0 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,0,0,0,0,0|1,0,0]=1 2 B16R2.12 CC(=CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-9019172119 [0,0,0,0,0,0|1,0,2]=3 3 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O MCULE-5926856922 [0,0,0,0,0,0|3,0,0]=3 5 B16R2.12 CC(CN1C=NC2=CC=CC=C12)C(=O)O MCULE-3505705922 [0,0,0,0,0,0|2,0,1]=3 6 B16R2.12 CC(CN1N=CC2=C1C=CC=C2)C(=O)O MCULE-3626269889 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.12 CC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-4102430131 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.12 CC(NC1=NCC2=CC=CC=C12)C(=O)O MCULE-7423471641 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.12 CC(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-5963536990 [0,0,0,0,0,0|2,0,1]=3 10 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,0,0,0,0,0|2,0,0]=2 11 B16R2.12 C[C@H](NC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3072834173 [0,0,0,0,0,0|3,0,0]=3 12 B16R2.12 C[C@H](NC1=CSC2=CC=CC=C12)C(=O)O MCULE-4939358545 [0,0,0,0,0,0|3,0,0]=3 13 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,0,0,0,0,0|1,0,0]=1 14 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,0,0,0,0,0|1,0,0]=1 15 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,0,0,0,0,0|1,0,0]=1 16 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,0,0,0,0,0|1,0,0]=1 17 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,0,0,0,0,0|1,0,0]=1 18 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,0,0,0,0,0|1,0,0]=1 19 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,0,0,0,0,0|2,0,0]=2 20 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,0,0,0,0,0|0,0,0]=0 21 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,0,0,0,0,0|1,0,0]=1 22 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,0,0,0,0,0|1,0,0]=1 23 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,0,0,0,0,0|1,0,0]=1 24 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O MCULE-9264840769 [0,0,0,0,0,0|2,0,0]=2 25 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,0,0,0,0,0|1,0,0]=1 26 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,0,0,0,0,0|1,0,0]=1 27 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,0,0,0,0,0|1,0,0]=1 28 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,0,0,0,0,0|1,0,0]=1 29 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O MCULE-5808639127 [0,0,0,0,0,0|1,0,1]=2 30 B16R2.12 NC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-9996063121 [0,0,0,0,0,0|2,0,1]=3 31 B16R2.12 N[C@@H](CC1=C2C=CNC=C2N=C1)C(=O)O MCULE-7476750105 [0,0,0,0,0,0|1,0,1]=2 32 B16R2.12 N[C@@H](CC1=C2NC=CC=C2N=C1)C(=O)O MCULE-9698297023 [0,0,0,0,0,0|1,0,1]=2 33 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,0,0,0,0,0|0,0,0]=0 34 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,0,0,0,0,0|0,0,0]=0 35 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,0,0,0,0,0|1,0,0]=1 36 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,0,0,0,0,0|1,0,0]=1 37 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,0,0,0,0,0|1,0,0]=1 38 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,0,0,0,0,0|1,0,0]=1 39 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,0,0,0,0,0|1,0,0]=1 40 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,0,0,0,0,0|1,0,0]=1 41 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,0,0,0,0,0|1,0,0]=1 42 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,0,0,0,0,0|1,0,0]=1 43 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,0,0,0,0,0|1,0,0]=1 44 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,0,0,0,0,0|1,0,0]=1 45 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-7595639482 [0,0,0,0,0,0|2,0,1]=3 46 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8773290838 [0,0,0,0,0,0|2,0,1]=3 47 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8783403149 [0,0,0,0,0,0|2,0,1]=3 48 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8945946277 [0,0,0,0,0,0|2,0,1]=3 49 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,0,0,0,0,0|0,0,0]=0 50 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,0,0,0,0,0|1,0,0]=1 51 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,0,0,0,0,0|0,0,0]=0 52 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,0,0,0,0,0|0,0,0]=0 53 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,0,0,0,0,0|1,0,0]=1 54 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,0,0,0,0,0|1,0,0]=1 55 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,0,0,0,0,0|1,0,0]=1 56 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,0,0,0,0,0|1,0,0]=1 57 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,0,0,0,0,0|1,0,0]=1 58 B16R2.12 O=C(O)C(=CC1=CNC2=CC=CC=C12)S MCULE-5398915682 [0,0,0,0,0,0|1,0,2]=3 59 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,0,0,0,0,0|1,0,1]=2 60 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,0,0,0,0,0|1,0,0]=1 61 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,0,0,0,0,0|1,0,0]=1 62 B15R2.4 CCC(N)CC1=CNC2=C1C=CC=C2 MCULE-5651076502 [1,0,0,0,0,0|1,0,1]=3 63 B15R2.4 CCC(N)CC1=CNC2=C1C=CC=C2 MCULE-8710039661 [1,0,0,0,0,0|1,0,1]=3 64 B15R2.4 CCC(N)CC1=CNC2=CC=CC=C12 MCULE-7617108096 [1,0,0,0,0,0|1,0,1]=3 65 B15R2.4 CC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2042856337 [1,0,0,0,0,0|1,0,1]=3 66 B15R2.4 CC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9961177523 [1,0,0,0,0,0|1,0,1]=3 67 B15R2.4 CNC(C)CC1=CNC2=C1C=CC=C2 MCULE-7812720422 [1,0,0,0,0,0|3,0,0]=4 68 B15R2.4 N/C(=N/O)/CC1=CNC2=C1C=CC=C2 MCULE-3765624297 [1,0,0,0,0,0|1,0,1]=3 69 B15R2.4 N/C(=N\O)/CC1=CSC2=CC=CC=C12 MCULE-6364420236 [1,0,0,0,0,0|2,0,1]=4 70 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4101569242 [1,0,0,0,0,0|0,0,1]=2 71 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4419819481 [1,0,0,0,0,0|0,0,1]=2 72 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-8757853264 [1,0,0,0,0,0|0,0,1]=2 73 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-5057169498 [1,0,0,0,0,0|0,0,1]=2 74 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-6263792283 [1,0,0,0,0,0|0,0,1]=2 75 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-7147570312 [1,0,0,0,0,0|0,0,1]=2 76 B15R2.4 N[C@@H](CO)CC1=CNC2=CC=CC=C12 MCULE-9591598328 [1,0,0,0,0,0|0,0,1]=2 77 B15R2.4 N[C@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-1258780591 [1,0,0,0,0,0|0,0,1]=2 78 B15R2.4 [C@@H](N)(CO)CC1=CNC2=C1C=CC=C2 MCULE-7424777740 [1,0,0,0,0,0|0,0,1]=2 79 B15R2.6 CC(=O)C=CC1=CNC2=CC=CC=C12 MCULE-1503677397 [1,0,0,0,0,0|1,0,2]=4 80 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [1,0,0,0,0,0|1,0,0]=2 81 B15R2.6 CC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-3225504435 [1,0,0,0,0,0|2,0,1]=4 82 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [1,0,0,0,0,0|2,0,0]=3 83 B15R2.6 CN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1451594833 [1,0,0,0,0,0|3,0,0]=4 84 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [1,0,0,0,0,0|1,0,0]=2 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B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [1,0,0,0,0,0|0,0,2]=3 99 B15R2.6 O=C(O)CCC1N=CC2=CC=CC=C12 MCULE-9471558672 [1,0,0,0,0,0|2,0,1]=4 100 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [1,0,0,0,0,0|2,0,0]=3 101 B15R2.6 O=C(O)CCN1C=CC2=CC=CN=C12 MCULE-5269994729 [1,0,0,0,0,0|3,0,0]=4 102 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [1,0,0,0,0,0|1,0,1]=3 103 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [1,0,0,0,0,0|1,0,1]=3 104 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [1,0,0,0,0,0|1,0,1]=3 105 B15R2.6 O=C(O)CCN1CCC2=C1C=CC=C2 MCULE-1199479089 [1,0,0,0,0,0|2,0,1]=4 106 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 MCULE-4830644797 [1,0,0,0,0,0|3,0,0]=4 107 B15R2.6 O=C(O)CCN1N=NC2=C1C=CC=C2 MCULE-8188700361 [1,0,0,0,0,0|2,0,1]=4 108 B15R2.6 O=C(O)CNC1=NCC2=C1C=CC=C2 MCULE-9135692160 [1,0,0,0,0,0|3,0,0]=4 109 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [1,0,0,0,0,0|2,0,0]=3 110 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [1,0,0,0,0,0|1,0,0]=2 111 B15R2.6 O=C([O-])C=CC1=CNC2=CC=CC=C12 MCULE-2887903829 [1,0,0,0,0,0|0,0,3]=4 112 B17R2.7 CNC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4418170102 [0,1,0,0,0,0|1,0,0]=2 113 B17R2.7 CNC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8806874695 [0,1,0,0,0,0|1,0,0]=2 114 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-2035601601 [0,1,0,0,0,0|1,0,0]=2 115 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-6400798643 [0,1,0,0,0,0|1,0,0]=2 116 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-1180328243 [0,1,0,0,0,0|1,0,0]=2 117 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-7472928093 [0,1,0,0,0,0|1,0,0]=2 118 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-1375533696 [0,1,0,0,0,0|0,0,0]=1 119 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4257766936 [0,1,0,0,0,0|0,0,0]=1 120 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6127245906 [0,1,0,0,0,0|0,0,0]=1 121 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6598811236 [0,1,0,0,0,0|0,0,0]=1 122 B17R2.7 COC(=O)C(N)CC1=CNC2=NC=CC=C12 MCULE-9983960597 [0,1,0,0,0,0|1,0,0]=2 123 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-3606983263 [0,1,0,0,0,0|0,0,0]=1 124 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4257219539 [0,1,0,0,0,0|0,0,0]=1 125 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-5014804775 [0,1,0,0,0,0|0,0,0]=1 126 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9077719590 [0,1,0,0,0,0|0,0,0]=1 127 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7078756778 [0,1,0,0,0,0|0,0,0]=1 128 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8527952510 [0,1,0,0,0,0|0,0,0]=1 129 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-7129192240 [0,1,0,0,0,0|0,0,0]=1 130 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-9568756958 [0,1,0,0,0,0|0,0,0]=1 131 B17R2.138 CC(C)(CC1=CNC2=C1C=CC=C2)N(=O)=O MCULE-1825726553 [0,1,0,0,0,0|2,0,1]=4 132 B17R2.138 CC(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1093341027 [0,1,0,0,0,0|0,0,0]=1 133 B17R2.138 CC(N)(CC1=CSC2=CC=CC=C12)C(=O)O MCULE-2962241833 [0,1,0,0,0,0|1,0,0]=2 134 B17R2.138 C[C@@](N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5227549219 [0,1,0,0,0,0|0,0,0]=1 135 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-1032417051 [0,1,0,0,0,0|0,0,0]=1 136 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9776911359 [0,1,0,0,0,0|0,0,0]=1 137 B17R2.289 CCC(CC1=CNC2=C1C=CC=C2)N(=O)=O MCULE-9130538759 [0,1,0,0,0,0|2,0,1]=4 138 B17R2.289 CCC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4925106628 [0,1,0,0,0,0|2,0,0]=3 139 B17R2.289 CNC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7141702170 [0,1,0,0,0,0|0,0,0]=1 140 B17R2.289 CN[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8843389672 [0,1,0,0,0,0|0,0,0]=1 141 B17R2.289 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-5394077858 [0,1,0,0,0,0|0,0,0]=1 142 B17R2.289 N#C/C(=C/C1=CNC2=CC=CC=C12)/C(=O)O MCULE-4152302191 [0,1,0,0,0,0|0,0,3]=4 143 B17R2.289 N#CC(=CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4794067798 [0,1,0,0,0,0|0,0,3]=4 144 B17R2.289 N#CC(CC1=CNC2=C1C=CC=C2)C(=O)N MCULE-8703390224 [0,1,0,0,0,0|1,0,1]=3 145 B17R2.2473 NC(CC1=CNC2=C1C=CC=C2)C(F)(F)F MCULE-3828066004 [0,1,0,0,0,0|2,0,1]=4 146 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 MCULE-2703698596 [0,1,0,0,0,0|2,0,1]=4 147 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 MCULE-6277286034 [0,1,0,0,0,0|2,0,1]=4 148 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-9937852409 [0,1,0,0,0,0|0,0,0]=1 149 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-1824211633 [0,1,0,0,0,0|0,0,0]=1 150 B17R2.3450 CC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-4659596714 [0,1,0,0,0,0|0,0,0]=1 151 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-6605711747 [0,1,0,0,0,0|0,0,0]=1 152 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-2906491763 [0,1,0,0,0,0|0,0,0]=1 153 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-1286010028 [0,1,0,0,0,0|0,0,0]=1 154 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-8867932631 [0,1,0,0,0,0|0,0,0]=1 155 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-1940415794 [0,1,0,0,0,0|0,0,0]=1 156 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-7527258915 [0,1,0,0,0,0|0,0,0]=1 157 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-4976314095 [0,1,0,0,0,0|0,0,0]=1 158 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-7358605304 [0,1,0,0,0,0|0,0,0]=1 159 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-6992128303 [0,1,0,0,0,0|0,0,0]=1 160 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-7013255700 [0,1,0,0,0,0|0,0,0]=1 161 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-5715446634 [0,1,0,0,0,0|0,0,0]=1 162 B17R2.3450 N[C@@H](CC1=CNC2=CC(=CC=C12)O)C(=O)O MCULE-8633803305 [0,1,0,0,0,0|0,0,0]=1 163 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-3985180412 [0,1,0,0,0,0|0,0,0]=1 164 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-5384453816 [0,1,0,0,0,0|0,0,0]=1 165 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-5639441116 [0,1,0,0,0,0|0,0,0]=1 166 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-3546576587 [0,1,0,0,0,0|0,0,0]=1 167 B17R2.3450 N[C@H](CC1=CNC2=CC(=CC=C12)Cl)C(=O)O MCULE-1070734277 [0,1,0,0,0,0|0,0,0]=1 168 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)CC(N)C(=O)O MCULE-2857724640 [0,1,0,0,0,0|0,0,0]=1 169 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2355294933 [0,1,0,0,0,0|0,0,0]=1 170 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2985230411 [0,1,0,0,0,0|0,0,0]=1 171 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-1639302413 [0,1,0,0,0,0|0,0,0]=1 172 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-6032761384 [0,1,0,0,0,0|0,0,0]=1 173 B17R2.5003 CC1=NC2=CC=CC=C2N1CC(C)C(=O)O MCULE-3236059456 [0,1,0,0,0,0|2,0,1]=4 174 B17R2.5003 CC1=NC2=CC=CC=C2N1CC(C)C(=O)O MCULE-6009348437 [0,1,0,0,0,0|2,0,1]=4 175 B17R2.5003 NC(CC1C(=O)NC2=C1C=CC=C2)C(=O)O MCULE-9798850281 [0,1,0,0,0,0|0,0,1]=2 176 B17R2.5003 NC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-1995184018 [0,1,0,0,0,0|0,0,0]=1 177 B17R2.5003 N[C@@H](CC1=C(NC2=CC=CC=C12)O)C(=O)O MCULE-1906654680 [0,1,0,0,0,0|0,0,0]=1 178 B17R2.5003 N[C@H](CC1=C(NC2=C1C=CC=C2)O)C(=O)O MCULE-8342568055 [0,1,0,0,0,0|0,0,0]=1 179 B17R2.25461 CC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-3634656065 [0,1,0,0,0,0|1,0,0]=2 180 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-2443598072 [0,1,0,0,0,0|0,0,0]=1 181 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7738289225 [0,1,0,0,0,0|0,0,0]=1 182 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-9418864808 [0,1,0,0,0,0|0,0,0]=1 183 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1225448414 [0,1,0,0,0,0|0,0,0]=1 184 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-2949078767 [0,1,0,0,0,0|0,0,0]=1 185 B17R2.25461 C[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1715365498 [0,1,0,0,0,0|1,0,0]=2 186 B17R2.25461 C[C@@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-2588526884 [0,1,0,0,0,0|3,0,0]=4 187 B17R2.25461 C[C@@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-6406587561 [0,1,0,0,0,0|3,0,0]=4 188 B17R2.25461 C[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5693385009 [0,1,0,0,0,0|1,0,0]=2 189 B17R2.25461 C[C@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-3348558853 [0,1,0,0,0,0|3,0,0]=4 190 B17R2.25461 C[C@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-9986063370 [0,1,0,0,0,0|3,0,0]=4 191 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-5918144303 [0,1,0,0,0,0|0,0,0]=1 192 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3783698618 [0,1,0,0,0,0|0,0,0]=1 193 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9875335869 [0,1,0,0,0,0|0,0,0]=1 194 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-6908956290 [0,1,0,0,0,0|0,0,0]=1 195 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-7475889550 [0,1,0,0,0,0|0,0,0]=1 196 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)I)C(=O)O MCULE-9649598054 [0,1,0,0,0,0|0,0,0]=1 197 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-6968549091 [0,1,0,0,0,0|0,0,0]=1 198 B17R2.25461 NC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-9494452708 [0,1,0,0,0,0|0,0,0]=1 199 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3333270561 [0,1,0,0,0,0|0,0,0]=1 200 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4194224675 [0,1,0,0,0,0|0,0,0]=1 201 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-5060457989 [0,1,0,0,0,0|0,0,0]=1 202 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9786648522 [0,1,0,0,0,0|0,0,0]=1 203 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5561117420 [0,1,0,0,0,0|0,0,0]=1 204 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-8287323983 [0,1,0,0,0,0|0,0,0]=1 205 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-1328548007 [0,1,0,0,0,0|0,0,0]=1 206 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3967393456 [0,1,0,0,0,0|0,0,0]=1 207 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4635672735 [0,1,0,0,0,0|0,0,0]=1 208 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1588677250 [0,1,0,0,0,0|0,0,0]=1 209 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-4149427296 [0,1,0,0,0,0|0,0,0]=1 210 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O MCULE-2691432843 [0,1,0,0,0,0|0,0,0]=1 211 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-3362841625 [0,1,0,0,0,0|0,0,0]=1 212 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-8672178602 [0,1,0,0,0,0|0,0,0]=1 213 B17R2.25461 O=C(O)/C(=C/C1=CNC2=C1C=C(C=C2)F)/S MCULE-4310920540 [0,1,0,0,0,0|1,0,2]=4 214 B17R2.25461 O=C(O)C(=CC1=CNC2=C1C=C(C=C2)F)S MCULE-2277570261 [0,1,0,0,0,0|1,0,2]=4 215 B17R2.25461 [C@H](N)(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-7974218863 [0,1,0,0,0,0|0,0,0]=1 216 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3164724457 [0,1,0,0,0,0|0,0,0]=1 217 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3535314200 [0,1,0,0,0,0|0,0,0]=1 218 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@@H](N)C(=O)O MCULE-2917178207 [0,1,0,0,0,0|0,0,0]=1 219 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-2282796001 [0,1,0,0,0,0|0,0,0]=1 220 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-7459867675 [0,1,0,0,0,0|0,0,0]=1 221 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6596607370 [0,1,0,0,0,0|0,0,0]=1 222 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-4785714748 [0,1,0,0,0,0|0,0,0]=1 223 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-7551772366 [0,1,0,0,0,0|0,0,0]=1 224 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-2444975774 [0,1,0,0,0,0|0,0,0]=1 225 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-1850008985 [0,1,0,0,0,0|0,0,0]=1 226 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-4657811205 [0,1,0,0,0,0|0,0,0]=1 227 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2O)C(=O)O MCULE-3480630187 [0,1,0,0,0,0|0,0,0]=1 228 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-2706903351 [0,1,0,0,0,0|0,0,0]=1 229 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6965964776 [0,1,0,0,0,0|0,0,0]=1 230 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-3378344305 [0,1,0,0,0,0|0,0,0]=1 231 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3743607795 [0,1,0,0,0,0|0,0,0]=1 232 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-9761111560 [0,1,0,0,0,0|0,0,0]=1 233 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2F)C(=O)O MCULE-1137381744 [0,1,0,0,0,0|0,0,0]=1 234 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-3304468746 [0,1,0,0,0,0|0,0,0]=1 235 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6816615537 [0,1,0,0,0,0|0,0,0]=1 236 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-1537250123 [0,1,0,0,0,0|0,0,0]=1 237 B17R2.37147 N[C@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3664115172 [0,1,0,0,0,0|0,0,0]=1 238 B17R2.37552 CC1=C2C(=CNC2=CC=C1)CC(N)C(=O)O MCULE-3450403426 [0,1,0,0,0,0|0,0,0]=1 239 B17R2.37552 CC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O MCULE-7669211774 [0,1,0,0,0,0|0,0,0]=1 240 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9183830250 [0,1,0,0,0,0|0,0,0]=1 241 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9713571719 [0,1,0,0,0,0|0,0,0]=1 242 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-7572211598 [0,1,0,0,0,0|0,0,0]=1 243 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-8809191037 [0,1,0,0,0,0|0,0,0]=1 244 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3710888909 [0,1,0,0,0,0|0,0,0]=1 245 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5876038008 [0,1,0,0,0,0|0,0,0]=1 246 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-8052472538 [0,1,0,0,0,0|0,0,0]=1 247 B17R2.37552 NC(CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-8458955793 [0,1,0,0,0,0|0,0,0]=1 248 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-6419206552 [0,1,0,0,0,0|0,0,0]=1 249 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-8687655498 [0,1,0,0,0,0|0,0,0]=1 250 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-5535555262 [0,1,0,0,0,0|0,0,0]=1 251 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-7896753105 [0,1,0,0,0,0|0,0,0]=1 252 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-2776991776 [0,1,0,0,0,0|0,0,0]=1 253 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-4848944007 [0,1,0,0,0,0|0,0,0]=1 254 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-3901457897 [0,1,0,0,0,0|0,0,0]=1 255 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-7147285849 [0,1,0,0,0,0|0,0,0]=1 256 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3435001533 [0,1,0,0,0,0|0,0,0]=1 257 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-5473935751 [0,1,0,0,0,0|0,0,0]=1 258 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-9400287128 [0,1,0,0,0,0|0,0,0]=1 259 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-1602631164 [0,1,0,0,0,0|0,0,0]=1 260 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5300561098 [0,1,0,0,0,0|0,0,0]=1 261 B17R2.37552 N[C@H](CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-5221063985 [0,1,0,0,0,0|0,0,0]=1 262 B17R2.45515 CC(C1=CNC2=C1C=CC=C2)C(O)C(=O)O MCULE-6640012615 [0,1,0,0,0,0|1,0,0]=2 263 B17R2.78536 C(N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-1625887826 [0,1,0,0,0,0|0,0,0]=1 264 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@@H](N)C(=O)O MCULE-1710860862 [0,1,0,0,0,0|0,0,0]=1 265 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-4599117696 [0,1,0,0,0,0|0,0,0]=1 266 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-6954327922 [0,1,0,0,0,0|0,0,0]=1 267 B17R2.78536 [C@@H](N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-5120236173 [0,1,0,0,0,0|0,0,0]=1 268 B15R1.87 COC1=CC=CC=C1CCC(N)C(=O)O MCULE-7903292913 [0,0,1,0,0,0|1,0,2]=4 269 B15R1.87 COC1=CC=CC=C1CC[C@@H](N)C(=O)O MCULE-2850635074 [0,0,1,0,0,0|1,0,2]=4 270 B15R1.87 COC1=CC=CC=C1CC[C@H](N)C(=O)O MCULE-3854583154 [0,0,1,0,0,0|1,0,2]=4 271 B15R1.3664 NC(CCOCC1=CC=CC=C1)C(=O)O MCULE-7591289840 [0,0,1,0,0,0|2,0,1]=4 272 B15R1.3664 NC(CSCCC1=CC=CC=C1)C(=O)O MCULE-8354917973 [0,0,1,0,0,0|2,0,1]=4 273 B15R1.3664 N[C@@H](CCCCC1=CC=CC=C1)C(=O)O MCULE-3310541657 [0,0,1,0,0,0|1,0,2]=4 274 B15R1.3664 N[C@@H](CCOCC1=CC=CC=C1)C(=O)O MCULE-1203472723 [0,0,1,0,0,0|2,0,1]=4 275 B15R1.3664 N[C@@H](CCOCC1=CC=CC=C1)C(=O)O MCULE-8235770160 [0,0,1,0,0,0|2,0,1]=4 276 B15R1.3664 N[C@@H](CCSCC1=CC=CC=C1)C(=O)O MCULE-9140009895 [0,0,1,0,0,0|2,0,1]=4 277 B15R1.3664 N[C@H](CCCCC1=CC=CC=C1)C(=O)O MCULE-2395501189 [0,0,1,0,0,0|1,0,2]=4 278 B15R1.3664 N[C@H](CCCCC1=CC=CC=C1)C(=O)O MCULE-8813639278 [0,0,1,0,0,0|1,0,2]=4 279 B15R1.3664 N[C@H](CCOCC1=CC=CC=C1)C(=O)O MCULE-7040824062 [0,0,1,0,0,0|2,0,1]=4 280 B15R1.5793 CC(CC(=O)C1=C(C=CC=C1)F)C(=O)O MCULE-5553807204 [0,0,1,0,0,0|3,0,0]=4 281 B15R1.5793 CC(NC(=O)C1=CC=CC=C1N)C(=O)O MCULE-8424560776 [0,0,1,0,0,0|3,0,0]=4 282 B15R1.5793 NC1=C(C=CC=C1)C(=O)CC(N)C(=O)O MCULE-6365994952 [0,0,1,0,0,0|1,0,0]=2 283 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-3000532519 [0,0,1,0,0,0|1,0,0]=2 284 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-4921407586 [0,0,1,0,0,0|1,0,0]=2 285 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@H](N)C(=O)O MCULE-9931264693 [0,0,1,0,0,0|1,0,0]=2 286 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O MCULE-5768672194 [0,0,1,0,0,0|1,0,0]=2 287 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-4252266743 [0,0,1,0,0,0|1,0,0]=2 288 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-6921924741 [0,0,1,0,0,0|1,0,0]=2 289 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-2954767871 [0,0,1,0,0,0|1,0,0]=2 290 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-3184741194 [0,0,1,0,0,0|1,0,0]=2 291 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-5938770114 [0,0,1,0,0,0|1,0,0]=2 292 B15R1.5793 N[C@H](CC(=O)C1=CC=CC=C1O)C(=O)O MCULE-9198472086 [0,0,1,0,0,0|2,0,0]=3 293 B17R3.65033 O=C(O)C1=CC2=C(N1)NC3=CC=CC=C23 MCULE-2332208189 [0,0,0,1,0,0|0,0,2]=3 294 B17R3.65033 O=C(O)C1CC2=C(C1)C3=C(N2)C=CC=C3 MCULE-4512034780 [0,0,0,1,0,0|1,0,0]=2 295 B15R2.1255 CC(C(=O)O)N1C=CC2=CC=CC=C12 MCULE-7771418365 [0,0,0,0,1,0|3,0,0]=4 296 B15R2.1255 CC(C(=O)O)N1C=NC2=C1C=CC=C2 MCULE-6976772317 [0,0,0,0,1,0|2,0,1]=4 297 B15R2.1255 CC(C(=O)O)N1C=[NH+]C2=CC=CC=C12 MCULE-5454710476 [0,0,0,0,1,0|2,0,1]=4 298 B15R2.1255 C[C@@H](C(=O)O)N1C=CC2=C1C=CC=C2 MCULE-3855599730 [0,0,0,0,1,0|3,0,0]=4 299 B15R2.1255 NC(=O)C(=O)C1=CNC2=C1C=CC=C2 MCULE-8079887802 [0,0,0,0,1,0|2,0,1]=4 300 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-5090588064 [0,0,0,0,1,0|2,0,0]=3 301 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-8006798471 [0,0,0,0,1,0|2,0,0]=3 302 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-3418323043 [0,0,0,0,1,0|0,0,0]=1 303 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=N2 MCULE-6611768328 [0,0,0,0,1,0|1,0,0]=2 304 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 MCULE-4920469862 [0,0,0,0,1,0|1,0,2]=4 305 B15R2.1255 N[C@@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-2395300273 [0,0,0,0,1,0|2,0,1]=4 306 B15R2.1255 N[C@@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-6931434908 [0,0,0,0,1,0|2,0,1]=4 307 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2652998695 [0,0,0,0,1,0|0,0,0]=1 308 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C12 MCULE-9368537487 [0,0,0,0,1,0|0,0,0]=1 309 B15R2.1255 N[C@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-3704525825 [0,0,0,0,1,0|2,0,1]=4 310 B15R2.1255 N[C@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-9778409025 [0,0,0,0,1,0|2,0,1]=4 311 B15R2.1255 O=C(Cl)C(=O)C1=CNC2=C1C=CC=C2 MCULE-9933419210 [0,0,0,0,1,0|2,0,1]=4 312 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 MCULE-3151156759 [0,0,0,0,1,0|1,0,1]=3 313 B15R2.1255 O=C(O)C(=O)C1=CNC2=NC=CC=C12 MCULE-4578394025 [0,0,0,0,1,0|2,0,1]=4 314 B15R2.1255 O=C(O)C(Br)C1=NOC2=CC=CC=C12 MCULE-4791446111 [0,0,0,0,1,0|3,0,0]=4 315 B15R2.1255 [NH3+][C@@H](C(=O)[O-])C1=CNC2=C1C=CC=C2 MCULE-2623705486 [0,0,0,0,1,0|0,0,2]=3 316 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [0,0,0,0,0,1|0,0,0]=1 317 B17R2.39 CC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-3550791751 [0,0,0,0,0,1|2,0,0]=3 318 B17R2.39 CC(CC1=CNC2=C1C=CC=C2)NC(=O)N MCULE-7752352556 [0,0,0,0,0,1|2,0,0]=3 319 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [0,0,0,0,0,1|0,0,0]=1 320 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [0,0,0,0,0,1|0,0,0]=1 321 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-5115224173 [0,0,0,0,0,1|1,0,0]=2 322 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-9379962356 [0,0,0,0,0,1|1,0,0]=2 323 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [0,0,0,0,0,1|0,0,0]=1 324 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [0,0,0,0,0,1|0,0,0]=1 325 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [0,0,0,0,0,1|0,0,0]=1 326 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [0,0,0,0,0,1|0,0,0]=1 327 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-2867145195 [0,0,0,0,0,1|1,0,0]=2 328 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-6646879167 [0,0,0,0,0,1|1,0,0]=2 329 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3636493320 [0,0,0,0,0,1|1,0,0]=2 330 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-7630794072 [0,0,0,0,0,1|1,0,0]=2 331 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [0,0,0,0,0,1|0,0,0]=1 332 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [0,0,0,0,0,1|0,0,0]=1 333 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [0,0,0,0,0,1|0,0,0]=1 334 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [0,0,0,0,0,1|0,0,0]=1 335 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-1597107796 [0,0,0,0,0,1|1,0,0]=2 336 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-3864990170 [0,0,0,0,0,1|1,0,0]=2 337 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3053632532 [0,0,0,0,0,1|1,0,0]=2 338 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-4953969691 [0,0,0,0,0,1|1,0,0]=2 339 B17R2.9167 CC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-2645994732 [0,0,0,0,0,1|2,0,0]=3 340 B17R2.9167 CC(CC1=NC2=C(C=CC=C2)N=C1)C(=O)O MCULE-5974144131 [0,0,0,0,0,1|1,0,1]=3 341 B17R2.9167 CC(OC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-4185766300 [0,0,0,0,0,1|3,0,0]=4 342 B17R2.9167 CC(SC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-2556584905 [0,0,0,0,0,1|3,0,0]=4 343 B17R2.9167 CC(SC1=NC2=C(C=CC=C2)N=C1)C(=O)O MCULE-2599768282 [0,0,0,0,0,1|2,0,1]=4 344 B17R2.9167 C[C@H](OC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1408013718 [0,0,0,0,0,1|3,0,0]=4 345 B17R2.9167 NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 MCULE-2074984558 [0,0,0,0,0,1|2,0,0]=3 346 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-6952461288 [0,0,0,0,0,1|1,0,0]=2 347 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-9711104731 [0,0,0,0,0,1|1,0,0]=2 348 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6903330528 [0,0,0,0,0,1|1,0,0]=2 349 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7107565830 [0,0,0,0,0,1|1,0,0]=2 350 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-8062406666 [0,0,0,0,0,1|1,0,0]=2 351 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-4097504210 [0,0,0,0,0,1|1,0,0]=2 352 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5929822596 [0,0,0,0,0,1|1,0,0]=2 353 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6838251171 [0,0,0,0,0,1|1,0,0]=2 354 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7044608619 [0,0,0,0,0,1|1,0,0]=2 355 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3308554372 [0,0,0,0,0,1|1,0,0]=2 356 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5015802007 [0,0,0,0,0,1|1,0,0]=2 357 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-7964984777 [0,0,0,0,0,1|1,0,0]=2 358 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-9822109349 [0,0,0,0,0,1|1,0,0]=2 359 B17R2.9167 N[C@@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-2235392937 [0,0,0,0,0,1|1,0,0]=2 360 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1713629999 [0,0,0,0,0,1|1,0,0]=2 361 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-6228267929 [0,0,0,0,0,1|1,0,0]=2 362 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-5020668122 [0,0,0,0,0,1|1,0,0]=2 363 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-9553125479 [0,0,0,0,0,1|1,0,0]=2 364 B17R2.9167 N[C@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3603574921 [0,0,0,0,0,1|1,0,0]=2 365 B17R2.9167 N[C@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-3393121490 [0,0,0,0,0,1|1,0,0]=2 366 B17R2.9167 O=C(O)C(=O)CC1=CC2=C(C=CC=C2)C=C1 MCULE-9220487829 [0,0,0,0,0,1|2,0,1]=4 367 B17R2.520754 CC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1824482825 [0,0,0,0,0,1|2,0,0]=3 368 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-1307398874 [0,0,0,0,0,1|1,0,1]=3 369 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-5466494858 [0,0,0,0,0,1|1,0,1]=3 370 B17R2.520754 CC(CC1=C2C=CC=CC2=NC=C1)C(=O)O MCULE-5939849585 [0,0,0,0,0,1|1,0,1]=3 371 B17R2.520754 CC(NC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-2743350618 [0,0,0,0,0,1|3,0,0]=4 372 B17R2.520754 CC(NC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-5005264095 [0,0,0,0,0,1|2,0,1]=4 373 B17R2.520754 CC(NC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-9059979648 [0,0,0,0,0,1|2,0,1]=4 374 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1240706645 [0,0,0,0,0,1|3,0,0]=4 375 B17R2.520754 CC(SC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-2881385608 [0,0,0,0,0,1|2,0,1]=4 376 B17R2.520754 C[C@H](NC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8611812916 [0,0,0,0,0,1|3,0,0]=4 377 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1682014366 [0,0,0,0,0,1|1,0,0]=2 378 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7621787279 [0,0,0,0,0,1|1,0,0]=2 379 B17R2.520754 NC(CC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-4033199506 [0,0,0,0,0,1|1,0,0]=2 380 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-2185623458 [0,0,0,0,0,1|0,0,1]=2 381 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-4349632846 [0,0,0,0,0,1|0,0,1]=2 382 B17R2.520754 NC(CN1CCCC2=C1C=CC=C2)C(=O)O MCULE-6175983409 [0,0,0,0,0,1|2,0,1]=4 383 B17R2.520754 NC(CN1CCCC2=C1C=CC=C2)C(=O)O MCULE-9626114838 [0,0,0,0,0,1|2,0,1]=4 384 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4205242976 [0,0,0,0,0,1|1,0,0]=2 385 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4718361306 [0,0,0,0,0,1|1,0,0]=2 386 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7852162590 [0,0,0,0,0,1|1,0,0]=2 387 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8754238893 [0,0,0,0,0,1|1,0,0]=2 388 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3259277930 [0,0,0,0,0,1|0,0,1]=2 389 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6271768059 [0,0,0,0,0,1|0,0,1]=2 390 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6636488216 [0,0,0,0,0,1|0,0,1]=2 391 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6922954844 [0,0,0,0,0,1|0,0,1]=2 392 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2667281684 [0,0,0,0,0,1|1,0,0]=2 393 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4503526156 [0,0,0,0,0,1|1,0,0]=2 394 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8782361400 [0,0,0,0,0,1|1,0,0]=2 395 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-9955614853 [0,0,0,0,0,1|1,0,0]=2 396 B17R2.520754 N[C@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3795682049 [0,0,0,0,0,1|0,0,1]=2 397 B14R1.161 CC1=CC=CC=C1CCC(N)C(=O)O MCULE-3313728333 [1,0,1,0,0,0|0,0,2]=4 398 B14R1.161 CC1=CC=CC=C1CC[C@@H](N)C(=O)O MCULE-8729689255 [1,0,1,0,0,0|0,0,2]=4 399 B14R1.161 CC1=CC=CC=C1CC[C@H](N)C(=O)O MCULE-4824292330 [1,0,1,0,0,0|0,0,2]=4 400 B14R1.161 CC1=CC=CC=C1SCC(N)C(=O)O MCULE-5388935493 [1,0,1,0,0,0|1,0,1]=4 401 B14R1.161 NC(CCC1=C(C=CC=C1)Cl)C(=O)O MCULE-2778189696 [1,0,1,0,0,0|1,0,1]=4 402 B14R1.161 NC(CCC1=CC=CC=C1O)C(=O)O MCULE-2969125555 [1,0,1,0,0,0|1,0,1]=4 403 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-7011799987 [1,0,1,0,0,0|1,0,1]=4 404 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-9761104054 [1,0,1,0,0,0|1,0,1]=4 405 B14R1.161 N[C@@H](CCC1=CC=CC=C1F)C(=O)O MCULE-5338422633 [1,0,1,0,0,0|1,0,1]=4 406 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-9497914225 [1,0,1,0,0,0|2,0,0]=4 407 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 MCULE-5024809530 [1,0,1,0,0,0|0,0,2]=4 408 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 MCULE-3052929456 [1,0,1,0,0,0|1,0,1]=4 409 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7684350557 [1,0,1,0,0,0|1,0,0]=3 410 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8675735814 [1,0,1,0,0,0|1,0,0]=3 411 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-3401135195 [1,0,1,0,0,0|1,0,0]=3 412 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-6288791296 [1,0,1,0,0,0|1,0,0]=3 413 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7943523013 [1,0,1,0,0,0|1,0,0]=3 414 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8818952296 [1,0,1,0,0,0|1,0,0]=3 415 B14R1.415 O=C(CC(O)C(=O)O)C1=CC=CC=C1 MCULE-6836799308 [1,0,1,0,0,0|2,0,0]=4 416 B14R1.540 NN=C(CCC(=O)O)C1=CC=CC=C1 MCULE-6558474133 [1,0,1,0,0,0|1,0,0]=3 417 B14R1.422 O=C(O)CCS/C=C/C1=CC=CC=C1 MCULE-9158275268 [1,0,1,0,0,0|2,0,0]=4 418 B14R1.422 O=C(O)CCSC=CC1=CC=CC=C1 MCULE-3190918133 [1,0,1,0,0,0|2,0,0]=4 419 B14R1.160 CC1=C(C=CC=C1)C(=O)CCC(=O)O MCULE-2701695748 [1,0,1,0,0,0|2,0,0]=4 420 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-6337040358 [1,0,1,0,0,0|2,0,0]=4 421 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O MCULE-7892803957 [1,0,1,0,0,0|2,0,0]=4 422 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br MCULE-5626452166 [1,0,1,0,0,0|2,0,0]=4 423 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)F MCULE-2439050217 [1,0,1,0,0,0|2,0,0]=4 424 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)I MCULE-4955543307 [1,0,1,0,0,0|2,0,0]=4 425 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl MCULE-7314693029 [1,0,1,0,0,0|2,0,0]=4 426 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [2,0,0,0,0,0|1,0,1]=4 427 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 MCULE-6417482430 [2,0,0,0,0,0|0,0,1]=3 428 B14R2.2 CC(N)CC1=CSC2=CC=CC=C12 MCULE-6169331711 [2,0,0,0,0,0|1,0,1]=4 429 B14R2.2 CC(O)CC1=CNC2=CC=CC=C12 MCULE-4095237423 [2,0,0,0,0,0|1,0,0]=3 430 B14R2.2 CC([NH3+])CC1=CNC2=C1C=CC=C2 MCULE-6948366681 [2,0,0,0,0,0|0,0,2]=4 431 B14R2.2 C[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8293811191 [2,0,0,0,0,0|0,0,1]=3 432 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-5882898867 [2,0,0,0,0,0|1,0,1]=4 433 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-6089875221 [2,0,0,0,0,0|1,0,1]=4 434 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [2,0,0,0,0,0|0,0,1]=3 435 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 MCULE-3382342505 [2,0,0,0,0,0|1,0,1]=4 436 B14R2.2 NC(=S)CC1=CNC2=C1C=CC=C2 MCULE-8809650069 [2,0,0,0,0,0|0,1,1]=4 437 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 MCULE-6562481749 [2,0,0,0,0,0|1,0,1]=4 438 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 MCULE-9266736782 [2,0,0,0,0,0|1,0,1]=4 439 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-3608225852 [2,0,0,0,0,0|1,0,1]=4 440 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-7228643156 [2,0,0,0,0,0|1,0,1]=4 441 B14R2.3 N#CCCC1=CNC2=CC=CC=C12 MCULE-9844349638 [2,0,0,0,0,0|1,0,1]=4 442 B14R2.3 NCCCC1=CNC2=CC=CC=C12 MCULE-4742640218 [2,0,0,0,0,0|1,0,1]=4 443 B14R2.3 NNCCC1=CNC2=CC=CC=C12 MCULE-3881420803 [2,0,0,0,0,0|2,0,0]=4 444 B14R2.3 O=CCCC1=CNC2=CC=CC=C12 MCULE-6631491514 [2,0,0,0,0,0|0,0,0]=2 445 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 MCULE-2483523215 [2,0,0,0,0,0|0,0,1]=3 446 B14R2.3 ON=CCC1=CNC2=C1C=CC=C2 MCULE-2984317759 [2,0,0,0,0,0|1,0,1]=4 447 B14R2.3 OOCCC1=CNC2=CC=CC=C12 MCULE-6615259809 [2,0,0,0,0,0|1,0,0]=3 448 B16R1.4122 NC(CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-1957065146 [0,1,1,0,0,0|2,0,0]=4 449 B16R1.4122 NC(CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-9941787198 [0,1,1,0,0,0|2,0,0]=4 450 B16R1.4122 N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-2959850430 [0,1,1,0,0,0|2,0,0]=4 451 B16R1.4122 N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-8559108209 [0,1,1,0,0,0|2,0,0]=4 452 B16R1.4122 N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-2836218355 [0,1,1,0,0,0|2,0,0]=4 453 B16R1.4122 [C@@H](N)(CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-1974374166 [0,1,1,0,0,0|2,0,0]=4 454 B16R1.4132 CC(CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-4645150302 [0,1,1,0,0,0|1,0,1]=4 455 B16R1.4132 NC(CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-4806014342 [0,1,1,0,0,0|0,0,1]=3 456 B16R1.4132 N[C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-4718853827 [0,1,1,0,0,0|0,0,1]=3 457 B16R1.4132 N[C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-8213720069 [0,1,1,0,0,0|0,0,1]=3 458 B16R1.11263 NC1=C(C=CC=C1C(=O)CC(N)C(=O)O)O MCULE-6658253392 [0,1,1,0,0,0|1,0,0]=3 459 B16R1.11263 NC1=C(C=CC=C1C(=O)C[C@@H](N)C(=O)O)O MCULE-9748579037 [0,1,1,0,0,0|1,0,0]=3 460 B16R1.11441 NC1=C(C=CC(=C1)Cl)C(=O)C[C@H](N)C(=O)O MCULE-5854866774 [0,1,1,0,0,0|1,0,0]=3 461 B16R2.5 CNC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1587513374 [1,1,0,0,0,0|1,0,1]=4 462 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C MCULE-4645482040 [1,1,0,0,0,0|1,0,1]=4 463 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C MCULE-9518606643 [1,1,0,0,0,0|1,0,1]=4 464 B16R2.176317 CCC(N)CC1=CNC2=C1C(=CC=C2)C MCULE-9940652037 [1,1,0,0,0,0|1,0,1]=4 465 B16R2.176359 CCC(N)CC1=CNC2=C1C=C(C=C2)F MCULE-1870500907 [1,1,0,0,0,0|1,0,1]=4 466 B16R2.176359 CCC(N)CC1=CNC2=CC=C(C=C12)F MCULE-1447048828 [1,1,0,0,0,0|1,0,1]=4 467 B16R2.14 CC(=NO)CCC1=CNC2=C1C=CC=C2 MCULE-4117218273 [1,1,0,0,0,0|1,0,0]=3 468 B16R2.14 CC(=NO)CSC1=CNC2=C1C=CC=C2 MCULE-3134182243 [1,1,0,0,0,0|2,0,0]=4 469 B16R2.14 CCC(=O)NCC1=CNC2=CC=CC=C12 MCULE-4306442128 [1,1,0,0,0,0|2,0,0]=4 470 B16R2.14 COC(=O)C=CC1=CNC2=C1C=CC=C2 MCULE-5021665673 [1,1,0,0,0,0|0,0,2]=4 471 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-6058936857 [1,1,0,0,0,0|0,0,0]=2 472 B16R2.14 COC(=O)CCN1C=NC2=CC=CC=C12 MCULE-6041516209 [1,1,0,0,0,0|1,0,1]=4 473 B16R2.14 C[C@@H](CO)CCC1=CNC2=C1C=CC=C2 MCULE-7278157577 [1,1,0,0,0,0|1,0,1]=4 474 B16R2.14 C[C@@H](CO)CCC1=CNC2=CC=CC=C12 MCULE-1570166301 [1,1,0,0,0,0|1,0,1]=4 475 B16R2.14 NNC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-2439340262 [1,1,0,0,0,0|1,0,0]=3 476 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3165794084 [1,1,0,0,0,0|2,0,0]=4 477 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-4423247369 [1,1,0,0,0,0|2,0,0]=4 478 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1451859789 [1,1,0,0,0,0|2,0,0]=4 479 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1911385013 [1,1,0,0,0,0|2,0,0]=4 480 B16R2.520 CC(=O)CC(=O)C1=CNC2=C1C=CC=C2 MCULE-7778035018 [1,1,0,0,0,0|1,0,1]=4 481 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-1656451925 [1,1,0,0,0,0|0,0,0]=2 482 B16R2.520 CC(CC(=O)O)N1C=NC2=CC=CC=C12 MCULE-3898456673 [1,1,0,0,0,0|1,0,1]=4 483 B16R2.520 CC(CC(=O)O)N1C=NC2=CC=CC=C12 MCULE-8347136802 [1,1,0,0,0,0|1,0,1]=4 484 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2298347249 [1,1,0,0,0,0|0,0,0]=2 485 B16R2.520 N[C@@H](CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-4436493722 [1,1,0,0,0,0|0,0,0]=2 486 B16R2.2947 CN(=O)(C)CCC1=CNC2=C1C=CC=C2 MCULE-1626095060 [1,1,0,0,0,0|2,0,0]=4 487 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)/C=C/C(=O)O MCULE-7011339368 [1,1,0,0,0,0|0,0,2]=4 488 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [1,1,0,0,0,0|0,0,0]=2 489 B16R2.2976 CC1=CC=C2C(=C1)C=CN2CCC(=O)O MCULE-4103037674 [1,1,0,0,0,0|2,0,0]=4 490 B16R2.2976 CC1=CC=C2C(=CNC2=C1)C=CC(=O)O MCULE-7367748076 [1,1,0,0,0,0|0,0,2]=4 491 B16R2.2976 O=C(O)/C=C/C1=CNC2=C1C=CC(=C2)F MCULE-8415677505 [1,1,0,0,0,0|0,0,2]=4 492 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Br MCULE-7968399311 [1,1,0,0,0,0|0,0,0]=2 493 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Cl MCULE-1091258850 [1,1,0,0,0,0|0,0,0]=2 494 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)F MCULE-5084506987 [1,1,0,0,0,0|0,0,0]=2 495 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Br MCULE-5760549327 [1,1,0,0,0,0|2,0,0]=4 496 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Cl MCULE-2221739728 [1,1,0,0,0,0|2,0,0]=4 497 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)/C=C/C(=O)O MCULE-8640887132 [1,1,0,0,0,0|0,0,2]=4 498 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)N MCULE-2768308411 [1,1,0,0,0,0|1,0,0]=3 499 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)SCC(=O)O MCULE-9641494982 [1,1,0,0,0,0|1,0,0]=3 500 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CCC(=O)O MCULE-2157412879 [1,1,0,0,0,0|0,0,0]=2 501 B16R2.4003 CC1=C(C2=CC=CN=C2N1)CCC(=O)O MCULE-2514335887 [1,1,0,0,0,0|1,0,0]=3 502 B16R2.4003 CC1=C(N2C=CC=CC2=N1)CCC(=O)O MCULE-1667881835 [1,1,0,0,0,0|1,0,1]=4 503 B16R2.4003 CC1=C(N2C=CC=CC2=N1)CCC(=O)O MCULE-9365971096 [1,1,0,0,0,0|1,0,1]=4 504 B16R2.4003 CC1=CC2=CC=CC=C2N1CCC(=O)O MCULE-3165679689 [1,1,0,0,0,0|2,0,0]=4 505 B16R2.4003 CC1=NC2=C(N1CCC(=O)O)C=CC=C2 MCULE-5562608737 [1,1,0,0,0,0|1,0,1]=4 506 B16R2.4003 CC1=[N+](C2=C(O1)C=CC=C2)CCC(=O)O MCULE-3035289709 [1,1,0,0,0,0|2,0,0]=4 507 B16R2.4003 CC1=[N+](C2=C(O1)C=CC=C2)CCC(=O)O MCULE-7281871702 [1,1,0,0,0,0|2,0,0]=4 508 B16R2.4003 CC1=[N+](C2=C(S1)C=CC=C2)CCC(=O)O MCULE-2784212477 [1,1,0,0,0,0|2,0,0]=4 509 B16R2.4003 CC1=[N+](C2=C(S1)C=CC=C2)CCC(=O)O MCULE-4918973548 [1,1,0,0,0,0|2,0,0]=4 510 B16R2.4003 CC1=[NH+]C2=CC=CC=C2N1CCC(=O)O MCULE-9363304635 [1,1,0,0,0,0|1,0,1]=4 511 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [1,1,0,0,0,0|0,0,1]=3 512 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 MCULE-8426898486 [1,1,0,0,0,0|1,0,0]=3 513 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C12 MCULE-8455578801 [1,1,0,0,0,0|2,0,0]=4 514 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C12 MCULE-3913775175 [1,1,0,0,0,0|2,0,0]=4 515 B16R2.4003 O=C(O)CCN1C(=S)OC2=C1C=CC=C2 MCULE-4250403592 [1,1,0,0,0,0|2,0,0]=4 516 B16R2.4003 O=C(O)CCN1C2=CC=CC=C2N=C1S MCULE-6994052183 [1,1,0,0,0,0|1,0,1]=4 517 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [1,1,0,0,0,0|1,0,0]=3 518 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [1,1,0,0,0,0|1,0,0]=3 519 B16R2.15551 CC1=CC2=C(C=C1)NC=C2/C=C/C(=O)O MCULE-3649831392 [1,1,0,0,0,0|0,0,2]=4 520 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [1,1,0,0,0,0|1,0,0]=3 521 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [1,1,0,0,0,0|0,0,0]=2 522 B16R2.15551 O=C(O)/C=C/C1=CNC2=C1C=C(C=C2)Cl MCULE-8006257909 [1,1,0,0,0,0|0,0,2]=4 523 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [1,1,0,0,0,0|0,0,0]=2 524 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [1,1,0,0,0,0|0,0,0]=2 525 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [1,1,0,0,0,0|0,0,0]=2 526 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [1,1,0,0,0,0|0,0,0]=2 527 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [1,1,0,0,0,0|0,0,0]=2 528 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Br MCULE-8839357052 [1,1,0,0,0,0|2,0,0]=4 529 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl MCULE-8962558505 [1,1,0,0,0,0|2,0,0]=4 530 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)F MCULE-6235603955 [1,1,0,0,0,0|2,0,0]=4 531 B16R2.22833 CC1=C2C=CN(C2=CC=C1)CCC(=O)O MCULE-9596357833 [1,1,0,0,0,0|2,0,0]=4 532 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O MCULE-4873321993 [1,1,0,0,0,0|0,0,0]=2 533 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)Br MCULE-3881669082 [1,1,0,0,0,0|0,0,0]=2 534 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)F MCULE-5570346888 [1,1,0,0,0,0|0,0,0]=2 535 B16R2.22833 O=C(O)CCN1C=CC2=C1C=CC=C2Cl MCULE-2417395618 [1,1,0,0,0,0|2,0,0]=4 536 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O MCULE-3911363614 [1,1,0,0,0,0|0,0,0]=2 537 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Br MCULE-4118032651 [1,1,0,0,0,0|0,0,0]=2 538 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Cl MCULE-4256140437 [1,1,0,0,0,0|0,0,0]=2 539 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)F MCULE-7647345792 [1,1,0,0,0,0|0,0,0]=2 540 B16R2.104522 CC1=CN(C2=C1C=CC=C2)CCC(=O)O MCULE-1072974776 [1,1,0,0,0,0|2,0,0]=4 541 B16R2.104522 CN1C=C(C2=C1C=CC=C2)/C=C/C(=O)O MCULE-5303153365 [1,1,0,0,0,0|0,0,2]=4 542 B16R2.104522 CN1C=C(C2=C1C=CC=C2)C=CC(=O)O MCULE-2015820777 [1,1,0,0,0,0|0,0,2]=4 543 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-1723021666 [1,1,0,0,0,0|0,0,0]=2 544 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)N MCULE-3627246897 [1,1,0,0,0,0|2,0,0]=4 545 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-6156123962 [1,1,0,0,0,0|1,0,0]=3 546 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-4973059418 [1,1,0,0,0,0|2,0,0]=4 547 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-9879778332 [1,1,0,0,0,0|2,0,0]=4 548 B16R2.104522 CN1N=C(C2=CC=CC=C12)OCC(=O)O MCULE-9024504068 [1,1,0,0,0,0|2,0,0]=4 549 B16R2.495 CC(C)(C(=O)O)C1=CNC2=CC=CC=C12 MCULE-7236703743 [0,1,0,0,1,0|1,0,0]=3 550 B16R2.4002 CC1=C(C2=C(N1)C=CC=C2)C(=O)C(=O)O MCULE-1693222774 [0,1,0,0,1,0|1,0,1]=4 551 B16R2.4002 CC1=C(C2=CC=CN=C2N1)C(C)C(=O)O MCULE-6375616302 [0,1,0,0,1,0|2,0,0]=4 552 B16R2.12530 CC1=CC2=C(C=C1)C(=CN2)C(=O)C(=O)O MCULE-5172204302 [0,1,0,0,1,0|1,0,1]=4 553 B16R2.12530 O=C(O)C(=O)C1=CNC2=C1C=CC(=C2)Br MCULE-3969672402 [0,1,0,0,1,0|1,0,1]=4 554 B16R2.12530 O=C(O)C(=O)C1=CNC2=C1C=CC(=C2)Cl MCULE-7893574558 [0,1,0,0,1,0|1,0,1]=4 555 B16R2.12530 O=C(O)C(=O)C1=CNC2=C1C=CC(=C2)F MCULE-1736408912 [0,1,0,0,1,0|1,0,1]=4 556 B16R2.15550 CC1=CC2=C(C=C1)NC=C2C(=O)C(=O)O MCULE-1023323448 [0,1,0,0,1,0|1,0,1]=4 557 B16R2.15550 O=C(O)C(=O)C1=CNC2=C1C=C(C=C2)Cl MCULE-1103045223 [0,1,0,0,1,0|1,0,1]=4 558 B16R2.15550 O=C(O)C(=O)C1=CNC2=CC=C(C=C12)Br MCULE-6009643390 [0,1,0,0,1,0|1,0,1]=4 559 B16R2.15550 O=C(O)C(=O)C1=CNC2=CC=C(C=C12)F MCULE-8705919923 [0,1,0,0,1,0|1,0,1]=4 560 B16R2.22832 CC1=CC=CC2=C1NC=C2C(=O)C(=O)O MCULE-3300578987 [0,1,0,0,1,0|1,0,1]=4 561 B16R2.22832 O=C(O)C(=O)C1=CNC2=C(C=CC=C12)Cl MCULE-7427154099 [0,1,0,0,1,0|1,0,1]=4 562 B16R2.22832 O=C(O)C(=O)C1=CNC2=C1C=CC=C2Br MCULE-4457875261 [0,1,0,0,1,0|1,0,1]=4 563 B16R2.22832 O=C(O)C(=O)C1=CNC2=C1C=CC=C2F MCULE-6418571175 [0,1,0,0,1,0|1,0,1]=4 564 B16R2.104521 CC(C(=O)O)C1=CN(C2=C1C=CC=C2)C MCULE-6306789821 [0,1,0,0,1,0|1,0,0]=3 565 B16R2.104521 CN1C=C(C2=C1C=CC=C2)C(=O)C(=O)O MCULE-9433877360 [0,1,0,0,1,0|1,0,1]=4 566 B16R2.126921 CC1=C2C(=CC=C1)NC=C2C(=O)C(=O)O MCULE-8363527446 [0,1,0,0,1,0|1,0,1]=4 567 B16R2.126921 O=C(O)C(=O)C1=CNC2=C1C(=CC=C2)Br MCULE-8650357595 [0,1,0,0,1,0|1,0,1]=4 568 B16R2.126921 O=C(O)C(=O)C1=CNC2=C1C(=CC=C2)Cl MCULE-6889514691 [0,1,0,0,1,0|1,0,1]=4 569 B16R2.126921 O=C(O)C(=O)C1=CNC2=CC=CC(=C12)F MCULE-2054145492 [0,1,0,0,1,0|1,0,1]=4 570 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=C1C=CC=C2 MCULE-4223568421 [0,1,0,0,0,1|1,0,0]=3 571 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=CC=CC=C12 MCULE-8658266674 [0,1,0,0,0,1|1,0,0]=3 572 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-2631192696 [0,1,0,0,0,1|2,0,0]=4 573 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-8886917046 [0,1,0,0,0,1|2,0,0]=4 574 B18R2.1 CC(CC1=CNC2=CC=CC=C12)NC(=O)CCl MCULE-9634480354 [0,1,0,0,0,1|2,0,0]=4 575 B18R2.1 CCC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-8652738369 [0,1,0,0,0,1|2,0,0]=4 576 B18R2.1 COC(=O)CC(=O)CC1=CNC2=CC=CC=C12 MCULE-2568843439 [0,1,0,0,0,1|1,0,1]=4 577 B18R2.1 COC(=O)NC(C)CC1=CSC2=CC=CC=C12 MCULE-9916470942 [0,1,0,0,0,1|2,0,0]=4 578 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-4398334420 [0,1,0,0,0,1|1,0,0]=3 579 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-9347126929 [0,1,0,0,0,1|1,0,0]=3 580 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-3725850664 [0,1,0,0,0,1|1,0,0]=3 581 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-6416679592 [0,1,0,0,0,1|1,0,0]=3 582 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-7122700951 [0,1,0,0,0,1|1,0,0]=3 583 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-8496219457 [0,1,0,0,0,1|1,0,0]=3 584 B18R2.30019 COC(=O)[C@@H](N)CC1=CN=C2C=CC=CC2=C1 MCULE-8286312945 [0,1,0,0,0,1|0,0,1]=3 585 B18R2.30019 COC(=O)[C@H](N)CC1=CC=C2C=CC=CC2=C1 MCULE-2342781319 [0,1,0,0,0,1|1,0,0]=3 586 B18R2.30019 COC(=O)[C@H](N)CC1=CN=C2C=CC=CC2=C1 MCULE-7310576868 [0,1,0,0,0,1|0,0,1]=3 587 B18R2.31781 N[C@@H](C1=CC=C2C=CC=CC2=C1)[C@H](O)C(=O)O MCULE-6875924593 [0,1,0,0,0,1|2,0,0]=4 588 B18R2.31781 N[C@H](C1=CC=C2C=CC=CC2=C1)[C@@H](O)C(=O)O MCULE-6968994255 [0,1,0,0,0,1|2,0,0]=4 589 B18R2.559985 CC(N)(CC1=CC2=CC=CC=C2N=C1)C(=O)O MCULE-5251051306 [0,1,0,0,0,1|0,0,1]=3 590 B18R2.559985 CC(N)(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-9321080663 [0,1,0,0,0,1|1,0,0]=3 591 B18R2.559985 C[C@](N)(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2022868464 [0,1,0,0,0,1|1,0,0]=3 592 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-1302490434 [0,1,0,0,0,1|0,0,0]=2 593 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-4364204936 [0,1,0,0,0,1|0,0,0]=2 594 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-6753428328 [0,1,0,0,0,1|0,0,0]=2 595 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-3638909382 [0,1,0,0,0,1|0,0,0]=2 596 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-7636719783 [0,1,0,0,0,1|0,0,0]=2 597 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-2401720251 [0,1,0,0,0,1|0,0,0]=2 598 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-9615543713 [0,1,0,0,0,1|0,0,0]=2 599 B18R2.62416 NC(CC1=C2C=CC=NC2=C(C=C1)O)C(=O)O MCULE-4580415948 [0,1,0,0,0,1|2,0,0]=4 600 B18R2.62416 NC(CC1=C2C=CC=NC2=C(C=C1)O)C(=O)O MCULE-9840194589 [0,1,0,0,0,1|2,0,0]=4 601 B18R2.904449 COC(=O)C(Br)CC1=CC=CC2=CC=CC=C12 MCULE-9336632457 [0,1,0,0,0,1|2,0,0]=4 602 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-5746838090 [0,1,0,0,0,1|1,0,0]=3 603 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-6917309468 [0,1,0,0,0,1|1,0,0]=3 604 B18R2.904449 COC(=O)C(N)CC1=CC=NC2=CC=CC=C12 MCULE-8054720274 [0,1,0,0,0,1|0,0,1]=3 605 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6594519142 [0,1,0,0,0,1|1,0,0]=3 606 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6734176014 [0,1,0,0,0,1|1,0,0]=3 607 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-7211773184 [0,1,0,0,0,1|1,0,0]=3 608 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-8323106792 [0,1,0,0,0,1|1,0,0]=3 609 B18R2.904449 COC(=O)[C@@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-9747316982 [0,1,0,0,0,1|0,0,1]=3 610 B18R2.904449 COC(=O)[C@@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-5696964089 [0,1,0,0,0,1|0,0,1]=3 611 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-1237739592 [0,1,0,0,0,1|1,0,0]=3 612 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-4372721823 [0,1,0,0,0,1|1,0,0]=3 613 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-5885546668 [0,1,0,0,0,1|1,0,0]=3 614 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-9036371325 [0,1,0,0,0,1|1,0,0]=3 615 B18R2.904449 COC(=O)[C@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-4380379524 [0,1,0,0,0,1|0,0,1]=3 616 B18R2.904449 COC(=O)[C@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-7354008110 [0,1,0,0,0,1|0,0,1]=3 617 B18R2.913225 N#CC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-5080754985 [0,1,0,0,0,1|1,0,1]=4 618 B18R2.913225 NCC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8982161220 [0,1,0,0,0,1|1,0,0]=3 619 B18R2.2912343 NC(C1=C2C=CC=CC2=CC=C1)C(O)C(=O)O MCULE-3158248463 [0,1,0,0,0,1|2,0,0]=4 620 B18R2.2912343 N[C@@H](C1=C2C=CC=CC2=CC=C1)[C@H](O)C(=O)O MCULE-9946915354 [0,1,0,0,0,1|2,0,0]=4 621 B18R2.2912343 N[C@H](C1=C2C=CC=CC2=CC=C1)[C@@H](O)C(=O)O MCULE-3101439299 [0,1,0,0,0,1|2,0,0]=4 622 B18R2.12 CCNC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-7648949388 [0,2,0,0,0,0|1,0,0]=3 623 B18R2.12 CCOC(=O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-8404436294 [0,2,0,0,0,0|1,0,1]=4 624 B18R2.12 CCOC(=O)C(C)CC1=CNC2=C1C=CC=C2 MCULE-8973948474 [0,2,0,0,0,0|1,0,0]=3 625 B18R2.12 CCOC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-1160702577 [0,2,0,0,0,0|0,0,0]=2 626 B18R2.12 CCOC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8680277173 [0,2,0,0,0,0|0,0,0]=2 627 B18R2.12 CCOC(=O)C(N)CC1=CNC2=CC=CC=C12 MCULE-2303365788 [0,2,0,0,0,0|0,0,0]=2 628 B18R2.12 CCOC(=O)C(N)CC1=CNC2=CC=CC=C12 MCULE-8476154959 [0,2,0,0,0,0|0,0,0]=2 629 B18R2.12 CCOC(=O)C(N)CC1=CSC2=C1C=CC=C2 MCULE-2570148235 [0,2,0,0,0,0|1,0,0]=3 630 B18R2.12 CCOC(=O)C(N)CC1=CSC2=C1C=CC=C2 MCULE-9672420930 [0,2,0,0,0,0|1,0,0]=3 631 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-3863409010 [0,2,0,0,0,0|0,0,0]=2 632 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4026817600 [0,2,0,0,0,0|0,0,0]=2 633 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12 MCULE-4926715909 [0,2,0,0,0,0|0,0,0]=2 634 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12 MCULE-7563382336 [0,2,0,0,0,0|0,0,0]=2 635 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1894264967 [0,2,0,0,0,0|0,0,0]=2 636 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4902329376 [0,2,0,0,0,0|0,0,0]=2 637 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6175732455 [0,2,0,0,0,0|0,0,0]=2 638 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7187189228 [0,2,0,0,0,0|0,0,0]=2 639 B18R2.361 CNC(=O)C(N)CC1=CNC2=C1C=CC=C2Cl MCULE-6619981131 [0,2,0,0,0,0|1,0,0]=3 640 B18R2.361 COC(=O)C(N)CC1=CNC2=C1C=CC=C2Cl MCULE-1649106168 [0,2,0,0,0,0|0,0,0]=2 641 B18R2.361 COC(=O)[C@@H](N)CC1=CNC2=C(C=CC=C12)Cl MCULE-2471979033 [0,2,0,0,0,0|0,0,0]=2 642 B18R2.374 COC(=O)C(C)(N)CC1=CNC2=C1C=CC=C2 MCULE-7115254393 [0,2,0,0,0,0|0,0,0]=2 643 B18R2.374 COC(=O)C(C)(N)CC1=CNC2=C1C=CC=C2 MCULE-8059978467 [0,2,0,0,0,0|0,0,0]=2 644 B18R2.374 COC(=O)C(C)(N)CN1C=NC2=C1C=CC=C2 MCULE-6061115007 [0,2,0,0,0,0|1,0,1]=4 645 B18R2.374 COC(=O)C(C)(N)CN1C=NC2=C1C=CC=C2 MCULE-6283347417 [0,2,0,0,0,0|1,0,1]=4 646 B18R2.125811 COC(=O)C(N)CC1C(=O)NC2=CC=CC=C12 MCULE-5040247024 [0,2,0,0,0,0|0,0,1]=3 647 B18R2.125811 COC(=O)C(N)CC1C(=O)NC2=CC=CC=C12 MCULE-8053186686 [0,2,0,0,0,0|0,0,1]=3 648 B18R2.125811 COC(=O)[C@@H](N)CC1C(=O)NC2=C1C=CC=C2 MCULE-8806089921 [0,2,0,0,0,0|0,0,1]=3 649 B18R2.125811 COC(=O)[C@@H](N)CC1C(=O)NC2=C1C=CC=C2 MCULE-9899724555 [0,2,0,0,0,0|0,0,1]=3 650 B18R2.126667 COC(=O)C(N)CC1=CNC2=C1C=CC(=C2)F MCULE-2685458582 [0,2,0,0,0,0|0,0,0]=2 651 B18R2.126667 COC(=O)C(N)CC1=CNC2=C1C=CC(=C2)F MCULE-9364588864 [0,2,0,0,0,0|0,0,0]=2 652 B18R2.910620 COC(=O)C(N)CC1=CNC2=C1C(=CC=C2)F MCULE-7433901537 [0,2,0,0,0,0|0,0,0]=2 653 B18R2.910661 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)Br MCULE-2956534108 [0,2,0,0,0,0|0,0,0]=2 654 B18R2.910661 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)Br MCULE-5254331872 [0,2,0,0,0,0|0,0,0]=2 655 B18R2.910661 COC(=O)C(N)CC1=CNC2=CC=C(C=C12)O MCULE-1745486220 [0,2,0,0,0,0|0,0,0]=2 656 B18R2.910661 COC(=O)C(N)CC1=CNC2=CC=C(C=C12)O MCULE-2173932144 [0,2,0,0,0,0|0,0,0]=2 657 B18R2.910661 COC(=O)[C@@H](N)CC1=CNC2=C1C=C(C=C2)O MCULE-9918277449 [0,2,0,0,0,0|0,0,0]=2 658 B18R2.910661 COC(=O)[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-3861121669 [0,2,0,0,0,0|0,0,0]=2 659 B18R2.910661 COC(=O)[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-7467843654 [0,2,0,0,0,0|0,0,0]=2 660 B18R2.60850 CC1=C(C2=C(N1)C=CC=C2)CC(F)(F)C(=O)O MCULE-9390293978 [0,2,0,0,0,0|1,0,0]=3 661 B18R2.195 N#N=NC(CC1=CNC2=C1C=CC=C2)C(=O)[O-] MCULE-3387914750 [0,2,0,0,0,0|0,0,2]=4 662 B18R2.195 N#N=NC(CC1=CNC2=C1C=CC=C2)C(=O)[O-] MCULE-3617181669 [0,2,0,0,0,0|0,0,2]=4 663 B18R2.195 O=CNC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-1995708931 [0,2,0,0,0,0|0,0,0]=2 664 B18R2.195 [C@@H](CC1=CNC2=C1C=CC=C2)(NC=O)C(=O)O MCULE-4005857873 [0,2,0,0,0,0|0,0,0]=2 665 B18R2.195 [N-]=[N+]=N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7498116975 [0,2,0,0,0,0|0,0,1]=3 666 B18R2.195 [N-]=[N+]=N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7690528169 [0,2,0,0,0,0|0,0,1]=3 667 B18R2.195 [N-]=[N+]=N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3128289018 [0,2,0,0,0,0|0,0,1]=3 668 B18R2.195 [N-]=[N+]=N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3149784469 [0,2,0,0,0,0|0,0,1]=3 669 B18R2.609005 N#CC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)N MCULE-8468057834 [0,2,0,0,0,0|1,0,1]=4 670 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-3747477875 [0,2,0,0,0,0|0,0,0]=2 671 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-4096221799 [0,2,0,0,0,0|0,0,0]=2 672 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-6456851608 [0,2,0,0,0,0|0,0,0]=2 673 B18R2.3108 COC1=CC=C2C(=CNC2=C1)C[C@@H](N)C(=O)O MCULE-6821849236 [0,2,0,0,0,0|0,0,0]=2 674 B18R2.3108 COC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-6978202230 [0,2,0,0,0,0|0,0,0]=2 675 B18R2.314287 NC(CN1C=NC2=C1C=C(C(=C2)F)F)C(=O)O MCULE-2913366921 [0,2,0,0,0,0|1,0,1]=4 676 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-5728347170 [0,2,0,0,0,0|0,0,0]=2 677 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8098871559 [0,2,0,0,0,0|0,0,0]=2 678 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8897714296 [0,2,0,0,0,0|0,0,0]=2 679 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-3047279016 [0,2,0,0,0,0|0,0,0]=2 680 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-7513297188 [0,2,0,0,0,0|0,0,0]=2 681 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-2186418042 [0,2,0,0,0,0|0,0,0]=2 682 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7726461775 [0,2,0,0,0,0|0,0,0]=2 683 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1598609422 [0,2,0,0,0,0|0,0,0]=2 684 B18R2.120970 N#CC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-5668606434 [0,2,0,0,0,0|0,0,0]=2 685 B18R2.120970 N#CC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-6157538705 [0,2,0,0,0,0|0,0,0]=2 686 B18R2.120970 N#CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-3478591992 [0,2,0,0,0,0|0,0,0]=2 687 B18R2.104834 COC1=C2NC=C(C2=CC=C1)CC(N)C(=O)O MCULE-5974105944 [0,2,0,0,0,0|0,0,0]=2 688 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@@H](N)C(=O)O MCULE-3069474033 [0,2,0,0,0,0|0,0,0]=2 689 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@@H](N)C(=O)O MCULE-7052604099 [0,2,0,0,0,0|0,0,0]=2 690 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@H](N)C(=O)O MCULE-1674676449 [0,2,0,0,0,0|0,0,0]=2 691 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@H](N)C(=O)O MCULE-5484036230 [0,2,0,0,0,0|0,0,0]=2 692 B18R2.104834 COC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-4692458200 [0,2,0,0,0,0|0,0,0]=2 693 B18R2.105502 COC1=C2C(=CNC2=CC=C1)C[C@@H](N)C(=O)O MCULE-2107801720 [0,2,0,0,0,0|0,0,0]=2 694 B18R2.105502 COC1=C2C(=CNC2=CC=C1)C[C@H](N)C(=O)O MCULE-7826046230 [0,2,0,0,0,0|0,0,0]=2 695 B18R2.105502 COC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O MCULE-9243370450 [0,2,0,0,0,0|0,0,0]=2 696 B18R2.105502 COC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-7383822208 [0,2,0,0,0,0|0,0,0]=2 697 B18R2.254902 NC(CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-4490201261 [0,2,0,0,0,0|0,0,0]=2 698 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-1569191250 [0,2,0,0,0,0|0,0,0]=2 699 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-4569493787 [0,2,0,0,0,0|0,0,0]=2 700 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-6771199936 [0,2,0,0,0,0|0,0,0]=2 701 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-7577649864 [0,2,0,0,0,0|0,0,0]=2 702 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-1169402447 [0,2,0,0,0,0|0,0,0]=2 703 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-4733607229 [0,2,0,0,0,0|0,0,0]=2 704 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-6416845443 [0,2,0,0,0,0|0,0,0]=2 705 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-7554453210 [0,2,0,0,0,0|0,0,0]=2 706 B16R2.6284 NC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 MCULE-2490098737 [0,0,1,1,0,0|1,0,1]=4 707 B16R2.6284 NC(C(=O)O)C1=CC2=CC=CC=C2C=C1 MCULE-3765393506 [0,0,1,1,0,0|1,0,1]=4 708 B16R2.6284 NC(C(=O)O)C1=CC2=CC=CC=C2C=C1 MCULE-5950507526 [0,0,1,1,0,0|1,0,1]=4 709 B16R2.6284 NC(C(=O)O)C1=CC2=CC=CC=C2C=C1 MCULE-7668815678 [0,0,1,1,0,0|1,0,1]=4 710 B16R2.6284 N[C@@H](C(=O)O)C1=CC2=CC=CC=C2C=C1 MCULE-3206034157 [0,0,1,1,0,0|1,0,1]=4 711 B16R2.6284 N[C@@H](C(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-1399497830 [0,0,1,1,0,0|1,0,1]=4 712 B16R2.6284 N[C@@H](C(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-3558773715 [0,0,1,1,0,0|1,0,1]=4 713 B16R2.6284 N[C@@H](C(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-5476835776 [0,0,1,1,0,0|1,0,1]=4 714 B16R2.6284 N[C@H](C(=O)O)C1=CC2=CC=CC=C2C=C1 MCULE-9421690525 [0,0,1,1,0,0|1,0,1]=4 715 B16R2.6284 N[C@H](C(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-3758730325 [0,0,1,1,0,0|1,0,1]=4 716 B16R2.6284 N[C@H](C(=O)O)C1=CC=C2C=CC=CC2=C1 MCULE-4035896271 [0,0,1,1,0,0|1,0,1]=4 717 B16R2.2880 O=C(O)C1CC(C(=O)N1)C2=CC=CC=C2 MCULE-8111429609 [0,0,1,1,0,0|1,0,1]=4 718 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O MCULE-3718199935 [0,0,1,1,0,0|2,0,0]=4 719 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O MCULE-8013856096 [0,0,1,1,0,0|2,0,0]=4 720 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-1668976715 [0,0,1,1,0,0|1,0,1]=4 721 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3817950079 [0,0,1,1,0,0|1,0,1]=4 722 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-7290075140 [0,0,1,1,0,0|1,0,1]=4 723 B16R2.244415 NC(C(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7446621392 [0,0,1,1,0,0|1,0,1]=4 724 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-2114748931 [0,0,1,1,0,0|1,0,1]=4 725 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-4127798936 [0,0,1,1,0,0|1,0,1]=4 726 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-5110533242 [0,0,1,1,0,0|1,0,1]=4 727 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-7484069804 [0,0,1,1,0,0|1,0,1]=4 728 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3930483477 [0,0,1,1,0,0|1,0,1]=4 729 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-8649538702 [0,0,1,1,0,0|1,0,1]=4 730 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-9245872714 [0,0,1,1,0,0|1,0,1]=4 731 B16R2.244415 N[C@H](C(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-8520686749 [0,0,1,1,0,0|1,0,1]=4 732 B16R2.6257 N[C@@H](CC1=CC2=C(C=CN2)C=C1)C(=O)O MCULE-9310333388 [0,0,1,1,0,0|2,0,0]=4 733 B16R2.49441 NC(CC1=CC=CC2=C1C=CN2)C(=O)O MCULE-3187802838 [0,0,1,1,0,0|2,0,0]=4 734 B16R3.2583 NC1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-3649161710 [1,0,0,1,0,0|1,0,1]=4 735 B16R3.2583 NC1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-4789002335 [1,0,0,1,0,0|1,0,1]=4 736 B16R3.2583 N[C@@H]1CCC2=C(C1)C3=C(N2)C=CC=C3 MCULE-2153037710 [1,0,0,1,0,0|1,0,1]=4 737 B16R3.2583 N[C@@H]1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-1614449060 [1,0,0,1,0,0|1,0,1]=4 738 B16R3.2583 N[C@H]1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-4777384764 [1,0,0,1,0,0|1,0,1]=4 739 B16R3.2583 N[C@H]1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-8998431018 [1,0,0,1,0,0|1,0,1]=4 740 B16R3.12359 NC1(CC1)CC2=CNC3=C2C=CC=C3 MCULE-6986158134 [1,0,0,1,0,0|1,0,1]=4 741 B16R3.12359 NC1(CC1)CC2=CNC3=C2C=CC=C3 MCULE-9324862197 [1,0,0,1,0,0|1,0,1]=4 742 B16R3.2637 O=C1CC2=C(CN1)C3=C(N2)C=CC=C3 MCULE-3979644775 [1,0,0,1,0,0|2,0,0]=4 743 B16R3.2637 O=C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-1954151692 [1,0,0,1,0,0|1,0,0]=3 744 B16R3.17569 O=C1CCC2=CNC3=C2C(=CC=C3)N1 MCULE-1424890738 [1,0,0,1,0,0|1,0,0]=3 745 B18R3.116932 O=C(O)C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-4262719832 [0,0,0,1,0,1|1,0,0]=3 746 B18R3.2886 O=C1NC(CO1)CC2=CNC3=C2C=CC=C3 MCULE-9763410290 [0,0,0,1,0,1|1,0,0]=3 747 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-3671680420 [0,0,0,1,0,1|1,0,0]=3 748 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-5259168916 [0,0,0,1,0,1|1,0,0]=3 749 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-7199937431 [0,0,0,1,0,1|1,0,0]=3 750 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-8291836045 [0,0,0,1,0,1|1,0,0]=3 751 B18R3.987165 O=C(O)C1CC1C2=CC3=C(C=CC=C3)C=C2 MCULE-4016290075 [0,0,0,1,0,1|2,0,0]=4 752 B18R3.987165 O=C(O)[C@@H]1C[C@@H]1C2=CC3=CC=CC=C3C=C2 MCULE-8742199129 [0,0,0,1,0,1|2,0,0]=4 753 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=CC=C2 MCULE-7053036690 [0,0,0,1,0,1|2,0,0]=4 754 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=NC=C2 MCULE-8088552648 [0,0,0,1,0,1|1,0,1]=4 755 B18R3.7353 O=C(O)[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 MCULE-9604194619 [0,0,0,1,0,1|2,0,0]=4 756 B18R3.7353 O=C(O)[C@H]1C[C@@H]1C2=C3C=CC=CC3=CC=C2 MCULE-6045987686 [0,0,0,1,0,1|2,0,0]=4 757 B18R3.115616 O=C(O)C1CC2=C(C=N1)NC3=C2C=CC=C3 MCULE-6307330180 [0,1,0,1,0,0|0,0,1]=3 758 B18R3.115616 O=C(O)C1CC2=C(C=N1)NC3=C2C=CC=C3 MCULE-8845104099 [0,1,0,1,0,0|0,0,1]=3 759 B18R3.115616 O=C(O)C1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-3015576416 [0,1,0,1,0,0|0,0,0]=2 760 B18R3.115616 O=C(O)C1CC2C3=CC=CC=C3NC2CN1 MCULE-9325193788 [0,1,0,1,0,0|0,0,2]=4 761 B18R3.115616 O=C(O)C1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-9387495303 [0,1,0,1,0,0|1,0,0]=3 762 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-3469904680 [0,1,0,1,0,0|0,0,0]=2 763 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-6645274526 [0,1,0,1,0,0|0,0,0]=2 764 B18R3.115616 O=C(O)[C@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-3848157652 [0,1,0,1,0,0|0,0,0]=2 765 B18R3.115616 O=C(O)[C@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-6297780312 [0,1,0,1,0,0|0,0,0]=2 766 B14R1.3135 COC1=C(C=CC=C1)C[C@@H](N)C(=O)O MCULE-5643327363 [0,0,1,0,1,0|1,0,1]=4 767 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O MCULE-5185393875 [0,0,1,0,1,0|1,0,1]=4 768 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O MCULE-9876388058 [0,0,1,0,1,0|1,0,1]=4 769 B14R1.3135 COC1=CC=CC=C1CC(N)C(=O)O MCULE-7654558931 [0,0,1,0,1,0|1,0,1]=4 770 B14R1.3135 COC1=CC=CC=C1CC(N)C(=O)O MCULE-7964251550 [0,0,1,0,1,0|1,0,1]=4 771 B14R1.3135 COC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-4857970863 [0,0,1,0,1,0|1,0,1]=4 772 B14R1.3135 COC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-4045334384 [0,0,1,0,1,0|1,0,1]=4 773 B14R1.3135 COC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-8323814617 [0,0,1,0,1,0|1,0,1]=4 774 B14R1.3135 N#CC1=CC=CC=C1CC(N)C(=O)O MCULE-3576035643 [0,0,1,0,1,0|2,0,0]=4 775 B14R1.3135 N#CC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-5237076135 [0,0,1,0,1,0|2,0,0]=4 776 B14R1.3135 N#CC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-9511534211 [0,0,1,0,1,0|2,0,0]=4 777 B14R1.3135 N#CC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-2897581748 [0,0,1,0,1,0|2,0,0]=4 778 B14R1.3135 N#CC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-9982662496 [0,0,1,0,1,0|2,0,0]=4 779 B14R1.3135 NCC1=C(C=CC=C1)CC(N)C(=O)O MCULE-9769901317 [0,0,1,0,1,0|2,0,0]=4 780 B14R1.3135 NCC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-5332717125 [0,0,1,0,1,0|2,0,0]=4 781 B14R1.3135 NCC1=CC=CC=C1C[C@@H](N)C(=O)O MCULE-6442189351 [0,0,1,0,1,0|2,0,0]=4 782 B14R1.3135 NCC1=CC=CC=C1C[C@H](N)C(=O)O MCULE-5929986297 [0,0,1,0,1,0|2,0,0]=4 783 B14R1.6449 C[C@H](NC=CC1=CC=CC=C1)C(=O)O MCULE-4921236088 [0,0,1,0,1,0|2,0,0]=4 784 B14R1.6449 NC(CC=CC1=CC=CC=C1)C(=O)O MCULE-7196661545 [0,0,1,0,1,0|0,0,0]=2 785 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O MCULE-2071259648 [0,0,1,0,1,0|0,0,2]=4 786 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O MCULE-2259185991 [0,0,1,0,1,0|0,0,2]=4 787 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O MCULE-6744199997 [0,0,1,0,1,0|0,0,2]=4 788 B14R1.6449 NC(CCSC1=CC=CC=C1)C(=O)O MCULE-9691823873 [0,0,1,0,1,0|1,0,1]=4 789 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O MCULE-2766111815 [0,0,1,0,1,0|1,0,1]=4 790 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O MCULE-6374115012 [0,0,1,0,1,0|1,0,1]=4 791 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O MCULE-1265516997 [0,0,1,0,1,0|1,0,1]=4 792 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O MCULE-3785059492 [0,0,1,0,1,0|1,0,1]=4 793 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O MCULE-4220887608 [0,0,1,0,1,0|1,0,1]=4 794 B14R1.6449 NC(CSCC1=CC=CC=C1)C(=O)O MCULE-3555968169 [0,0,1,0,1,0|1,0,1]=4 795 B14R1.6449 N[C@@H](C/C=C/C1=CC=CC=C1)C(=O)O MCULE-9803225081 [0,0,1,0,1,0|0,0,0]=2 796 B14R1.6449 N[C@@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-4420161023 [0,0,1,0,1,0|0,0,0]=2 797 B14R1.6449 N[C@@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-6790230250 [0,0,1,0,1,0|0,0,0]=2 798 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O MCULE-2756543981 [0,0,1,0,1,0|0,0,2]=4 799 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O MCULE-7030141620 [0,0,1,0,1,0|0,0,2]=4 800 B14R1.6449 N[C@@H](CNCC1=CC=CC=C1)C(=O)O MCULE-9388602453 [0,0,1,0,1,0|1,0,1]=4 801 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O MCULE-1645752790 [0,0,1,0,1,0|1,0,1]=4 802 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O MCULE-4924187710 [0,0,1,0,1,0|1,0,1]=4 803 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O MCULE-9074769708 [0,0,1,0,1,0|1,0,1]=4 804 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O MCULE-8245870814 [0,0,1,0,1,0|1,0,1]=4 805 B14R1.6449 N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O MCULE-6430858978 [0,0,1,0,1,0|0,0,0]=2 806 B14R1.6449 N[C@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-5314365954 [0,0,1,0,1,0|0,0,0]=2 807 B14R1.6449 N[C@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-7078050045 [0,0,1,0,1,0|0,0,0]=2 808 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O MCULE-2055410722 [0,0,1,0,1,0|0,0,2]=4 809 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O MCULE-4203953886 [0,0,1,0,1,0|0,0,2]=4 810 B14R1.6449 N[C@H](CCOC1=CC=CC=C1)C(=O)O MCULE-6604556539 [0,0,1,0,1,0|1,0,1]=4 811 B14R1.6449 N[C@H](CCOC1=CC=CC=C1)C(=O)O MCULE-9549451365 [0,0,1,0,1,0|1,0,1]=4 812 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O MCULE-1239208927 [0,0,1,0,1,0|1,0,1]=4 813 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O MCULE-8175142251 [0,0,1,0,1,0|1,0,1]=4 814 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-3647708151 [0,0,1,0,1,0|1,0,1]=4 815 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-5374236684 [0,0,1,0,1,0|1,0,1]=4 816 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-8269718987 [0,0,1,0,1,0|1,0,1]=4 817 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-8713253263 [0,0,1,0,1,0|1,0,1]=4 818 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O MCULE-6451916458 [0,0,1,0,1,0|1,0,1]=4 819 B14R1.6449 [C@@H](N)(CSCC1=CC=CC=C1)C(=O)O MCULE-1081523869 [0,0,1,0,1,0|1,0,1]=4 820 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O MCULE-9191796404 [0,0,1,0,1,0|1,0,1]=4 821 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O MCULE-5041324075 [0,0,1,0,1,0|1,0,1]=4 822 B14R1.243 NC1=C(C=CC=C1)C(O)C(N)C(=O)O MCULE-4762137124 [0,0,1,0,1,0|1,0,1]=4 823 B14R2.95 C=C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-1507417467 [1,0,0,0,1,0|1,0,0]=3 824 B14R2.95 C=C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-7776521460 [1,0,0,0,1,0|1,0,0]=3 825 B14R2.95 C=C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-2278442738 [1,0,0,0,1,0|2,0,0]=4 826 B14R2.95 C=C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-6428206593 [1,0,0,0,1,0|2,0,0]=4 827 B14R2.95 C=C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-5319397218 [1,0,0,0,1,0|1,0,0]=3 828 B14R2.95 C=C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-7048021326 [1,0,0,0,1,0|1,0,0]=3 829 B14R2.95 C=C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-1338956695 [1,0,0,0,1,0|2,0,0]=4 830 B14R2.95 C=C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-7917693904 [1,0,0,0,1,0|2,0,0]=4 831 B14R2.95 CCC(N)C1=CNC2=CC=CC=C12 MCULE-9601467684 [1,0,0,0,1,0|1,0,1]=4 832 B14R2.95 CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-2548857475 [1,0,0,0,1,0|1,0,1]=4 833 B14R2.95 CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-9595198478 [1,0,0,0,1,0|1,0,1]=4 834 B14R2.95 CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-3952399591 [1,0,0,0,1,0|1,0,1]=4 835 B14R2.95 CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-7708332324 [1,0,0,0,1,0|1,0,1]=4 836 B14R2.95 N/C(=N\O)/C1=CNC2=C1C=CC=C2 MCULE-8498332228 [1,0,0,0,1,0|1,0,1]=4 837 B14R2.95 NC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-6862059399 [1,0,0,0,1,0|1,0,1]=4 838 B14R2.95 NC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-9802671952 [1,0,0,0,1,0|1,0,1]=4 839 B14R2.95 NC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-7518677701 [1,0,0,0,1,0|1,0,1]=4 840 B14R2.95 NC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-8036912777 [1,0,0,0,1,0|1,0,1]=4 841 B14R2.95 N[C@@H](CF)C1=CNC2=CC=CC=C12 MCULE-4520685200 [1,0,0,0,1,0|1,0,1]=4 842 B14R2.95 N[C@@H](CF)C1=CNC2=CC=CC=C12 MCULE-6762295141 [1,0,0,0,1,0|1,0,1]=4 843 B14R2.95 N[C@@H](CO)C1=CNC2=CC=CC=C12 MCULE-7740304645 [1,0,0,0,1,0|0,0,1]=3 844 B14R2.95 N[C@@H](CO)C1=CNC2=CC=CC=C12 MCULE-8814916599 [1,0,0,0,1,0|0,0,1]=3 845 B14R2.95 N[C@@H](CO)C1=CSC2=C1C=CC=C2 MCULE-6587964835 [1,0,0,0,1,0|1,0,1]=4 846 B14R2.95 N[C@@H](CO)C1=CSC2=C1C=CC=C2 MCULE-8348007962 [1,0,0,0,1,0|1,0,1]=4 847 B14R2.95 N[C@H](CF)C1=CNC2=CC=CC=C12 MCULE-2440955777 [1,0,0,0,1,0|1,0,1]=4 848 B14R2.95 N[C@H](CF)C1=CNC2=CC=CC=C12 MCULE-4015036462 [1,0,0,0,1,0|1,0,1]=4 849 B14R2.95 N[C@H](CO)C1=CNC2=CC=CC=C12 MCULE-1415139011 [1,0,0,0,1,0|0,0,1]=3 850 B14R2.95 N[C@H](CO)C1=CNC2=CC=CC=C12 MCULE-7893842300 [1,0,0,0,1,0|0,0,1]=3 851 B14R2.95 N[C@H](CO)C1=CSC2=C1C=CC=C2 MCULE-6589014004 [1,0,0,0,1,0|1,0,1]=4 852 B14R2.95 N[C@H](CO)C1=CSC2=C1C=CC=C2 MCULE-9602729075 [1,0,0,0,1,0|1,0,1]=4 853 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-3484861085 [1,0,0,0,0,1|1,0,0]=3 854 B16R2.36 CC(=O)OCCC1=CNC2=C1C=CC=C2 MCULE-8819515006 [1,0,0,0,0,1|1,0,0]=3 855 B16R2.36 NC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-7880098416 [1,0,0,0,0,1|1,0,0]=3 856 B16R2.36 NC(=O)CSCC1=CNC2=CC=CC=C12 MCULE-2182477897 [1,0,0,0,0,1|1,0,0]=3 857 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 MCULE-5405095437 [1,0,0,0,0,1|1,0,0]=3 858 B16R2.36 NC(=S)CCCC1=CNC2=C1C=CC=C2 MCULE-9048575666 [1,0,0,0,0,1|1,1,0]=4 859 B16R2.36 NC(=S)NCCC1=CNC2=CC=CC=C12 MCULE-5137799018 [1,0,0,0,0,1|1,1,0]=4 860 B16R2.36 O=C(Cl)CCCC1=CNC2=CC=CC=C12 MCULE-5202346383 [1,0,0,0,0,1|1,0,0]=3 861 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 MCULE-1997278353 [1,0,0,0,0,1|0,0,0]=2 862 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 MCULE-5867337649 [1,0,0,0,0,1|1,0,0]=3 863 B16R2.36 O=C(O)CCCN1C=NC2=C1C=CC=C2 MCULE-1883575296 [1,0,0,0,0,1|1,0,1]=4 864 B16R2.36 O=C(O)CCCN1C=NC2=CC=CC=C12 MCULE-3329921832 [1,0,0,0,0,1|1,0,1]=4 865 B16R2.36 O=C(O)CCSC1=CNC2=C1C=CC=C2 MCULE-1489776866 [1,0,0,0,0,1|0,0,0]=2 866 B16R2.36 O=C(O)CSCC1=CNC2=CC=CC=C12 MCULE-1572443329 [1,0,0,0,0,1|0,0,0]=2 867 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 MCULE-4353856647 [1,0,0,0,0,1|0,0,1]=3 868 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2576748975 [1,0,0,0,0,1|1,0,0]=3 869 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 MCULE-1008565666 [1,0,0,0,0,1|0,0,1]=3 870 B16R2.477 O=C(O)CCC1=NC2=C(C=CC=C2)C=C1 MCULE-7965912465 [1,0,0,0,0,1|1,0,0]=3 871 B16R2.477 O=C(O)CCC1=NC2=CC=CC=C2N=C1 MCULE-2777540649 [1,0,0,0,0,1|0,0,1]=3 872 B16R2.477 O=C(O)CCC1CNC2=C(C1)C=CC=C2 MCULE-2121494011 [1,0,0,0,0,1|0,0,2]=4 873 B16R2.477 O=C(O)CNC1=CC=C2C=CC=CC2=C1 MCULE-1725837215 [1,0,0,0,0,1|2,0,0]=4 874 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 MCULE-2200583599 [1,0,0,0,0,1|2,0,0]=4 875 B16R2.477 O=C(O)COC1=CN=C2C=CC=CC2=N1 MCULE-1294704493 [1,0,0,0,0,1|1,0,1]=4 876 B16R2.477 O=C(O)CSC1=CC=C2C=CC=CC2=C1 MCULE-6862066159 [1,0,0,0,0,1|2,0,0]=4 877 B16R2.477 O=C(O)CSC1=CN=C2C=CC=CC2=N1 MCULE-7021051755 [1,0,0,0,0,1|1,0,1]=4 878 B16R2.477 O=C(O)CSC1=NC2=CC=CC=C2C=C1 MCULE-2054471536 [1,0,0,0,0,1|2,0,0]=4 879 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CC=C1 MCULE-8933922318 [1,0,0,0,0,1|2,0,0]=4 880 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 MCULE-6509347005 [1,0,0,0,0,1|1,0,1]=4 881 B16R2.179941 NC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1931911212 [1,0,0,0,0,1|2,0,0]=4 882 B16R2.179941 O=C(Cl)CCC1=CC=CC2=CC=CC=C12 MCULE-3633070188 [1,0,0,0,0,1|2,0,0]=4 883 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 MCULE-6755596415 [1,0,0,0,0,1|1,0,0]=3 884 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 MCULE-4075360632 [1,0,0,0,0,1|0,0,1]=3 885 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 MCULE-1182257474 [1,0,0,0,0,1|0,0,1]=3 886 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-2558389451 [1,0,0,0,0,1|2,0,0]=4 887 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-4917197129 [1,0,0,0,0,1|2,0,0]=4 888 B16R2.179941 O=C(O)CCC1=CCCC2=C1C=CC=C2 MCULE-3365793903 [1,0,0,0,0,1|1,0,0]=3 889 B16R2.179941 O=C(O)CCC1=NC=NC2=CC=CC=C12 MCULE-8762925874 [1,0,0,0,0,1|0,0,1]=3 890 B16R2.179941 O=C(O)CNC1=CC=CC2=C1C=CC=C2 MCULE-3493254762 [1,0,0,0,0,1|2,0,0]=4 891 B16R2.179941 O=C(O)CNC1=NC=NC2=CC=CC=C12 MCULE-3120766562 [1,0,0,0,0,1|1,0,1]=4 892 B16R2.179941 O=C(O)CNC1=[NH+]C=NC2=CC=CC=C12 MCULE-6414093657 [1,0,0,0,0,1|1,0,1]=4 893 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 MCULE-2007375815 [1,0,0,0,0,1|2,0,0]=4 894 B16R2.179941 O=C(O)COC1=CC=NC2=C1C=CC=C2 MCULE-7950847031 [1,0,0,0,0,1|1,0,1]=4 895 B16R2.179941 O=C(O)COC1=NC=NC2=C1C=CC=C2 MCULE-8759024337 [1,0,0,0,0,1|1,0,1]=4 896 B16R2.179941 O=C(O)COC1=NC=NC2=CC=CC=C12 MCULE-1455020973 [1,0,0,0,0,1|1,0,1]=4 897 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=C1 MCULE-4972551873 [1,0,0,0,0,1|2,0,0]=4 898 B16R2.179941 O=C(O)CSC1=NC=CC2=CC=CC=C12 MCULE-9011967010 [1,0,0,0,0,1|2,0,0]=4 899 B16R2.179941 O=C(O)CSC1=NC=NC2=CC=CC=C12 MCULE-7493201034 [1,0,0,0,0,1|1,0,1]=4 900 B18R2.12980 NC(CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2057116396 [0,0,0,0,0,2|1,0,0]=3 901 B18R2.12980 N[C@@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-8154439015 [0,0,0,0,0,2|1,0,0]=3 902 B18R2.12980 N[C@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2542758154 [0,0,0,0,0,2|1,0,0]=3 903 B18R2.12980 N[C@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-4336994641 [0,0,0,0,0,2|1,0,0]=3 904 B18R2.2417296 CC(SCC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2652256206 [0,0,0,0,0,2|2,0,0]=4 905 B18R2.11 O=C(O)CNC(=O)CC1=CNC2=C1C=CC=C2 MCULE-7715360013 [0,0,0,0,0,2|1,0,1]=4 906 B18R2.71948 NC(CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-6797786349 [0,0,0,0,0,2|1,0,0]=3 907 B18R2.71948 NC(CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-3843004185 [0,0,0,0,0,2|1,0,0]=3 908 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-2687919760 [0,0,0,0,0,2|1,0,0]=3 909 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-3714648018 [0,0,0,0,0,2|1,0,0]=3 910 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-4785055121 [0,0,0,0,0,2|1,0,0]=3 911 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-7647901070 [0,0,0,0,0,2|1,0,0]=3 912 B18R2.71948 N[C@H](CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-2765510430 [0,0,0,0,0,2|1,0,0]=3 913 B18R2.71948 N[C@H](CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-5563402622 [0,0,0,0,0,2|1,0,0]=3 914 B18R2.71948 N[C@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-5880152630 [0,0,0,0,0,2|1,0,0]=3 915 B18R2.71948 N[C@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-9682369853 [0,0,0,0,0,2|1,0,0]=3 916 B18R2.2880857 NC(CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3013238045 [0,0,0,0,0,2|1,0,0]=3 917 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=C1C=CC=C2 MCULE-9404785835 [0,0,0,0,0,2|1,0,0]=3 918 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-2019424542 [0,0,0,0,0,2|1,0,0]=3 919 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-5606757508 [0,0,0,0,0,2|1,0,0]=3 920 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3797651987 [0,0,0,0,0,2|1,0,0]=3 921 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-6033740850 [0,0,0,0,0,2|1,0,0]=3 922 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9124069558 [0,0,0,0,0,2|1,0,0]=3 923 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9676520382 [0,0,0,0,0,2|1,0,0]=3 924 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-4660850865 [0,0,0,0,0,2|1,0,0]=3 925 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-7551483483 [0,0,0,0,0,2|1,0,0]=3 926 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8192986605 [0,0,0,0,0,2|1,0,0]=3 927 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8398868747 [0,0,0,0,0,2|1,0,0]=3