0 B13R1.7553 CC1=C(C(=NO1)O)CC(N)C(=O)O MCULE-6459705040 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.7553 CC1=C(C(=NO1)O)CC(N)C(=O)O MCULE-8572875801 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.7553 CC1=C(C(=NO1)O)CC(N)C(=O)O MCULE-9236186759 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.7553 CC1=C(C(=NO1)O)C[C@@H](N)C(=O)O MCULE-7430023902 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.7553 CC1=C(C(=NO1)O)C[C@H](N)C(=O)O MCULE-5889895543 [0,0,0,0,0,0|0,0,0]=0 5 B13R1.7553 CC1=C(C(=O)NO1)C[C@@H](N)C(=O)O MCULE-2114190890 [0,0,0,0,0,0|0,0,2]=2 6 B13R1.7553 CC1=C(C(=O)NO1)C[C@@H]([NH3+])C(=O)[O-] MCULE-3329635851 [0,0,0,0,0,0|0,0,4]=4 7 B13R1.7553 CC1=C(C(=O)NO1)C[C@H](N)C(=O)O MCULE-8287349358 [0,0,0,0,0,0|0,0,2]=2 8 B13R1.7553 CC1=NNC(=C1CC(C)C(=O)O)C MCULE-2112346186 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.7553 CC1=NOC(=C1CC(C)C(=O)O)C MCULE-5400270936 [0,0,0,0,0,0|2,0,0]=2 10 B13R1.7553 CN1C=NC(=C1C[C@H](N)C(=O)O)S MCULE-4488531209 [0,0,0,0,0,0|2,1,0]=3 11 B12R1.145 CC1=C(SC=C1)CC(N)C(=O)O MCULE-6046203051 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.145 CC1=C(SC=N1)CC(N)C(=O)O MCULE-4057990716 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.145 CN1C=NC=C1CC(N)C(=O)O MCULE-1761463456 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.145 CN1C=NC=C1CC(N)C(=O)O MCULE-8928603063 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O MCULE-6549131401 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O MCULE-7888445981 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O MCULE-4604416706 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O MCULE-9852133553 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.145 NC(CC1=C(N=CN1)F)C(=O)O MCULE-7082079488 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.145 N[C@@H](CC1=C(N=CN1)F)C(=O)O MCULE-8451688674 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.145 N[C@H](CC1=C(N=CN1)F)C(=O)O MCULE-6441017949 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.895 CC1=C(N(N=C1)C)CCC(=O)O MCULE-9482946953 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.895 CC1=CNC(=C1CCC(=O)O)C MCULE-2695061568 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.895 CC1=NNC(=C1CCC(=O)O)C MCULE-1206963979 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.895 CC1=NNC(=C1CCC(=O)O)C MCULE-7629156157 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.895 CC1=NNC(=C1CCC(=O)O)O MCULE-3991533961 [1,0,0,0,0,0|1,0,1]=3 27 B12R1.895 CC1=NOC(=C1/C=C/C(=O)O)C MCULE-1958199359 [1,0,0,0,0,0|1,0,2]=4 28 B12R1.895 CC1=NOC(=C1C=CC(=O)O)C MCULE-5661232276 [1,0,0,0,0,0|1,0,2]=4 29 B12R1.895 CC1=NOC(=C1CCC(=O)Cl)C MCULE-5037869645 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.895 CC1=NOC(=C1CCC(=O)N)C MCULE-9997849146 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.895 CC1=NOC(=C1CCC(=O)O)C MCULE-1308435850 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.895 CC1=NOC(=C1CCC(=O)O)Cl MCULE-2641681049 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.895 CC1=NOC(=O)C1CCC(=O)O MCULE-9449017455 [1,0,0,0,0,0|2,0,1]=4 34 B14R1.4351 CC1=NN(C(=C1CC(C)C(=O)O)C)C MCULE-8667059299 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.13089 COC(=O)[C@@H](N)CC1=C(NN=C1C)C MCULE-7434784877 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.13089 COC(=O)[C@H](N)CC1=C(NN=C1C)C MCULE-1729974995 [0,1,0,0,0,0|2,0,0]=3 37 B12R0.339 NC(CC(C(=O)O)C(=O)O)C(=O)O MCULE-9211852409 [0,0,1,0,0,0|2,0,1]=4 38 B12R0.339 N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O MCULE-3470440072 [0,0,1,0,0,0|2,0,1]=4 39 B14R2.24358 CC1=C2CC(CCC2=NN1)C(=O)O MCULE-7780266620 [0,0,0,1,0,0|3,0,0]=4 40 B14R2.24358 CC1=NN=C2N1CC(NC2)C(=O)O MCULE-2439422065 [0,0,0,1,0,0|3,0,0]=4 41 B14R2.24358 CC1=NN=C2N1CC(NC2)C(=O)O MCULE-3015042011 [0,0,0,1,0,0|3,0,0]=4 42 B14R2.24358 CN1C=NC2=C1CC(NC2)C(=O)O MCULE-3342514662 [0,0,0,1,0,0|3,0,0]=4 43 B14R2.24358 CN1C=NC2=C1CC(NC2)C(=O)O MCULE-4086170144 [0,0,0,1,0,0|3,0,0]=4 44 B14R2.24358 O=C(O)C1CC2=C(NN=C2CN1)O MCULE-2384451159 [0,0,0,1,0,0|1,0,1]=3 45 B14R2.24358 O=C(O)C1CC2=C(NN=C2CN1)O MCULE-5987990061 [0,0,0,1,0,0|1,0,1]=3 46 B12R1.897 CC1=NNC(=C1C(C)C(=O)O)C MCULE-1254254374 [0,0,0,0,1,0|3,0,0]=4 47 B12R1.897 CC1=NNC(=C1C(N)C(=O)O)C MCULE-2983329970 [0,0,0,0,1,0|2,0,0]=3 48 B12R1.897 CC1=NNC(=C1C(N)C(=O)O)C MCULE-3152432222 [0,0,0,0,1,0|2,0,0]=3 49 B12R1.897 CC1=NOC(=C1C(C)C(=O)O)C MCULE-7497805651 [0,0,0,0,1,0|2,0,0]=3 50 B14R1.4474 CC1=C(C=C(C=C1)F)CC(N)C(=O)O MCULE-6230236429 [0,0,0,0,0,1|3,0,0]=4 51 B14R1.4474 CC1=CC(=C(C=C1)F)CC(N)C(=O)O MCULE-9435916165 [0,0,0,0,0,1|3,0,0]=4 52 B14R1.4474 CC1=CC=C(C(=C1)CC(N)C(=O)O)C MCULE-9922816243 [0,0,0,0,0,1|3,0,0]=4 53 B14R1.4474 CC1=CC=C(C=C1C[C@@H](N)C(=O)O)Cl MCULE-3019309777 [0,0,0,0,0,1|3,0,0]=4 54 B14R1.4474 CC1=CC=C(C=C1C[C@H](N)C(=O)O)Cl MCULE-9341618661 [0,0,0,0,0,1|3,0,0]=4 55 B14R1.4474 CC1=CC=C(C=C1C[C@H](N)C(=O)O)I MCULE-3916124433 [0,0,0,0,0,1|3,0,0]=4 56 B14R1.4474 NC(CC1=CC(=CC=C1O)Cl)C(=O)O MCULE-7240264115 [0,0,0,0,0,1|3,0,0]=4 57 B14R1.4474 NC(CC1=CC(=CC=C1O)Cl)C(=O)O MCULE-7437390670 [0,0,0,0,0,1|3,0,0]=4 58 B14R1.4474 NC(CC1=CC(=CC=C1O)O)C(=O)O MCULE-9999130423 [0,0,0,0,0,1|3,0,0]=4 59 B14R1.4474 N[C@@H](CC1=CC(=CC=C1F)O)C(=O)O MCULE-2420020399 [0,0,0,0,0,1|3,0,0]=4 60 B14R1.4474 N[C@@H](CC1=CC(=CC=C1O)Cl)C(=O)O MCULE-5414431264 [0,0,0,0,0,1|3,0,0]=4 61 B14R1.4474 N[C@@H](CC1=CC(=CC=C1O)Cl)C(=O)O MCULE-5712623856 [0,0,0,0,0,1|3,0,0]=4 62 B14R1.4474 N[C@@H](CC1=CC(=CC=C1O)O)C(=O)O MCULE-5046360642 [0,0,0,0,0,1|3,0,0]=4 63 B14R1.4474 N[C@H](CC1=C(C=CC(=C1)O)F)C(=O)O MCULE-3860103406 [0,0,0,0,0,1|3,0,0]=4 64 B14R1.4474 N[C@H](CC1=C(C=CC(=C1)O)F)C(=O)O MCULE-7706920763 [0,0,0,0,0,1|3,0,0]=4 65 B14R1.4474 N[C@H](CC1=CC(=CC=C1O)O)C(=O)O MCULE-5110572243 [0,0,0,0,0,1|3,0,0]=4 66 B14R1.5971 CC1=CC=CC(=C1CC(N)C(=O)O)C MCULE-2803660056 [0,0,0,0,0,1|3,0,0]=4 67 B14R1.5971 CC1=CC=CC(=C1C[C@H](N)C(=O)O)C MCULE-5113879884 [0,0,0,0,0,1|3,0,0]=4 68 B14R1.5971 N[C@@H](CC1=C(C=CC=C1F)O)C(=O)O MCULE-7479664979 [0,0,0,0,0,1|3,0,0]=4 69 B14R1.5971 N[C@@H](CC1=C(C=CC=C1O)O)C(=O)O MCULE-7870259091 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-2221977105 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-4252889481 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-3561723067 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-7849285080 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-8240594688 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.35 NC(CC1=CNC=C1)C(=O)O MCULE-9864992308 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.35 NC(CC1=COC=C1)C(=O)O MCULE-9216668765 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.35 NC(CC1=CSC=C1)C(=O)O MCULE-9320828043 [2,0,0,0,0,0|1,1,0]=4 78 B11R1.35 NC(CC1=CSC=C1)C(=O)O MCULE-9372566296 [2,0,0,0,0,0|1,1,0]=4 79 B11R1.35 NC(CN1C=CN=C1)C(=O)O MCULE-2613680512 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O MCULE-2087791673 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.35 N[C@@H](CC1=CNC=C1)C(=O)O MCULE-7031820503 [2,0,0,0,0,0|1,0,1]=4 82 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-1840395119 [2,0,0,0,0,0|1,0,0]=3 83 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-2068883490 [2,0,0,0,0,0|1,0,0]=3 84 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-2075437924 [2,0,0,0,0,0|1,0,0]=3 85 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-5577531277 [2,0,0,0,0,0|1,0,0]=3 86 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O MCULE-1834983933 [2,0,0,0,0,0|1,1,0]=4 87 B11R1.35 N[C@@H](CN1C=CN=C1)C(=O)O MCULE-9858220492 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.35 N[C@H](CC1=CN=CS1)C(=O)O MCULE-8243476757 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.35 N[C@H](CC1=CNC=C1)C(=O)O MCULE-9800775235 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-2930337657 [2,0,0,0,0,0|1,0,0]=3 91 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-3084219342 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-4905195149 [2,0,0,0,0,0|1,0,0]=3 93 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-5383024553 [2,0,0,0,0,0|1,0,0]=3 94 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-1622837336 [2,0,0,0,0,0|1,1,0]=4 95 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-4992429415 [2,0,0,0,0,0|1,1,0]=4 96 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-8070611987 [2,0,0,0,0,0|1,1,0]=4 97 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-8506384635 [2,0,0,0,0,0|1,1,0]=4 98 B11R1.35 N[C@H](CN1C=CN=C1)C(=O)O MCULE-2628582629 [2,0,0,0,0,0|2,0,0]=4 99 B11R1.35 [C@H](N)(CC1=CSC=C1)C(=O)O MCULE-3699138278 [2,0,0,0,0,0|1,1,0]=4 100 B11R1.90 CC1=CN=CN1CCC(=O)O MCULE-5806413010 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.90 CN1C=NC=C1CCC(=O)O MCULE-6757787886 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.90 CN1C=NC=C1CCC(=O)O MCULE-9165044655 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.465 CCCCC1=C(ON=C1O)C MCULE-7959852572 [2,0,0,0,0,0|1,0,1]=4 104 B11R1.495 CC1=NOC(=C1CC(=O)N)C MCULE-2083217502 [2,0,0,0,0,0|1,0,1]=4 105 B11R1.495 CC1=NOC(=C1CC(C)N)C MCULE-6217981497 [2,0,0,0,0,0|1,0,1]=4 106 B13R1.704 COC(=O)C(N)CC1=CN=CN1C MCULE-4041428391 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.704 COC(=O)C(N)CC1=CN=CN1C MCULE-4051657005 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.2801 CCN1C=NC=C1C[C@H](N)C(=O)O MCULE-6666594551 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.2801 CCN1C=NC=C1C[C@H](N)C(=O)O MCULE-6935214570 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.5896 CC1=C(C=NN1C)CC(N)C(=O)O MCULE-4268561975 [1,1,0,0,0,0|1,0,0]=3 111 B13R1.5896 CC1=C(ON=C1O)C[C@@H](N)C(=O)O MCULE-7614933775 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.5896 CC1=C(ON=C1O)C[C@H](N)C(=O)O MCULE-8406387032 [1,1,0,0,0,0|2,0,0]=4 113 B13R1.2042 CC1=NOC(=C1CC/C(=N\O)/N)C MCULE-2954451447 [1,1,0,0,0,0|2,0,0]=4 114 B13R1.2042 COC(=O)CCC1=C(NN=C1C)C MCULE-6800883701 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.2042 COC(=O)CCC1=C(ON=C1C)C MCULE-6399365413 [1,1,0,0,0,0|1,0,0]=3 116 B13R1.3467 CC1=C(N(C(=N1)O)CCC(=O)O)C MCULE-5725279712 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.3467 CC1=NN(C(=C1CCC(=O)O)C)C MCULE-1730106829 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.3467 CC1=NN(C(=C1CCC(=O)O)C)C MCULE-2736096558 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.5887 CC1=NOC(=C1C(C)CC(=O)O)C MCULE-8207365507 [1,1,0,0,0,0|1,0,0]=3 120 B13R1.3488 CC1=NN(C(=C1C(N)C(=O)O)C)C MCULE-1785651430 [0,1,0,0,1,0|2,0,0]=4 121 B13R1.3488 CC1=NN(C(=C1C(N)C(=O)O)C)C MCULE-5085975616 [0,1,0,0,1,0|2,0,0]=4 122 B13R1.3488 CC1=NN(C(=C1C(N)C(=O)O)C)C MCULE-8994826461 [0,1,0,0,1,0|2,0,0]=4 123 B13R1.6336 CCC(C(=O)O)C1=C(ON=C1C)C MCULE-1288085679 [0,1,0,0,1,0|2,0,0]=4 124 B13R1.7550 CC1=NOC(=C1C(C)(C)C(=O)O)C MCULE-2737243783 [0,1,0,0,1,0|2,0,0]=4 125 B15R1.5513 COC(=O)[C@@H](N)CC1=C(C=CC(=C1)C)O MCULE-9308124234 [0,1,0,0,0,1|2,0,0]=4 126 B15R1.5513 COC(=O)[C@@H](N)CC1=CC(=CN=C1Cl)C MCULE-6870478850 [0,1,0,0,0,1|2,0,0]=4 127 B15R1.5513 COC(=O)[C@H](N)CC1=C(C=CC(=C1)C)O MCULE-8039811797 [0,1,0,0,0,1|2,0,0]=4 128 B15R1.5513 COC(=O)[C@H](N)CC1=CC(=CN=C1Cl)C MCULE-5492243385 [0,1,0,0,0,1|2,0,0]=4 129 B13R2.430 O=C(O)C1CCC2=C(C1)C=NN2 MCULE-5889735566 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.430 O=C(O)C1CN2C=NN=C2CN1 MCULE-3312647876 [1,0,0,1,0,0|2,0,0]=4 131 B13R2.430 O=C(O)C1CN2C=NN=C2CN1 MCULE-4172774230 [1,0,0,1,0,0|2,0,0]=4 132 B15R2.7174 O=C(O)C1CC2=CC(=CC=C2CN1)O MCULE-9994538164 [0,0,0,1,0,1|2,0,0]=4 133 B15R2.7174 O=C(O)[C@@H]1CC2=C(C=CC(=C2)O)CN1 MCULE-1770004260 [0,0,0,1,0,1|2,0,0]=4 134 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-1997175050 [1,0,0,0,0,1|2,0,0]=4 135 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-9587136551 [1,0,0,0,0,1|2,0,0]=4 136 B13R1.148 CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-8447730242 [1,0,0,0,0,1|2,0,0]=4 137 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5228247053 [1,0,0,0,0,1|2,0,0]=4 138 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8475369617 [1,0,0,0,0,1|2,0,0]=4 139 B13R1.148 CC1=CC=CC(=C1)CC(N)C(=O)O MCULE-1770281237 [1,0,0,0,0,1|2,0,0]=4 140 B13R1.148 CC1=CC=CC(=C1)C[C@@H](N)C(=O)O MCULE-8538987390 [1,0,0,0,0,1|2,0,0]=4 141 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1682126004 [1,0,0,0,0,1|2,0,0]=4 142 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1870924489 [1,0,0,0,0,1|2,0,0]=4 143 B13R1.148 NC(CC1=CC=CC(=C1)O)C(=O)O MCULE-7197195437 [1,0,0,0,0,1|2,0,0]=4 144 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-2356956274 [1,0,0,0,0,1|2,0,0]=4 145 B13R1.148 N[C@@H](CC1=CC(=CN=C1)F)C(=O)O MCULE-1217529300 [1,0,0,0,0,1|2,0,0]=4 146 B13R1.148 N[C@@H](CC1=CC(=CN=C1)F)C(=O)O MCULE-6320059944 [1,0,0,0,0,1|2,0,0]=4 147 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-2174973339 [1,0,0,0,0,1|2,0,0]=4 148 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-6923480945 [1,0,0,0,0,1|2,0,0]=4 149 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-8483193639 [1,0,0,0,0,1|2,0,0]=4 150 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-4455335179 [1,0,0,0,0,1|2,0,0]=4 151 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-6512619298 [1,0,0,0,0,1|2,0,0]=4 152 B13R1.3529 CC1=NOC(=C1CSCC(=O)O)C MCULE-6349179488 [1,0,0,0,0,1|1,0,0]=3