0]=2 29 B15R2.5 O=CNCCC1=COC2=C1C=CC=C2 MCULE-6735163920 [1,0,0,0,0,0|2,0,0]=3 30 B15R2.5 OCCCCN1C=CC2=CC=CC=C12 MCULE-8242468983 [1,0,0,0,0,0|2,0,1]=4 31 B17R2.4 C=CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4792628649 [0,1,0,0,0,0|2,0,0]=3 32 B17R2.4 CCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9497470499 [0,1,0,0,0,0|2,0,0]=3 33 B17R2.4 CNC(=O)NCCC1=CNC2=NC=CC=C12 MCULE-8243894185 [0,1,0,0,0,0|3,0,0]=4 34 B17R2.4 CNC(=S)NCCC1=CNC2=C1C=CC=C2 MCULE-4645011852 [0,1,0,0,0,0|2,1,0]=4 35 B17R2.4 COC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-3786832869 [0,1,0,0,0,0|0,0,0]=1 36 B17R2.4 COC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-5458659698 [0,1,0,0,0,0|1,0,0]=2 37 B17R2.4 COC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3403317723 [0,1,0,0,0,0|2,0,1]=4 38 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-1113251537 [0,1,0,0,0,0|2,0,0]=3 39 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4950900726 [0,1,0,0,0,0|2,0,0]=3 40 B17R2.4 O=C(CCl)NCCC1=CNC2=C1C=CC=C2 MCULE-6387956078 [0,1,0,0,0,0|2,0,0]=3 41 B17R2.4 O=C(CO)NN=CC1=CNC2=CC=CC=C12 MCULE-9280058455 [0,1,0,0,0,0|2,0,1]=4 42 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [0,1,0,0,0,0|0,0,0]=1 43 B17R2.39 CC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-3550791751 [0,1,0,0,0,0|2,0,0]=3 44 B17R2.39 CC(CC1=CNC2=C1C=CC=C2)NC(=O)N MCULE-7752352556 [0,1,0,0,0,0|2,0,0]=3 45 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [0,1,0,0,0,0|0,0,0]=1 46 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [0,1,0,0,0,0|0,0,0]=1 47 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-5115224173 [0,1,0,0,0,0|1,0,0]=2 48 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-9379962356 [0,1,0,0,0,0|1,0,0]=2 49 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [0,1,0,0,0,0|0,0,0]=1 50 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [0,1,0,0,0,0|0,0,0]=1 51 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [0,1,0,0,0,0|0,0,0]=1 52 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [0,1,0,0,0,0|0,0,0]=1 53 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-2867145195 [0,1,0,0,0,0|1,0,0]=2 54 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-6646879167 [0,1,0,0,0,0|1,0,0]=2 55 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3636493320 [0,1,0,0,0,0|1,0,0]=2 56 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-7630794072 [0,1,0,0,0,0|1,0,0]=2 57 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [0,1,0,0,0,0|0,0,0]=1 58 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [0,1,0,0,0,0|0,0,0]=1 59 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [0,1,0,0,0,0|0,0,0]=1 60 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [0,1,0,0,0,0|0,0,0]=1 61 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-1597107796 [0,1,0,0,0,0|1,0,0]=2 62 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-3864990170 [0,1,0,0,0,0|1,0,0]=2 63 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3053632532 [0,1,0,0,0,0|1,0,0]=2 64 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-4953969691 [0,1,0,0,0,0|1,0,0]=2 65 B17R2.877 CC(=O)NCC(O)C1=CNC2=C1C=CC=C2 MCULE-6719748377 [0,1,0,0,0,0|2,0,0]=3 66 B17R2.877 CC(=O)OCC(=O)C1=CNC2=C1C=CC=C2 MCULE-3203276983 [0,1,0,0,0,0|2,0,1]=4 67 B17R2.877 CC(C)CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-6239858203 [0,1,0,0,0,0|2,0,1]=4 68 B17R2.877 CC(C)CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-8708442943 [0,1,0,0,0,0|2,0,1]=4 69 B17R2.877 CC(C)CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6429518375 [0,1,0,0,0,0|2,0,1]=4 70 B17R2.877 CC(C)CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6837423949 [0,1,0,0,0,0|2,0,1]=4 71 B17R2.877 O=C(O)CCC(=O)C1=CNC2=C1C=CC=C2 MCULE-5888343819 [0,1,0,0,0,0|0,0,1]=2 72 B17R2.877 O=C(O)CCC(=O)C1=CSC2=C1C=CC=C2 MCULE-6969818889 [0,1,0,0,0,0|1,0,1]=3 73 B17R2.877 O=C(O)CCC(=O)C1CNC2=C1C=CC=C2 MCULE-5987271116 [0,1,0,0,0,0|0,0,3]=4 74 B17R2.877 O=C(O)CCC(=O)N1C=CC2=CC=CC=C12 MCULE-8491647836 [0,1,0,0,0,0|2,0,1]=4 75 B17R2.877 O=C(O)CCC(=O)N1C=NC2=CC=CC=C12 MCULE-2149007089 [0,1,0,0,0,0|1,0,2]=4 76 B17R2.877 O=C(O)CNC(=O)C1=NNC2=CC=CC=C12 MCULE-7676644066 [0,1,0,0,0,0|2,0,1]=4 77 B17R2.3451 O=C(O)CCCN1C=CC2=C1C=CC(=C2)Cl MCULE-3439712326 [0,1,0,0,0,0|2,0,0]=3 78 B17R2.3451 O=C(O)CCCN1CCC2=C1C=CC(=C2)Br MCULE-2844818164 [0,1,0,0,0,0|2,0,1]=4 79 B17R2.5025 CC(=O)NCCC1=C(NC2=C1C=CC=C2)Br MCULE-2178569993 [0,1,0,0,0,0|2,0,0]=3 80 B17R2.5025 CC(=O)NCCC1=C(NC2=CC=CC=C12)C MCULE-1737840553 [0,1,0,0,0,0|2,0,0]=3 81 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)CCNC(=O)N MCULE-6692108952 [0,1,0,0,0,0|2,0,0]=3 82 B17R2.5025 CC1=NC2=CC=CC=C2N1CCCC(=O)O MCULE-9839413543 [0,1,0,0,0,0|1,0,1]=3 83 B17R2.5025 NC(=O)CNC=C1C(=O)NC2=C1C=CC=C2 MCULE-3891723129 [0,1,0,0,0,0|2,0,1]=4 84 B17R2.5025 O=C(O)CCCC1=C(NC2=C1C=CC=C2)Br MCULE-9724123135 [0,1,0,0,0,0|0,0,0]=1 85 B17R2.5025 O=C(O)CCCC1C(=O)NC2=C1C=CC=C2 MCULE-4525802423 [0,1,0,0,0,0|0,0,1]=2 86 B17R2.5025 O=C(O)CCCN1C(=O)CC2=CC=CC=C12 MCULE-6709322130 [0,1,0,0,0,0|2,0,0]=3 87 B17R2.5025 O=C(O)CCCN1C(=O)NC2=C1C=CC=C2 MCULE-8350839646 [0,1,0,0,0,0|1,0,0]=2 88 B17R2.5025 O=C(O)CCCN1C(=O)OC2=CC=CC=C12 MCULE-9392692147 [0,1,0,0,0,0|2,0,0]=3 89 B17R2.5025 O=C(O)CCCN1C2=CC=CC=C2N=C1S MCULE-1088628004 [0,1,0,0,0,0|1,0,1]=3 90 B17R2.5025 O=C(O)CNC=C1C(=O)NC2=C1C=CC=C2 MCULE-4873109849 [0,1,0,0,0,0|1,0,1]=3 91 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [0,1,0,0,0,0|2,0,0]=3 92 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F MCULE-9702651152 [0,1,0,0,0,0|2,0,0]=3 93 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N MCULE-6046660193 [0,1,0,0,0,0|2,0,0]=3 94 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [0,1,0,0,0,0|2,0,0]=3 95 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [0,1,0,0,0,0|2,0,0]=3 96 B17R2.25462 NC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-7766562592 [0,1,0,0,0,0|2,0,0]=3 97 B17R2.25462 O=C(O)CCCC1=CNC2=C1C=C(C=C2)F MCULE-2981152241 [0,1,0,0,0,0|0,0,0]=1 98 B17R2.25462 O=C(O)CCCC1=CNC2=CC=C(C=C12)Br MCULE-8939612998 [0,1,0,0,0,0|0,0,0]=1 99 B17R2.78537 CN1C=C(C2=C1C=CC=C2)CCCC(=O)O MCULE-6734730678 [0,1,0,0,0,0|0,0,0]=1 100 B15R1.84 COC1=C(C=CC=C1)OCCCC(=O)O MCULE-4059411746 [0,0,1,0,0,0|2,0,1]=4 101 B15R1.84 O=CC1=CC=CC=C1OCCCC(=O)O MCULE-2133280645 [0,0,1,0,0,0|3,0,0]=4 102 B15R1.504 O=C(O)CCCCCCC1=CC=CC=C1 MCULE-3219728847 [0,0,1,0,0,0|1,0,2]=4 103 B15R1.504 O=C(O)CCCCCOC1=CC=CC=C1 MCULE-6971687371 [0,0,1,0,0,0|1,0,2]=4 104 B15R1.504 O=C(O)CCCCCSC1=CC=CC=C1 MCULE-3108125303 [0,0,1,0,0,0|1,0,2]=4 105 B15R1.504 O=C(O)CCCCNCC1=CC=CC=C1 MCULE-2774838019 [0,0,1,0,0,0|2,0,1]=4 106 B15R1.504 O=C(O)CCCCNCC1=CC=CC=C1 MCULE-8874369109 [0,0,1,0,0,0|2,0,1]=4 107 B15R1.504 O=C(O)CCCCOCC1=CC=CC=C1 MCULE-2320055854 [0,0,1,0,0,0|2,0,1]=4 108 B15R1.504 O=C(O)CCCNCCC1=CC=CC=C1 MCULE-4744467347 [0,0,1,0,0,0|2,0,1]=4 109 B15R1.504 O=C(O)CCCNCCC1=CC=CC=C1 MCULE-4819633806 [0,0,1,0,0,0|2,0,1]=4 110 B15R1.504 O=C(O)CCCNOCC1=CC=CC=C1 MCULE-4001331619 [0,0,1,0,0,0|3,0,0]=4 111 B15R1.504 O=C(O)CCCNOCC1=CC=CC=C1 MCULE-9518930800 [0,0,1,0,0,0|3,0,0]=4 112 B15R1.504 O=C(O)CCCOCCC1=CC=CC=C1 MCULE-5130655232 [0,0,1,0,0,0|2,0,1]=4 113 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-5177066965 [0,0,1,0,0,0|2,0,1]=4 114 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-9569139312 [0,0,1,0,0,0|2,0,1]=4 115 B15R1.5331 O=C(O)CCCC(=NO)C1=CN=CC=C1 MCULE-4305706456 [0,0,1,0,0,0|3,0,0]=4 116 B15R1.8019 CC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-8627095197 [0,0,1,0,0,0|2,0,0]=3 117 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2620024877 [0,0,1,0,0,0|3,0,0]=4 118 B15R1.8019 CC1=CC=CC=C1C(=O)CSCC(=O)O MCULE-4379850028 [0,0,1,0,0,0|3,0,0]=4 119 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N MCULE-5824849409 [0,0,1,0,0,0|3,0,0]=4 120 B15R1.8019 NC1=C(C=CC=C1)C(=O)NCCC(=O)O MCULE-2778673340 [0,0,1,0,0,0|2,0,0]=3 121 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Br MCULE-6254117035 [0,0,1,0,0,0|2,0,0]=3 122 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)Cl MCULE-3103349432 [0,0,1,0,0,0|2,0,0]=3 123 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)F MCULE-9757131659 [0,0,1,0,0,0|2,0,0]=3 124 B15R1.8019 O=C(O)CCCC(=O)C1=C(C=CC=C1)I MCULE-1920834995 [0,0,1,0,0,0|2,0,0]=3 125 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Br MCULE-3840784923 [0,0,1,0,0,0|3,0,0]=4 126 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F MCULE-2285078721 [0,0,1,0,0,0|3,0,0]=4 127 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)O MCULE-9964432323 [0,0,1,0,0,0|3,0,0]=4 128 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1Cl MCULE-5544728437 [0,0,1,0,0,0|3,0,0]=4 129 B17R3.26 O=C1CC(CN1)C2=CNC3=C2C=CC=C3 MCULE-8314344011 [0,0,0,1,0,0|2,0,0]=3 130 B17R3.26 O=C1NC[C@@H](N1)C2=CNC3=CC=CC=C23 MCULE-3640424239 [0,0,0,1,0,0|2,0,0]=3 131 B17R3.26 O=C1NC[C@@H](N1)C2=CSC3=C2C=CC=C3 MCULE-4955084412 [0,0,0,1,0,0|3,0,0]=4 132 B17R3.26 O=C1NC[C@H](N1)C2=CNC3=CC=CC=C23 MCULE-8662242760 [0,0,0,1,0,0|2,0,0]=3 133 B17R3.26 O=C1NC[C@H](N1)C2=CSC3=C2C=CC=C3 MCULE-9689252060 [0,0,0,1,0,0|3,0,0]=4 134 B17R3.26 O=C1N[C@@H](CO1)C2=CNC3=CC=CC=C23 MCULE-7032320007 [0,0,0,1,0,0|2,0,0]=3 135 B17R3.26 O=C1N[C@@H](CO1)C2=CSC3=C2C=CC=C3 MCULE-9348062516 [0,0,0,1,0,0|3,0,0]=4 136 B17R3.26 O=C1N[C@H](CO1)C2=CNC3=CC=CC=C23 MCULE-9161144270 [0,0,0,1,0,0|2,0,0]=3 137 B17R3.26 O=C1N[C@H](CO1)C2=CSC3=C2C=CC=C3 MCULE-2716943600 [0,0,0,1,0,0|3,0,0]=4 138 B17R3.66024 O=C(O)C1=C2NC3=CC=CC=C3C2=CN1 MCULE-7872695752 [0,0,0,1,0,0|1,0,2]=4 139 B15R2.6 CC(=O)C=CC1=CNC2=CC=CC=C12 MCULE-1503677397 [0,0,0,0,1,0|1,0,2]=4 140 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [0,0,0,0,1,0|1,0,0]=2 141 B15R2.6 CC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-3225504435 [0,0,0,0,1,0|2,0,1]=4 142 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [0,0,0,0,1,0|2,0,0]=3 143 B15R2.6 CN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1451594833 [0,0,0,0,1,0|3,0,0]=4 144 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [0,0,0,0,1,0|1,0,0]=2 145 B15R2.6 NC(=O)CCN1C=CC2=CC=CC=C12 MCULE-8078725777 [0,0,0,0,1,0|3,0,0]=4 146 B15R2.6 NC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-6609412974 [0,0,0,0,1,0|2,0,1]=4 147 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [0,0,0,0,1,0|2,0,0]=3 148 B15R2.6 O=C(O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-6532813939 [0,0,0,0,1,0|0,0,2]=3 149 B15R2.6 O=C(O)/C=C\C1=CNC2=CC=CC=C12 MCULE-5749603036 [0,0,0,0,1,0|0,0,2]=3 150 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 MCULE-2676235699 [0,0,0,0,1,0|0,0,2]=3 151 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [0,0,0,0,1,0|0,0,0]=1 152 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [0,0,0,0,1,0|1,0,0]=2 153 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [0,0,0,0,1,0|1,0,0]=2 154 B15R2.6 O=C(O)CCC1=NC=C2N1C=CC=C2 MCULE-9041931475 [0,0,0,0,1,0|3,0,0]=4 155 B15R2.6 O=C(O)CCC1=NN=C2N1C=CC=C2 MCULE-2094905254 [0,0,0,0,1,0|2,0,1]=4 156 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MCULE-2665228438 [0,0,0,0,1,0|2,0,0]=3 157 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 MCULE-6766064162 [0,0,0,0,1,0|1,0,2]=4 158 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [0,0,0,0,1,0|0,0,2]=3 159 B15R2.6 O=C(O)CCC1N=CC2=CC=CC=C12 MCULE-9471558672 [0,0,0,0,1,0|2,0,1]=4 160 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [0,0,0,0,1,0|2,0,0]=3 161 B15R2.6 O=C(O)CCN1C=CC2=CC=CN=C12 MCULE-5269994729 [0,0,0,0,1,0|3,0,0]=4 162 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [0,0,0,0,1,0|1,0,1]=3 163 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [0,0,0,0,1,0|1,0,1]=3 164 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [0,0,0,0,1,0|1,0,1]=3 165 B15R2.6 O=C(O)CCN1CCC2=C1C=CC=C2 MCULE-1199479089 [0,0,0,0,1,0|2,0,1]=4 166 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 MCULE-4830644797 [0,0,0,0,1,0|3,0,0]=4 167 B15R2.6 O=C(O)CCN1N=NC2=C1C=CC=C2 MCULE-8188700361 [0,0,0,0,1,0|2,0,1]=4 168 B15R2.6 O=C(O)CNC1=NCC2=C1C=CC=C2 MCULE-9135692160 [0,0,0,0,1,0|3,0,0]=4 169 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [0,0,0,0,1,0|2,0,0]=3 170 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [0,0,0,0,1,0|1,0,0]=2 171 B15R2.6 O=C([O-])C=CC1=CNC2=CC=CC=C12 MCULE-2887903829 [0,0,0,0,1,0|0,0,3]=4 172 B17R2.137 NC(=O)CCSCC1=CNC2=CC=CC=C12 MCULE-1693128182 [0,0,0,0,0,1|1,0,0]=2 173 B17R2.137 O=C(O)CCCCC1=CNC2=C1C=CC=C2 MCULE-5436372444 [0,0,0,0,0,1|0,0,0]=1 174 B17R2.137 O=C(O)CCCSC1=CNC2=C1C=CC=C2 MCULE-1812397387 [0,0,0,0,0,1|0,0,0]=1 175 B17R2.137 O=C(O)CCSCC1=CNC2=CC=CC=C12 MCULE-7956059624 [0,0,0,0,0,1|0,0,0]=1 176 B17R2.5669 CC(=O)NCCC1=CC2=C(C=CC=C2)C=C1 MCULE-6018618045 [0,0,0,0,0,1|3,0,0]=4 177 B17R2.5669 O=C(O)CCCC1=CC2=CC=CC=C2C=C1 MCULE-4630954685 [0,0,0,0,0,1|1,0,0]=2 178 B17R2.5669 O=C(O)CCCC1=NC2=NC=CC=C2C=C1 MCULE-5430991170 [0,0,0,0,0,1|2,0,0]=3 179 B17R2.5669 O=C(O)CCCN1CCC2=C(C1)C=CC=C2 MCULE-9370709710 [0,0,0,0,0,1|2,0,1]=4 180 B17R2.5669 O=C(O)CCOC1=CC2=C(C=CC=C2)C=C1 MCULE-1369882803 [0,0,0,0,0,1|2,0,0]=3 181 B17R2.5669 O=C(O)CCSC1=CC2=CC=CC=C2C=C1 MCULE-5256039383 [0,0,0,0,0,1|2,0,0]=3 182 B17R2.5669 O=C(O)CCSC1=NC2=C(C=CC=C2)C=C1 MCULE-6014436402 [0,0,0,0,0,1|2,0,0]=3 183 B17R2.5669 O=C(O)CCSC1=NC2=CC=CC=C2N=C1 MCULE-8192555573 [0,0,0,0,0,1|1,0,1]=3 184 B17R2.5669 O=C([O-])CCSC1=NC2=C(C=CC=C2)C=C1 MCULE-5316836081 [0,0,0,0,0,1|2,0,1]=4 185 B17R2.291558 C=C(C)CCCC1=CC=CC2=CC=CC=C12 MCULE-7142764762 [0,0,0,0,0,1|3,0,0]=4 186 B17R2.291558 O=C(O)CCCC1=C2C=CC=CC2=CC=C1 MCULE-8333010495 [0,0,0,0,0,1|1,0,0]=2 187 B17R2.291558 O=C(O)CCNC1=NC=NC2=CC=CC=C12 MCULE-2862944369 [0,0,0,0,0,1|1,0,1]=3 188 B17R2.291558 O=C(O)CCOC1=C2C=CC=CC2=CC=C1 MCULE-9148487789 [0,0,0,0,0,1|2,0,0]=3 189 B17R2.291558 O=C(O)CCSC1=C2C=CC=CC2=NC=N1 MCULE-5441461072 [0,0,0,0,0,1|1,0,1]=3 190 B17R2.291558 O=C(O)CCSC1=CC=CC2=C1C=CC=C2 MCULE-5693432022 [0,0,0,0,0,1|2,0,0]=3 191 B17R2.291558 O=C(O)CC[NH2+]C1=NC=NC2=CC=CC=C12 MCULE-5200901209 [0,0,0,0,0,1|1,0,1]=3 192 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-7691053249 [0,0,0,0,0,1|2,0,0]=3 193 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-8631815589 [0,0,0,0,0,1|2,0,0]=3 194 B17R2.291558 O=C(O)CNCC1=NC=CC2=C1C=CC=C2 MCULE-6052705912 [0,0,0,0,0,1|2,0,0]=3 195 B17R2.291558 O=C(O)CSCC1=C2C=CC=CC2=CC=C1 MCULE-9828528035 [0,0,0,0,0,1|2,0,0]=3 196 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)O MCULE-9756126204 [1,0,1,0,0,0|1,0,1]=4 197 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Br MCULE-3558997820 [1,0,1,0,0,0|2,0,0]=4 198 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl MCULE-1534741120 [1,0,1,0,0,0|2,0,0]=4 199 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)F MCULE-1463694703 [1,0,1,0,0,0|2,0,0]=4 200 B14R1.159 O=C(O)CCCSC1=C(C=CC=C1)Br MCULE-5979553325 [1,0,1,0,0,0|2,0,0]=4 201 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 MCULE-3355590561 [1,0,1,0,0,0|0,0,0]=2 202 B14R1.420 CC(CCCC(=O)O)C1=CC=CC=C1 MCULE-7532695944 [1,0,1,0,0,0|0,0,2]=4 203 B14R1.420 CN(CCCC(=O)O)C1=CC=CC=C1 MCULE-2847041735 [1,0,1,0,0,0|1,0,1]=4 204 B14R1.420 NC(=O)CCCC(=O)C1=CC=CC=C1 MCULE-9094711769 [1,0,1,0,0,0|2,0,0]=4 205 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-2511685381 [1,0,1,0,0,0|0,0,1]=3 206 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-3268292691 [1,0,1,0,0,0|0,0,1]=3 207 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-4083411228 [1,0,1,0,0,0|0,0,1]=3 208 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-6742004481 [1,0,1,0,0,0|0,0,1]=3 209 B14R1.420 NC(CCCC(=O)O)C1=NC=CC=C1 MCULE-5518450984 [1,0,1,0,0,0|1,0,1]=4 210 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-1095590446 [1,0,1,0,0,0|0,0,1]=3 211 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-5504214390 [1,0,1,0,0,0|0,0,1]=3 212 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9472436551 [1,0,1,0,0,0|0,0,1]=3 213 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9528661588 [1,0,1,0,0,0|0,0,1]=3 214 B14R1.420 O=C(Cl)CCCC(=O)C1=CC=CC=C1 MCULE-9199007250 [1,0,1,0,0,0|2,0,0]=4 215 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MCULE-1720844080 [1,0,1,0,0,0|1,0,0]=3 216 B14R1.420 O=C(O)CCCC(=O)C1=CC=NC=C1 MCULE-4835033895 [1,0,1,0,0,0|2,0,0]=4 217 B14R1.420 O=C(O)CCCC(=O)C1=CN=CC=C1 MCULE-3407445136 [1,0,1,0,0,0|2,0,0]=4 218 B14R1.420 O=C(O)CCCC(=O)C1=NC=CC=C1 MCULE-4142030534 [1,0,1,0,0,0|2,0,0]=4 219 B14R1.420 O=C(O)CCCC(O)C1=CC=CC=C1 MCULE-9363545821 [1,0,1,0,0,0|1,0,1]=4 220 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 MCULE-7715802662 [1,0,1,0,0,0|2,0,0]=4 221 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 MCULE-1333438402 [1,0,1,0,0,0|2,0,0]=4 222 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 MCULE-4097971327 [2,0,0,0,0,0|1,0,1]=4 223 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 MCULE-9425269407 [2,0,0,0,0,0|1,0,1]=4 224 B14R2.3 N#CCCC1=CNC2=CC=CC=C12 MCULE-9844349638 [2,0,0,0,0,0|1,0,1]=4 225 B14R2.3 NCCCC1=CNC2=C1C=CC=N2 MCULE-6962821583 [2,0,0,0,0,0|2,0,0]=4 226 B14R2.3 NCCCC1=CNC2=CC=CC=C12 MCULE-4742640218 [2,0,0,0,0,0|1,0,0]=3 227 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 MCULE-5852531217 [2,0,0,0,0,0|2,0,0]=4 228 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 MCULE-6122840857 [2,0,0,0,0,0|2,0,0]=4 229 B14R2.3 NNCCC1=CNC2=CC=CC=C12 MCULE-3881420803 [2,0,0,0,0,0|2,0,0]=4 230 B14R2.3 O=CCCC1=CNC2=CC=CC=C12 MCULE-6631491514 [2,0,0,0,0,0|0,0,0]=2 231 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 MCULE-2483523215 [2,0,0,0,0,0|0,0,0]=2 232 B14R2.3 OCCCN1C=NC2=CC=CC=C12 MCULE-6116225258 [2,0,0,0,0,0|1,0,1]=4 233 B14R2.3 ON=CCC1=CNC2=C1C=CC=C2 MCULE-2984317759 [2,0,0,0,0,0|1,0,1]=4 234 B14R2.3 OOCCC1=CNC2=CC=CC=C12 MCULE-6615259809 [2,0,0,0,0,0|1,0,0]=3 235 B16R1.18704 CCC1=CC=CC=C1C(=O)CCCC(=O)O MCULE-1653566703 [0,1,1,0,0,0|1,0,1]=4 236 B16R1.18704 COC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-3923837522 [0,1,1,0,0,0|1,0,1]=4 237 B16R1.18704 CSC1=C(C=CC=C1)C(=O)CCCC(=O)O MCULE-3682388645 [0,1,1,0,0,0|1,0,1]=4 238 B16R1.608 O=C(O)CCCC(=O)CCC1=CC=CC=C1 MCULE-4747405422 [0,1,1,0,0,0|1,0,1]=4 239 B16R1.608 O=C(O)CCCC(=O)NCC1=CC=CC=C1 MCULE-8515493875 [0,1,1,0,0,0|2,0,0]=4 240 B16R1.608 O=C(O)CCCC(=O)OCC1=CC=CC=C1 MCULE-5269269122 [0,1,1,0,0,0|2,0,0]=4 241 B16R1.608 O=C(O)CCNC(=O)C=CC1=CC=CC=C1 MCULE-5576632337 [0,1,1,0,0,0|2,0,0]=4 242 B16R1.610 O=C(O)CCCNC(=O)CC1=CC=CC=C1 MCULE-6207991084 [0,1,1,0,0,0|2,0,0]=4 243 B16R1.610 O=C(O)CCCNC(=O)NC1=CC=CC=C1 MCULE-8719308403 [0,1,1,0,0,0|1,0,0]=3 244 B16R1.610 O=C(O)CCCNC(=S)NC1=CC=CC=C1 MCULE-2787543224 [0,1,1,0,0,0|1,0,0]=3 245 B16R1.12528 O=C(O)CCCC(C(=O)O)C1=CC=CC=C1 MCULE-6253083189 [0,1,1,0,0,0|1,0,1]=4 246 B16R1.7437 CC1=C(C=CC=C1)C(=O)CC(C)CC(=O)O MCULE-6978519012 [0,1,1,0,0,0|2,0,0]=4 247 B16R1.7492 CC1=CC(=C(C=C1)C)C(=O)CCCC(=O)O MCULE-7849690423 [0,1,1,0,0,0|2,0,0]=4 248 B16R1.7492 CC1=CC(=C(C=C1)O)C(=O)CCCC(=O)O MCULE-9021203440 [0,1,1,0,0,0|2,0,0]=4 249 B16R1.7492 CC1=CC=C(C=C1C(=O)CCCC(=O)O)Cl MCULE-4524339154 [0,1,1,0,0,0|2,0,0]=4 250 B16R1.7492 CC1=CC=C(C=C1C(=O)CCCC(=O)O)F MCULE-7492088659 [0,1,1,0,0,0|2,0,0]=4 251 B16R1.7492 O=C(O)CCCC(=O)C1=C(C=CC(=C1)Cl)Cl MCULE-3271149415 [0,1,1,0,0,0|2,0,0]=4 252 B16R1.7492 O=C(O)CCCC(=O)C1=C(C=CC(=C1)F)F MCULE-3580693178 [0,1,1,0,0,0|2,0,0]=4 253 B16R1.11264 CC1=C(C=CC=C1C(=O)CCCC(=O)O)Cl MCULE-6100546792 [0,1,1,0,0,0|2,0,0]=4 254 B16R1.11264 CC1=C(C=CC=C1F)C(=O)CCCC(=O)O MCULE-5780373438 [0,1,1,0,0,0|2,0,0]=4 255 B16R1.11264 CC1=CC=CC(=C1C)C(=O)CCCC(=O)O MCULE-4057580321 [0,1,1,0,0,0|2,0,0]=4 256 B16R1.11264 O=C(O)CCCC(=O)C1=C(C(=CC=C1)Cl)Cl MCULE-6327792370 [0,1,1,0,0,0|2,0,0]=4 257 B16R1.11264 O=C(O)CCCC(=O)C1=C(C(=CC=C1)F)F MCULE-7014660995 [0,1,1,0,0,0|2,0,0]=4 258 B16R1.11442 CC1=C(C=CC(=C1)Br)C(=O)CCCC(=O)O MCULE-5622726754 [0,1,1,0,0,0|2,0,0]=4 259 B16R1.11442 CC1=C(C=CC(=C1)Cl)C(=O)CCCC(=O)O MCULE-8188604571 [0,1,1,0,0,0|2,0,0]=4 260 B16R1.11442 CC1=CC(=C(C=C1)C(=O)CCCC(=O)O)C MCULE-5762954754 [0,1,1,0,0,0|2,0,0]=4 261 B16R1.11442 CC1=CC(=CC=C1C(=O)CCCC(=O)O)F MCULE-7891630075 [0,1,1,0,0,0|2,0,0]=4 262 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)Cl)Cl MCULE-1286808441 [0,1,1,0,0,0|2,0,0]=4 263 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)Cl)F MCULE-1542841203 [0,1,1,0,0,0|2,0,0]=4 264 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)F)Cl MCULE-8856327001 [0,1,1,0,0,0|2,0,0]=4 265 B16R1.11442 O=C(O)CCCC(=O)C1=C(C=C(C=C1)F)F MCULE-3334440518 [0,1,1,0,0,0|2,0,0]=4 266 B16R1.16971 COC(=O)CCCC(=O)C1=C(C=CC=C1)C MCULE-8448050255 [0,1,1,0,0,0|2,0,0]=4 267 B16R1.16971 COC(=O)CCCC(=O)C1=CC=CC=C1Cl MCULE-4327337339 [0,1,1,0,0,0|2,0,0]=4 268 B16R1.16971 COC(=O)CCCC(=O)C1=CC=CC=C1F MCULE-1329278470 [0,1,1,0,0,0|2,0,0]=4 269 B16R1.44936 O=C(O)CCCC(=O)C1=C(C=CC=C1F)Cl MCULE-4396773327 [0,1,1,0,0,0|2,0,0]=4 270 B16R1.44936 O=C(O)CCCC(=O)C1=C(C=CC=C1F)F MCULE-1640919272 [0,1,1,0,0,0|2,0,0]=4 271 B16R2.5 CNC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1587513374 [1,1,0,0,0,0|2,0,0]=4 272 B16R2.6 CCNCCCC1=CNC2=CC=CC=C12 MCULE-9737766404 [1,1,0,0,0,0|1,0,1]=4 273 B16R2.6 OCCNCCC1=CNC2=C1C=CC=C2 MCULE-1414025281 [1,1,0,0,0,0|0,0,1]=3 274 B16R2.6 OCCNCCC1=CNC2=C1C=CC=C2 MCULE-2573265529 [1,1,0,0,0,0|0,0,1]=3 275 B16R2.14 CC(=NO)CCC1=CNC2=C1C=CC=C2 MCULE-4117218273 [1,1,0,0,0,0|1,0,1]=4 276 B16R2.14 C[C@@H](CO)CCC1=CNC2=C1C=CC=C2 MCULE-7278157577 [1,1,0,0,0,0|0,0,1]=3 277 B16R2.14 C[C@@H](CO)CCC1=CNC2=CC=CC=C12 MCULE-1570166301 [1,1,0,0,0,0|0,0,1]=3 278 B16R2.37 C=CCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3401850900 [1,1,0,0,0,0|1,0,0]=3 279 B16R2.37 C=CCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-9456030023 [1,1,0,0,0,0|1,0,0]=3 280 B16R2.37 C=CCC[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-4655964991 [1,1,0,0,0,0|2,0,0]=4 281 B16R2.37 C=CCC[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-5016603152 [1,1,0,0,0,0|2,0,0]=4 282 B16R2.37 C=CCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1107112017 [1,1,0,0,0,0|1,0,0]=3 283 B16R2.37 C=CCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1720383565 [1,1,0,0,0,0|1,0,0]=3 284 B16R2.37 C=CCC[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-6551892609 [1,1,0,0,0,0|2,0,0]=4 285 B16R2.37 C=CCC[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-7870624929 [1,1,0,0,0,0|2,0,0]=4 286 B16R2.37 CCCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3248209184 [1,1,0,0,0,0|1,0,1]=4 287 B16R2.37 CCCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3378230887 [1,1,0,0,0,0|1,0,1]=4 288 B16R2.37 CCCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-2095854067 [1,1,0,0,0,0|1,0,1]=4 289 B16R2.37 CCCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-2990654467 [1,1,0,0,0,0|1,0,1]=4 290 B16R2.37 NCCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-5198708949 [1,1,0,0,0,0|1,0,1]=4 291 B16R2.37 NCCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-8572412011 [1,1,0,0,0,0|1,0,1]=4 292 B16R2.37 NCCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-3071703787 [1,1,0,0,0,0|1,0,1]=4 293 B16R2.37 NCCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6733919309 [1,1,0,0,0,0|1,0,1]=4 294 B16R2.37 N[C@@H](CCCO)C1=CNC2=CC=CC=C12 MCULE-1890880042 [1,1,0,0,0,0|0,0,1]=3 295 B16R2.37 N[C@@H](CCCO)C1=CNC2=CC=CC=C12 MCULE-5551545744 [1,1,0,0,0,0|0,0,1]=3 296 B16R2.37 N[C@@H](CCCO)C1=CSC2=C1C=CC=C2 MCULE-3821108592 [1,1,0,0,0,0|1,0,1]=4 297 B16R2.37 N[C@@H](CCCO)C1=CSC2=C1C=CC=C2 MCULE-4681863051 [1,1,0,0,0,0|1,0,1]=4 298 B16R2.37 N[C@H](CCCO)C1=CNC2=CC=CC=C12 MCULE-5210745312 [1,1,0,0,0,0|0,0,1]=3 299 B16R2.37 N[C@H](CCCO)C1=CNC2=CC=CC=C12 MCULE-7303482045 [1,1,0,0,0,0|0,0,1]=3 300 B16R2.37 N[C@H](CCCO)C1=CSC2=C1C=CC=C2 MCULE-1104820689 [1,1,0,0,0,0|1,0,1]=4 301 B16R2.37 N[C@H](CCCO)C1=CSC2=C1C=CC=C2 MCULE-9071002454 [1,1,0,0,0,0|1,0,1]=4 302 B16R2.6335 O=C1NC2=C(C1CCCCO)C=CC=C2 MCULE-3076698703 [1,1,0,0,0,0|0,0,2]=4 303 B16R2.205493 ClCCCCC1=CNC2=C1C=C(C=C2)Br MCULE-5803154340 [1,1,0,0,0,0|1,0,1]=4 304 B16R2.205493 OCCCCC1=CNC2=C1C=C(C=C2)F MCULE-5985183763 [1,1,0,0,0,0|0,0,1]=3 305 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,1,0,0,1,0|0,0,0]=2 306 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,1,0,0,1,0|1,0,0]=3 307 B16R2.12 CC(=CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-9019172119 [0,1,0,0,1,0|0,0,2]=4 308 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,1,0,0,1,0|0,0,0]=2 309 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O MCULE-5926856922 [0,1,0,0,1,0|2,0,0]=4 310 B16R2.12 CC(CN1C=NC2=CC=CC=C12)C(=O)O MCULE-3505705922 [0,1,0,0,1,0|1,0,1]=4 311 B16R2.12 CC(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-5963536990 [0,1,0,0,1,0|1,0,1]=4 312 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,1,0,0,1,0|1,0,0]=3 313 B16R2.12 C[C@H](NC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3072834173 [0,1,0,0,1,0|2,0,0]=4 314 B16R2.12 C[C@H](NC1=CSC2=CC=CC=C12)C(=O)O MCULE-4939358545 [0,1,0,0,1,0|2,0,0]=4 315 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,1,0,0,1,0|1,0,0]=3 316 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,1,0,0,1,0|1,0,0]=3 317 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,1,0,0,1,0|1,0,0]=3 318 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,1,0,0,1,0|1,0,0]=3 319 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,1,0,0,1,0|1,0,0]=3 320 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,1,0,0,1,0|1,0,0]=3 321 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,1,0,0,1,0|1,0,0]=3 322 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,1,0,0,1,0|0,0,0]=2 323 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,1,0,0,1,0|1,0,0]=3 324 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,1,0,0,1,0|1,0,0]=3 325 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,1,0,0,1,0|1,0,0]=3 326 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O MCULE-9264840769 [0,1,0,0,1,0|2,0,0]=4 327 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,1,0,0,1,0|1,0,0]=3 328 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,1,0,0,1,0|1,0,0]=3 329 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,1,0,0,1,0|1,0,0]=3 330 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,1,0,0,1,0|1,0,0]=3 331 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O MCULE-5808639127 [0,1,0,0,1,0|1,0,1]=4 332 B16R2.12 N[C@@H](CC1=C2C=CNC=C2N=C1)C(=O)O MCULE-7476750105 [0,1,0,0,1,0|1,0,1]=4 333 B16R2.12 N[C@@H](CC1=C2NC=CC=C2N=C1)C(=O)O MCULE-9698297023 [0,1,0,0,1,0|1,0,1]=4 334 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,1,0,0,1,0|0,0,0]=2 335 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,1,0,0,1,0|0,0,0]=2 336 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,1,0,0,1,0|1,0,0]=3 337 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,1,0,0,1,0|1,0,0]=3 338 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,1,0,0,1,0|1,0,0]=3 339 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,1,0,0,1,0|1,0,0]=3 340 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,1,0,0,1,0|1,0,0]=3 341 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,1,0,0,1,0|1,0,0]=3 342 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,1,0,0,1,0|1,0,0]=3 343 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,1,0,0,1,0|1,0,0]=3 344 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,1,0,0,1,0|1,0,0]=3 345 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,1,0,0,1,0|1,0,0]=3 346 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,1,0,0,1,0|0,0,0]=2 347 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,1,0,0,1,0|1,0,0]=3 348 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,1,0,0,1,0|0,0,0]=2 349 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,1,0,0,1,0|0,0,0]=2 350 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,1,0,0,1,0|1,0,0]=3 351 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,1,0,0,1,0|1,0,0]=3 352 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,1,0,0,1,0|1,0,0]=3 353 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,1,0,0,1,0|1,0,0]=3 354 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,1,0,0,1,0|1,0,0]=3 355 B16R2.12 O=C(O)C(=CC1=CNC2=CC=CC=C12)S MCULE-5398915682 [0,1,0,0,1,0|0,0,2]=4 356 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,1,0,0,1,0|0,0,1]=3 357 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,1,0,0,1,0|0,0,0]=2 358 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,1,0,0,1,0|0,0,0]=2 359 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3165794084 [0,1,0,0,1,0|2,0,0]=4 360 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-4423247369 [0,1,0,0,1,0|2,0,0]=4 361 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1451859789 [0,1,0,0,1,0|2,0,0]=4 362 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1911385013 [0,1,0,0,1,0|2,0,0]=4 363 B16R2.520 CC(=O)CC(=O)C1=CNC2=C1C=CC=C2 MCULE-7778035018 [0,1,0,0,1,0|1,0,1]=4 364 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-1656451925 [0,1,0,0,1,0|0,0,0]=2 365 B16R2.520 CC(CC(=O)O)N1C=NC2=CC=CC=C12 MCULE-3898456673 [0,1,0,0,1,0|1,0,1]=4 366 B16R2.520 CC(CC(=O)O)N1C=NC2=CC=CC=C12 MCULE-8347136802 [0,1,0,0,1,0|1,0,1]=4 367 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2298347249 [0,1,0,0,1,0|0,0,0]=2 368 B16R2.520 N[C@@H](CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-4436493722 [0,1,0,0,1,0|0,0,0]=2 369 B16R2.2947 CN(=O)(C)CCC1=CNC2=C1C=CC=C2 MCULE-1626095060 [0,1,0,0,1,0|2,0,0]=4 370 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)/C=C/C(=O)O MCULE-7011339368 [0,1,0,0,1,0|0,0,2]=4 371 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [0,1,0,0,1,0|0,0,0]=2 372 B16R2.2976 CC1=CC=C2C(=C1)C=CN2CCC(=O)O MCULE-4103037674 [0,1,0,0,1,0|2,0,0]=4 373 B16R2.2976 CC1=CC=C2C(=CNC2=C1)C=CC(=O)O MCULE-7367748076 [0,1,0,0,1,0|0,0,2]=4 374 B16R2.2976 O=C(O)/C=C/C1=CNC2=C1C=CC(=C2)F MCULE-8415677505 [0,1,0,0,1,0|0,0,2]=4 375 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Br MCULE-7968399311 [0,1,0,0,1,0|0,0,0]=2 376 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Cl MCULE-1091258850 [0,1,0,0,1,0|0,0,0]=2 377 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)F MCULE-5084506987 [0,1,0,0,1,0|0,0,0]=2 378 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Br MCULE-5760549327 [0,1,0,0,1,0|2,0,0]=4 379 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Cl MCULE-2221739728 [0,1,0,0,1,0|2,0,0]=4 380 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)/C=C/C(=O)O MCULE-8640887132 [0,1,0,0,1,0|0,0,2]=4 381 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)N MCULE-2768308411 [0,1,0,0,1,0|1,0,0]=3 382 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)SCC(=O)O MCULE-9641494982 [0,1,0,0,1,0|1,0,0]=3 383 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CCC(=O)O MCULE-2157412879 [0,1,0,0,1,0|0,0,0]=2 384 B16R2.4003 CC1=C(C2=CC=CN=C2N1)CCC(=O)O MCULE-2514335887 [0,1,0,0,1,0|1,0,0]=3 385 B16R2.4003 CC1=C(N2C=CC=CC2=N1)CCC(=O)O MCULE-1667881835 [0,1,0,0,1,0|1,0,1]=4 386 B16R2.4003 CC1=C(N2C=CC=CC2=N1)CCC(=O)O MCULE-9365971096 [0,1,0,0,1,0|1,0,1]=4 387 B16R2.4003 CC1=CC2=CC=CC=C2N1CCC(=O)O MCULE-3165679689 [0,1,0,0,1,0|2,0,0]=4 388 B16R2.4003 CC1=NC2=C(N1CCC(=O)O)C=CC=C2 MCULE-5562608737 [0,1,0,0,1,0|1,0,1]=4 389 B16R2.4003 CC1=[N+](C2=C(O1)C=CC=C2)CCC(=O)O MCULE-3035289709 [0,1,0,0,1,0|2,0,0]=4 390 B16R2.4003 CC1=[N+](C2=C(O1)C=CC=C2)CCC(=O)O MCULE-7281871702 [0,1,0,0,1,0|2,0,0]=4 391 B16R2.4003 CC1=[N+](C2=C(S1)C=CC=C2)CCC(=O)O MCULE-2784212477 [0,1,0,0,1,0|2,0,0]=4 392 B16R2.4003 CC1=[N+](C2=C(S1)C=CC=C2)CCC(=O)O MCULE-4918973548 [0,1,0,0,1,0|2,0,0]=4 393 B16R2.4003 CC1=[NH+]C2=CC=CC=C2N1CCC(=O)O MCULE-9363304635 [0,1,0,0,1,0|1,0,1]=4 394 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [0,1,0,0,1,0|0,0,1]=3 395 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 MCULE-8426898486 [0,1,0,0,1,0|1,0,0]=3 396 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C12 MCULE-8455578801 [0,1,0,0,1,0|2,0,0]=4 397 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C12 MCULE-3913775175 [0,1,0,0,1,0|2,0,0]=4 398 B16R2.4003 O=C(O)CCN1C(=S)OC2=C1C=CC=C2 MCULE-4250403592 [0,1,0,0,1,0|2,0,0]=4 399 B16R2.4003 O=C(O)CCN1C2=CC=CC=C2N=C1S MCULE-6994052183 [0,1,0,0,1,0|1,0,1]=4 400 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [0,1,0,0,1,0|1,0,0]=3 401 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [0,1,0,0,1,0|1,0,0]=3 402 B16R2.15551 CC1=CC2=C(C=C1)NC=C2/C=C/C(=O)O MCULE-3649831392 [0,1,0,0,1,0|0,0,2]=4 403 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [0,1,0,0,1,0|1,0,0]=3 404 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [0,1,0,0,1,0|0,0,0]=2 405 B16R2.15551 O=C(O)/C=C/C1=CNC2=C1C=C(C=C2)Cl MCULE-8006257909 [0,1,0,0,1,0|0,0,2]=4 406 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [0,1,0,0,1,0|0,0,0]=2 407 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [0,1,0,0,1,0|0,0,0]=2 408 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [0,1,0,0,1,0|0,0,0]=2 409 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [0,1,0,0,1,0|0,0,0]=2 410 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [0,1,0,0,1,0|0,0,0]=2 411 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Br MCULE-8839357052 [0,1,0,0,1,0|2,0,0]=4 412 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl MCULE-8962558505 [0,1,0,0,1,0|2,0,0]=4 413 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)F MCULE-6235603955 [0,1,0,0,1,0|2,0,0]=4 414 B16R2.22833 CC1=C2C=CN(C2=CC=C1)CCC(=O)O MCULE-9596357833 [0,1,0,0,1,0|2,0,0]=4 415 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O MCULE-4873321993 [0,1,0,0,1,0|0,0,0]=2 416 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)Br MCULE-3881669082 [0,1,0,0,1,0|0,0,0]=2 417 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)F MCULE-5570346888 [0,1,0,0,1,0|0,0,0]=2 418 B16R2.22833 O=C(O)CCN1C=CC2=C1C=CC=C2Cl MCULE-2417395618 [0,1,0,0,1,0|2,0,0]=4 419 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O MCULE-3911363614 [0,1,0,0,1,0|0,0,0]=2 420 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Br MCULE-4118032651 [0,1,0,0,1,0|0,0,0]=2 421 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Cl MCULE-4256140437 [0,1,0,0,1,0|0,0,0]=2 422 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)F MCULE-7647345792 [0,1,0,0,1,0|0,0,0]=2 423 B16R2.104522 CC1=CN(C2=C1C=CC=C2)CCC(=O)O MCULE-1072974776 [0,1,0,0,1,0|2,0,0]=4 424 B16R2.104522 CN1C=C(C2=C1C=CC=C2)/C=C/C(=O)O MCULE-5303153365 [0,1,0,0,1,0|0,0,2]=4 425 B16R2.104522 CN1C=C(C2=C1C=CC=C2)C=CC(=O)O MCULE-2015820777 [0,1,0,0,1,0|0,0,2]=4 426 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-1723021666 [0,1,0,0,1,0|0,0,0]=2 427 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)N MCULE-3627246897 [0,1,0,0,1,0|2,0,0]=4 428 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-6156123962 [0,1,0,0,1,0|1,0,0]=3 429 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-4973059418 [0,1,0,0,1,0|2,0,0]=4 430 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-9879778332 [0,1,0,0,1,0|2,0,0]=4 431 B16R2.104522 CN1N=C(C2=CC=CC=C12)OCC(=O)O MCULE-9024504068 [0,1,0,0,1,0|2,0,0]=4 432 B18R2.11 O=C(O)CNC(=O)CC1=CNC2=C1C=CC=C2 MCULE-7715360013 [0,1,0,0,0,1|0,0,1]=3 433 B18R2.375 COC(=O)CCCOC1=NSC2=CC=CC=C12 MCULE-8488251484 [0,1,0,0,0,1|2,0,0]=4 434 B18R2.375 COC(=O)CNCCC1=CNC2=C1C=CC=C2 MCULE-2451353974 [0,1,0,0,0,1|0,0,0]=2 435 B18R2.4014 O=C(O)CCCCN1C=CC2=C1C=CC(=C2)Br MCULE-9389920037 [0,1,0,0,0,1|2,0,0]=4 436 B18R2.6176 CC(=O)NCCSC1=C(NC2=C1C=CC=C2)C MCULE-8276583320 [0,1,0,0,0,1|2,0,0]=4 437 B18R2.7182 O=C(O)CCCC(=O)C1=CNC2=C1C=CC=C2 MCULE-4017484698 [0,1,0,0,0,1|0,0,0]=2 438 B18R2.7182 O=C(O)CCCC(=O)N1C=NC2=CC=CC=C12 MCULE-4553472342 [0,1,0,0,0,1|1,0,1]=4 439 B18R2.7182 O=C(O)CCNC(=O)C1=CNC2=C1C=CC=C2 MCULE-4752942653 [0,1,0,0,0,1|0,0,1]=3 440 B18R2.7182 O=C([O-])CCCC(=O)C1=CNC2=C1C=CC=C2 MCULE-5624538151 [0,1,0,0,0,1|0,0,1]=3 441 B18R2.40893 CC(=O)NCCCC1=CNC2=C1C=C(C=C2)C MCULE-3241605365 [0,1,0,0,0,1|1,0,0]=3 442 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Br MCULE-9504069883 [0,1,0,0,0,1|1,0,0]=3 443 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Cl MCULE-7359629042 [0,1,0,0,0,1|1,0,0]=3 444 B18R2.6153 CC1=NC2=CC=CC=C2N=C1SCCC(=O)O MCULE-1744433875 [0,1,0,0,0,1|1,0,1]=4 445 B18R2.9469 COC(=O)CCCC1=NC2=NC=CC=C2C=C1 MCULE-1394962105 [0,1,0,0,0,1|2,0,0]=4 446 B18R2.9469 COC(=O)CCNC1=CC2=C(C=CC=C2)C=C1 MCULE-7464924072 [0,1,0,0,0,1|2,0,0]=4 447 B18R2.12980 NC(CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2057116396 [0,1,0,0,0,1|1,0,0]=3 448 B18R2.12980 N[C@@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-8154439015 [0,1,0,0,0,1|1,0,0]=3 449 B18R2.12980 N[C@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2542758154 [0,1,0,0,0,1|1,0,0]=3 450 B18R2.12980 N[C@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-4336994641 [0,1,0,0,0,1|1,0,0]=3 451 B18R2.12980 O=C(O)C(=O)CCC1=CC=C2C=CC=CC2=C1 MCULE-1418811950 [0,1,0,0,0,1|1,0,1]=4 452 B18R2.14644 O=C(O)CCC(=O)C1=CC=C2C=CC=CC2=C1 MCULE-5614873760 [0,1,0,0,0,1|1,0,1]=4 453 B18R2.63530 CC1=CC(=NC2=CC=CC=C12)SCCC(=O)O MCULE-6613843000 [0,1,0,0,0,1|2,0,0]=4 454 B18R2.63530 O=C(O)CCCC1=NC(=O)C2=C(N1)C=CC=C2 MCULE-2518952911 [0,1,0,0,0,1|2,0,0]=4 455 B18R2.71948 NC(CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-6797786349 [0,1,0,0,0,1|1,0,0]=3 456 B18R2.71948 NC(CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-3843004185 [0,1,0,0,0,1|1,0,0]=3 457 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-2687919760 [0,1,0,0,0,1|1,0,0]=3 458 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-3714648018 [0,1,0,0,0,1|1,0,0]=3 459 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-4785055121 [0,1,0,0,0,1|1,0,0]=3 460 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-7647901070 [0,1,0,0,0,1|1,0,0]=3 461 B18R2.71948 N[C@H](CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-2765510430 [0,1,0,0,0,1|1,0,0]=3 462 B18R2.71948 N[C@H](CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-5563402622 [0,1,0,0,0,1|1,0,0]=3 463 B18R2.71948 N[C@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-5880152630 [0,1,0,0,0,1|1,0,0]=3 464 B18R2.71948 N[C@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-9682369853 [0,1,0,0,0,1|1,0,0]=3 465 B18R2.282514 O=C(O)CCCN1C=NC2=CC=CC=C2C1=O MCULE-9204916065 [0,1,0,0,0,1|1,0,1]=4 466 B18R2.4028 O=C(O)CCSC1=C2C=CC(=CC2=NC=C1)Cl MCULE-5736106634 [0,1,0,0,0,1|1,0,1]=4 467 B18R2.4028 O=C(O)CCSC1=NC=NC2=CC(=CC=C12)Cl MCULE-7533195754 [0,1,0,0,0,1|1,0,1]=4 468 B18R2.6165 CC1=NC2=CC=CC=C2C(=C1)SCCC(=O)O MCULE-2993399507 [0,1,0,0,0,1|1,0,1]=4 469 B18R2.6165 CC1=NC2=CC=CC=C2C(=N1)SCCC(=O)O MCULE-3073020259 [0,1,0,0,0,1|1,0,1]=4 470 B18R2.6165 [NH+]1=C(C=C(C2=C1C=CC=C2)SCCC(=O)O)C MCULE-8760081219 [0,1,0,0,0,1|1,0,1]=4 471 B18R2.6573 O=C(O)CCCN1C(=O)CCC2=C1C=CC=C2 MCULE-2780116161 [0,1,0,0,0,1|2,0,0]=4 472 B18R2.6573 O=C(O)CCCN1C(=O)COC2=CC=CC=C12 MCULE-7835377157 [0,1,0,0,0,1|2,0,0]=4 473 B18R2.31660 CC1=CC=C2N=CN=C(C2=C1)NCCC(=O)O MCULE-2061676835 [0,1,0,0,0,1|1,0,1]=4 474 B18R2.31660 CC1=CC=C2N=CN=C(C2=C1)NCCC(=O)O MCULE-9831374579 [0,1,0,0,0,1|1,0,1]=4 475 B18R2.31660 O=C(O)CCNC1=NC=NC2=CC=C(C=C12)Br MCULE-4763395919 [0,1,0,0,0,1|1,0,1]=4 476 B18R2.31660 O=C(O)CCNC1=NC=NC2=CC=C(C=C12)Br MCULE-6497872284 [0,1,0,0,0,1|1,0,1]=4 477 B18R2.741502 COC(=O)CCNC1=CC=CC2=C1C=CC=C2 MCULE-2724438941 [0,1,0,0,0,1|2,0,0]=4 478 B18R2.2417296 CC(SCC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2652256206 [0,1,0,0,0,1|2,0,0]=4 479 B18R2.2459307 O=C(O)CCC(=O)C1=C2C=CC=CC2=CC=C1 MCULE-2693981036 [0,1,0,0,0,1|1,0,1]=4 480 B18R2.2880857 NC(CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3013238045 [0,1,0,0,0,1|1,0,0]=3 481 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=C1C=CC=C2 MCULE-9404785835 [0,1,0,0,0,1|1,0,0]=3 482 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-2019424542 [0,1,0,0,0,1|1,0,0]=3 483 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-5606757508 [0,1,0,0,0,1|1,0,0]=3 484 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3797651987 [0,1,0,0,0,1|1,0,0]=3 485 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-6033740850 [0,1,0,0,0,1|1,0,0]=3 486 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9124069558 [0,1,0,0,0,1|1,0,0]=3 487 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9676520382 [0,1,0,0,0,1|1,0,0]=3 488 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-4660850865 [0,1,0,0,0,1|1,0,0]=3 489 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-7551483483 [0,1,0,0,0,1|1,0,0]=3 490 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8192986605 [0,1,0,0,0,1|1,0,0]=3 491 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8398868747 [0,1,0,0,0,1|1,0,0]=3 492 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-2631192696 [0,2,0,0,0,0|2,0,0]=4 493 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-8886917046 [0,2,0,0,0,0|2,0,0]=4 494 B18R2.1 CC(CC1=CNC2=CC=CC=C12)NC(=O)CCl MCULE-9634480354 [0,2,0,0,0,0|2,0,0]=4 495 B18R2.1 CCC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-8652738369 [0,2,0,0,0,0|2,0,0]=4 496 B18R2.1 COC(=O)CC(=O)CC1=CNC2=CC=CC=C12 MCULE-2568843439 [0,2,0,0,0,0|0,0,1]=3 497 B18R2.1 COC(=O)NC(C)CC1=CSC2=CC=CC=C12 MCULE-9916470942 [0,2,0,0,0,0|2,0,0]=4 498 B18R2.9 CC=CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-8728358053 [0,2,0,0,0,0|2,0,0]=4 499 B18R2.9 CCCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-2961469190 [0,2,0,0,0,0|2,0,0]=4 500 B18R2.9 CCOC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-3899640980 [0,2,0,0,0,0|0,0,0]=2 501 B18R2.9 COCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-6257773723 [0,2,0,0,0,0|1,0,0]=3 502 B18R2.9 N#CCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9692608056 [0,2,0,0,0,0|2,0,0]=4 503 B18R2.9 NCCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-7619206355 [0,2,0,0,0,0|2,0,0]=4 504 B18R2.9 NCCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-8357024163 [0,2,0,0,0,0|2,0,0]=4 505 B18R2.9 O=C(CCCl)NCCC1=CNC2=CC=CC=C12 MCULE-8203233721 [0,2,0,0,0,0|2,0,0]=4 506 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=C1C=CC=C2 MCULE-4223568421 [0,2,0,0,0,0|0,0,0]=2 507 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=CC=CC=C12 MCULE-8658266674 [0,2,0,0,0,0|0,0,0]=2 508 B18R2.10039 COC(=O)CCC(=O)C1=CNC2=C1C=CC=C2 MCULE-5524546254 [0,2,0,0,0,0|0,0,1]=3 509 B18R2.10039 COC(=O)CCC(=O)C1=CSC2=C1C=CC=C2 MCULE-9778857130 [0,2,0,0,0,0|1,0,1]=4 510 B18R2.10039 COC(=O)NCC(O)C1=CSC2=CC=CC=C12 MCULE-1729659621 [0,2,0,0,0,0|2,0,0]=4 511 B18R2.101402 CN1C=C(C2=C1C=CC=C2)CCCC(=O)NN MCULE-3284485380 [0,2,0,0,0,0|1,0,0]=3 512 B18R2.101402 COC(=O)CCCC1=CN(C2=C1C=CC=C2)C MCULE-8528235782 [0,2,0,0,0,0|0,0,0]=2 513 B18R2.101408 CC1=C(C2=C(N1)C=CC=C2)CCNC(=O)CCl MCULE-5818273832 [0,2,0,0,0,0|2,0,0]=4 514 B18R2.101408 COC(=O)CCCN1C(=S)NC2=CC=CC=C12 MCULE-6173684612 [0,2,0,0,0,0|1,0,0]=3 515 B18R2.746213 C=CC(=O)NCCC1=CNC2=CC=C(C=C12)C MCULE-6444833468 [0,2,0,0,0,0|2,0,0]=4 516 B18R2.746213 CCC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-3780380728 [0,2,0,0,0,0|2,0,0]=4 517 B18R2.746213 NCC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl MCULE-8715349415 [0,2,0,0,0,0|2,0,0]=4 518 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-4556328112 [0,2,0,0,0,0|2,0,0]=4 519 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-1352184206 [0,2,0,0,0,0|2,0,0]=4 520 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-2542107163 [0,2,0,0,0,0|2,0,0]=4 521 B18R2.746213 O=C(CCl)NCCC1=CNC2=CC=C(C=C12)F MCULE-2652503746 [0,2,0,0,0,0|2,0,0]=4 522 B18R2.6177 CC1=C(C2=C(N1)C=CC=C2)C(=O)CCC(=O)O MCULE-5061124116 [0,2,0,0,0,0|0,0,1]=3 523 B18R2.6177 CC1=C(C2=C(N1)C=CC=C2)C(=O)CCC(=O)[O-] MCULE-3245582038 [0,2,0,0,0,0|0,0,2]=4 524 B18R2.33002 O=C(O)CCCC1=C(NC2=C1C=CC(=C2)Br)Br MCULE-8378993756 [0,2,0,0,0,0|0,0,0]=2 525 B18R2.761 CSC1=NC2=CC=CC=C2N1CCCC(=O)O MCULE-1481032805 [0,2,0,0,0,0|1,0,1]=4 526 B18R2.274219 CC1=CC=C2OC(=O)N(C2=C1)CCCC(=O)O MCULE-2111315112 [0,2,0,0,0,0|2,0,0]=4 527 B18R2.274219 O=C(O)CCCN1C(=O)OC2=CC=C(C=C12)Cl MCULE-3157864294 [0,2,0,0,0,0|2,0,0]=4 528 B18R2.2313821 CC1=C(C2=CC=CC=C2N1C)CCCC(=O)O MCULE-1525551204 [0,2,0,0,0,0|0,0,0]=2 529 B18R2.2313821 O=C(O)CCCN1C(=O)C(=O)C2=CC=CC=C12 MCULE-8365371182 [0,2,0,0,0,0|2,0,0]=4 530 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCCC(=O)O MCULE-6433041137 [0,2,0,0,0,0|0,0,0]=2 531 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [0,2,0,0,0,0|2,0,0]=4 532 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N MCULE-9090970902 [0,2,0,0,0,0|2,0,0]=4 533 B18R2.254903 CCN1C=C(C2=CC=CC=C12)CCCC(=O)O MCULE-1970610125 [0,2,0,0,0,0|0,0,0]=2 534 B18R2.254903 O=CC1=CN(C2=C1C=CC=C2)CCCC(=O)O MCULE-1601519811 [0,2,0,0,0,0|2,0,0]=4 535 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2576748975 [0,0,1,1,0,0|1,0,1]=4 536 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 MCULE-1008565666 [0,0,1,1,0,0|0,0,2]=4 537 B16R2.477 O=C(O)CCC1CNC2=C(C1)C=CC=C2 MCULE-2121494011 [0,0,1,1,0,0|0,0,2]=4 538 B16R2.87 O=C(O)C1CCCCN1C2=CC=CC=C2 MCULE-8088382979 [0,0,1,1,0,0|0,0,2]=4 539 B16R2.252 O=C1C=C(CCC1)NNC2=CC=CC=C2 MCULE-7016916577 [0,0,1,1,0,0|2,0,0]=4 540 B16R2.252 O=C1CCC/C(=N/NC2=CC=CC=C2)/C1 MCULE-2237711933 [0,0,1,1,0,0|2,0,0]=4 541 B16R2.252 O=C1CCCC(=NNC2=CC=CC=C2)C1 MCULE-1880637954 [0,0,1,1,0,0|2,0,0]=4 542 B16R2.252 OC1=CC(=NNC2=CC=CC=C2)CCC1 MCULE-6129216720 [0,0,1,1,0,0|2,0,0]=4 543 B16R2.464 O=C(O)C1CCCC1NC2=CC=CC=C2 MCULE-1401749537 [0,0,1,1,0,0|0,0,2]=4 544 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 MCULE-6755596415 [0,0,1,1,0,0|1,0,1]=4 545 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 MCULE-1182257474 [0,0,1,1,0,0|0,0,2]=4 546 B16R2.180786 O=C(O)CC1CCCNC2=C1C=CC=C2 MCULE-5229435304 [0,0,1,1,0,0|0,0,2]=4 547 B16R2.157 O=C(O)CC1CC(=NO1)C2=CC=CC=C2 MCULE-6853028103 [0,0,1,1,0,0|2,0,0]=4 548 B16R2.12348 O=C(O)C1CCN(C1=O)C2=CC=CC=C2 MCULE-2950323058 [0,0,1,1,0,0|2,0,0]=4 549 B16R2.81677 O=C1CCC(CC2=C1C=CC=C2)C(=O)O MCULE-4402815341 [0,0,1,1,0,0|2,0,0]=4 550 B16R3.8 C1=CC2=C(C=C1)C(=CN2)C3CCCN3 MCULE-2540926414 [1,0,0,1,0,0|1,0,1]=4 551 B16R3.8 C1=CC2=C(C=C1)C(=CN2)C3CCCN3 MCULE-7271070519 [1,0,0,1,0,0|1,0,1]=4 552 B16R3.8 C1=CC2=C(C=C1)C(=CN2)C3CCNC3 MCULE-4243882635 [1,0,0,1,0,0|2,0,0]=4 553 B16R3.8 C1=CC=C2C(=C1)NC=C2[C@@H]3CCCN3 MCULE-6813472386 [1,0,0,1,0,0|1,0,1]=4 554 B16R3.8 C1=CC=C2C(=C1)NC=C2[C@@H]3CCCN3 MCULE-8496366934 [1,0,0,1,0,0|1,0,1]=4 555 B16R3.8 C1=CC=C2C(=C1)NC=C2[C@H]3CCCN3 MCULE-1676613656 [1,0,0,1,0,0|1,0,1]=4 556 B16R3.8 C1=CC=C2C(=C1)NC=C2[C@H]3CCCN3 MCULE-3287012148 [1,0,0,1,0,0|1,0,1]=4 557 B16R3.1517 ON=C1CCC2=C1NC3=C2C=CC=C3 MCULE-2402829577 [1,0,0,1,0,0|1,0,1]=4 558 B16R3.1722 C1=CC2=C(C=C1)C3=C(N2)CCCCC3 MCULE-8668206229 [1,0,0,1,0,0|1,0,1]=4 559 B16R3.1722 C1=CC=C2C(=C1)NC3=C2CCCNC3 MCULE-4752378298 [1,0,0,1,0,0|2,0,0]=4 560 B16R3.3329 CC1=NCCC2=C1NC3=C2C=CC=C3 MCULE-2765797747 [1,0,0,1,0,0|2,0,0]=4 561 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 MCULE-3493050433 [1,0,0,1,0,0|1,0,1]=4 562 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 MCULE-5554185141 [1,0,0,1,0,0|1,0,1]=4 563 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 MCULE-8165438115 [1,0,0,1,0,0|0,0,0]=2 564 B16R3.3329 O=C1CCCC2=C1SC3=C2C=CC=C3 MCULE-9438365848 [1,0,0,1,0,0|1,0,0]=3 565 B16R3.3329 O=C1CCCN2C1=CC3=C2C=CC=C3 MCULE-6292449695 [1,0,0,1,0,0|2,0,0]=4 566 B16R3.3329 O=C1NCCC2=C1NC3=C2C=CC=C3 MCULE-9673359265 [1,0,0,1,0,0|1,0,0]=3 567 B16R3.3329 OC1CCCC2=C1NC3=CC=CC=C23 MCULE-8096623094 [1,0,0,1,0,0|0,0,1]=3 568 B16R3.2637 O=C1CC2=C(CN1)C3=C(N2)C=CC=C3 MCULE-3979644775 [0,0,0,1,1,0|2,0,0]=4 569 B16R3.2637 O=C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-1954151692 [0,0,0,1,1,0|1,0,0]=3 570 B16R3.17569 O=C1CCC2=CNC3=C2C(=CC=C3)N1 MCULE-1424890738 [0,0,0,1,1,0|1,0,0]=3 571 B18R3.2886 O=C1NC(CO1)CC2=CNC3=C2C=CC=C3 MCULE-9763410290 [0,0,0,1,0,1|1,0,0]=3 572 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-3671680420 [0,0,0,1,0,1|1,0,0]=3 573 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-5259168916 [0,0,0,1,0,1|1,0,0]=3 574 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-7199937431 [0,0,0,1,0,1|1,0,0]=3 575 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-8291836045 [0,0,0,1,0,1|1,0,0]=3 576 B18R3.117422 NC(=O)C1CCCC2=C1NC3=CC=CC=C23 MCULE-3806163207 [0,0,0,1,0,1|1,0,0]=3 577 B18R3.117422 NC(=O)C1NCCC2=C1NC3=C2C=CC=C3 MCULE-6293392121 [0,0,0,1,0,1|1,0,0]=3 578 B18R3.117422 NC(=O)C1[NH2+]CCC2=C1NC3=C2C=CC=C3 MCULE-5381256007 [0,0,0,1,0,1|1,0,0]=3 579 B18R3.117422 O=C(O)C1CCCC2=C1NC3=CC=CC=C23 MCULE-3441343070 [0,0,0,1,0,1|0,0,0]=2 580 B18R3.117422 O=C([O-])C1[NH2+]CCC2=C1NC3=CC=CC=C23 MCULE-8223119168 [0,0,0,1,0,1|0,0,1]=3 581 B18R3.2942 O=C1CCC(O1)C2=CC=C3C=CC=CC3=C2 MCULE-3438368811 [0,0,0,1,0,1|1,0,0]=3 582 B18R3.987165 O=C(O)C1CC1C2=CC3=C(C=CC=C3)C=C2 MCULE-4016290075 [0,0,0,1,0,1|1,0,0]=3 583 B18R3.987165 O=C(O)[C@@H]1C[C@@H]1C2=CC3=CC=CC=C3C=C2 MCULE-8742199129 [0,0,0,1,0,1|1,0,0]=3 584 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=CC=C2 MCULE-7053036690 [0,0,0,1,0,1|1,0,0]=3 585 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=NC=C2 MCULE-8088552648 [0,0,0,1,0,1|0,0,1]=3 586 B18R3.7353 O=C(O)[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 MCULE-9604194619 [0,0,0,1,0,1|1,0,0]=3 587 B18R3.7353 O=C(O)[C@H]1C[C@@H]1C2=C3C=CC=CC3=CC=C2 MCULE-6045987686 [0,0,0,1,0,1|1,0,0]=3 588 B18R3.115974 O=C(O)CC1CC2=CC=CC3=CC=CC1=C23 MCULE-6019834743 [0,0,0,1,0,1|1,0,0]=3 589 B18R3.116932 CC(=O)N1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-9896510949 [0,1,0,1,0,0|2,0,0]=4 590 B18R3.116932 O=C(O)C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-4262719832 [0,1,0,1,0,0|0,0,0]=2 591 B18R3.116932 O=C(O)C1CCN2C(=NC3=C2C=CC=C3)C1 MCULE-6441463069 [0,1,0,1,0,0|1,0,1]=4 592 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@@H]3CNC(=O)N3 MCULE-4495665691 [0,1,0,1,0,0|2,0,0]=4 593 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@@H]3COC(=O)N3 MCULE-6716305916 [0,1,0,1,0,0|2,0,0]=4 594 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@H]3CNC(=O)N3 MCULE-2356644249 [0,1,0,1,0,0|2,0,0]=4 595 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@H]3COC(=O)N3 MCULE-1417590373 [0,1,0,1,0,0|2,0,0]=4 596 B18R3.30670 O=C1NC[C@@H](N1)C2=CNC3=C2C=C(C=C3)Br MCULE-5544262829 [0,1,0,1,0,0|2,0,0]=4 597 B18R3.30670 O=C1NC[C@H](N1)C2=CNC3=C2C=C(C=C3)Br MCULE-6216601742 [0,1,0,1,0,0|2,0,0]=4 598 B18R3.30670 O=C1N[C@@H](CO1)C2=CNC3=C2C=C(C=C3)Br MCULE-3694748414 [0,1,0,1,0,0|2,0,0]=4 599 B18R3.30670 O=C1N[C@H](CO1)C2=CNC3=C2C=C(C=C3)Br MCULE-6457849966 [0,1,0,1,0,0|2,0,0]=4 600 B18R3.4096714 CC1=CC2=C(C=C1)NC3=C2CCC3C(=O)N MCULE-5246304273 [0,1,0,1,0,0|1,0,0]=3 601 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@@H]3CNC(=O)N3 MCULE-7430679533 [0,1,0,1,0,0|2,0,0]=4 602 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@@H]3COC(=O)N3 MCULE-9720506921 [0,1,0,1,0,0|2,0,0]=4 603 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@H]3CNC(=O)N3 MCULE-4213211310 [0,1,0,1,0,0|2,0,0]=4 604 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@H]3COC(=O)N3 MCULE-2804811700 [0,1,0,1,0,0|2,0,0]=4 605 B14R1.96 COC1=CC=CC=C1CCCC(=O)O MCULE-5200320010 [0,0,1,0,1,0|1,0,1]=4 606 B14R1.422 O=C(O)CCCC#CC1=CC=CC=C1 MCULE-7340610469 [0,0,1,0,1,0|0,0,2]=4 607 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 MCULE-8701939268 [0,0,1,0,1,0|0,0,2]=4 608 B14R1.422 O=C(O)CCCCNC1=CC=CC=N1 MCULE-9637351472 [0,0,1,0,1,0|1,0,1]=4 609 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 MCULE-7803519351 [0,0,1,0,1,0|1,0,1]=4 610 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 MCULE-6448037636 [0,0,1,0,1,0|1,0,1]=4 611 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 MCULE-8777305709 [0,0,1,0,1,0|1,0,1]=4 612 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 MCULE-3020556599 [0,0,1,0,1,0|1,0,1]=4 613 B14R1.422 O=C(O)CCCSCC1=CC=CC=C1 MCULE-4415458412 [0,0,1,0,1,0|1,0,1]=4 614 B14R1.422 O=C(O)CCS/C=C/C1=CC=CC=C1 MCULE-9158275268 [0,0,1,0,1,0|1,0,0]=3 615 B14R1.422 O=C(O)CCSC=CC1=CC=CC=C1 MCULE-3190918133 [0,0,1,0,1,0|1,0,0]=3 616 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-2348036420 [0,0,1,0,1,0|1,0,0]=3 617 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-7721479692 [0,0,1,0,1,0|1,0,0]=3 618 B14R1.540 NN=C(CCC(=O)O)C1=CC=CC=C1 MCULE-6558474133 [0,0,1,0,1,0|1,0,0]=3 619 B14R1.160 CC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2701695748 [0,0,1,0,1,0|2,0,0]=4 620 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6337040358 [0,0,1,0,1,0|2,0,0]=4 621 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-7892803957 [0,0,1,0,1,0|2,0,0]=4 622 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br MCULE-5626452166 [0,0,1,0,1,0|2,0,0]=4 623 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)F MCULE-2439050217 [0,0,1,0,1,0|2,0,0]=4 624 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)I MCULE-4955543307 [0,0,1,0,1,0|2,0,0]=4 625 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl MCULE-7314693029 [0,0,1,0,1,0|2,0,0]=4 626 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [0,0,0,0,2,0|1,0,0]=3 627 B14R2.2 CC(=O)CC1=COC2=C1C=CC=C2 MCULE-3973293992 [0,0,0,0,2,0|2,0,0]=4 628 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 MCULE-7756909848 [0,0,0,0,2,0|2,0,0]=4 629 B14R2.2 CC(O)CC1=CNC2=CC=CC=C12 MCULE-4095237423 [0,0,0,0,2,0|1,0,1]=4 630 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-5882898867 [0,0,0,0,2,0|2,0,0]=4 631 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-6089875221 [0,0,0,0,2,0|2,0,0]=4 632 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [0,0,0,0,2,0|1,0,0]=3 633 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 MCULE-3382342505 [0,0,0,0,2,0|2,0,0]=4 634 B14R2.2 NC(=S)CC1=CNC2=C1C=CC=C2 MCULE-8809650069 [0,0,0,0,2,0|1,1,0]=4 635 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 MCULE-6562481749 [0,0,0,0,2,0|1,0,0]=3 636 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 MCULE-4741629356 [0,0,0,0,2,0|2,0,0]=4 637 B14R2.2 O=C(O)CC1=C2C=CC=CN2N=C1 MCULE-4064520120 [0,0,0,0,2,0|1,0,1]=4 638 B14R2.2 O=C(O)CC1=C2C=CNC=C2N=C1 MCULE-8161143287 [0,0,0,0,2,0|1,0,1]=4 639 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=C2 MCULE-5015122117 [0,0,0,0,2,0|1,0,1]=4 640 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=C2 MCULE-7817520804 [0,0,0,0,2,0|1,0,1]=4 641 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 MCULE-9266736782 [0,0,0,0,2,0|0,0,0]=2 642 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 MCULE-3393546300 [0,0,0,0,2,0|1,0,0]=3 643 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1011345996 [0,0,0,0,2,0|1,0,0]=3 644 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1460737867 [0,0,0,0,2,0|1,0,0]=3 645 B14R2.2 O=C(O)CC1=CNC2=CC=CN=C12 MCULE-7199890870 [0,0,0,0,2,0|1,0,0]=3 646 B14R2.2 O=C(O)CC1=CNC2=NC=CC=C12 MCULE-3834471692 [0,0,0,0,2,0|1,0,0]=3 647 B14R2.2 O=C(O)CC1=CNC2=NC=CN=C12 MCULE-3940180881 [0,0,0,0,2,0|2,0,0]=4 648 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 MCULE-6197784001 [0,0,0,0,2,0|1,0,0]=3 649 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 MCULE-5976245234 [0,0,0,0,2,0|1,0,0]=3 650 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C12 MCULE-8082948728 [0,0,0,0,2,0|1,0,0]=3 651 B14R2.2 O=C(O)CC1=NNC2=NC=CC=C12 MCULE-6803403652 [0,0,0,0,2,0|2,0,0]=4 652 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 MCULE-4494939468 [0,0,0,0,2,0|2,0,0]=4 653 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 MCULE-4666776096 [0,0,0,0,2,0|2,0,0]=4 654 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-4485519781 [0,0,0,0,2,0|0,0,2]=4 655 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-9569578698 [0,0,0,0,2,0|0,0,2]=4 656 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C12 MCULE-3243128001 [0,0,0,0,2,0|2,0,0]=4 657 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C12 MCULE-5269416736 [0,0,0,0,2,0|1,0,1]=4 658 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C12 MCULE-6499795191 [0,0,0,0,2,0|1,0,1]=4 659 B14R2.2 O=C(O)C[N+]1=CSC2=C1C=CC=C2 MCULE-4561417538 [0,0,0,0,2,0|2,0,0]=4 660 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-3608225852 [0,0,0,0,2,0|0,0,1]=3 661 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-7228643156 [0,0,0,0,2,0|0,0,1]=3 662 B16R1.596 O=C(O)CCCCCC=CC1=CC=CC=C1 MCULE-7168947021 [0,0,1,0,0,1|1,0,1]=4 663 B16R1.7414 CC1=C(C=CC=C1)NC(=O)CCCC(=O)O MCULE-3342652667 [0,0,1,0,0,1|2,0,0]=4 664 B16R1.7414 NC1=NC=CC=C1NC(=O)CCCC(=O)O MCULE-7236758782 [0,0,1,0,0,1|2,0,0]=4 665 B16R1.7414 O=C(O)CCCC(=O)NC1=C(C=CC=C1)Br MCULE-9476137332 [0,0,1,0,0,1|2,0,0]=4 666 B16R1.7414 O=C(O)CCCC(=O)NC1=C(C=CC=C1)Cl MCULE-5198502353 [0,0,1,0,0,1|2,0,0]=4 667 B16R1.7414 O=C(O)CCCC(=O)NC1=CC=CC=C1I MCULE-2325637205 [0,0,1,0,0,1|2,0,0]=4 668 B16R1.7414 O=C(O)CCCC(=O)NC1=CC=CC=C1O MCULE-6602979395 [0,0,1,0,0,1|2,0,0]=4 669 B16R1.10817 CC1=C(C=CC=C1)C(=O)CCCCC(=O)O MCULE-9993242574 [0,0,1,0,0,1|2,0,0]=4 670 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)Br MCULE-9649488550 [0,0,1,0,0,1|2,0,0]=4 671 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)Cl MCULE-8142111727 [0,0,1,0,0,1|2,0,0]=4 672 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)F MCULE-7395714403 [0,0,1,0,0,1|2,0,0]=4 673 B16R1.10817 O=C(O)CCCCC(=O)C1=C(C=CC=C1)I MCULE-9999597395 [0,0,1,0,0,1|2,0,0]=4 674 B16R1.10817 O=C(O)CCCNC(=O)C1=C(C=CC=C1)Br MCULE-7765466387 [0,0,1,0,0,1|2,0,0]=4 675 B16R1.10817 O=C(O)CCCNC(=O)C1=CC=CC=C1Cl MCULE-5418059444 [0,0,1,0,0,1|2,0,0]=4 676 B16R2.2441 OCCCCC1=CC=C2C=CC=CC2=C1 MCULE-1802943962 [1,0,0,0,0,1|1,0,1]=4 677 B16R2.50359 C=CCCCC1=CC=CC2=CC=CC=C12 MCULE-1965174110 [1,0,0,0,0,1|2,0,0]=4 678 B18R2.176 O=C(O)CCCCCC1=CNC2=C1C=CC=C2 MCULE-9169474804 [0,0,0,0,0,2|0,0,0]=2 679 B18R2.176 O=C(O)CCNCCC1=CNC2=C1C=CC=C2 MCULE-3149141549 [0,0,0,0,0,2|0,0,0]=2 680 B18R2.9909 O=C(O)CCC/N=C\1/CCC2=C(N1)C=CC=C2 MCULE-6616096840 [0,0,0,0,0,2|1,0,1]=4 681 B18R2.9909 O=C(O)CCCOC1=CC2=CC=CC=C2C=C1 MCULE-2805924480 [0,0,0,0,0,2|1,0,0]=3 682 B18R2.556536 O=C(O)CCCNC1=NC=NC2=CC=CC=C12 MCULE-4626036717 [0,0,0,0,0,2|0,0,1]=3 683 B18R2.556536 O=C(O)CCCNC1=NC=NC2=CC=CC=C12 MCULE-4757815573 [0,0,0,0,0,2|0,0,1]=3 684 B18R2.556536 O=C(O)CCCOC1=C2C=CC=CC2=CC=C1 MCULE-6873059720 [0,0,0,0,0,2|1,0,0]=3 685 B18R2.556536 O=C(O)CCCOC1=C2N=CC=CC2=CC=C1 MCULE-4797069550 [0,0,0,0,0,2|2,0,0]=4 686 B18R2.556536 O=C(O)CCSCC1=C2C=CC=CC2=CC=C1 MCULE-6595227630 [0,0,0,0,0,2|1,0,0]=3