0 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,0,0,0,0,0|1,0,0]=1 1 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.12 CC(=CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-9019172119 [0,0,0,0,0,0|2,0,2]=4 3 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O MCULE-5926856922 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.12 CC(CN1C=NC2=CC=CC=C12)C(=O)O MCULE-3505705922 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.12 CC(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-5963536990 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,0,0,0,0,0|3,0,0]=3 8 B16R2.12 C[C@H](NC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3072834173 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.12 C[C@H](NC1=CSC2=CC=CC=C12)C(=O)O MCULE-4939358545 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,0,0,0,0,0|0,0,0]=0 11 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,0,0,0,0,0|0,0,0]=0 12 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,0,0,0,0,0|0,0,0]=0 13 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,0,0,0,0,0|0,0,0]=0 14 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,0,0,0,0,0|0,0,0]=0 15 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,0,0,0,0,0|0,0,0]=0 16 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,0,0,0,0,0|1,0,0]=1 17 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,0,0,0,0,0|1,0,0]=1 18 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,0,0,0,0,0|2,0,0]=2 19 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,0,0,0,0,0|2,0,0]=2 20 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,0,0,0,0,0|2,0,0]=2 21 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O MCULE-9264840769 [0,0,0,0,0,0|3,0,0]=3 22 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,0,0,0,0,0|2,0,0]=2 23 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,0,0,0,0,0|2,0,0]=2 24 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,0,0,0,0,0|2,0,0]=2 25 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,0,0,0,0,0|2,0,0]=2 26 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O MCULE-5808639127 [0,0,0,0,0,0|2,0,1]=3 27 B16R2.12 NC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-9996063121 [0,0,0,0,0,0|3,0,1]=4 28 B16R2.12 N[C@@H](CC1=C2C=CNC=C2N=C1)C(=O)O MCULE-7476750105 [0,0,0,0,0,0|2,0,1]=3 29 B16R2.12 N[C@@H](CC1=C2NC=CC=C2N=C1)C(=O)O MCULE-9698297023 [0,0,0,0,0,0|2,0,1]=3 30 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,0,0,0,0,0|1,0,0]=1 31 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,0,0,0,0,0|1,0,0]=1 32 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,0,0,0,0,0|2,0,0]=2 33 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,0,0,0,0,0|2,0,0]=2 34 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,0,0,0,0,0|2,0,0]=2 35 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,0,0,0,0,0|2,0,0]=2 36 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,0,0,0,0,0|2,0,0]=2 37 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,0,0,0,0,0|2,0,0]=2 38 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,0,0,0,0,0|2,0,0]=2 39 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,0,0,0,0,0|2,0,0]=2 40 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,0,0,0,0,0|2,0,0]=2 41 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,0,0,0,0,0|2,0,0]=2 42 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-7595639482 [0,0,0,0,0,0|3,0,1]=4 43 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8773290838 [0,0,0,0,0,0|3,0,1]=4 44 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8783403149 [0,0,0,0,0,0|3,0,1]=4 45 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8945946277 [0,0,0,0,0,0|3,0,1]=4 46 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,0,0,0,0,0|1,0,0]=1 47 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,0,0,0,0,0|2,0,0]=2 48 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,0,0,0,0,0|1,0,0]=1 49 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,0,0,0,0,0|1,0,0]=1 50 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,0,0,0,0,0|2,0,0]=2 51 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,0,0,0,0,0|2,0,0]=2 52 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,0,0,0,0,0|2,0,0]=2 53 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,0,0,0,0,0|2,0,0]=2 54 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,0,0,0,0,0|2,0,0]=2 55 B16R2.12 O=C(O)C(=CC1=CNC2=CC=CC=C12)S MCULE-5398915682 [0,0,0,0,0,0|2,0,2]=4 56 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,0,0,0,0,0|2,0,1]=3 57 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,0,0,0,0,0|2,0,0]=2 58 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,0,0,0,0,0|2,0,0]=2 59 B15R2.4 CCC(N)CC1=CNC2=C1C=CC=C2 MCULE-5651076502 [1,0,0,0,0,0|1,0,1]=3 60 B15R2.4 CCC(N)CC1=CNC2=C1C=CC=C2 MCULE-8710039661 [1,0,0,0,0,0|1,0,1]=3 61 B15R2.4 CCC(N)CC1=CNC2=CC=CC=C12 MCULE-7617108096 [1,0,0,0,0,0|1,0,1]=3 62 B15R2.4 CC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2042856337 [1,0,0,0,0,0|1,0,1]=3 63 B15R2.4 CC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9961177523 [1,0,0,0,0,0|1,0,1]=3 64 B15R2.4 CNC(C)CC1=CNC2=C1C=CC=C2 MCULE-7812720422 [1,0,0,0,0,0|3,0,0]=4 65 B15R2.4 N/C(=N/O)/CC1=CNC2=C1C=CC=C2 MCULE-3765624297 [1,0,0,0,0,0|1,0,2]=4 66 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4101569242 [1,0,0,0,0,0|0,0,2]=3 67 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4419819481 [1,0,0,0,0,0|0,0,2]=3 68 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-8757853264 [1,0,0,0,0,0|0,0,2]=3 69 B15R2.4 NNC(=O)CC1=CNC2=C1C=CC=C2 MCULE-8651125112 [1,0,0,0,0,0|2,0,1]=4 70 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-5057169498 [1,0,0,0,0,0|0,0,2]=3 71 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-6263792283 [1,0,0,0,0,0|0,0,2]=3 72 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-7147570312 [1,0,0,0,0,0|0,0,2]=3 73 B15R2.4 N[C@@H](CO)CC1=CNC2=CC=CC=C12 MCULE-9591598328 [1,0,0,0,0,0|0,0,2]=3 74 B15R2.4 N[C@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-1258780591 [1,0,0,0,0,0|0,0,2]=3 75 B15R2.4 [C@@H](N)(CO)CC1=CNC2=C1C=CC=C2 MCULE-7424777740 [1,0,0,0,0,0|0,0,2]=3 76 B15R2.6 CC(=O)C=CC1=CNC2=CC=CC=C12 MCULE-1503677397 [1,0,0,0,0,0|1,0,2]=4 77 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [1,0,0,0,0,0|1,0,0]=2 78 B15R2.6 CC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-3225504435 [1,0,0,0,0,0|2,0,1]=4 79 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [1,0,0,0,0,0|2,0,0]=3 80 B15R2.6 CN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1451594833 [1,0,0,0,0,0|3,0,0]=4 81 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [1,0,0,0,0,0|0,0,0]=1 82 B15R2.6 NC(=O)CCN1C=CC2=CC=CC=C12 MCULE-8078725777 [1,0,0,0,0,0|2,0,0]=3 83 B15R2.6 NC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-6609412974 [1,0,0,0,0,0|1,0,1]=3 84 B15R2.6 NC(=O)CCN1N=NC2=CC=CC=C12 MCULE-7612674047 [1,0,0,0,0,0|2,0,1]=4 85 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [1,0,0,0,0,0|1,0,0]=2 86 B15R2.6 O=C(O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-6532813939 [1,0,0,0,0,0|1,0,2]=4 87 B15R2.6 O=C(O)/C=C\C1=CNC2=CC=CC=C12 MCULE-5749603036 [1,0,0,0,0,0|1,0,2]=4 88 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 MCULE-2676235699 [1,0,0,0,0,0|1,0,2]=4 89 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [1,0,0,0,0,0|1,0,0]=2 90 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [1,0,0,0,0,0|2,0,0]=3 91 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [1,0,0,0,0,0|2,0,0]=3 92 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MCULE-2665228438 [1,0,0,0,0,0|3,0,0]=4 93 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [1,0,0,0,0,0|1,0,2]=4 94 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [1,0,0,0,0,0|3,0,0]=4 95 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [1,0,0,0,0,0|2,0,1]=4 96 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [1,0,0,0,0,0|2,0,1]=4 97 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [1,0,0,0,0,0|2,0,1]=4 98 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [1,0,0,0,0,0|3,0,0]=4 99 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [1,0,0,0,0,0|2,0,0]=3 100 B15R2.6 O=C([O-])C=CC1=CNC2=CC=CC=C12 MCULE-2887903829 [1,0,0,0,0,0|1,0,2]=4 101 B17R2.7 CNC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4418170102 [0,1,0,0,0,0|0,0,0]=1 102 B17R2.7 CNC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8806874695 [0,1,0,0,0,0|0,0,0]=1 103 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-2035601601 [0,1,0,0,0,0|0,0,0]=1 104 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-6400798643 [0,1,0,0,0,0|0,0,0]=1 105 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-1180328243 [0,1,0,0,0,0|2,0,0]=3 106 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-7472928093 [0,1,0,0,0,0|2,0,0]=3 107 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-1375533696 [0,1,0,0,0,0|1,0,0]=2 108 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4257766936 [0,1,0,0,0,0|1,0,0]=2 109 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6127245906 [0,1,0,0,0,0|1,0,0]=2 110 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6598811236 [0,1,0,0,0,0|1,0,0]=2 111 B17R2.7 COC(=O)C(N)CC1=CNC2=NC=CC=C12 MCULE-9983960597 [0,1,0,0,0,0|2,0,0]=3 112 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-3606983263 [0,1,0,0,0,0|1,0,0]=2 113 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4257219539 [0,1,0,0,0,0|1,0,0]=2 114 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-5014804775 [0,1,0,0,0,0|1,0,0]=2 115 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9077719590 [0,1,0,0,0,0|1,0,0]=2 116 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7078756778 [0,1,0,0,0,0|1,0,0]=2 117 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8527952510 [0,1,0,0,0,0|1,0,0]=2 118 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-7129192240 [0,1,0,0,0,0|1,0,0]=2 119 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-9568756958 [0,1,0,0,0,0|1,0,0]=2 120 B17R2.138 CC(C)(CC1=CNC2=C1C=CC=C2)N(=O)=O MCULE-1825726553 [0,1,0,0,0,0|3,0,0]=4 121 B17R2.138 CC(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1093341027 [0,1,0,0,0,0|1,0,0]=2 122 B17R2.138 CC(N)(CC1=CSC2=CC=CC=C12)C(=O)O MCULE-2962241833 [0,1,0,0,0,0|2,0,0]=3 123 B17R2.138 C[C@@](N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5227549219 [0,1,0,0,0,0|1,0,0]=2 124 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-1032417051 [0,1,0,0,0,0|1,0,0]=2 125 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9776911359 [0,1,0,0,0,0|1,0,0]=2 126 B17R2.289 CCC(CC1=CNC2=C1C=CC=C2)N(=O)=O MCULE-9130538759 [0,1,0,0,0,0|3,0,0]=4 127 B17R2.289 CCC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4925106628 [0,1,0,0,0,0|3,0,0]=4 128 B17R2.289 CNC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7141702170 [0,1,0,0,0,0|1,0,0]=2 129 B17R2.289 CN[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8843389672 [0,1,0,0,0,0|1,0,0]=2 130 B17R2.289 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-5394077858 [0,1,0,0,0,0|1,0,0]=2 131 B17R2.289 N#CC(=CC1=CNC2=C1C=CC=C2)C(=O)N MCULE-1937540924 [0,1,0,0,0,0|0,0,3]=4 132 B17R2.289 N#CC(CC1=CNC2=C1C=CC=C2)C(=O)N MCULE-8703390224 [0,1,0,0,0,0|0,0,1]=2 133 B17R2.2473 NC(CC1=CNC2=C1C=CC=C2)C(F)(F)F MCULE-3828066004 [0,1,0,0,0,0|2,0,1]=4 134 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 MCULE-2703698596 [0,1,0,0,0,0|3,0,0]=4 135 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 MCULE-6277286034 [0,1,0,0,0,0|3,0,0]=4 136 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-9937852409 [0,1,0,0,0,0|1,0,0]=2 137 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-1824211633 [0,1,0,0,0,0|1,0,0]=2 138 B17R2.3450 CC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-4659596714 [0,1,0,0,0,0|1,0,0]=2 139 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-6605711747 [0,1,0,0,0,0|1,0,0]=2 140 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-2906491763 [0,1,0,0,0,0|1,0,0]=2 141 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-1286010028 [0,1,0,0,0,0|1,0,0]=2 142 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-8867932631 [0,1,0,0,0,0|1,0,0]=2 143 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-1940415794 [0,1,0,0,0,0|1,0,0]=2 144 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-7527258915 [0,1,0,0,0,0|1,0,0]=2 145 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-4976314095 [0,1,0,0,0,0|1,0,0]=2 146 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-7358605304 [0,1,0,0,0,0|1,0,0]=2 147 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-6992128303 [0,1,0,0,0,0|1,0,0]=2 148 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-7013255700 [0,1,0,0,0,0|1,0,0]=2 149 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-5715446634 [0,1,0,0,0,0|1,0,0]=2 150 B17R2.3450 N[C@@H](CC1=CNC2=CC(=CC=C12)O)C(=O)O MCULE-8633803305 [0,1,0,0,0,0|1,0,0]=2 151 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-3985180412 [0,1,0,0,0,0|1,0,0]=2 152 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-5384453816 [0,1,0,0,0,0|1,0,0]=2 153 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-5639441116 [0,1,0,0,0,0|1,0,0]=2 154 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-3546576587 [0,1,0,0,0,0|1,0,0]=2 155 B17R2.3450 N[C@H](CC1=CNC2=CC(=CC=C12)Cl)C(=O)O MCULE-1070734277 [0,1,0,0,0,0|1,0,0]=2 156 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)CC(N)C(=O)O MCULE-2857724640 [0,1,0,0,0,0|1,0,0]=2 157 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|1,0,0]=2 158 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|1,0,0]=2 159 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|1,0,0]=2 160 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|1,0,0]=2 161 B17R2.5003 NC(CC1C(=O)NC2=C1C=CC=C2)C(=O)O MCULE-9798850281 [0,1,0,0,0,0|1,0,1]=3 162 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|1,0,0]=2 163 B17R2.5003 N[C@@H](CC1=C(NC2=CC=CC=C12)O)C(=O)O MCULE-1906654680 [0,1,0,0,0,0|1,0,0]=2 164 B17R2.5003 N[C@H](CC1=C(NC2=C1C=CC=C2)O)C(=O)O MCULE-8342568055 [0,1,0,0,0,0|1,0,0]=2 165 B17R2.25461 CC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-3634656065 [0,1,0,0,0,0|2,0,0]=3 166 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-2443598072 [0,1,0,0,0,0|1,0,0]=2 167 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7738289225 [0,1,0,0,0,0|1,0,0]=2 168 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-9418864808 [0,1,0,0,0,0|1,0,0]=2 169 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1225448414 [0,1,0,0,0,0|1,0,0]=2 170 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-2949078767 [0,1,0,0,0,0|1,0,0]=2 171 B17R2.25461 C[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1715365498 [0,1,0,0,0,0|2,0,0]=3 172 B17R2.25461 C[C@@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-2588526884 [0,1,0,0,0,0|2,0,0]=3 173 B17R2.25461 C[C@@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-6406587561 [0,1,0,0,0,0|2,0,0]=3 174 B17R2.25461 C[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5693385009 [0,1,0,0,0,0|2,0,0]=3 175 B17R2.25461 C[C@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-3348558853 [0,1,0,0,0,0|2,0,0]=3 176 B17R2.25461 C[C@H](NC1=CNC2=C1C=C(C=C2)Br)C(=O)N MCULE-9986063370 [0,1,0,0,0,0|2,0,0]=3 177 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-5918144303 [0,1,0,0,0,0|1,0,0]=2 178 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3783698618 [0,1,0,0,0,0|1,0,0]=2 179 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9875335869 [0,1,0,0,0,0|1,0,0]=2 180 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-6908956290 [0,1,0,0,0,0|1,0,0]=2 181 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-7475889550 [0,1,0,0,0,0|1,0,0]=2 182 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)I)C(=O)O MCULE-9649598054 [0,1,0,0,0,0|1,0,0]=2 183 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-6968549091 [0,1,0,0,0,0|1,0,0]=2 184 B17R2.25461 NC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-9494452708 [0,1,0,0,0,0|1,0,0]=2 185 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3333270561 [0,1,0,0,0,0|1,0,0]=2 186 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4194224675 [0,1,0,0,0,0|1,0,0]=2 187 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-5060457989 [0,1,0,0,0,0|1,0,0]=2 188 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9786648522 [0,1,0,0,0,0|1,0,0]=2 189 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5561117420 [0,1,0,0,0,0|1,0,0]=2 190 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-8287323983 [0,1,0,0,0,0|1,0,0]=2 191 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-1328548007 [0,1,0,0,0,0|1,0,0]=2 192 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3967393456 [0,1,0,0,0,0|1,0,0]=2 193 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4635672735 [0,1,0,0,0,0|1,0,0]=2 194 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1588677250 [0,1,0,0,0,0|1,0,0]=2 195 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-4149427296 [0,1,0,0,0,0|1,0,0]=2 196 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O MCULE-2691432843 [0,1,0,0,0,0|1,0,0]=2 197 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-3362841625 [0,1,0,0,0,0|1,0,0]=2 198 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-8672178602 [0,1,0,0,0,0|1,0,0]=2 199 B17R2.25461 [C@H](N)(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-7974218863 [0,1,0,0,0,0|1,0,0]=2 200 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3164724457 [0,1,0,0,0,0|1,0,0]=2 201 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3535314200 [0,1,0,0,0,0|1,0,0]=2 202 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@@H](N)C(=O)O MCULE-2917178207 [0,1,0,0,0,0|1,0,0]=2 203 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-2282796001 [0,1,0,0,0,0|1,0,0]=2 204 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-7459867675 [0,1,0,0,0,0|1,0,0]=2 205 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6596607370 [0,1,0,0,0,0|1,0,0]=2 206 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-4785714748 [0,1,0,0,0,0|1,0,0]=2 207 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-7551772366 [0,1,0,0,0,0|1,0,0]=2 208 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-2444975774 [0,1,0,0,0,0|1,0,0]=2 209 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-1850008985 [0,1,0,0,0,0|1,0,0]=2 210 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-4657811205 [0,1,0,0,0,0|1,0,0]=2 211 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2O)C(=O)O MCULE-3480630187 [0,1,0,0,0,0|1,0,0]=2 212 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-2706903351 [0,1,0,0,0,0|1,0,0]=2 213 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6965964776 [0,1,0,0,0,0|1,0,0]=2 214 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-3378344305 [0,1,0,0,0,0|1,0,0]=2 215 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3743607795 [0,1,0,0,0,0|1,0,0]=2 216 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-9761111560 [0,1,0,0,0,0|1,0,0]=2 217 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2F)C(=O)O MCULE-1137381744 [0,1,0,0,0,0|1,0,0]=2 218 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-3304468746 [0,1,0,0,0,0|1,0,0]=2 219 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6816615537 [0,1,0,0,0,0|1,0,0]=2 220 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-1537250123 [0,1,0,0,0,0|1,0,0]=2 221 B17R2.37147 N[C@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3664115172 [0,1,0,0,0,0|1,0,0]=2 222 B17R2.37552 CC1=C2C(=CNC2=CC=C1)CC(N)C(=O)O MCULE-3450403426 [0,1,0,0,0,0|1,0,0]=2 223 B17R2.37552 CC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O MCULE-7669211774 [0,1,0,0,0,0|1,0,0]=2 224 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9183830250 [0,1,0,0,0,0|1,0,0]=2 225 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9713571719 [0,1,0,0,0,0|1,0,0]=2 226 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-7572211598 [0,1,0,0,0,0|1,0,0]=2 227 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-8809191037 [0,1,0,0,0,0|1,0,0]=2 228 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3710888909 [0,1,0,0,0,0|1,0,0]=2 229 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5876038008 [0,1,0,0,0,0|1,0,0]=2 230 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-8052472538 [0,1,0,0,0,0|1,0,0]=2 231 B17R2.37552 NC(CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-8458955793 [0,1,0,0,0,0|1,0,0]=2 232 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-6419206552 [0,1,0,0,0,0|1,0,0]=2 233 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-8687655498 [0,1,0,0,0,0|1,0,0]=2 234 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-5535555262 [0,1,0,0,0,0|1,0,0]=2 235 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-7896753105 [0,1,0,0,0,0|1,0,0]=2 236 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-2776991776 [0,1,0,0,0,0|1,0,0]=2 237 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-4848944007 [0,1,0,0,0,0|1,0,0]=2 238 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-3901457897 [0,1,0,0,0,0|1,0,0]=2 239 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-7147285849 [0,1,0,0,0,0|1,0,0]=2 240 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3435001533 [0,1,0,0,0,0|1,0,0]=2 241 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-5473935751 [0,1,0,0,0,0|1,0,0]=2 242 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-9400287128 [0,1,0,0,0,0|1,0,0]=2 243 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-1602631164 [0,1,0,0,0,0|1,0,0]=2 244 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5300561098 [0,1,0,0,0,0|1,0,0]=2 245 B17R2.37552 N[C@H](CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-5221063985 [0,1,0,0,0,0|1,0,0]=2 246 B17R2.45515 CC(C1=CNC2=C1C=CC=C2)C(O)C(=O)O MCULE-6640012615 [0,1,0,0,0,0|2,0,0]=3 247 B17R2.78536 C(N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-1625887826 [0,1,0,0,0,0|1,0,0]=2 248 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@@H](N)C(=O)O MCULE-1710860862 [0,1,0,0,0,0|1,0,0]=2 249 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-4599117696 [0,1,0,0,0,0|1,0,0]=2 250 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-6954327922 [0,1,0,0,0,0|1,0,0]=2 251 B17R2.78536 [C@@H](N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-5120236173 [0,1,0,0,0,0|1,0,0]=2 252 B15R1.5793 NC1=C(C=CC=C1)C(=O)CC(N)C(=O)O MCULE-6365994952 [0,0,1,0,0,0|2,0,0]=3 253 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-3000532519 [0,0,1,0,0,0|2,0,0]=3 254 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-4921407586 [0,0,1,0,0,0|2,0,0]=3 255 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@H](N)C(=O)O MCULE-9931264693 [0,0,1,0,0,0|2,0,0]=3 256 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O MCULE-5768672194 [0,0,1,0,0,0|2,0,0]=3 257 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-4252266743 [0,0,1,0,0,0|2,0,0]=3 258 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-6921924741 [0,0,1,0,0,0|2,0,0]=3 259 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-2954767871 [0,0,1,0,0,0|2,0,0]=3 260 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-3184741194 [0,0,1,0,0,0|2,0,0]=3 261 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-5938770114 [0,0,1,0,0,0|2,0,0]=3 262 B15R1.5793 N[C@H](CC(=O)C1=CC=CC=C1O)C(=O)O MCULE-9198472086 [0,0,1,0,0,0|3,0,0]=4 263 B17R3.65033 O=C(O)C1=CC2=C(N1)NC3=CC=CC=C23 MCULE-2332208189 [0,0,0,1,0,0|1,0,2]=4 264 B17R3.65033 O=C(O)C1CC2=C(C1)C3=C(N2)C=CC=C3 MCULE-4512034780 [0,0,0,1,0,0|2,0,0]=3 265 B15R2.1255 NC(=O)C(=O)C1=CNC2=C1C=CC=C2 MCULE-8079887802 [0,0,0,0,1,0|1,0,1]=3 266 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-5090588064 [0,0,0,0,1,0|1,0,0]=2 267 B15R2.1255 NC(=O)C(N)C1=NNC2=CC=CC=C12 MCULE-8006798471 [0,0,0,0,1,0|1,0,0]=2 268 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-3418323043 [0,0,0,0,1,0|1,0,0]=2 269 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=N2 MCULE-6611768328 [0,0,0,0,1,0|2,0,0]=3 270 B15R2.1255 N[C@@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-2395300273 [0,0,0,0,1,0|2,0,1]=4 271 B15R2.1255 N[C@@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-6931434908 [0,0,0,0,1,0|2,0,1]=4 272 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2652998695 [0,0,0,0,1,0|1,0,0]=2 273 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C12 MCULE-9368537487 [0,0,0,0,1,0|1,0,0]=2 274 B15R2.1255 N[C@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-3704525825 [0,0,0,0,1,0|2,0,1]=4 275 B15R2.1255 N[C@H](C1=CNC2=CC=CC=C12)C(F)F MCULE-9778409025 [0,0,0,0,1,0|2,0,1]=4 276 B15R2.1255 O=C(Cl)C(=O)C1=CNC2=C1C=CC=C2 MCULE-9933419210 [0,0,0,0,1,0|2,0,1]=4 277 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 MCULE-3151156759 [0,0,0,0,1,0|2,0,1]=4 278 B15R2.1255 [NH3+][C@@H](C(=O)[O-])C1=CNC2=C1C=CC=C2 MCULE-2623705486 [0,0,0,0,1,0|1,0,1]=3 279 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [0,0,0,0,0,1|1,0,0]=2 280 B17R2.39 CC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-3550791751 [0,0,0,0,0,1|2,0,0]=3 281 B17R2.39 CC(CC1=CNC2=C1C=CC=C2)NC(=O)N MCULE-7752352556 [0,0,0,0,0,1|1,0,0]=2 282 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [0,0,0,0,0,1|1,0,0]=2 283 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [0,0,0,0,0,1|1,0,0]=2 284 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-5115224173 [0,0,0,0,0,1|2,0,0]=3 285 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-9379962356 [0,0,0,0,0,1|2,0,0]=3 286 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [0,0,0,0,0,1|1,0,0]=2 287 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [0,0,0,0,0,1|1,0,0]=2 288 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [0,0,0,0,0,1|1,0,0]=2 289 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [0,0,0,0,0,1|1,0,0]=2 290 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-2867145195 [0,0,0,0,0,1|2,0,0]=3 291 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-6646879167 [0,0,0,0,0,1|2,0,0]=3 292 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3636493320 [0,0,0,0,0,1|2,0,0]=3 293 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-7630794072 [0,0,0,0,0,1|2,0,0]=3 294 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [0,0,0,0,0,1|1,0,0]=2 295 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [0,0,0,0,0,1|1,0,0]=2 296 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [0,0,0,0,0,1|1,0,0]=2 297 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [0,0,0,0,0,1|1,0,0]=2 298 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-1597107796 [0,0,0,0,0,1|2,0,0]=3 299 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-3864990170 [0,0,0,0,0,1|2,0,0]=3 300 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3053632532 [0,0,0,0,0,1|2,0,0]=3 301 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-4953969691 [0,0,0,0,0,1|2,0,0]=3 302 B17R2.9167 CC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-2645994732 [0,0,0,0,0,1|3,0,0]=4 303 B17R2.9167 CC(CC1=NC2=C(C=CC=C2)N=C1)C(=O)O MCULE-5974144131 [0,0,0,0,0,1|2,0,1]=4 304 B17R2.9167 CC(OC1=CC=C2C=CC=CC2=C1)C(=O)N MCULE-1230047778 [0,0,0,0,0,1|3,0,0]=4 305 B17R2.9167 NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 MCULE-2074984558 [0,0,0,0,0,1|1,0,0]=2 306 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-6952461288 [0,0,0,0,0,1|2,0,0]=3 307 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-9711104731 [0,0,0,0,0,1|2,0,0]=3 308 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6903330528 [0,0,0,0,0,1|2,0,0]=3 309 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7107565830 [0,0,0,0,0,1|2,0,0]=3 310 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-8062406666 [0,0,0,0,0,1|2,0,0]=3 311 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-4097504210 [0,0,0,0,0,1|2,0,0]=3 312 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5929822596 [0,0,0,0,0,1|2,0,0]=3 313 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6838251171 [0,0,0,0,0,1|2,0,0]=3 314 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7044608619 [0,0,0,0,0,1|2,0,0]=3 315 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3308554372 [0,0,0,0,0,1|2,0,0]=3 316 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5015802007 [0,0,0,0,0,1|2,0,0]=3 317 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-7964984777 [0,0,0,0,0,1|2,0,0]=3 318 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-9822109349 [0,0,0,0,0,1|2,0,0]=3 319 B17R2.9167 N[C@@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-2235392937 [0,0,0,0,0,1|2,0,0]=3 320 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1713629999 [0,0,0,0,0,1|2,0,0]=3 321 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-6228267929 [0,0,0,0,0,1|2,0,0]=3 322 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-5020668122 [0,0,0,0,0,1|2,0,0]=3 323 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-9553125479 [0,0,0,0,0,1|2,0,0]=3 324 B17R2.9167 N[C@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3603574921 [0,0,0,0,0,1|2,0,0]=3 325 B17R2.9167 N[C@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-3393121490 [0,0,0,0,0,1|2,0,0]=3 326 B17R2.520754 CC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1824482825 [0,0,0,0,0,1|3,0,0]=4 327 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-1307398874 [0,0,0,0,0,1|2,0,1]=4 328 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-5466494858 [0,0,0,0,0,1|2,0,1]=4 329 B17R2.520754 CC(CC1=C2C=CC=CC2=NC=C1)C(=O)O MCULE-5939849585 [0,0,0,0,0,1|2,0,1]=4 330 B17R2.520754 CC(OC1=CC=CC2=CC=CC=C12)C(=O)N MCULE-6822634621 [0,0,0,0,0,1|3,0,0]=4 331 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1682014366 [0,0,0,0,0,1|2,0,0]=3 332 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7621787279 [0,0,0,0,0,1|2,0,0]=3 333 B17R2.520754 NC(CC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-4033199506 [0,0,0,0,0,1|2,0,0]=3 334 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-2185623458 [0,0,0,0,0,1|1,0,1]=3 335 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-4349632846 [0,0,0,0,0,1|1,0,1]=3 336 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4205242976 [0,0,0,0,0,1|2,0,0]=3 337 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4718361306 [0,0,0,0,0,1|2,0,0]=3 338 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7852162590 [0,0,0,0,0,1|2,0,0]=3 339 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8754238893 [0,0,0,0,0,1|2,0,0]=3 340 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3259277930 [0,0,0,0,0,1|1,0,1]=3 341 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6271768059 [0,0,0,0,0,1|1,0,1]=3 342 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6636488216 [0,0,0,0,0,1|1,0,1]=3 343 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6922954844 [0,0,0,0,0,1|1,0,1]=3 344 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2667281684 [0,0,0,0,0,1|2,0,0]=3 345 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4503526156 [0,0,0,0,0,1|2,0,0]=3 346 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8782361400 [0,0,0,0,0,1|2,0,0]=3 347 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-9955614853 [0,0,0,0,0,1|2,0,0]=3 348 B17R2.520754 N[C@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3795682049 [0,0,0,0,0,1|1,0,1]=3 349 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7684350557 [1,0,1,0,0,0|2,0,0]=4 350 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8675735814 [1,0,1,0,0,0|2,0,0]=4 351 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-3401135195 [1,0,1,0,0,0|2,0,0]=4 352 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-6288791296 [1,0,1,0,0,0|2,0,0]=4 353 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7943523013 [1,0,1,0,0,0|2,0,0]=4 354 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8818952296 [1,0,1,0,0,0|2,0,0]=4 355 B14R1.540 NN=C(CCC(=O)O)C1=CC=CC=C1 MCULE-6558474133 [1,0,1,0,0,0|2,0,0]=4 356 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [2,0,0,0,0,0|1,0,1]=4 357 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 MCULE-6417482430 [2,0,0,0,0,0|0,0,1]=3 358 B14R2.2 CC(N)CC1=CSC2=CC=CC=C12 MCULE-6169331711 [2,0,0,0,0,0|1,0,1]=4 359 B14R2.2 CC(O)CC1=CNC2=CC=CC=C12 MCULE-4095237423 [2,0,0,0,0,0|1,0,1]=4 360 B14R2.2 CC([NH3+])CC1=CNC2=C1C=CC=C2 MCULE-6948366681 [2,0,0,0,0,0|0,0,2]=4 361 B14R2.2 C[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8293811191 [2,0,0,0,0,0|0,0,1]=3 362 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-5882898867 [2,0,0,0,0,0|0,0,2]=4 363 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-6089875221 [2,0,0,0,0,0|0,0,2]=4 364 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [2,0,0,0,0,0|0,0,1]=3 365 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 MCULE-3382342505 [2,0,0,0,0,0|1,0,1]=4 366 B14R2.2 NC(=S)CC1=CNC2=C1C=CC=C2 MCULE-8809650069 [2,0,0,0,0,0|0,1,1]=4 367 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 MCULE-6562481749 [2,0,0,0,0,0|1,0,1]=4 368 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 MCULE-9266736782 [2,0,0,0,0,0|1,0,1]=4 369 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-3608225852 [2,0,0,0,0,0|1,0,1]=4 370 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-7228643156 [2,0,0,0,0,0|1,0,1]=4 371 B14R2.3 N#CCCC1=CNC2=CC=CC=C12 MCULE-9844349638 [2,0,0,0,0,0|0,0,2]=4 372 B14R2.3 NCCCC1=CNC2=C1C=CC=N2 MCULE-6962821583 [2,0,0,0,0,0|1,0,1]=4 373 B14R2.3 NCCCC1=CNC2=CC=CC=C12 MCULE-4742640218 [2,0,0,0,0,0|0,0,1]=3 374 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 MCULE-5852531217 [2,0,0,0,0,0|1,0,1]=4 375 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 MCULE-6122840857 [2,0,0,0,0,0|1,0,1]=4 376 B14R2.3 NNCCC1=CNC2=CC=CC=C12 MCULE-3881420803 [2,0,0,0,0,0|1,0,0]=3 377 B14R2.3 O=CCCC1=CNC2=CC=CC=C12 MCULE-6631491514 [2,0,0,0,0,0|0,0,0]=2 378 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 MCULE-2483523215 [2,0,0,0,0,0|0,0,2]=4 379 B14R2.3 OOCCC1=CNC2=CC=CC=C12 MCULE-6615259809 [2,0,0,0,0,0|1,0,1]=4 380 B16R1.4122 NC(=O)C(N)CC(=O)OCC1=CC=CC=C1 MCULE-1654754565 [0,1,1,0,0,0|2,0,0]=4 381 B16R1.4122 NC(=O)C(N)CC(=O)OCC1=CC=CC=C1 MCULE-4688292910 [0,1,1,0,0,0|2,0,0]=4 382 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-5756319952 [0,1,1,0,0,0|2,0,0]=4 383 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-6620750908 [0,1,1,0,0,0|2,0,0]=4 384 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-7198183962 [0,1,1,0,0,0|2,0,0]=4 385 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-8703872055 [0,1,1,0,0,0|2,0,0]=4 386 B16R1.4132 NC(CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-4806014342 [0,1,1,0,0,0|1,0,1]=4 387 B16R1.4132 N[C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-4718853827 [0,1,1,0,0,0|1,0,1]=4 388 B16R1.4132 N[C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-8213720069 [0,1,1,0,0,0|1,0,1]=4 389 B16R1.11263 NC1=C(C=CC=C1C(=O)CC(N)C(=O)O)O MCULE-6658253392 [0,1,1,0,0,0|2,0,0]=4 390 B16R1.11263 NC1=C(C=CC=C1C(=O)C[C@@H](N)C(=O)O)O MCULE-9748579037 [0,1,1,0,0,0|2,0,0]=4 391 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|2,0,0]=4 392 B16R2.5 CNC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1587513374 [1,1,0,0,0,0|0,0,1]=3 393 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C MCULE-4645482040 [1,1,0,0,0,0|1,0,1]=4 394 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C MCULE-9518606643 [1,1,0,0,0,0|1,0,1]=4 395 B16R2.176317 CCC(N)CC1=CNC2=C1C(=CC=C2)C MCULE-9940652037 [1,1,0,0,0,0|1,0,1]=4 396 B16R2.176359 CCC(N)CC1=CNC2=C1C=C(C=C2)F MCULE-1870500907 [1,1,0,0,0,0|1,0,1]=4 397 B16R2.176359 CCC(N)CC1=CNC2=CC=C(C=C12)F MCULE-1447048828 [1,1,0,0,0,0|1,0,1]=4 398 B16R2.14 CC(=NO)CCC1=CNC2=C1C=CC=C2 MCULE-4117218273 [1,1,0,0,0,0|1,0,1]=4 399 B16R2.14 CCC(=O)NCC1=CNC2=CC=CC=C12 MCULE-4306442128 [1,1,0,0,0,0|2,0,0]=4 400 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-6058936857 [1,1,0,0,0,0|1,0,0]=3 401 B16R2.14 NNC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-2439340262 [1,1,0,0,0,0|0,0,0]=2 402 B16R2.14 NNC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-6676301102 [1,1,0,0,0,0|1,0,1]=4 403 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]=4 404 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]=4 405 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]=4 406 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]=4 407 B16R2.520 CC(=O)CC(=O)C1=CNC2=C1C=CC=C2 MCULE-7778035018 [1,1,0,0,0,0|1,0,1]=4 408 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-1656451925 [1,1,0,0,0,0|1,0,0]=3 409 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2298347249 [1,1,0,0,0,0|1,0,0]=3 410 B16R2.520 N[C@@H](CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-4436493722 [1,1,0,0,0,0|1,0,0]=3 411 B16R2.2947 CN(=O)(C)CCC1=CNC2=C1C=CC=C2 MCULE-1626095060 [1,1,0,0,0,0|2,0,0]=4 412 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [1,1,0,0,0,0|1,0,0]=3 413 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Br MCULE-7968399311 [1,1,0,0,0,0|1,0,0]=3 414 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Cl MCULE-1091258850 [1,1,0,0,0,0|1,0,0]=3 415 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)F MCULE-5084506987 [1,1,0,0,0,0|1,0,0]=3 416 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)N MCULE-2768308411 [1,1,0,0,0,0|0,0,0]=2 417 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)SCC(=O)O MCULE-9641494982 [1,1,0,0,0,0|2,0,0]=4 418 B16R2.4003 CC1=C(C2=C(O1)C=CC=C2)CNC(=O)N MCULE-1200522848 [1,1,0,0,0,0|2,0,0]=4 419 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CCC(=O)O MCULE-2157412879 [1,1,0,0,0,0|1,0,0]=3 420 B16R2.4003 CC1=C(C2=CC=CN=C2N1)CCC(=O)O MCULE-2514335887 [1,1,0,0,0,0|2,0,0]=4 421 B16R2.4003 CC1=NC2=CC=CC=C2N1CCC(=O)N MCULE-4674227563 [1,1,0,0,0,0|1,0,1]=4 422 B16R2.4003 NC(=O)CCN1C(=O)OC2=C1C=CC=C2 MCULE-8942404337 [1,1,0,0,0,0|2,0,0]=4 423 B16R2.4003 NC(=O)N/N=C/1\C(=O)NC2=CC=CC=C12 MCULE-5648757054 [1,1,0,0,0,0|2,0,0]=4 424 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [1,1,0,0,0,0|1,0,1]=4 425 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 MCULE-8426898486 [1,1,0,0,0,0|2,0,0]=4 426 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [1,1,0,0,0,0|1,0,0]=3 427 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [1,1,0,0,0,0|1,0,0]=3 428 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [1,1,0,0,0,0|0,0,0]=2 429 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [1,1,0,0,0,0|1,0,0]=3 430 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [1,1,0,0,0,0|1,0,0]=3 431 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [1,1,0,0,0,0|1,0,0]=3 432 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [1,1,0,0,0,0|1,0,0]=3 433 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [1,1,0,0,0,0|1,0,0]=3 434 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [1,1,0,0,0,0|1,0,0]=3 435 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O MCULE-4873321993 [1,1,0,0,0,0|1,0,0]=3 436 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)Br MCULE-3881669082 [1,1,0,0,0,0|1,0,0]=3 437 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)F MCULE-5570346888 [1,1,0,0,0,0|1,0,0]=3 438 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O MCULE-3911363614 [1,1,0,0,0,0|1,0,0]=3 439 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Br MCULE-4118032651 [1,1,0,0,0,0|1,0,0]=3 440 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Cl MCULE-4256140437 [1,1,0,0,0,0|1,0,0]=3 441 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)F MCULE-7647345792 [1,1,0,0,0,0|1,0,0]=3 442 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-1723021666 [1,1,0,0,0,0|1,0,0]=3 443 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)N MCULE-3627246897 [1,1,0,0,0,0|1,0,0]=3 444 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-6156123962 [1,1,0,0,0,0|2,0,0]=4 445 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-4973059418 [1,1,0,0,0,0|1,0,0]=3 446 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-9879778332 [1,1,0,0,0,0|1,0,0]=3 447 B16R2.495 CC(C)(C(=O)O)C1=CNC2=CC=CC=C12 MCULE-7236703743 [0,1,0,0,1,0|2,0,0]=4 448 B16R2.4002 CC1=C(C2=C(N1)C=CC=C2)C(=O)C(=O)N MCULE-7922823436 [0,1,0,0,1,0|1,0,1]=4 449 B16R2.12530 CC1=CC2=C(C=C1)C(=CN2)C(=O)C(=O)N MCULE-5505188874 [0,1,0,0,1,0|1,0,1]=4 450 B16R2.15550 NC(=O)C(=O)C1=CNC2=CC=C(C=C12)Br MCULE-1776489412 [0,1,0,0,1,0|1,0,1]=4 451 B16R2.104521 CC(C(=O)O)C1=CN(C2=C1C=CC=C2)C MCULE-6306789821 [0,1,0,0,1,0|2,0,0]=4 452 B16R2.104521 CN1C=C(C2=C1C=CC=C2)C(=O)C(=O)N MCULE-6032095067 [0,1,0,0,1,0|1,0,1]=4 453 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=C1C=CC=C2 MCULE-4223568421 [0,1,0,0,0,1|2,0,0]=4 454 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=CC=CC=C12 MCULE-8658266674 [0,1,0,0,0,1|2,0,0]=4 455 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-2631192696 [0,1,0,0,0,1|1,0,0]=3 456 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-8886917046 [0,1,0,0,0,1|1,0,0]=3 457 B18R2.1 CC(CC1=CNC2=CC=CC=C12)NC(=O)CCl MCULE-9634480354 [0,1,0,0,0,1|2,0,0]=4 458 B18R2.1 CCC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-8652738369 [0,1,0,0,0,1|2,0,0]=4 459 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-4398334420 [0,1,0,0,0,1|2,0,0]=4 460 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-9347126929 [0,1,0,0,0,1|2,0,0]=4 461 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-3725850664 [0,1,0,0,0,1|2,0,0]=4 462 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-6416679592 [0,1,0,0,0,1|2,0,0]=4 463 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-7122700951 [0,1,0,0,0,1|2,0,0]=4 464 B18R2.30019 COC(=O)[C@@H](N)CC1=CC2=C(C=CC=C2)C=C1 MCULE-8496219457 [0,1,0,0,0,1|2,0,0]=4 465 B18R2.30019 COC(=O)[C@@H](N)CC1=CN=C2C=CC=CC2=C1 MCULE-8286312945 [0,1,0,0,0,1|1,0,1]=4 466 B18R2.30019 COC(=O)[C@H](N)CC1=CC=C2C=CC=CC2=C1 MCULE-2342781319 [0,1,0,0,0,1|2,0,0]=4 467 B18R2.30019 COC(=O)[C@H](N)CC1=CN=C2C=CC=CC2=C1 MCULE-7310576868 [0,1,0,0,0,1|1,0,1]=4 468 B18R2.559985 CC(N)(CC1=CC2=CC=CC=C2N=C1)C(=O)O MCULE-5251051306 [0,1,0,0,0,1|1,0,1]=4 469 B18R2.559985 CC(N)(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-9321080663 [0,1,0,0,0,1|2,0,0]=4 470 B18R2.559985 C[C@](N)(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2022868464 [0,1,0,0,0,1|2,0,0]=4 471 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-1302490434 [0,1,0,0,0,1|1,0,0]=3 472 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-4364204936 [0,1,0,0,0,1|1,0,0]=3 473 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-6753428328 [0,1,0,0,0,1|1,0,0]=3 474 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-3638909382 [0,1,0,0,0,1|1,0,0]=3 475 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-7636719783 [0,1,0,0,0,1|1,0,0]=3 476 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-2401720251 [0,1,0,0,0,1|1,0,0]=3 477 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-9615543713 [0,1,0,0,0,1|1,0,0]=3 478 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-5746838090 [0,1,0,0,0,1|2,0,0]=4 479 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-6917309468 [0,1,0,0,0,1|2,0,0]=4 480 B18R2.904449 COC(=O)C(N)CC1=CC=NC2=CC=CC=C12 MCULE-8054720274 [0,1,0,0,0,1|1,0,1]=4 481 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6594519142 [0,1,0,0,0,1|2,0,0]=4 482 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6734176014 [0,1,0,0,0,1|2,0,0]=4 483 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-7211773184 [0,1,0,0,0,1|2,0,0]=4 484 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-8323106792 [0,1,0,0,0,1|2,0,0]=4 485 B18R2.904449 COC(=O)[C@@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-9747316982 [0,1,0,0,0,1|1,0,1]=4 486 B18R2.904449 COC(=O)[C@@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-5696964089 [0,1,0,0,0,1|1,0,1]=4 487 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-1237739592 [0,1,0,0,0,1|2,0,0]=4 488 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-4372721823 [0,1,0,0,0,1|2,0,0]=4 489 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-5885546668 [0,1,0,0,0,1|2,0,0]=4 490 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-9036371325 [0,1,0,0,0,1|2,0,0]=4 491 B18R2.904449 COC(=O)[C@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-4380379524 [0,1,0,0,0,1|1,0,1]=4 492 B18R2.904449 COC(=O)[C@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-7354008110 [0,1,0,0,0,1|1,0,1]=4 493 B18R2.913225 NCC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8982161220 [0,1,0,0,0,1|2,0,0]=4 494 B18R2.12 CCNC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-7648949388 [0,2,0,0,0,0|0,0,0]=2 495 B18R2.12 CCOC(=O)C(C)CC1=CNC2=C1C=CC=C2 MCULE-8973948474 [0,2,0,0,0,0|2,0,0]=4 496 B18R2.12 CCOC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-1160702577 [0,2,0,0,0,0|1,0,0]=3 497 B18R2.12 CCOC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8680277173 [0,2,0,0,0,0|1,0,0]=3 498 B18R2.12 CCOC(=O)C(N)CC1=CNC2=CC=CC=C12 MCULE-2303365788 [0,2,0,0,0,0|1,0,0]=3 499 B18R2.12 CCOC(=O)C(N)CC1=CNC2=CC=CC=C12 MCULE-8476154959 [0,2,0,0,0,0|1,0,0]=3 500 B18R2.12 CCOC(=O)C(N)CC1=CSC2=C1C=CC=C2 MCULE-2570148235 [0,2,0,0,0,0|2,0,0]=4 501 B18R2.12 CCOC(=O)C(N)CC1=CSC2=C1C=CC=C2 MCULE-9672420930 [0,2,0,0,0,0|2,0,0]=4 502 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-3863409010 [0,2,0,0,0,0|1,0,0]=3 503 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4026817600 [0,2,0,0,0,0|1,0,0]=3 504 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12 MCULE-4926715909 [0,2,0,0,0,0|1,0,0]=3 505 B18R2.12 CCOC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12 MCULE-7563382336 [0,2,0,0,0,0|1,0,0]=3 506 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1894264967 [0,2,0,0,0,0|1,0,0]=3 507 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4902329376 [0,2,0,0,0,0|1,0,0]=3 508 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6175732455 [0,2,0,0,0,0|1,0,0]=3 509 B18R2.12 CCOC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7187189228 [0,2,0,0,0,0|1,0,0]=3 510 B18R2.361 CNC(=O)C(N)CC1=CNC2=C1C=CC=C2Cl MCULE-6619981131 [0,2,0,0,0,0|0,0,0]=2 511 B18R2.361 COC(=O)C(N)CC1=CNC2=C1C=CC=C2Cl MCULE-1649106168 [0,2,0,0,0,0|1,0,0]=3 512 B18R2.361 COC(=O)[C@@H](N)CC1=CNC2=C(C=CC=C12)Cl MCULE-2471979033 [0,2,0,0,0,0|1,0,0]=3 513 B18R2.374 COC(=O)C(C)(N)CC1=CNC2=C1C=CC=C2 MCULE-7115254393 [0,2,0,0,0,0|1,0,0]=3 514 B18R2.374 COC(=O)C(C)(N)CC1=CNC2=C1C=CC=C2 MCULE-8059978467 [0,2,0,0,0,0|1,0,0]=3 515 B18R2.125811 COC(=O)C(N)CC1C(=O)NC2=CC=CC=C12 MCULE-5040247024 [0,2,0,0,0,0|1,0,1]=4 516 B18R2.125811 COC(=O)C(N)CC1C(=O)NC2=CC=CC=C12 MCULE-8053186686 [0,2,0,0,0,0|1,0,1]=4 517 B18R2.125811 COC(=O)[C@@H](N)CC1C(=O)NC2=C1C=CC=C2 MCULE-8806089921 [0,2,0,0,0,0|1,0,1]=4 518 B18R2.125811 COC(=O)[C@@H](N)CC1C(=O)NC2=C1C=CC=C2 MCULE-9899724555 [0,2,0,0,0,0|1,0,1]=4 519 B18R2.126667 COC(=O)C(N)CC1=CNC2=C1C=CC(=C2)F MCULE-2685458582 [0,2,0,0,0,0|1,0,0]=3 520 B18R2.126667 COC(=O)C(N)CC1=CNC2=C1C=CC(=C2)F MCULE-9364588864 [0,2,0,0,0,0|1,0,0]=3 521 B18R2.910620 COC(=O)C(N)CC1=CNC2=C1C(=CC=C2)F MCULE-7433901537 [0,2,0,0,0,0|1,0,0]=3 522 B18R2.910661 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)Br MCULE-2956534108 [0,2,0,0,0,0|1,0,0]=3 523 B18R2.910661 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)Br MCULE-5254331872 [0,2,0,0,0,0|1,0,0]=3 524 B18R2.910661 COC(=O)C(N)CC1=CNC2=CC=C(C=C12)O MCULE-1745486220 [0,2,0,0,0,0|1,0,0]=3 525 B18R2.910661 COC(=O)C(N)CC1=CNC2=CC=C(C=C12)O MCULE-2173932144 [0,2,0,0,0,0|1,0,0]=3 526 B18R2.910661 COC(=O)[C@@H](N)CC1=CNC2=C1C=C(C=C2)O MCULE-9918277449 [0,2,0,0,0,0|1,0,0]=3 527 B18R2.910661 COC(=O)[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-3861121669 [0,2,0,0,0,0|1,0,0]=3 528 B18R2.910661 COC(=O)[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-7467843654 [0,2,0,0,0,0|1,0,0]=3 529 B18R2.60850 CC1=C(C2=C(N1)C=CC=C2)CC(F)(F)C(=O)O MCULE-9390293978 [0,2,0,0,0,0|2,0,0]=4 530 B18R2.195 N#N=NC(CC1=CNC2=C1C=CC=C2)C(=O)[O-] MCULE-3387914750 [0,2,0,0,0,0|1,0,1]=4 531 B18R2.195 N#N=NC(CC1=CNC2=C1C=CC=C2)C(=O)[O-] MCULE-3617181669 [0,2,0,0,0,0|1,0,1]=4 532 B18R2.195 O=CNC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-1995708931 [0,2,0,0,0,0|1,0,0]=3 533 B18R2.195 [C@@H](CC1=CNC2=C1C=CC=C2)(NC=O)C(=O)O MCULE-4005857873 [0,2,0,0,0,0|1,0,0]=3 534 B18R2.195 [N-]=[N+]=N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7498116975 [0,2,0,0,0,0|1,0,1]=4 535 B18R2.195 [N-]=[N+]=N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7690528169 [0,2,0,0,0,0|1,0,1]=4 536 B18R2.195 [N-]=[N+]=N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3128289018 [0,2,0,0,0,0|1,0,1]=4 537 B18R2.195 [N-]=[N+]=N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3149784469 [0,2,0,0,0,0|1,0,1]=4 538 B18R2.7183 NC(=O)C(=CC1=CNC2=C1C=CC=C2)C(=O)N MCULE-7133002555 [0,2,0,0,0,0|0,0,2]=4 539 B18R2.609005 N#CC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)N MCULE-8468057834 [0,2,0,0,0,0|0,0,1]=3 540 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-3747477875 [0,2,0,0,0,0|1,0,0]=3 541 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-4096221799 [0,2,0,0,0,0|1,0,0]=3 542 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-6456851608 [0,2,0,0,0,0|1,0,0]=3 543 B18R2.3108 COC1=CC=C2C(=CNC2=C1)C[C@@H](N)C(=O)O MCULE-6821849236 [0,2,0,0,0,0|1,0,0]=3 544 B18R2.3108 COC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-6978202230 [0,2,0,0,0,0|1,0,0]=3 545 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-5728347170 [0,2,0,0,0,0|1,0,0]=3 546 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8098871559 [0,2,0,0,0,0|1,0,0]=3 547 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8897714296 [0,2,0,0,0,0|1,0,0]=3 548 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-3047279016 [0,2,0,0,0,0|1,0,0]=3 549 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-7513297188 [0,2,0,0,0,0|1,0,0]=3 550 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-2186418042 [0,2,0,0,0,0|1,0,0]=3 551 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7726461775 [0,2,0,0,0,0|1,0,0]=3 552 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1598609422 [0,2,0,0,0,0|1,0,0]=3 553 B18R2.120970 N#CC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-5668606434 [0,2,0,0,0,0|1,0,0]=3 554 B18R2.120970 N#CC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-6157538705 [0,2,0,0,0,0|1,0,0]=3 555 B18R2.120970 N#CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-3478591992 [0,2,0,0,0,0|1,0,0]=3 556 B18R2.104834 COC1=C2NC=C(C2=CC=C1)CC(N)C(=O)O MCULE-5974105944 [0,2,0,0,0,0|1,0,0]=3 557 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@@H](N)C(=O)O MCULE-3069474033 [0,2,0,0,0,0|1,0,0]=3 558 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@@H](N)C(=O)O MCULE-7052604099 [0,2,0,0,0,0|1,0,0]=3 559 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@H](N)C(=O)O MCULE-1674676449 [0,2,0,0,0,0|1,0,0]=3 560 B18R2.104834 COC1=C2NC=C(C2=CC=C1)C[C@H](N)C(=O)O MCULE-5484036230 [0,2,0,0,0,0|1,0,0]=3 561 B18R2.104834 COC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-4692458200 [0,2,0,0,0,0|1,0,0]=3 562 B18R2.105502 COC1=C2C(=CNC2=CC=C1)C[C@@H](N)C(=O)O MCULE-2107801720 [0,2,0,0,0,0|1,0,0]=3 563 B18R2.105502 COC1=C2C(=CNC2=CC=C1)C[C@H](N)C(=O)O MCULE-7826046230 [0,2,0,0,0,0|1,0,0]=3 564 B18R2.105502 COC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O MCULE-9243370450 [0,2,0,0,0,0|1,0,0]=3 565 B18R2.105502 COC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-7383822208 [0,2,0,0,0,0|1,0,0]=3 566 B18R2.254902 NC(CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-4490201261 [0,2,0,0,0,0|1,0,0]=3 567 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-1569191250 [0,2,0,0,0,0|1,0,0]=3 568 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-4569493787 [0,2,0,0,0,0|1,0,0]=3 569 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-6771199936 [0,2,0,0,0,0|1,0,0]=3 570 B18R2.254902 N[C@@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-7577649864 [0,2,0,0,0,0|1,0,0]=3 571 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-1169402447 [0,2,0,0,0,0|1,0,0]=3 572 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-4733607229 [0,2,0,0,0,0|1,0,0]=3 573 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-6416845443 [0,2,0,0,0,0|1,0,0]=3 574 B18R2.254902 N[C@H](CC1=CN(C2=C1C=CC=C2)C=O)C(=O)O MCULE-7554453210 [0,2,0,0,0,0|1,0,0]=3 575 B16R3.2583 NC1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-3649161710 [1,0,0,1,0,0|1,0,1]=4 576 B16R3.2583 NC1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-4789002335 [1,0,0,1,0,0|1,0,1]=4 577 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]=4 578 B16R3.2583 N[C@@H]1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-1614449060 [1,0,0,1,0,0|1,0,1]=4 579 B16R3.2583 N[C@H]1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-4777384764 [1,0,0,1,0,0|1,0,1]=4 580 B16R3.2583 N[C@H]1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-8998431018 [1,0,0,1,0,0|1,0,1]=4 581 B16R3.12359 NC1(CC1)CC2=CNC3=C2C=CC=C3 MCULE-6986158134 [1,0,0,1,0,0|1,0,1]=4 582 B16R3.12359 NC1(CC1)CC2=CNC3=C2C=CC=C3 MCULE-9324862197 [1,0,0,1,0,0|1,0,1]=4 583 B16R3.2637 NC1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-7431006251 [1,0,0,1,0,0|1,0,1]=4 584 B16R3.2637 O=C1CC2=C(CN1)C3=C(N2)C=CC=C3 MCULE-3979644775 [1,0,0,1,0,0|2,0,0]=4 585 B16R3.2637 O=C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-1954151692 [1,0,0,1,0,0|1,0,0]=3 586 B16R3.17569 O=C1CCC2=CNC3=C2C(=CC=C3)N1 MCULE-1424890738 [1,0,0,1,0,0|0,0,0]=2 587 B18R3.116932 O=C(O)C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-4262719832 [0,0,0,1,0,1|2,0,0]=4 588 B18R3.2886 O=C1NC(CO1)CC2=CNC3=C2C=CC=C3 MCULE-9763410290 [0,0,0,1,0,1|2,0,0]=4 589 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-3671680420 [0,0,0,1,0,1|2,0,0]=4 590 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-5259168916 [0,0,0,1,0,1|2,0,0]=4 591 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-7199937431 [0,0,0,1,0,1|2,0,0]=4 592 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-8291836045 [0,0,0,1,0,1|2,0,0]=4 593 B18R3.115616 O=C(O)C1CC2=C(C=N1)NC3=C2C=CC=C3 MCULE-6307330180 [0,1,0,1,0,0|1,0,1]=4 594 B18R3.115616 O=C(O)C1CC2=C(C=N1)NC3=C2C=CC=C3 MCULE-8845104099 [0,1,0,1,0,0|1,0,1]=4 595 B18R3.115616 O=C(O)C1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-3015576416 [0,1,0,1,0,0|1,0,0]=3 596 B18R3.115616 O=C(O)C1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-9387495303 [0,1,0,1,0,0|2,0,0]=4 597 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-3469904680 [0,1,0,1,0,0|1,0,0]=3 598 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-6645274526 [0,1,0,1,0,0|1,0,0]=3 599 B18R3.115616 O=C(O)[C@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-3848157652 [0,1,0,1,0,0|1,0,0]=3 600 B18R3.115616 O=C(O)[C@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-6297780312 [0,1,0,1,0,0|1,0,0]=3 601 B14R1.6449 NC(CC=CC1=CC=CC=C1)C(=O)O MCULE-7196661545 [0,0,1,0,1,0|1,0,0]=3 602 B14R1.6449 N[C@@H](C/C=C/C1=CC=CC=C1)C(=O)O MCULE-9803225081 [0,0,1,0,1,0|1,0,0]=3 603 B14R1.6449 N[C@@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-4420161023 [0,0,1,0,1,0|1,0,0]=3 604 B14R1.6449 N[C@@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-6790230250 [0,0,1,0,1,0|1,0,0]=3 605 B14R1.6449 N[C@H](C/C=C/C1=CC=CC=C1)C(=O)O MCULE-6430858978 [0,0,1,0,1,0|1,0,0]=3 606 B14R1.6449 N[C@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-5314365954 [0,0,1,0,1,0|1,0,0]=3 607 B14R1.6449 N[C@H](CC=CC1=CC=CC=C1)C(=O)O MCULE-7078050045 [0,0,1,0,1,0|1,0,0]=3 608 B14R2.95 C=C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-1507417467 [1,0,0,0,1,0|1,0,0]=3 609 B14R2.95 C=C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-7776521460 [1,0,0,0,1,0|1,0,0]=3 610 B14R2.95 C=C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-2278442738 [1,0,0,0,1,0|2,0,0]=4 611 B14R2.95 C=C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-6428206593 [1,0,0,0,1,0|2,0,0]=4 612 B14R2.95 C=C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-5319397218 [1,0,0,0,1,0|1,0,0]=3 613 B14R2.95 C=C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-7048021326 [1,0,0,0,1,0|1,0,0]=3 614 B14R2.95 C=C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-1338956695 [1,0,0,0,1,0|2,0,0]=4 615 B14R2.95 C=C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-7917693904 [1,0,0,0,1,0|2,0,0]=4 616 B14R2.95 CC(CN)C1=CNC2=C1C=CC=C2 MCULE-2524027121 [1,0,0,0,1,0|1,0,1]=4 617 B14R2.95 CC(CN)C1=CNC2=C1C=CC=C2 MCULE-8518594417 [1,0,0,0,1,0|1,0,1]=4 618 B14R2.95 CCC(N)C1=CNC2=CC=CC=C12 MCULE-9601467684 [1,0,0,0,1,0|1,0,1]=4 619 B14R2.95 CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-2548857475 [1,0,0,0,1,0|1,0,1]=4 620 B14R2.95 CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-9595198478 [1,0,0,0,1,0|1,0,1]=4 621 B14R2.95 CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-3952399591 [1,0,0,0,1,0|1,0,1]=4 622 B14R2.95 CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-7708332324 [1,0,0,0,1,0|1,0,1]=4 623 B14R2.95 C[C@@H](CN)C1=CNC2=C1C=CC=C2 MCULE-6876043306 [1,0,0,0,1,0|1,0,1]=4 624 B14R2.95 C[C@@H](CN)C1=CNC2=C1C=CC=C2 MCULE-8356316160 [1,0,0,0,1,0|1,0,1]=4 625 B14R2.95 NC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-6862059399 [1,0,0,0,1,0|0,0,1]=3 626 B14R2.95 NC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-9802671952 [1,0,0,0,1,0|0,0,1]=3 627 B14R2.95 NC[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-2158812331 [1,0,0,0,1,0|1,0,1]=4 628 B14R2.95 NC[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-9587262604 [1,0,0,0,1,0|1,0,1]=4 629 B14R2.95 NC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-7518677701 [1,0,0,0,1,0|0,0,1]=3 630 B14R2.95 NC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-8036912777 [1,0,0,0,1,0|0,0,1]=3 631 B14R2.95 NC[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-1509513367 [1,0,0,0,1,0|1,0,1]=4 632 B14R2.95 NC[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-3970432402 [1,0,0,0,1,0|1,0,1]=4 633 B14R2.95 N[C@@H](CF)C1=CNC2=CC=CC=C12 MCULE-4520685200 [1,0,0,0,1,0|1,0,1]=4 634 B14R2.95 N[C@@H](CF)C1=CNC2=CC=CC=C12 MCULE-6762295141 [1,0,0,0,1,0|1,0,1]=4 635 B14R2.95 N[C@@H](CO)C1=CNC2=CC=CC=C12 MCULE-7740304645 [1,0,0,0,1,0|0,0,2]=4 636 B14R2.95 N[C@@H](CO)C1=CNC2=CC=CC=C12 MCULE-8814916599 [1,0,0,0,1,0|0,0,2]=4 637 B14R2.95 N[C@H](CF)C1=CNC2=CC=CC=C12 MCULE-2440955777 [1,0,0,0,1,0|1,0,1]=4 638 B14R2.95 N[C@H](CF)C1=CNC2=CC=CC=C12 MCULE-4015036462 [1,0,0,0,1,0|1,0,1]=4 639 B14R2.95 N[C@H](CO)C1=CNC2=CC=CC=C12 MCULE-1415139011 [1,0,0,0,1,0|0,0,2]=4 640 B14R2.95 N[C@H](CO)C1=CNC2=CC=CC=C12 MCULE-7893842300 [1,0,0,0,1,0|0,0,2]=4 641 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-3484861085 [1,0,0,0,0,1|1,0,0]=3 642 B16R2.36 CC(=O)OCCC1=CNC2=C1C=CC=C2 MCULE-8819515006 [1,0,0,0,0,1|1,0,0]=3 643 B16R2.36 NC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-7880098416 [1,0,0,0,0,1|0,0,0]=2 644 B16R2.36 NC(=O)CSCC1=CNC2=CC=CC=C12 MCULE-2182477897 [1,0,0,0,0,1|0,0,0]=2 645 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 MCULE-5405095437 [1,0,0,0,0,1|0,0,0]=2 646 B16R2.36 NC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3098683675 [1,0,0,0,0,1|1,0,1]=4 647 B16R2.36 NC(=S)CCCC1=CNC2=C1C=CC=C2 MCULE-9048575666 [1,0,0,0,0,1|0,1,0]=3 648 B16R2.36 NC(=S)NCCC1=CNC2=CC=CC=C12 MCULE-5137799018 [1,0,0,0,0,1|0,1,0]=3 649 B16R2.36 O=C(Cl)CCCC1=CNC2=CC=CC=C12 MCULE-5202346383 [1,0,0,0,0,1|1,0,0]=3 650 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 MCULE-1997278353 [1,0,0,0,0,1|1,0,0]=3 651 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 MCULE-5867337649 [1,0,0,0,0,1|2,0,0]=4 652 B16R2.36 O=C(O)CCSC1=CNC2=C1C=CC=C2 MCULE-1489776866 [1,0,0,0,0,1|1,0,0]=3 653 B16R2.36 O=C(O)CSCC1=CNC2=CC=CC=C12 MCULE-1572443329 [1,0,0,0,0,1|1,0,0]=3 654 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 MCULE-4353856647 [1,0,0,0,0,1|1,0,0]=3 655 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 MCULE-7673773890 [1,0,0,0,0,1|2,0,0]=4 656 B16R2.477 NC(=O)CSC1=CC2=CC=CC=C2C=C1 MCULE-4007125842 [1,0,0,0,0,1|2,0,0]=4 657 B16R2.477 NC(=O)CSC1=NC2=CC=CC=C2C=C1 MCULE-2362556687 [1,0,0,0,0,1|2,0,0]=4 658 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2576748975 [1,0,0,0,0,1|2,0,0]=4 659 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 MCULE-1008565666 [1,0,0,0,0,1|1,0,1]=4 660 B16R2.477 O=C(O)CCC1=NC2=C(C=CC=C2)C=C1 MCULE-7965912465 [1,0,0,0,0,1|2,0,0]=4 661 B16R2.477 O=C(O)CCC1=NC2=CC=CC=C2N=C1 MCULE-2777540649 [1,0,0,0,0,1|1,0,1]=4 662 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CC=C1 MCULE-8933922318 [1,0,0,0,0,1|2,0,0]=4 663 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 MCULE-6509347005 [1,0,0,0,0,1|1,0,1]=4 664 B16R2.179941 NC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1931911212 [1,0,0,0,0,1|1,0,0]=3 665 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=NC=N1 MCULE-6210658307 [1,0,0,0,0,1|1,0,1]=4 666 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 MCULE-6531841643 [1,0,0,0,0,1|2,0,0]=4 667 B16R2.179941 NC(=O)CSC1=NC=CC2=CC=CC=C12 MCULE-6768111493 [1,0,0,0,0,1|2,0,0]=4 668 B16R2.179941 NC(=O)CSC1=NC=NC2=CC=CC=C12 MCULE-3133821098 [1,0,0,0,0,1|1,0,1]=4 669 B16R2.179941 O=C(Cl)CCC1=CC=CC2=CC=CC=C12 MCULE-3633070188 [1,0,0,0,0,1|2,0,0]=4 670 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 MCULE-6755596415 [1,0,0,0,0,1|2,0,0]=4 671 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 MCULE-4075360632 [1,0,0,0,0,1|1,0,1]=4 672 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 MCULE-1182257474 [1,0,0,0,0,1|1,0,1]=4 673 B16R2.179941 O=C(O)CCC1=CCCC2=C1C=CC=C2 MCULE-3365793903 [1,0,0,0,0,1|2,0,0]=4 674 B16R2.179941 O=C(O)CCC1=NC=NC2=CC=CC=C12 MCULE-8762925874 [1,0,0,0,0,1|1,0,1]=4 675 B18R2.12980 NC(CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2057116396 [0,0,0,0,0,2|2,0,0]=4 676 B18R2.12980 N[C@@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-8154439015 [0,0,0,0,0,2|2,0,0]=4 677 B18R2.12980 N[C@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-2542758154 [0,0,0,0,0,2|2,0,0]=4 678 B18R2.12980 N[C@H](CCC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-4336994641 [0,0,0,0,0,2|2,0,0]=4 679 B18R2.71948 NC(CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-6797786349 [0,0,0,0,0,2|2,0,0]=4 680 B18R2.71948 NC(CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-3843004185 [0,0,0,0,0,2|2,0,0]=4 681 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-2687919760 [0,0,0,0,0,2|2,0,0]=4 682 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-3714648018 [0,0,0,0,0,2|2,0,0]=4 683 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-4785055121 [0,0,0,0,0,2|2,0,0]=4 684 B18R2.71948 N[C@@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-7647901070 [0,0,0,0,0,2|2,0,0]=4 685 B18R2.71948 N[C@H](CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-2765510430 [0,0,0,0,0,2|2,0,0]=4 686 B18R2.71948 N[C@H](CC(=O)O)CC1=CC2=CC=CC=C2C=C1 MCULE-5563402622 [0,0,0,0,0,2|2,0,0]=4 687 B18R2.71948 N[C@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-5880152630 [0,0,0,0,0,2|2,0,0]=4 688 B18R2.71948 N[C@H](CC(=O)O)CC1=CC=C2C=CC=CC2=C1 MCULE-9682369853 [0,0,0,0,0,2|2,0,0]=4 689 B18R2.2880857 NC(CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3013238045 [0,0,0,0,0,2|2,0,0]=4 690 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=C1C=CC=C2 MCULE-9404785835 [0,0,0,0,0,2|2,0,0]=4 691 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-2019424542 [0,0,0,0,0,2|2,0,0]=4 692 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-5606757508 [0,0,0,0,0,2|2,0,0]=4 693 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3797651987 [0,0,0,0,0,2|2,0,0]=4 694 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-6033740850 [0,0,0,0,0,2|2,0,0]=4 695 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9124069558 [0,0,0,0,0,2|2,0,0]=4 696 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9676520382 [0,0,0,0,0,2|2,0,0]=4 697 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-4660850865 [0,0,0,0,0,2|2,0,0]=4 698 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-7551483483 [0,0,0,0,0,2|2,0,0]=4 699 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8192986605 [0,0,0,0,0,2|2,0,0]=4 700 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8398868747 [0,0,0,0,0,2|2,0,0]=4