0 B15R1.4038 COC1=C(C=CC(=C1)/C=C(/C)\N(=O)=O)O MCULE-2212959535 [0,0,0,0,0,0|1,0,3]=4 1 B15R1.4038 COC1=C(C=CC(=C1)C=C(C)[N+](=O)[O-])O MCULE-1328172000 [0,0,0,0,0,0|1,0,3]=4 2 B15R1.4038 COC1=C(C=CC(=C1)CC(=O)C(=O)O)O MCULE-8932848796 [0,0,0,0,0,0|1,0,1]=2 3 B15R1.4038 COC1=C(C=CC(=C1)CC(C)C(=O)O)C MCULE-5418902763 [0,0,0,0,0,0|1,0,0]=1 4 B15R1.4038 COC1=C(C=CC(=C1)CC(C)C(=O)O)F MCULE-6975370484 [0,0,0,0,0,0|1,0,0]=1 5 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)F MCULE-1640625534 [0,0,0,0,0,0|2,0,0]=2 6 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-4733493787 [0,0,0,0,0,0|1,0,0]=1 7 B15R1.4038 COC1=C(C=CC(=C1)CC(O)C(=O)[O-])O MCULE-4273162721 [0,0,0,0,0,0|1,0,1]=2 8 B15R1.4038 COC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-1430768082 [0,0,0,0,0,0|1,0,0]=1 9 B15R1.4038 COC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-6491381871 [0,0,0,0,0,0|1,0,0]=1 10 B15R1.4038 COC1=CC(=CC=C1C)CC(N)C(=O)O MCULE-7293249052 [0,0,0,0,0,0|2,0,0]=2 11 B15R1.4038 COC1=CC(=CC=C1O)CC(N)C(=O)O MCULE-5255380629 [0,0,0,0,0,0|1,0,0]=1 12 B15R1.4038 COC1=CC(=CC=C1O)CC(O)C(=O)O MCULE-4905795738 [0,0,0,0,0,0|1,0,0]=1 13 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-4154194049 [0,0,0,0,0,0|1,0,0]=1 14 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](O)C(=O)O MCULE-2286648207 [0,0,0,0,0,0|1,0,0]=1 15 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](O)C(=O)O MCULE-3682555469 [0,0,0,0,0,0|1,0,0]=1 16 B15R1.4038 N#CC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-4983890225 [0,0,0,0,0,0|3,0,0]=3 17 B14R1.42 CCC1=C(C=CC(=C1)OCC(=O)O)Cl MCULE-4755477488 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)C)O MCULE-4356575066 [1,0,0,0,0,0|1,0,2]=4 19 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)F MCULE-5643863850 [1,0,0,0,0,0|1,0,2]=4 20 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)[O-])O MCULE-5476569550 [1,0,0,0,0,0|0,0,3]=4 21 B14R1.42 COC1=C(C=CC(=C1)/C=C\C(=O)O)O MCULE-9882677316 [1,0,0,0,0,0|0,0,2]=3 22 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)F MCULE-8219378484 [1,0,0,0,0,0|1,0,2]=4 23 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O MCULE-3189604755 [1,0,0,0,0,0|1,0,0]=2 24 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)C MCULE-9028033518 [1,0,0,0,0,0|1,0,0]=2 25 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl MCULE-1402123706 [1,0,0,0,0,0|1,0,0]=2 26 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)F MCULE-4035483921 [1,0,0,0,0,0|1,0,0]=2 27 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O MCULE-6192664785 [1,0,0,0,0,0|0,0,0]=1 28 B14R1.42 COC1=C(C=CC(=C1)OCC(=O)O)Cl MCULE-2450701203 [1,0,0,0,0,0|2,0,0]=3 29 B14R1.42 COC1=CC(=CC=C1Br)/C=C/C(=O)O MCULE-8193123381 [1,0,0,0,0,0|1,0,2]=4 30 B14R1.42 COC1=CC(=CC=C1Br)C=CC(=O)O MCULE-1528038359 [1,0,0,0,0,0|1,0,2]=4 31 B14R1.42 COC1=CC(=CC=C1O)/C=C/C(=O)N MCULE-2542099073 [1,0,0,0,0,0|1,0,2]=4 32 B14R1.42 COC1=CC(=CC=C1O)/C=C/C(=O)O MCULE-8442047802 [1,0,0,0,0,0|0,0,2]=3 33 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)C MCULE-3501590803 [1,0,0,0,0,0|1,0,2]=4 34 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)N MCULE-2564987856 [1,0,0,0,0,0|1,0,2]=4 35 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)O MCULE-6127598109 [1,0,0,0,0,0|0,0,2]=3 36 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)[O-] MCULE-9094428143 [1,0,0,0,0,0|0,0,3]=4 37 B14R1.42 COC1=CC(=CC=C1O)CCC(C)N MCULE-2226728383 [1,0,0,0,0,0|2,0,1]=4 38 B14R1.42 COC1=CC(=CC=C1O)CCC(C)N MCULE-2378106537 [1,0,0,0,0,0|2,0,1]=4 39 B14R1.42 COC1=CC(=CC=C1O)CCC(C)O MCULE-5336896321 [1,0,0,0,0,0|1,0,1]=3 40 B14R1.42 COC1=CC(=CC=C1O)CCN(=O)=O MCULE-2968164493 [1,0,0,0,0,0|1,0,1]=3 41 B14R1.42 N#CC1=C(C=CC(=C1)CCC(=O)O)F MCULE-5610571509 [1,0,0,0,0,0|3,0,0]=4 42 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O MCULE-1261376235 [1,0,0,0,0,0|2,0,0]=3 43 B14R1.75 C=CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-1182092696 [1,0,0,0,0,0|2,0,1]=4 44 B14R1.75 C=CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-5435430119 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-1364530989 [1,0,0,0,0,0|2,0,1]=4 46 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-2509335446 [1,0,0,0,0,0|2,0,1]=4 47 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-2513063999 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-2661213804 [1,0,0,0,0,0|2,0,1]=4 49 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-1685489170 [1,0,0,0,0,0|2,0,1]=4 50 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2191696012 [1,0,0,0,0,0|2,0,1]=4 51 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5803851476 [1,0,0,0,0,0|2,0,1]=4 52 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-9690508450 [1,0,0,0,0,0|2,0,1]=4 53 B14R1.75 CC(CC1=CC(=CC=C1)C#N)C(=O)O MCULE-5055291474 [1,0,0,0,0,0|2,0,0]=3 54 B14R1.75 CC(OC1=CC(=CC=C1)C#N)C(=O)O MCULE-9842540254 [1,0,0,0,0,0|3,0,0]=4 55 B14R1.75 CC(OC1=CC(=CC=C1)C=O)C(=O)O MCULE-7089356652 [1,0,0,0,0,0|3,0,0]=4 56 B14R1.75 CC(OC1=CC(=CC=C1)CO)C(=O)O MCULE-7631845069 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.75 CCC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-6495224495 [1,0,0,0,0,0|2,0,0]=3 58 B14R1.75 COC1=CC(=CC=C1)C=C(C)C(=O)O MCULE-4680058595 [1,0,0,0,0,0|0,0,2]=3 59 B14R1.75 COC1=CC(=CC=C1)CC(=O)C(=O)O MCULE-6232339609 [1,0,0,0,0,0|1,0,1]=3 60 B14R1.75 COC1=CC(=CC=C1)CC(C)C(=O)O MCULE-3100506401 [1,0,0,0,0,0|0,0,0]=1 61 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O MCULE-3731587721 [1,0,0,0,0,0|1,0,0]=2 62 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O MCULE-3797381171 [1,0,0,0,0,0|1,0,0]=2 63 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O MCULE-7986584679 [1,0,0,0,0,0|1,0,0]=2 64 B14R1.75 COC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-6569907927 [1,0,0,0,0,0|1,0,0]=2 65 B14R1.75 COC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-6699006363 [1,0,0,0,0,0|1,0,0]=2 66 B14R1.75 COC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-3040569666 [1,0,0,0,0,0|1,0,0]=2 67 B14R1.75 COC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8175897978 [1,0,0,0,0,0|1,0,0]=2 68 B14R1.75 COC1=CC(=CC=C1)NC(=O)C(=O)O MCULE-5271884023 [1,0,0,0,0,0|2,0,1]=4 69 B14R1.75 COC1=CC(=CC=C1)OC(C)C(=O)N MCULE-9682832066 [1,0,0,0,0,0|2,0,0]=3 70 B14R1.75 COC1=CC(=CN=C1)CC(C)C(=O)O MCULE-9761723183 [1,0,0,0,0,0|1,0,0]=2 71 B14R1.75 COC1=CC=CC(=C1)CC(=O)C(=O)C MCULE-6903704192 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.75 COC1=CC=CC(=C1)CN(C)C(=N)N MCULE-2733827220 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.75 COC1=CC=CC(=C1)CN(C)C(=N)N MCULE-7403278699 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.75 COC1=CC=CC(=C1)C[C@H](N)C(=O)O MCULE-9516373119 [1,0,0,0,0,0|1,0,0]=2 75 B14R1.75 COC1=CC=CC(=C1)NC(C)C(=O)O MCULE-5293106632 [1,0,0,0,0,0|1,0,0]=2 76 B14R1.75 COC1=CC=CC(=C1)OC(C)C(=O)C MCULE-8881842991 [1,0,0,0,0,0|2,0,0]=3 77 B14R1.75 COC1=CC=CC(=C1)OC(C)C(=O)O MCULE-3454269863 [1,0,0,0,0,0|1,0,0]=2 78 B14R1.75 N#CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-1444201177 [1,0,0,0,0,0|3,0,0]=4 79 B14R1.75 N#CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-7016087878 [1,0,0,0,0,0|3,0,0]=4 80 B14R1.75 N#CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-9355098995 [1,0,0,0,0,0|3,0,0]=4 81 B14R1.75 N#CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-4536625896 [1,0,0,0,0,0|3,0,0]=4 82 B14R1.75 N#CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-6488908363 [1,0,0,0,0,0|3,0,0]=4 83 B14R1.75 N#CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-7373000253 [1,0,0,0,0,0|3,0,0]=4 84 B14R1.75 N#CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8767912111 [1,0,0,0,0,0|3,0,0]=4 85 B14R1.75 N#CC1=CC=CC(=C1)C[C@@H](N)C(=O)O MCULE-9222518837 [1,0,0,0,0,0|3,0,0]=4 86 B14R1.75 NCC1=CC(=CC=C1)CC(N)C(=O)O MCULE-7324682378 [1,0,0,0,0,0|3,0,0]=4 87 B14R1.75 NCC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-7251583706 [1,0,0,0,0,0|3,0,0]=4 88 B14R1.75 NCC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-9051060471 [1,0,0,0,0,0|3,0,0]=4 89 B14R1.75 NCC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2600156569 [1,0,0,0,0,0|3,0,0]=4 90 B14R1.75 NCC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-6774442569 [1,0,0,0,0,0|3,0,0]=4 91 B14R1.686 C(N)(CC1=CC(=C(C=C1)O)I)C(=O)O MCULE-7084802066 [1,0,0,0,0,0|2,0,0]=3 92 B14R1.686 C(N)(CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-6953076060 [1,0,0,0,0,0|2,0,1]=4 93 B14R1.686 CC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-6725921355 [1,0,0,0,0,0|2,0,0]=3 94 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O MCULE-3047358340 [1,0,0,0,0,0|2,0,0]=3 95 B14R1.686 CC(CC1=CC(=C(C=C1)O)F)C(=O)O MCULE-6959946695 [1,0,0,0,0,0|1,0,0]=2 96 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-2053486794 [1,0,0,0,0,0|0,0,0]=1 97 B14R1.686 CC(CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-4053843521 [1,0,0,0,0,0|2,0,0]=3 98 B14R1.686 CC(NC1=CC=C(C(=C1)Cl)F)C(=O)O MCULE-6370853810 [1,0,0,0,0,0|3,0,0]=4 99 B14R1.686 CC(OC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-9424919348 [1,0,0,0,0,0|3,0,0]=4 100 B14R1.686 CC(OC1=CC(=C(C=C1)F)F)C(=O)O MCULE-1162870251 [1,0,0,0,0,0|3,0,0]=4 101 B14R1.686 CC(OC1=CC=C(C(=C1)Br)F)C(=O)O MCULE-8976416203 [1,0,0,0,0,0|3,0,0]=4 102 B14R1.686 CC(OC1=CC=C(C(=C1)Cl)Br)C(=O)O MCULE-6488359021 [1,0,0,0,0,0|3,0,0]=4 103 B14R1.686 CC(OC1=CC=C(C(=C1)Cl)F)C(=O)O MCULE-9282889995 [1,0,0,0,0,0|3,0,0]=4 104 B14R1.686 CC(OC1=CC=C(C(=C1)F)Cl)C(=O)O MCULE-1582720211 [1,0,0,0,0,0|3,0,0]=4 105 B14R1.686 CC1=C(C=C(C=C1)CC(C)C(=O)O)C MCULE-8631606062 [1,0,0,0,0,0|1,0,0]=2 106 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C MCULE-1439517832 [1,0,0,0,0,0|2,0,0]=3 107 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C MCULE-1710593369 [1,0,0,0,0,0|2,0,0]=3 108 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C MCULE-4221203832 [1,0,0,0,0,0|2,0,0]=3 109 B14R1.686 CC1=C(C=C(C=C1)NC(C)C(=O)O)C MCULE-1761004393 [1,0,0,0,0,0|2,0,0]=3 110 B14R1.686 CC1=C(C=C(C=C1)OC(C)C(=O)Cl)C MCULE-9041159803 [1,0,0,0,0,0|3,0,0]=4 111 B14R1.686 CC1=C(C=CC(=C1)CC(C)C(=O)O)F MCULE-4616134999 [1,0,0,0,0,0|1,0,0]=2 112 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)N)Cl MCULE-1969627474 [1,0,0,0,0,0|3,0,0]=4 113 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Br MCULE-7933645709 [1,0,0,0,0,0|2,0,0]=3 114 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl MCULE-3899360586 [1,0,0,0,0,0|2,0,0]=3 115 B14R1.686 CC1=CC(=CC=C1Cl)OC(C)C(=O)Cl MCULE-8527616270 [1,0,0,0,0,0|3,0,0]=4 116 B14R1.686 CC1=CC(=CC=C1F)CC(N)C(=O)O MCULE-9969422282 [1,0,0,0,0,0|2,0,0]=3 117 B14R1.686 CC1=CC(=CC=C1O)CC(C)C(=O)O MCULE-4345156007 [1,0,0,0,0,0|0,0,0]=1 118 B14R1.686 CC1=CC(=CC=C1O)CC(N)C(=O)O MCULE-7114179615 [1,0,0,0,0,0|1,0,0]=2 119 B14R1.686 CC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-1725367272 [1,0,0,0,0,0|1,0,0]=2 120 B14R1.686 CC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-8823796667 [1,0,0,0,0,0|1,0,0]=2 121 B14R1.686 CC1=CC=C(C=C1Br)OC(C)C(=O)O MCULE-6068428927 [1,0,0,0,0,0|3,0,0]=4 122 B14R1.686 CC1=CC=C(C=C1Br)O[C@H](C)C(=O)O MCULE-2610910604 [1,0,0,0,0,0|3,0,0]=4 123 B14R1.686 CC1=CC=C(C=C1C)C[C@H](N)C(=O)O MCULE-4068626034 [1,0,0,0,0,0|2,0,0]=3 124 B14R1.686 CC1=CC=C(C=C1C)OC(C)C(=O)N MCULE-3264249636 [1,0,0,0,0,0|3,0,0]=4 125 B14R1.686 CC1=CC=C(C=C1C)OC(C)C(=O)O MCULE-1590548133 [1,0,0,0,0,0|2,0,0]=3 126 B14R1.686 CC1=CC=C(C=C1Cl)OC(C)C(=O)O MCULE-9673073562 [1,0,0,0,0,0|3,0,0]=4 127 B14R1.686 CC1=CC=C(C=C1F)CC(C)C(=O)O MCULE-3294121728 [1,0,0,0,0,0|2,0,0]=3 128 B14R1.686 CC1=CC=C(C=C1F)CC(N)C(=O)O MCULE-7233171438 [1,0,0,0,0,0|3,0,0]=4 129 B14R1.686 CC1=CC=C(C=C1N)CC(C)C(=O)O MCULE-8573761389 [1,0,0,0,0,0|2,0,0]=3 130 B14R1.686 NC(=O)C(N)CC1=CC=C(C(=C1)O)O MCULE-2648430513 [1,0,0,0,0,0|2,0,0]=3 131 B14R1.686 NC(=O)C(N)CC1=CC=C(C(=C1)O)O MCULE-4964600533 [1,0,0,0,0,0|2,0,0]=3 132 B14R1.686 NC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)O MCULE-2150001812 [1,0,0,0,0,0|2,0,0]=3 133 B14R1.686 NC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-1018551198 [1,0,0,0,0,0|2,0,0]=3 134 B14R1.686 NC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-5047112016 [1,0,0,0,0,0|2,0,0]=3 135 B14R1.686 NC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-5589713302 [1,0,0,0,0,0|2,0,0]=3 136 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-8087658877 [1,0,0,0,0,0|3,0,0]=4 137 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O MCULE-7264527288 [1,0,0,0,0,0|3,0,0]=4 138 B14R1.686 NC(CC1=CC(=C(C=C1)F)F)C(=O)O MCULE-6760740668 [1,0,0,0,0,0|3,0,0]=4 139 B14R1.686 NC(CC1=CC(=C(C=C1)F)F)C(=O)O MCULE-6967691364 [1,0,0,0,0,0|3,0,0]=4 140 B14R1.686 NC(CC1=CC(=C(C=C1)O)Br)C(=O)O MCULE-3374977523 [1,0,0,0,0,0|2,0,0]=3 141 B14R1.686 NC(CC1=CC(=C(C=C1)O)Br)C(=O)O MCULE-6181724347 [1,0,0,0,0,0|2,0,0]=3 142 B14R1.686 NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-2697786754 [1,0,0,0,0,0|2,0,0]=3 143 B14R1.686 NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-5698335509 [1,0,0,0,0,0|2,0,0]=3 144 B14R1.686 NC(CC1=CC=C(C(=C1)F)Cl)C(=O)O MCULE-5096730112 [1,0,0,0,0,0|3,0,0]=4 145 B14R1.686 NC(CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-6834620182 [1,0,0,0,0,0|2,0,0]=3 146 B14R1.686 NC(CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-9537492620 [1,0,0,0,0,0|2,0,0]=3 147 B14R1.686 NC(CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-1976200660 [1,0,0,0,0,0|2,0,0]=3 148 B14R1.686 NC(CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-7333560025 [1,0,0,0,0,0|2,0,0]=3 149 B14R1.686 NC(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-6834245595 [1,0,0,0,0,0|1,0,0]=2 150 B14R1.686 NC(CC1=CC=C(C(=C1)O)O)C(=O)[O-] MCULE-9471283867 [1,0,0,0,0,0|1,0,1]=3 151 B14R1.686 NC1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-2557670465 [1,0,0,0,0,0|2,0,0]=3 152 B14R1.686 NC1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-5549889238 [1,0,0,0,0,0|2,0,0]=3 153 B14R1.686 NC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-3775294936 [1,0,0,0,0,0|2,0,0]=3 154 B14R1.686 NC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-6839040671 [1,0,0,0,0,0|2,0,0]=3 155 B14R1.686 NC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-9607907699 [1,0,0,0,0,0|2,0,0]=3 156 B14R1.686 NC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-9600560994 [1,0,0,0,0,0|2,0,0]=3 157 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-1204635145 [1,0,0,0,0,0|3,0,0]=4 158 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)O MCULE-9674100333 [1,0,0,0,0,0|3,0,0]=4 159 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-1164805788 [1,0,0,0,0,0|2,0,0]=3 160 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-6365431286 [1,0,0,0,0,0|2,0,0]=3 161 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)F)C(=O)O MCULE-2345671151 [1,0,0,0,0,0|2,0,0]=3 162 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O MCULE-4703706022 [1,0,0,0,0,0|2,0,0]=3 163 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-7571765742 [1,0,0,0,0,0|1,0,0]=2 164 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Br)F)C(=O)O MCULE-3066216517 [1,0,0,0,0,0|3,0,0]=4 165 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Cl)Cl)C(=O)O MCULE-8168956702 [1,0,0,0,0,0|3,0,0]=4 166 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-9200119733 [1,0,0,0,0,0|3,0,0]=4 167 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-1794626616 [1,0,0,0,0,0|2,0,0]=3 168 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-7896954993 [1,0,0,0,0,0|2,0,0]=3 169 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-8926188460 [1,0,0,0,0,0|2,0,0]=3 170 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)I)O)C(=O)O MCULE-7914019816 [1,0,0,0,0,0|2,0,0]=3 171 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-2715592533 [1,0,0,0,0,0|2,0,0]=3 172 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-3218547043 [1,0,0,0,0,0|2,0,0]=3 173 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-3340290734 [1,0,0,0,0,0|2,0,0]=3 174 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-6453108778 [1,0,0,0,0,0|2,0,0]=3 175 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-4743781842 [1,0,0,0,0,0|1,0,0]=2 176 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-8112075430 [1,0,0,0,0,0|1,0,0]=2 177 B14R1.686 N[C@@H](CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-2538604003 [1,0,0,0,0,0|2,0,1]=4 178 B14R1.686 N[C@@H](CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-5494372638 [1,0,0,0,0,0|2,0,1]=4 179 B14R1.686 N[C@H](CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-6868231956 [1,0,0,0,0,0|3,0,0]=4 180 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-1399466309 [1,0,0,0,0,0|2,0,0]=3 181 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-1686922215 [1,0,0,0,0,0|2,0,0]=3 182 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)F)C(=O)O MCULE-2789104977 [1,0,0,0,0,0|2,0,0]=3 183 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-3946263529 [1,0,0,0,0,0|1,0,0]=2 184 B14R1.686 N[C@H](CC1=CC=C(C(=C1)Br)O)C(=O)O MCULE-3413267848 [1,0,0,0,0,0|2,0,0]=3 185 B14R1.686 N[C@H](CC1=CC=C(C(=C1)Br)O)C(=O)O MCULE-9740236562 [1,0,0,0,0,0|2,0,0]=3 186 B14R1.686 N[C@H](CC1=CC=C(C(=C1)Cl)Cl)C(=O)O MCULE-1947805662 [1,0,0,0,0,0|3,0,0]=4 187 B14R1.686 N[C@H](CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-4871068130 [1,0,0,0,0,0|3,0,0]=4 188 B14R1.686 N[C@H](CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-8950844474 [1,0,0,0,0,0|3,0,0]=4 189 B14R1.686 N[C@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-8414400766 [1,0,0,0,0,0|2,0,0]=3 190 B14R1.686 N[C@H](CC1=CC=C(C(=C1)I)O)C(=O)O MCULE-3992386719 [1,0,0,0,0,0|2,0,0]=3 191 B14R1.686 N[C@H](CC1=CC=C(C(=C1)I)O)C(=O)O MCULE-7020255208 [1,0,0,0,0,0|2,0,0]=3 192 B14R1.686 N[C@H](CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-2909167188 [1,0,0,0,0,0|1,0,0]=2 193 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)O)O MCULE-6532951024 [1,0,0,0,0,0|1,0,1]=3 194 B14R1.686 O=C(O)C(Br)CC1=CC=C(C(=C1)Cl)Cl MCULE-8870603954 [1,0,0,0,0,0|3,0,0]=4 195 B14R1.686 O=C(O)C(O)CC1=CC(=C(C=C1)O)O MCULE-1331401569 [1,0,0,0,0,0|1,0,0]=2 196 B14R1.686 O=C(O)[C@H](O)CC1=CC(=C(C=C1)O)O MCULE-4395140487 [1,0,0,0,0,0|1,0,0]=2 197 B14R1.686 O=C(O)[C@H](O)CC1=CC(=C(C=C1)O)O MCULE-9485459217 [1,0,0,0,0,0|1,0,0]=2 198 B14R1.686 O=C([O-])C(O)CC1=CC(=C(C=C1)O)O MCULE-9830082207 [1,0,0,0,0,0|1,0,1]=3 199 B14R1.686 O=C([O-])[C@H](O)CC1=CC(=C(C=C1)O)O MCULE-1155965360 [1,0,0,0,0,0|1,0,1]=3 200 B14R1.686 O=C([O-])[C@H](O)CC1=CC(=C(C=C1)O)O MCULE-9062505748 [1,0,0,0,0,0|1,0,1]=3 201 B14R1.686 [C@@H](N)(CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-2886907026 [1,0,0,0,0,0|2,0,1]=4 202 B14R1.686 [C@H](N)(CC1=CC(=C(C=C1)O)Br)C(=O)O MCULE-3725297150 [1,0,0,0,0,0|2,0,0]=3 203 B14R1.686 [C@H](N)(CC1=CC(=C(C=C1)O)N)C(=O)O MCULE-4265042292 [1,0,0,0,0,0|2,0,0]=3 204 B14R1.686 [C@H](N)(CC1=CC=C(C(=C1)Br)O)C(=O)O MCULE-8641777132 [1,0,0,0,0,0|2,0,0]=3 205 B14R1.3405 COC1=C(C=CC(=C1)CC(=O)CO)O MCULE-7311560675 [1,0,0,0,0,0|1,0,2]=4 206 B14R1.3405 COC1=C(C=CC(=C1)CC(O)CO)O MCULE-6720173109 [1,0,0,0,0,0|1,0,1]=3 207 B14R1.3405 COC1=CC(=CC=C1C)CC(C)CO MCULE-7289434258 [1,0,0,0,0,0|1,0,1]=3 208 B16R1.1058 CC(=O)C1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-2718002149 [0,1,0,0,0,0|2,0,0]=3 209 B16R1.1058 CC(=O)C1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-8992324295 [0,1,0,0,0,0|2,0,0]=3 210 B16R1.1058 CC(=O)C1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-4836044695 [0,1,0,0,0,0|2,0,0]=3 211 B16R1.1058 CC(=O)C1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-8781603070 [0,1,0,0,0,0|2,0,0]=3 212 B16R1.1058 NC(CC1=CC=C(C(=C1)N(=O)=O)O)C(=O)O MCULE-2134857873 [0,1,0,0,0,0|3,0,0]=4 213 B16R1.1058 NC(CC1=CC=C(C(=C1)N(=O)=O)O)C(=O)O MCULE-6414371694 [0,1,0,0,0,0|3,0,0]=4 214 B16R1.1058 N[C@@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O MCULE-2036988158 [0,1,0,0,0,0|3,0,0]=4 215 B16R1.1058 N[C@@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O MCULE-7873044864 [0,1,0,0,0,0|3,0,0]=4 216 B16R1.1058 N[C@H](CC1=CC=C(C(=C1)[N+](=O)[O-])O)C(=O)O MCULE-5977602816 [0,1,0,0,0,0|3,0,0]=4 217 B16R1.1058 [C@@H](N)(CC1=CC=C(C(=C1)[N+](=O)[O-])O)C(=O)O MCULE-1500027319 [0,1,0,0,0,0|3,0,0]=4 218 B16R1.4274 COC1=C(C=C(C=C1)C=C(C)C(=O)O)OC MCULE-3283632849 [0,1,0,0,0,0|0,0,2]=3 219 B16R1.4274 COC1=C(C=C(C=C1)CC(C)C(=O)O)OC MCULE-1295564528 [0,1,0,0,0,0|0,0,0]=1 220 B16R1.4274 COC1=C(C=C(C=C1)NC(=O)C(=O)O)OC MCULE-3412823581 [0,1,0,0,0,0|2,0,1]=4 221 B16R1.4274 COC1=CC=C(C=C1OC)C=C(S)C(=O)O MCULE-8699918665 [0,1,0,0,0,0|1,0,2]=4 222 B16R1.4274 COC1=CC=C(C=C1OC)CC(C)N(C)C MCULE-1957920483 [0,1,0,0,0,0|3,0,0]=4 223 B16R1.4274 COC1=CC=C(C=C1OC)CC(C)N(C)C MCULE-7370227903 [0,1,0,0,0,0|3,0,0]=4 224 B16R1.4274 COC1=CC=C(C=C1OC)CC(N)C(=O)O MCULE-4087948569 [0,1,0,0,0,0|1,0,0]=2 225 B16R1.4274 COC1=CC=C(C=C1OC)C[C@H](N)C(=O)O MCULE-1907934626 [0,1,0,0,0,0|1,0,0]=2 226 B16R1.4274 COC1=CC=C(C=C1OC)C[C@H](N)C(=O)O MCULE-9714103028 [0,1,0,0,0,0|1,0,0]=2 227 B16R1.4730 CCC1=CC(=CC=C1N)C[C@@H](N)C(=O)OC MCULE-5457989683 [0,1,0,0,0,0|3,0,0]=4 228 B16R1.4730 CCC1=CC(=CC=C1N)C[C@H](N)C(=O)OC MCULE-1194663547 [0,1,0,0,0,0|3,0,0]=4 229 B16R1.4730 COC(=O)C(N)CC1=CC=C(C(=C1)OC)C MCULE-5882326596 [0,1,0,0,0,0|2,0,0]=3 230 B16R1.4730 COC(=O)C(N)CC1=CC=C(C(=C1)OC)F MCULE-4768994837 [0,1,0,0,0,0|2,0,0]=3 231 B16R1.4730 COC(=O)C(N)CC1=CC=C(C(=C1)OC)F MCULE-8781748227 [0,1,0,0,0,0|2,0,0]=3 232 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)Cl)OC MCULE-1979961400 [0,1,0,0,0,0|2,0,0]=3 233 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)F)OC MCULE-4598107823 [0,1,0,0,0,0|2,0,0]=3 234 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)N)OC MCULE-3204527254 [0,1,0,0,0,0|2,0,0]=3 235 B16R1.4730 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)C#N)O MCULE-7131430868 [0,1,0,0,0,0|3,0,0]=4 236 B16R1.4730 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)CO)O MCULE-8737206699 [0,1,0,0,0,0|3,0,0]=4 237 B16R1.4730 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)OC)O MCULE-6332969684 [0,1,0,0,0,0|1,0,0]=2 238 B16R1.4730 COC(=O)[C@H](N)CC1=CC(=C(C=C1)Cl)OC MCULE-2622814824 [0,1,0,0,0,0|2,0,0]=3 239 B16R1.4730 COC(=O)[C@H](N)CC1=CC(=C(C=C1)F)OC MCULE-9482143182 [0,1,0,0,0,0|2,0,0]=3 240 B16R1.4730 COC(=O)[C@H](N)CC1=CC(=C(C=C1)N)OC MCULE-1848881967 [0,1,0,0,0,0|2,0,0]=3 241 B16R1.4730 COC(=O)[C@H](N)CC1=CC=C(C(=C1)C#N)O MCULE-4053928691 [0,1,0,0,0,0|3,0,0]=4 242 B16R1.4730 COC(=O)[C@H](N)CC1=CC=C(C(=C1)CO)O MCULE-9573628486 [0,1,0,0,0,0|3,0,0]=4 243 B16R1.4730 COC(=O)[C@H](N)CC1=CC=C(C(=C1)OC)O MCULE-7785850737 [0,1,0,0,0,0|1,0,0]=2 244 B16R1.4763 CCC(CC1=CC=C(C(=C1)OC)C)C(=O)O MCULE-7785181506 [0,1,0,0,0,0|1,0,0]=2 245 B16R1.4763 CCC(CC1=CC=C(C(=C1)OC)O)C(=O)O MCULE-3479984980 [0,1,0,0,0,0|0,0,0]=1 246 B16R1.4763 CNC(CC1=CC=C(C(=C1)OC)O)C(=O)O MCULE-9645918194 [0,1,0,0,0,0|0,0,0]=1 247 B16R1.4763 COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)O MCULE-9018774008 [0,1,0,0,0,0|0,0,3]=4 248 B16R1.4763 COC1=C(C=CC(=C1)CC(C#N)C(=O)N)O MCULE-1051483949 [0,1,0,0,0,0|1,0,1]=3 249 B16R1.4763 COC1=CC(=CC=C1O)CC(C#N)C(=O)O MCULE-5468852831 [0,1,0,0,0,0|0,0,1]=2 250 B16R1.6436 COC1=C(C(=CC=C1Cl)CC(N)C(=O)O)F MCULE-6930420481 [0,1,0,0,0,0|2,0,0]=3 251 B16R1.6436 COC1=C(C(=CC=C1F)CC(N)C(=O)O)F MCULE-1281812393 [0,1,0,0,0,0|2,0,0]=3 252 B16R1.12749 [N-]=[N+]=NC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-5416143917 [0,1,0,0,0,0|3,0,0]=4 253 B16R1.27683 COC1=C(C=CC(=C1)CC(C)(C)N(=O)=O)O MCULE-6600135367 [0,1,0,0,0,0|1,0,1]=3 254 B16R2.1933 COC1=C(C=C2C=C(NC2=C1)C(=O)O)O MCULE-2434888863 [0,0,0,1,0,0|1,0,2]=4 255 B16R2.1933 COC1=C(C=C2NC(=CC2=C1)C(=O)O)O MCULE-9627543341 [0,0,0,1,0,0|1,0,2]=4 256 B16R2.6257 CC(=CC1=CC2=C(C=C1)OCO2)C(=O)O MCULE-7444824438 [0,0,0,1,0,0|0,0,2]=3 257 B16R2.6257 CC(=O)C(C)OC1=CC=C2OCOC2=C1 MCULE-6127389829 [0,0,0,1,0,0|2,0,0]=3 258 B16R2.6257 CC(=O)N(C)CC1=CC2=C(C=C1)OCO2 MCULE-6926213036 [0,0,0,1,0,0|2,0,0]=3 259 B16R2.6257 CC(CC1=CC2=C(C=C1)OCO2)C(=O)O MCULE-6503491573 [0,0,0,1,0,0|0,0,0]=1 260 B16R2.6257 CC(CC1=CC=C2OCCC2=C1)C(=O)O MCULE-3138739672 [0,0,0,1,0,0|1,0,0]=2 261 B16R2.6257 CC(CC1=CC=C2OCOC2=C1)C(=O)N MCULE-5819186223 [0,0,0,1,0,0|1,0,0]=2 262 B16R2.6257 CC(CC1=CC=C2OCOC2=C1)N(C)C MCULE-2663190170 [0,0,0,1,0,0|3,0,0]=4 263 B16R2.6257 CC(CC1=CC=C2OCOC2=C1)N(C)C MCULE-4721083753 [0,0,0,1,0,0|3,0,0]=4 264 B16R2.6257 CC(OC1=CC2=C(C=C1)CCC2)C(=O)O MCULE-1205584072 [0,0,0,1,0,0|3,0,0]=4 265 B16R2.6257 CC(OC1=CC=C2OCOC2=C1)C(=O)O MCULE-6336681244 [0,0,0,1,0,0|1,0,0]=2 266 B16R2.6257 NC(CC1=CC2=C(C=C1)OCO2)C(=O)O MCULE-9122812734 [0,0,0,1,0,0|1,0,0]=2 267 B16R2.6257 N[C@@H](CC1=CC2=C(C=C1)CCC2)C(=O)O MCULE-9027651046 [0,0,0,1,0,0|3,0,0]=4 268 B16R2.6257 N[C@@H](CC1=CC=C2OCCC2=C1)C(=O)O MCULE-3104202432 [0,0,0,1,0,0|2,0,0]=3 269 B16R2.6257 N[C@@H](CC1=CC=C2OCOC2=C1)C(=O)O MCULE-4439989402 [0,0,0,1,0,0|1,0,0]=2 270 B16R2.6257 N[C@@H](CC1=CC=C2OCOC2=C1)C(=O)O MCULE-5079624776 [0,0,0,1,0,0|1,0,0]=2 271 B16R2.6257 N[C@H](CC1=CC=C2CCCC2=C1)C(=O)O MCULE-8583916290 [0,0,0,1,0,0|3,0,0]=4 272 B16R2.54887 COC1=C(C=CC(=C1)C2CC2C(=O)O)F MCULE-8273873893 [0,0,0,1,0,0|1,0,0]=2 273 B14R1.41 COC1=C(C=CC(=C1)C(N)C(=O)O)F MCULE-3049421613 [0,0,0,0,1,0|2,0,0]=3 274 B14R1.41 COC1=C(C=CC(=C1)C(N)C(=O)O)F MCULE-5161814305 [0,0,0,0,1,0|2,0,0]=3 275 B14R1.41 COC1=C(C=CC(=C1)C(O)C(=O)O)O MCULE-9059916420 [0,0,0,0,1,0|1,0,0]=2 276 B14R1.41 COC1=C(C=CC(=C1)[C@H](O)[C@@H](C)O)O MCULE-1693044031 [0,0,0,0,1,0|2,0,1]=4 277 B14R1.41 COC1=C(C=CC(=C1)[C@H](O)[C@H](C)O)O MCULE-4655844215 [0,0,0,0,1,0|2,0,1]=4 278 B14R1.41 COC1=C(C=CC(=C1)[C@H](O)[C@H](C)O)O MCULE-4803036142 [0,0,0,0,1,0|2,0,1]=4 279 B14R1.41 COC1=CC(=CC=C1F)C(N)C(=O)O MCULE-5931301580 [0,0,0,0,1,0|2,0,0]=3 280 B14R1.41 COC1=CC(=CC=C1F)C(N)C(=O)O MCULE-7568205171 [0,0,0,0,1,0|2,0,0]=3 281 B14R1.41 COC1=CC(=CC=C1F)[C@@H](N)C(=O)O MCULE-3890536928 [0,0,0,0,1,0|2,0,0]=3 282 B14R1.41 COC1=CC(=CC=C1F)[C@@H](N)C(=O)O MCULE-7389235101 [0,0,0,0,1,0|2,0,0]=3 283 B14R1.41 COC1=CC(=CC=C1F)[C@H](N)C(=O)O MCULE-1427894600 [0,0,0,0,1,0|2,0,0]=3 284 B14R1.41 COC1=CC(=CC=C1F)[C@H](N)C(=O)O MCULE-1537406397 [0,0,0,0,1,0|2,0,0]=3 285 B14R1.41 COC1=CC(=CC=C1F)[C@H](N)C(=O)O MCULE-5036045626 [0,0,0,0,1,0|2,0,0]=3 286 B14R1.41 COC1=CC(=CC=C1F)[C@H](N)C(=O)O MCULE-7202628333 [0,0,0,0,1,0|2,0,0]=3 287 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)O MCULE-8004641058 [0,0,0,0,1,0|1,0,1]=3 288 B14R1.41 COC1=CC(=CC=C1O)C(N)C(=O)O MCULE-9636080074 [0,0,0,0,1,0|1,0,0]=2 289 B14R1.41 COC1=CC(=CC=C1O)[C@@H](N)[C@H](C)O MCULE-4094335048 [0,0,0,0,1,0|2,0,1]=4 290 B14R1.41 COC1=CC(=CC=C1O)[C@@H](N)[C@H](C)O MCULE-7199940331 [0,0,0,0,1,0|2,0,1]=4 291 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)[C@H](C)O MCULE-9366024347 [0,0,0,0,1,0|2,0,1]=4 292 B14R1.41 COC1=CC(=CC=C1O)[C@H](N)[C@@H](C)O MCULE-4463083189 [0,0,0,0,1,0|2,0,1]=4 293 B14R1.41 COC1=CC(=CC=C1O)[C@H](N)[C@@H](C)O MCULE-6190991503 [0,0,0,0,1,0|2,0,1]=4 294 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)O MCULE-9574412120 [2,0,0,0,0,0|1,0,0]=3 295 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C MCULE-7369215560 [2,0,0,0,0,0|1,0,0]=3 296 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl MCULE-9054375105 [2,0,0,0,0,0|2,0,0]=4 297 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)F MCULE-9844554977 [2,0,0,0,0,0|2,0,0]=4 298 B13R1.511 CC1=C(C=C(C=C1)NCC(=O)O)C MCULE-4433663518 [2,0,0,0,0,0|2,0,0]=4 299 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br MCULE-9232565026 [2,0,0,0,0,0|1,0,0]=3 300 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Cl MCULE-3566859648 [2,0,0,0,0,0|1,0,0]=3 301 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)F MCULE-7289492177 [2,0,0,0,0,0|1,0,0]=3 302 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)N MCULE-6184550961 [2,0,0,0,0,0|2,0,0]=4 303 B13R1.511 CC1=CC(=CC=C1Br)OCC(=O)O MCULE-6650767466 [2,0,0,0,0,0|2,0,0]=4 304 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O MCULE-5714027283 [2,0,0,0,0,0|2,0,0]=4 305 B13R1.511 CC1=CC(=CC=C1O)CCC(=O)O MCULE-3677897760 [2,0,0,0,0,0|0,0,0]=2 306 B13R1.511 CC1=CC=C(C=C1Br)CCC(=O)O MCULE-8631544438 [2,0,0,0,0,0|2,0,0]=4 307 B13R1.511 CC1=CC=C(C=C1C)OCC(=O)O MCULE-8375976395 [2,0,0,0,0,0|2,0,0]=4 308 B13R1.511 CC1=CC=C(C=C1N)CCC(=O)O MCULE-2806484036 [2,0,0,0,0,0|2,0,0]=4 309 B13R1.511 CC1=CC=C(C=C1O)CCC(=O)O MCULE-7926065965 [2,0,0,0,0,0|1,0,0]=3 310 B13R1.511 NC1=C(C=CC(=C1)CCC(=O)O)O MCULE-5447737067 [2,0,0,0,0,0|1,0,0]=3 311 B13R1.511 NC1=CC(=CC=C1Br)CCC(=O)O MCULE-3775547039 [2,0,0,0,0,0|2,0,0]=4 312 B13R1.511 O=C(O)/C=C/C1=CC=C(C(=C1)O)O MCULE-7843599914 [2,0,0,0,0,0|0,0,2]=4 313 B13R1.511 O=C(O)/C=C\C1=CC=C(C(=C1)O)O MCULE-3932376334 [2,0,0,0,0,0|0,0,2]=4 314 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O MCULE-2069871168 [2,0,0,0,0,0|0,0,2]=4 315 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl MCULE-2058184264 [2,0,0,0,0,0|2,0,0]=4 316 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl MCULE-6356184282 [2,0,0,0,0,0|2,0,0]=4 317 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F MCULE-2041860695 [2,0,0,0,0,0|2,0,0]=4 318 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)F)Cl MCULE-2045173249 [2,0,0,0,0,0|2,0,0]=4 319 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)F)F MCULE-8785469868 [2,0,0,0,0,0|2,0,0]=4 320 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Br MCULE-7229181192 [2,0,0,0,0,0|1,0,0]=3 321 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl MCULE-4283987039 [2,0,0,0,0,0|1,0,0]=3 322 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)F MCULE-8491503229 [2,0,0,0,0,0|1,0,0]=3 323 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Br)Cl MCULE-3510621934 [2,0,0,0,0,0|2,0,0]=4 324 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Br)F MCULE-4528970991 [2,0,0,0,0,0|2,0,0]=4 325 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)F)Br MCULE-2316980738 [2,0,0,0,0,0|2,0,0]=4 326 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O MCULE-4912045197 [2,0,0,0,0,0|0,0,0]=2 327 B13R1.575 COC1=C(C=CC(=C1)/C=C/C=O)O MCULE-7395128935 [2,0,0,0,0,0|0,0,2]=4 328 B13R1.575 COC1=C(C=CC(=C1)CCCO)F MCULE-2686792983 [2,0,0,0,0,0|1,0,1]=4 329 B13R1.575 COC1=CC(=CC=C1C)CCCO MCULE-4678792350 [2,0,0,0,0,0|1,0,1]=4 330 B13R1.575 COC1=CC(=CC=C1O)C=CC=O MCULE-2157553829 [2,0,0,0,0,0|0,0,2]=4 331 B13R1.575 COC1=CC(=CC=C1O)CCC=O MCULE-4206732803 [2,0,0,0,0,0|0,0,0]=2 332 B13R1.575 COC1=CC(=CC=C1O)CCCO MCULE-4527135958 [2,0,0,0,0,0|0,0,1]=3 333 B13R1.643 C#CC1=CC(=CC=C1)CCC(=O)O MCULE-9791504217 [2,0,0,0,0,0|1,0,1]=4 334 B13R1.643 C=C(Br)CCC1=CC=CC(=C1)OC MCULE-3105711895 [2,0,0,0,0,0|2,0,0]=4 335 B13R1.643 C=C(C)CCC1=CC=CC(=C1)OC MCULE-7183131245 [2,0,0,0,0,0|2,0,0]=4 336 B13R1.643 C=C(Cl)CCC1=CC=CC(=C1)OC MCULE-6335954847 [2,0,0,0,0,0|2,0,0]=4 337 B13R1.643 CCC1=CC(=CC=C1)CCC(=O)O MCULE-6324109477 [2,0,0,0,0,0|1,0,0]=3 338 B13R1.643 CCC1=CC=CC(=C1)OCC(=O)O MCULE-5194029045 [2,0,0,0,0,0|2,0,0]=4 339 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)O MCULE-6328059715 [2,0,0,0,0,0|0,0,2]=4 340 B13R1.643 COC1=CC(=CC=C1)C#CC(=O)O MCULE-5908722515 [2,0,0,0,0,0|0,0,2]=4 341 B13R1.643 COC1=CC(=CC=C1)C=CC(=O)O MCULE-5752702758 [2,0,0,0,0,0|0,0,2]=4 342 B13R1.643 COC1=CC(=CC=C1)CNC(=O)N MCULE-7818870187 [2,0,0,0,0,0|2,0,0]=4 343 B13R1.643 COC1=CC(=CC=C1)COC(=O)Cl MCULE-3526952706 [2,0,0,0,0,0|2,0,0]=4 344 B13R1.643 COC1=CC(=CC=C1)NCC(=O)O MCULE-6677970797 [2,0,0,0,0,0|1,0,0]=3 345 B13R1.643 COC1=CC(=CC=C1)OCC(=O)Cl MCULE-4066373833 [2,0,0,0,0,0|2,0,0]=4 346 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O MCULE-7621193232 [2,0,0,0,0,0|1,0,0]=3 347 B13R1.643 COC1=CC(=CC=C1)SCC(=O)O MCULE-2935125788 [2,0,0,0,0,0|1,0,0]=3 348 B13R1.643 COC1=CC(=CN=C1)CCC(=O)O MCULE-4512977514 [2,0,0,0,0,0|1,0,0]=3 349 B13R1.643 COC1=CC=CC(=C1)CCC(=O)C MCULE-7078246852 [2,0,0,0,0,0|1,0,0]=3 350 B13R1.643 COC1=CC=CC(=C1)CCC(=O)Cl MCULE-7622201832 [2,0,0,0,0,0|1,0,0]=3 351 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O MCULE-9952224448 [2,0,0,0,0,0|0,0,0]=2 352 B13R1.643 COC1=NC(=CC=C1)CCC(=O)O MCULE-4616821497 [2,0,0,0,0,0|1,0,0]=3 353 B13R1.643 COC1=NC=CC(=C1)CCC(=O)O MCULE-1671868589 [2,0,0,0,0,0|1,0,0]=3 354 B13R1.643 N#CC1=CC(=CC=C1)CCC(=O)O MCULE-1095145860 [2,0,0,0,0,0|2,0,0]=4 355 B13R1.643 NCC1=CC(=CC=C1)CCC(=O)O MCULE-5955967575 [2,0,0,0,0,0|2,0,0]=4 356 B13R1.643 NCC1=CC(=CC=C1)CCC(=O)O MCULE-7118837178 [2,0,0,0,0,0|2,0,0]=4 357 B13R1.643 O=CC1=CC=CC(=C1)CCC(=O)O MCULE-6704406960 [2,0,0,0,0,0|2,0,0]=4 358 B13R1.81 COC1=CC(=CC=C1)CC(N)CO MCULE-3024448572 [2,0,0,0,0,0|1,0,1]=4 359 B13R1.81 COC1=CC=CC(=C1)C[C@H](N)CO MCULE-3582960497 [2,0,0,0,0,0|1,0,1]=4 360 B13R1.148 CC(=O)C(C)OC1=CC(=CC=C1)C MCULE-2339060071 [2,0,0,0,0,0|2,0,0]=4 361 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-6477232957 [2,0,0,0,0,0|1,0,0]=3 362 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O MCULE-2517739295 [2,0,0,0,0,0|1,0,0]=3 363 B13R1.148 CC(CC1=CC=CC(=C1)Br)C(=O)O MCULE-5772259355 [2,0,0,0,0,0|1,0,0]=3 364 B13R1.148 CC(CC1=CC=CC(=C1)I)C(=O)O MCULE-8176960531 [2,0,0,0,0,0|1,0,0]=3 365 B13R1.148 CC(NC1=CC(=CC=C1)Cl)C(=O)O MCULE-7894494892 [2,0,0,0,0,0|2,0,0]=4 366 B13R1.148 CC(NC1=CC(=CC=C1)F)C(=O)O MCULE-8522788218 [2,0,0,0,0,0|2,0,0]=4 367 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O MCULE-6728334783 [2,0,0,0,0,0|2,0,0]=4 368 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O MCULE-4001320020 [2,0,0,0,0,0|2,0,0]=4 369 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O MCULE-1681578178 [2,0,0,0,0,0|2,0,0]=4 370 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O MCULE-4531619217 [2,0,0,0,0,0|2,0,0]=4 371 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O MCULE-9191803008 [2,0,0,0,0,0|2,0,0]=4 372 B13R1.148 CC(OC1=CC(=CC=C1)O)C(=O)N MCULE-5765776704 [2,0,0,0,0,0|2,0,0]=4 373 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-1997175050 [2,0,0,0,0,0|1,0,0]=3 374 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-9587136551 [2,0,0,0,0,0|1,0,0]=3 375 B13R1.148 CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-8447730242 [2,0,0,0,0,0|1,0,0]=3 376 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5228247053 [2,0,0,0,0,0|1,0,0]=3 377 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8475369617 [2,0,0,0,0,0|1,0,0]=3 378 B13R1.148 CC1=CC(=CC=C1)NC(C)C(=O)O MCULE-3747265425 [2,0,0,0,0,0|1,0,0]=3 379 B13R1.148 CC1=CC(=CC=C1)N[C@H](C)C(=O)O MCULE-1792180462 [2,0,0,0,0,0|1,0,0]=3 380 B13R1.148 CC1=CC(=CC=C1)N[C@H](C)C(=O)O MCULE-2731721435 [2,0,0,0,0,0|1,0,0]=3 381 B13R1.148 CC1=CC(=CC=C1)SC(C)C(=O)O MCULE-5875862962 [2,0,0,0,0,0|1,0,0]=3 382 B13R1.148 CC1=CC=CC(=C1)CC(C)C(=O)O MCULE-8982907611 [2,0,0,0,0,0|0,0,0]=2 383 B13R1.148 CC1=CC=CC(=C1)CC(N)C(=O)O MCULE-1770281237 [2,0,0,0,0,0|1,0,0]=3 384 B13R1.148 CC1=CC=CC(=C1)C[C@@H](N)C(=O)O MCULE-8538987390 [2,0,0,0,0,0|1,0,0]=3 385 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)Cl MCULE-7634632978 [2,0,0,0,0,0|2,0,0]=4 386 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O MCULE-6224204814 [2,0,0,0,0,0|1,0,0]=3 387 B13R1.148 CC1=CC=CC(=C1)O[C@@H](C)C(=O)O MCULE-3228201056 [2,0,0,0,0,0|1,0,0]=3 388 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O MCULE-2348274001 [2,0,0,0,0,0|2,0,0]=4 389 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O MCULE-6147884206 [2,0,0,0,0,0|2,0,0]=4 390 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-1289187602 [2,0,0,0,0,0|2,0,0]=4 391 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-8409034063 [2,0,0,0,0,0|2,0,0]=4 392 B13R1.148 NC(CC1=CC(=CC=C1)F)C(=O)O MCULE-3048081903 [2,0,0,0,0,0|2,0,0]=4 393 B13R1.148 NC(CC1=CC(=CC=C1)I)C(=O)O MCULE-4400986534 [2,0,0,0,0,0|2,0,0]=4 394 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1682126004 [2,0,0,0,0,0|1,0,0]=3 395 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1870924489 [2,0,0,0,0,0|1,0,0]=3 396 B13R1.148 NC(CC1=CC=CC(=C1)Br)C(=O)O MCULE-8007269772 [2,0,0,0,0,0|2,0,0]=4 397 B13R1.148 NC(CC1=CC=CC(=C1)Cl)C(=O)O MCULE-1743986990 [2,0,0,0,0,0|2,0,0]=4 398 B13R1.148 NC(CC1=CC=CC(=C1)Cl)C(=O)O MCULE-6477168764 [2,0,0,0,0,0|2,0,0]=4 399 B13R1.148 NC(CC1=CC=CC(=C1)F)C(=O)O MCULE-1037840303 [2,0,0,0,0,0|2,0,0]=4 400 B13R1.148 NC(CC1=CC=CC(=C1)F)C(=O)O MCULE-1978574097 [2,0,0,0,0,0|2,0,0]=4 401 B13R1.148 NC(CC1=CC=CC(=C1)O)C(=O)O MCULE-7197195437 [2,0,0,0,0,0|1,0,0]=3 402 B13R1.148 NC1=CC(=CC=C1)CC(N)C(=O)O MCULE-2467932131 [2,0,0,0,0,0|2,0,0]=4 403 B13R1.148 NC1=CC(=CC=C1)CC(N)C(=O)O MCULE-5537013080 [2,0,0,0,0,0|2,0,0]=4 404 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2052828414 [2,0,0,0,0,0|2,0,0]=4 405 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2924867217 [2,0,0,0,0,0|2,0,0]=4 406 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5878731697 [2,0,0,0,0,0|2,0,0]=4 407 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8248386535 [2,0,0,0,0,0|2,0,0]=4 408 B13R1.148 NC1=CC=CC(=C1)CC(N)C(=O)O MCULE-6788793962 [2,0,0,0,0,0|2,0,0]=4 409 B13R1.148 NC1=CC=CC(=C1)CC(N)C(=O)O MCULE-7989672916 [2,0,0,0,0,0|2,0,0]=4 410 B13R1.148 N[C@@H](CC1=CC(=CC=C1)Br)C(=O)O MCULE-3495438482 [2,0,0,0,0,0|2,0,0]=4 411 B13R1.148 N[C@@H](CC1=CC(=CC=C1)Cl)C(=O)O MCULE-9561585574 [2,0,0,0,0,0|2,0,0]=4 412 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-2356956274 [2,0,0,0,0,0|1,0,0]=3 413 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-1686064373 [2,0,0,0,0,0|2,0,0]=4 414 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-4183003026 [2,0,0,0,0,0|2,0,0]=4 415 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-5029761730 [2,0,0,0,0,0|2,0,0]=4 416 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-6284927524 [2,0,0,0,0,0|2,0,0]=4 417 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-9100547203 [2,0,0,0,0,0|2,0,0]=4 418 B13R1.148 N[C@@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-7481903657 [2,0,0,0,0,0|2,0,0]=4 419 B13R1.148 N[C@@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-8671021032 [2,0,0,0,0,0|2,0,0]=4 420 B13R1.148 N[C@@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-6787387564 [2,0,0,0,0,0|2,0,0]=4 421 B13R1.148 N[C@@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-8633614286 [2,0,0,0,0,0|2,0,0]=4 422 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-2174973339 [2,0,0,0,0,0|1,0,0]=3 423 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-6923480945 [2,0,0,0,0,0|1,0,0]=3 424 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-8483193639 [2,0,0,0,0,0|1,0,0]=3 425 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-4455335179 [2,0,0,0,0,0|1,0,0]=3 426 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-6512619298 [2,0,0,0,0,0|1,0,0]=3 427 B13R1.148 N[C@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-6055691240 [2,0,0,0,0,0|2,0,0]=4 428 B13R1.148 N[C@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-8797288798 [2,0,0,0,0,0|2,0,0]=4 429 B13R1.148 N[C@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-5153208600 [2,0,0,0,0,0|2,0,0]=4 430 B13R1.148 N[C@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-7991505295 [2,0,0,0,0,0|2,0,0]=4 431 B13R1.148 N[C@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-2189181945 [2,0,0,0,0,0|2,0,0]=4 432 B13R1.148 N[C@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-5152700511 [2,0,0,0,0,0|2,0,0]=4 433 B13R1.148 N[C@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-1640787822 [2,0,0,0,0,0|2,0,0]=4 434 B13R1.148 N[C@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-7721290088 [2,0,0,0,0,0|2,0,0]=4 435 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O MCULE-1866756519 [2,0,0,0,0,0|1,0,1]=4 436 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O MCULE-6498936138 [2,0,0,0,0,0|1,0,1]=4 437 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Br MCULE-3046403950 [2,0,0,0,0,0|2,0,0]=4 438 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl MCULE-9442017506 [2,0,0,0,0,0|2,0,0]=4 439 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)F MCULE-2359914332 [2,0,0,0,0,0|2,0,0]=4 440 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)O MCULE-6217953446 [2,0,0,0,0,0|1,0,0]=3 441 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(=C1)F MCULE-4562223673 [2,0,0,0,0,0|2,0,0]=4 442 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(=C1)F MCULE-7772826280 [2,0,0,0,0,0|2,0,0]=4 443 B13R1.148 O=C(O)[C@H](O)CC1=CC=CC(=C1)Br MCULE-5782934287 [2,0,0,0,0,0|2,0,0]=4 444 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-6683812666 [2,0,0,0,0,0|1,0,0]=3 445 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-1280505558 [2,0,0,0,0,0|1,0,0]=3 446 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)Cl MCULE-3149956298 [2,0,0,0,0,0|2,0,0]=4 447 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O MCULE-5939301963 [2,0,0,0,0,0|1,0,0]=3 448 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O MCULE-5845815463 [2,0,0,0,0,0|1,0,0]=3 449 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O MCULE-2516510846 [2,0,0,0,0,0|0,0,0]=2 450 B13R1.133 CC(NC1=CC=C(C=C1)Br)C(=O)O MCULE-6489432108 [2,0,0,0,0,0|2,0,0]=4 451 B13R1.133 CC(NC1=CC=C(C=C1)Cl)C(=O)O MCULE-8986903361 [2,0,0,0,0,0|2,0,0]=4 452 B13R1.133 CC(NC1=CC=C(C=C1)F)C(=O)O MCULE-6392334081 [2,0,0,0,0,0|2,0,0]=4 453 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O MCULE-2899606616 [2,0,0,0,0,0|2,0,0]=4 454 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O MCULE-2806188004 [2,0,0,0,0,0|2,0,0]=4 455 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O MCULE-4636762506 [2,0,0,0,0,0|2,0,0]=4 456 B13R1.133 CC(OC1=CC=C(C=C1)I)C(=O)O MCULE-1220379374 [2,0,0,0,0,0|2,0,0]=4 457 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N MCULE-3442482535 [2,0,0,0,0,0|2,0,0]=4 458 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)O MCULE-3910586263 [2,0,0,0,0,0|1,0,0]=3 459 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)O MCULE-8109698642 [2,0,0,0,0,0|1,0,0]=3 460 B13R1.133 CC(OC1=NC=C(C=C1)O)C(=O)O MCULE-8981560377 [2,0,0,0,0,0|2,0,0]=4 461 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O MCULE-1446499549 [2,0,0,0,0,0|2,0,0]=4 462 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O MCULE-8222588241 [2,0,0,0,0,0|2,0,0]=4 463 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O MCULE-3934690491 [2,0,0,0,0,0|2,0,0]=4 464 B13R1.133 CC(SC1=CC=C(C=C1)N)C(=O)O MCULE-3495898588 [2,0,0,0,0,0|2,0,0]=4 465 B13R1.133 CC(SC1=CC=C(C=C1)N)C(=O)O MCULE-7599867683 [2,0,0,0,0,0|2,0,0]=4 466 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O MCULE-4590037722 [2,0,0,0,0,0|1,0,0]=3 467 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O MCULE-5938013882 [2,0,0,0,0,0|2,0,0]=4 468 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O MCULE-5941415626 [2,0,0,0,0,0|2,0,0]=4 469 B13R1.133 CC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-4074563438 [2,0,0,0,0,0|2,0,0]=4 470 B13R1.133 CC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-6283014667 [2,0,0,0,0,0|2,0,0]=4 471 B13R1.133 CC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-4426041269 [2,0,0,0,0,0|2,0,0]=4 472 B13R1.133 CC1=CC=C(C=C1)NC(C)C(=O)O MCULE-2473610216 [2,0,0,0,0,0|2,0,0]=4 473 B13R1.133 CC1=CC=C(C=C1)N[C@@H](C)C(=O)O MCULE-5578025031 [2,0,0,0,0,0|2,0,0]=4 474 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O MCULE-5755742192 [2,0,0,0,0,0|2,0,0]=4 475 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O MCULE-2194590140 [2,0,0,0,0,0|2,0,0]=4 476 B13R1.133 CC1=NC=C(C=C1)CC(C)C(=O)O MCULE-3690219579 [2,0,0,0,0,0|2,0,0]=4 477 B13R1.133 C[C@@H](OC1=CC=C(C=C1)Br)C(=O)O MCULE-9582407611 [2,0,0,0,0,0|2,0,0]=4 478 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O MCULE-2306319707 [2,0,0,0,0,0|1,0,0]=3 479 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O MCULE-2747836834 [2,0,0,0,0,0|1,0,0]=3 480 B13R1.133 C[C@H](OC1=CC=C(C=C1)Br)C(=O)O MCULE-7345498401 [2,0,0,0,0,0|2,0,0]=4 481 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O MCULE-5436371376 [2,0,0,0,0,0|2,0,0]=4 482 B13R1.133 C[C@H](OC1=CC=C(C=C1)I)C(=O)O MCULE-7333151537 [2,0,0,0,0,0|2,0,0]=4 483 B13R1.133 C[C@H](OC1=CC=C(C=C1)O)C(=O)O MCULE-3555894490 [2,0,0,0,0,0|1,0,0]=3 484 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)O MCULE-4534251709 [2,0,0,0,0,0|2,0,0]=4 485 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)O MCULE-6666960690 [2,0,0,0,0,0|2,0,0]=4 486 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)O MCULE-7581214871 [2,0,0,0,0,0|2,0,0]=4 487 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-2962528193 [2,0,0,0,0,0|2,0,0]=4 488 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-4978506956 [2,0,0,0,0,0|2,0,0]=4 489 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-6881448953 [2,0,0,0,0,0|2,0,0]=4 490 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-8756948838 [2,0,0,0,0,0|2,0,0]=4 491 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O MCULE-3717625016 [2,0,0,0,0,0|2,0,0]=4 492 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O MCULE-5489720734 [2,0,0,0,0,0|2,0,0]=4 493 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O MCULE-6882717101 [2,0,0,0,0,0|2,0,0]=4 494 B13R1.133 NC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-1775451572 [2,0,0,0,0,0|2,0,0]=4 495 B13R1.133 NC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-7470720579 [2,0,0,0,0,0|2,0,0]=4 496 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2078281838 [2,0,0,0,0,0|2,0,0]=4 497 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3147443800 [2,0,0,0,0,0|2,0,0]=4 498 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6446437625 [2,0,0,0,0,0|2,0,0]=4 499 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-1002354431 [2,0,0,0,0,0|2,0,0]=4 500 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-3057881279 [2,0,0,0,0,0|2,0,0]=4 501 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-3274733318 [2,0,0,0,0,0|2,0,0]=4 502 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-9271769862 [2,0,0,0,0,0|2,0,0]=4 503 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O MCULE-3082140157 [2,0,0,0,0,0|2,0,0]=4 504 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O MCULE-8666804898 [2,0,0,0,0,0|2,0,0]=4 505 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-1694199256 [2,0,0,0,0,0|1,0,0]=3 506 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-3703416768 [2,0,0,0,0,0|1,0,0]=3 507 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-6898017610 [2,0,0,0,0,0|1,0,0]=3 508 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-3239737488 [2,0,0,0,0,0|2,0,0]=4 509 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-6150381462 [2,0,0,0,0,0|2,0,0]=4 510 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-9416228233 [2,0,0,0,0,0|2,0,0]=4 511 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-1451751780 [2,0,0,0,0,0|2,0,0]=4 512 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-2816716756 [2,0,0,0,0,0|2,0,0]=4 513 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-6139445410 [2,0,0,0,0,0|2,0,0]=4 514 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-9266819464 [2,0,0,0,0,0|2,0,0]=4 515 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-2156725008 [2,0,0,0,0,0|2,0,0]=4 516 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-3637255624 [2,0,0,0,0,0|2,0,0]=4 517 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-4975962563 [2,0,0,0,0,0|2,0,0]=4 518 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-7143135740 [2,0,0,0,0,0|2,0,0]=4 519 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8089296783 [2,0,0,0,0,0|2,0,0]=4 520 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-4387611400 [2,0,0,0,0,0|2,0,0]=4 521 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-7124632876 [2,0,0,0,0,0|2,0,0]=4 522 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-7237411145 [2,0,0,0,0,0|2,0,0]=4 523 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-9545997189 [2,0,0,0,0,0|2,0,0]=4 524 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-1704209264 [2,0,0,0,0,0|2,0,0]=4 525 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-4577062521 [2,0,0,0,0,0|2,0,0]=4 526 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8737892544 [2,0,0,0,0,0|2,0,0]=4 527 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8976470347 [2,0,0,0,0,0|2,0,0]=4 528 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2723914313 [2,0,0,0,0,0|2,0,0]=4 529 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-6302870801 [2,0,0,0,0,0|2,0,0]=4 530 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-2932088896 [2,0,0,0,0,0|1,0,0]=3 531 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-2973514450 [2,0,0,0,0,0|1,0,0]=3 532 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6154244493 [2,0,0,0,0,0|1,0,0]=3 533 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-8059108702 [2,0,0,0,0,0|1,0,0]=3 534 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-] MCULE-5588166039 [2,0,0,0,0,0|1,0,1]=4 535 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-] MCULE-6851459722 [2,0,0,0,0,0|1,0,1]=4 536 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-4875394682 [2,0,0,0,0,0|2,0,0]=4 537 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8335788231 [2,0,0,0,0,0|2,0,0]=4 538 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8515191610 [2,0,0,0,0,0|2,0,0]=4 539 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2834745731 [2,0,0,0,0,0|2,0,0]=4 540 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3982277557 [2,0,0,0,0,0|2,0,0]=4 541 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-4128938211 [2,0,0,0,0,0|2,0,0]=4 542 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6437321299 [2,0,0,0,0,0|2,0,0]=4 543 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-1442650276 [2,0,0,0,0,0|2,0,0]=4 544 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-3700362961 [2,0,0,0,0,0|2,0,0]=4 545 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8139852905 [2,0,0,0,0,0|2,0,0]=4 546 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-9312923607 [2,0,0,0,0,0|2,0,0]=4 547 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2177794046 [2,0,0,0,0,0|2,0,0]=4 548 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2766032223 [2,0,0,0,0,0|2,0,0]=4 549 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6003337645 [2,0,0,0,0,0|1,0,0]=3 550 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-7719741497 [2,0,0,0,0,0|1,0,0]=3 551 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O MCULE-7014208403 [2,0,0,0,0,0|1,0,1]=4 552 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)Cl MCULE-5204071465 [2,0,0,0,0,0|2,0,0]=4 553 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F MCULE-5681231647 [2,0,0,0,0,0|2,0,0]=4 554 B13R1.133 O=C(O)C(F)CC1=CC=C(C=C1)O MCULE-6083408945 [2,0,0,0,0,0|1,0,0]=3 555 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)Br MCULE-7943248642 [2,0,0,0,0,0|2,0,0]=4 556 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)Cl MCULE-5286691003 [2,0,0,0,0,0|2,0,0]=4 557 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F MCULE-6155847565 [2,0,0,0,0,0|2,0,0]=4 558 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)O MCULE-3818086505 [2,0,0,0,0,0|1,0,0]=3 559 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)Br MCULE-5481131839 [2,0,0,0,0,0|2,0,0]=4 560 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)Cl MCULE-3794917513 [2,0,0,0,0,0|2,0,0]=4 561 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)Cl MCULE-8872282292 [2,0,0,0,0,0|2,0,0]=4 562 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)F MCULE-4209923445 [2,0,0,0,0,0|2,0,0]=4 563 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)I MCULE-3480936336 [2,0,0,0,0,0|2,0,0]=4 564 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)I MCULE-5777591096 [2,0,0,0,0,0|2,0,0]=4 565 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O MCULE-6006549262 [2,0,0,0,0,0|1,0,0]=3 566 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O MCULE-6391958547 [2,0,0,0,0,0|1,0,0]=3 567 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)Br MCULE-2757025614 [2,0,0,0,0,0|2,0,0]=4 568 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)Br MCULE-5816449429 [2,0,0,0,0,0|2,0,0]=4 569 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)Cl MCULE-2366295919 [2,0,0,0,0,0|2,0,0]=4 570 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)Cl MCULE-3979202399 [2,0,0,0,0,0|2,0,0]=4 571 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)F MCULE-2135193623 [2,0,0,0,0,0|2,0,0]=4 572 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)F MCULE-4947433128 [2,0,0,0,0,0|2,0,0]=4 573 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O MCULE-3449547842 [2,0,0,0,0,0|1,0,0]=3 574 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O MCULE-5440585564 [2,0,0,0,0,0|1,0,0]=3 575 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)C)C(=O)O MCULE-6439185943 [2,0,0,0,0,0|2,0,0]=4 576 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-5291387050 [2,0,0,0,0,0|2,0,0]=4 577 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-6099117172 [2,0,0,0,0,0|2,0,0]=4 578 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-7165201455 [2,0,0,0,0,0|2,0,0]=4 579 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)O)C(=O)N MCULE-1861808000 [2,0,0,0,0,0|2,0,0]=4 580 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)O)C(=O)N MCULE-5954878034 [2,0,0,0,0,0|2,0,0]=4 581 B13R1.133 [C@H](O)(CC1=CC=C(C=C1)Br)C(=O)O MCULE-1724377709 [2,0,0,0,0,0|2,0,0]=4 582 B13R1.133 [NH3+]C(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2011771181 [2,0,0,0,0,0|2,0,0]=4 583 B13R1.2879 CNC(C)CC1=CC=C(C(=C1)O)O MCULE-1428143156 [2,0,0,0,0,0|2,0,0]=4 584 B13R1.2879 CNC(C)CC1=CC=C(C(=C1)O)O MCULE-1781328892 [2,0,0,0,0,0|2,0,0]=4 585 B13R1.52 C=C(C)CC1=CC(=C(C=C1)Br)OC MCULE-8153984668 [2,0,0,0,0,0|1,0,1]=4 586 B13R1.52 C=C(C)CC1=CC=C(C(=C1)OC)Cl MCULE-1388980610 [2,0,0,0,0,0|1,0,1]=4 587 B13R1.52 C=C(C)CC1=CC=C(C(=C1)OC)F MCULE-4250529642 [2,0,0,0,0,0|1,0,1]=4 588 B13R1.52 COC1=C(C=CC(=C1)CC(=O)C)O MCULE-5228649937 [2,0,0,0,0,0|0,0,1]=3 589 B13R1.52 COC1=CC(=CC=C1O)CC(=O)O MCULE-8190136486 [2,0,0,0,0,0|1,0,1]=4 590 B13R1.52 COC1=CC(=CC=C1O)CC(C)N MCULE-4369992361 [2,0,0,0,0,0|1,0,0]=3 591 B13R1.52 COC1=CC(=CC=C1O)CC(C)N MCULE-4909629047 [2,0,0,0,0,0|1,0,0]=3 592 B13R1.52 COC1=CC(=CC=C1O)NC(=O)C MCULE-8989763447 [2,0,0,0,0,0|1,0,1]=4 593 B13R1.52 COC1=CC(=CC=C1O)OC(=O)C MCULE-9603945894 [2,0,0,0,0,0|1,0,1]=4 594 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O MCULE-4514871088 [1,1,0,0,0,0|0,0,2]=4 595 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)O)O MCULE-3790432930 [1,1,0,0,0,0|0,0,2]=4 596 B15R1.392 COC1=C(C(=CC(=C1)C=CC(=O)O)Br)O MCULE-5531510358 [1,1,0,0,0,0|0,0,2]=4 597 B15R1.392 COC1=C(C(=CC(=C1)C=CC(=O)O)Cl)O MCULE-9923599536 [1,1,0,0,0,0|0,0,2]=4 598 B15R1.392 COC1=C(C(=CC(=C1)C=CC(=O)O)I)O MCULE-6769285431 [1,1,0,0,0,0|0,0,2]=4 599 B15R1.392 COC1=C(C(=CC(=C1)C=CC(=O)O)O)O MCULE-7642803239 [1,1,0,0,0,0|0,0,2]=4 600 B15R1.392 COC1=C(C(=O)OC(=C1)CCC(=O)O)C MCULE-4891853933 [1,1,0,0,0,0|2,0,0]=4 601 B15R1.531 CCOC1=C(C=CC(=C1)C=CC(=O)O)O MCULE-3495229494 [1,1,0,0,0,0|0,0,2]=4 602 B15R1.531 CCOC1=C(C=CC(=C1)CCC(=O)C)O MCULE-8211477668 [1,1,0,0,0,0|1,0,0]=3 603 B15R1.531 CCOC1=C(C=CC(=C1)CCC(C)O)O MCULE-3798670147 [1,1,0,0,0,0|1,0,1]=4 604 B15R1.531 CCOC1=CC(=CC=C1O)CCC(=O)O MCULE-7745455212 [1,1,0,0,0,0|0,0,0]=2 605 B15R1.873 CC(=O)C1=C(C=CC(=C1)OCC(=O)O)O MCULE-5240744487 [1,1,0,0,0,0|2,0,0]=4 606 B15R1.873 O=C(O)CCC1=CC=C(C(=C1)N(=O)=O)O MCULE-4856844067 [1,1,0,0,0,0|2,0,0]=4 607 B15R1.1803 COC1=NC(=C(C=C1Br)Br)CCC(=O)O MCULE-6381417811 [1,1,0,0,0,0|2,0,0]=4 608 B15R1.4037 C=C(C)C[C@@H](N)C1=CC=C(C(=C1)OC)O MCULE-5741424940 [1,1,0,0,0,0|2,0,0]=4 609 B15R1.4037 C=C(C)C[C@@H](N)C1=CC=C(C(=C1)OC)O MCULE-8438916292 [1,1,0,0,0,0|2,0,0]=4 610 B15R1.4037 C=C(C)C[C@H](N)C1=CC=C(C(=C1)OC)O MCULE-8844620938 [1,1,0,0,0,0|2,0,0]=4 611 B15R1.4037 C=C(C)C[C@H](N)C1=CC=C(C(=C1)OC)O MCULE-8972031500 [1,1,0,0,0,0|2,0,0]=4 612 B15R1.4037 COC1=CC(=CC=C1O)C(N)CC(=O)O MCULE-1448409618 [1,1,0,0,0,0|0,0,0]=2 613 B15R1.4039 COC(=O)/C=C/C1=CC(=C(C=C1)O)OC MCULE-7084750759 [1,1,0,0,0,0|0,0,2]=4 614 B15R1.4039 COC(=O)C=CC1=CC(=C(C=C1)O)OC MCULE-1297302420 [1,1,0,0,0,0|0,0,2]=4 615 B15R1.4039 COC(=O)CCC1=CC(=C(C=C1)O)C=O MCULE-2459187268 [1,1,0,0,0,0|2,0,0]=4 616 B15R1.4039 COC(=O)CCC1=CC=C(C(=C1)OC)O MCULE-6818657862 [1,1,0,0,0,0|0,0,0]=2 617 B15R1.4039 COC1=C(C=CC(=C1)CCC(=NO)C)O MCULE-2237831038 [1,1,0,0,0,0|1,0,0]=3 618 B15R1.5194 COC1=C(C(=CC=C1Cl)CCC(=O)O)F MCULE-1797061018 [1,1,0,0,0,0|1,0,0]=3 619 B15R1.5194 COC1=C(C=CC(=C1Cl)CCC(=O)O)F MCULE-1139872863 [1,1,0,0,0,0|1,0,0]=3 620 B15R1.12854 C=C(Br)CCC1=CC(=C(C=C1)OC)OC MCULE-2658016354 [1,1,0,0,0,0|2,0,0]=4 621 B15R1.12854 C=C(C)CCC1=CC(=C(C=C1)OC)OC MCULE-6630462020 [1,1,0,0,0,0|2,0,0]=4 622 B15R1.12854 C=C(Cl)CCC1=CC(=C(C=C1)OC)OC MCULE-7268406585 [1,1,0,0,0,0|2,0,0]=4 623 B15R1.12854 COC1=C(C=C(C=C1)C#CC(=O)O)OC MCULE-1981981425 [1,1,0,0,0,0|0,0,2]=4 624 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)O)OC MCULE-5134512966 [1,1,0,0,0,0|0,0,2]=4 625 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)N)OC MCULE-9678247190 [1,1,0,0,0,0|1,0,0]=3 626 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC MCULE-7250132283 [1,1,0,0,0,0|0,0,0]=2 627 B15R1.12854 COC1=C(C=C(C=C1)CNC(=O)C)OC MCULE-2623741792 [1,1,0,0,0,0|2,0,0]=4 628 B15R1.12854 COC1=C(C=C(C=C1)CNC(=O)N)OC MCULE-8378438145 [1,1,0,0,0,0|2,0,0]=4 629 B15R1.12854 COC1=CC(=CC=C1C=O)OCC(=O)O MCULE-9852343836 [1,1,0,0,0,0|1,0,1]=4 630 B15R1.12854 COC1=CC(=CC=C1CO)OCC(=O)O MCULE-1369228566 [1,1,0,0,0,0|1,0,0]=3 631 B15R1.12854 COC1=CC=C(C=C1C=O)CCC(=O)O MCULE-4542027376 [1,1,0,0,0,0|2,0,0]=4 632 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/C(=O)O MCULE-4648711215 [1,1,0,0,0,0|0,0,2]=4 633 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)Cl MCULE-8690515525 [1,1,0,0,0,0|1,0,0]=3 634 B15R1.12854 COC1=CC=C(C=C1OC)SCC(=O)O MCULE-1620372806 [1,1,0,0,0,0|1,0,0]=3 635 B15R1.63 CCC1=CC(=CC=C1)C[C@H](N)C(=O)OC MCULE-1140103663 [1,1,0,0,0,0|2,0,0]=4 636 B15R1.63 CCC1=CC=CC(=C1)C[C@@H](N)C(=O)OC MCULE-4546302053 [1,1,0,0,0,0|2,0,0]=4 637 B15R1.63 CCC1=CC=CC(=C1)C[C@H](N)C(=O)OC MCULE-6609970111 [1,1,0,0,0,0|2,0,0]=4 638 B15R1.63 CNC(=O)C(C)OC1=CC=CC(=C1)OC MCULE-1469536103 [1,1,0,0,0,0|2,0,0]=4 639 B15R1.63 COC(=O)C(C)OC1=CC(=CC=C1)OC MCULE-5064268745 [1,1,0,0,0,0|1,0,0]=3 640 B15R1.63 COC(=O)C(N)CC1=CC(=CC=C1)OC MCULE-4071310443 [1,1,0,0,0,0|1,0,0]=3 641 B15R1.63 COC(=O)C(N)CC1=CC=CC(=C1)OC MCULE-7286605397 [1,1,0,0,0,0|1,0,0]=3 642 B15R1.63 COC(=O)[C@@H](N)CC1=CC=CC(=C1)OC MCULE-2830718499 [1,1,0,0,0,0|1,0,0]=3 643 B15R1.63 COC(=O)[C@@H](N)CC1=CC=CC(=C1)OC MCULE-5273344003 [1,1,0,0,0,0|1,0,0]=3 644 B15R1.63 COC(=O)[C@@H](N)CC1=CC=CC(=C1)OC MCULE-6058791117 [1,1,0,0,0,0|1,0,0]=3 645 B15R1.63 COC(=O)[C@@H](N)CC1=CC=CC(=C1)OC MCULE-9627565910 [1,1,0,0,0,0|1,0,0]=3 646 B15R1.63 COC(=O)[C@@H](N)CC1=NC(=CC=C1)OC MCULE-8209975756 [1,1,0,0,0,0|2,0,0]=4 647 B15R1.63 COC(=O)[C@H](N)CC1=CC=CC(=C1)OC MCULE-2286205264 [1,1,0,0,0,0|1,0,0]=3 648 B15R1.63 COC(=O)[C@H](N)CC1=CC=CC(=C1)OC MCULE-3249429782 [1,1,0,0,0,0|1,0,0]=3 649 B15R1.63 COC(=O)[C@H](N)CC1=CC=CC(=C1)OC MCULE-3287592196 [1,1,0,0,0,0|1,0,0]=3 650 B15R1.63 COC(=O)[C@H](N)CC1=CC=CC(=C1)OC MCULE-3405125920 [1,1,0,0,0,0|1,0,0]=3 651 B15R1.63 COC(=O)[C@H](N)CC1=NC(=CC=C1)OC MCULE-9115907257 [1,1,0,0,0,0|2,0,0]=4 652 B15R1.63 COC1=CC(=CC=C1)CN(C)C(=O)CCl MCULE-3993952339 [1,1,0,0,0,0|2,0,0]=4 653 B15R1.63 COC1=CC(=CC=C1)CN(C)C(=O)CN MCULE-6132729009 [1,1,0,0,0,0|2,0,0]=4 654 B15R1.63 COC1=CC=CC(=C1)OC(C)C(=O)NN MCULE-7700672552 [1,1,0,0,0,0|2,0,0]=4 655 B15R1.66 COC1=CC(=CC=C1)C(N)C(O)C(=O)O MCULE-9811921430 [1,1,0,0,0,0|1,0,0]=3 656 B15R1.66 COC1=CC(=CC=C1)[C@@H](N)[C@@H](O)C(=O)O MCULE-4641016355 [1,1,0,0,0,0|1,0,0]=3 657 B15R1.66 COC1=CC(=CC=C1)[C@H](N)[C@H](O)C(=O)O MCULE-3886860906 [1,1,0,0,0,0|1,0,0]=3 658 B15R1.69 COC1=C(C(=CC=C1)CC(N)C(=O)O)C MCULE-3616472671 [1,1,0,0,0,0|1,0,0]=3 659 B15R1.421 COC1=CC(=CC(=C1)C)CC(C)C(=O)O MCULE-5846101887 [1,1,0,0,0,0|0,0,0]=2 660 B15R1.421 COC1=CC(=CC(=C1)C[C@H](N)C(=O)O)Br MCULE-2234649973 [1,1,0,0,0,0|1,0,0]=3 661 B15R1.501 CC(=O)C1=CC=CC(=C1)OC(C)C(=O)O MCULE-5897817709 [1,1,0,0,0,0|2,0,0]=4 662 B15R1.501 CC(C)C1=CC(=CC=C1)CC(C)C(=O)O MCULE-3090996801 [1,1,0,0,0,0|1,0,0]=3 663 B15R1.501 CC(C)C1=CC(=CC=C1)OC(C)C(=O)O MCULE-6548197766 [1,1,0,0,0,0|2,0,0]=4 664 B15R1.501 CC(OC1=CC=CC(=C1)N(C)C)C(=O)O MCULE-9361698226 [1,1,0,0,0,0|2,0,0]=4 665 B15R1.567 CCOC1=CC=CC(=C1)CC(C)C(=O)O MCULE-7751965163 [1,1,0,0,0,0|0,0,0]=2 666 B15R1.567 CCOC1=CC=CC(=C1)CC(N)C(=O)O MCULE-3094470514 [1,1,0,0,0,0|1,0,0]=3 667 B15R1.1626 CCC(=CC1=CC(=CC=C1)OC)C(=O)O MCULE-8465188057 [1,1,0,0,0,0|0,0,2]=4 668 B15R1.1626 CCC(CC1=CC(=CC=C1)C#N)C(=O)O MCULE-2613075492 [1,1,0,0,0,0|2,0,0]=4 669 B15R1.1626 CCC(CC1=CC=CC(=C1)OC)C(=O)O MCULE-1447095607 [1,1,0,0,0,0|0,0,0]=2 670 B15R1.1626 CCC(NC1=CC(=CC=C1)OC)C(=O)O MCULE-8377747730 [1,1,0,0,0,0|1,0,0]=3 671 B15R1.1626 CCC(OC1=CC(=CC=C1)OC)C(=O)O MCULE-6252981356 [1,1,0,0,0,0|1,0,0]=3 672 B15R1.1626 CCC(OC1=CC=CC(=C1)OC)C(=O)N MCULE-2024841950 [1,1,0,0,0,0|2,0,0]=4 673 B15R1.1626 COC1=CC(=CC=C1)CC(CN)C(=O)O MCULE-4099530927 [1,1,0,0,0,0|0,0,0]=2 674 B15R1.1626 COC1=CC(=CC=C1)CC(CN)C(=O)O MCULE-8755996122 [1,1,0,0,0,0|0,0,0]=2 675 B15R1.4415 COC1=CC(=CC=C1)CC(C)(C)C(=O)O MCULE-3351468450 [1,1,0,0,0,0|0,0,0]=2 676 B15R1.4415 COC1=CC(=CC=C1)CC(C)(N)C(=O)O MCULE-9868118294 [1,1,0,0,0,0|0,0,0]=2 677 B15R1.4415 COC1=CC(=CC=C1)OC(C)(C)C(=O)[O-] MCULE-7083403689 [1,1,0,0,0,0|1,0,1]=4 678 B15R1.4415 COC1=CC=CC(=C1)NC(C)(C)C(=O)O MCULE-9282159727 [1,1,0,0,0,0|1,0,0]=3 679 B15R1.4415 COC1=CC=CC(=C1)OC(C)(C)C(=O)O MCULE-3483957278 [1,1,0,0,0,0|1,0,0]=3 680 B15R1.4602 COC1=CC=C(C(=C1)CC(C)C(=O)O)F MCULE-1719427189 [1,1,0,0,0,0|0,0,0]=2 681 B15R1.676 CC1=CC=C(C=C1C)CC(C#N)C(=O)O MCULE-1945077879 [1,1,0,0,0,0|1,0,1]=4 682 B15R1.676 CCC(CC1=CC(=C(C=C1)C)C)C(=O)O MCULE-7244338480 [1,1,0,0,0,0|1,0,0]=3 683 B15R1.676 CCC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-2253324803 [1,1,0,0,0,0|2,0,0]=4 684 B15R1.676 CCC(CC1=CC=C(C(=C1)C)O)C(=O)O MCULE-7881346727 [1,1,0,0,0,0|0,0,0]=2 685 B15R1.676 CCC(CC1=CC=C(C(=C1)F)C)C(=O)O MCULE-9056059149 [1,1,0,0,0,0|2,0,0]=4 686 B15R1.676 CCC(OC1=CC(=C(C=C1)C)C)C(=O)O MCULE-9648861990 [1,1,0,0,0,0|2,0,0]=4 687 B15R1.676 CCC(OC1=CC=C(C(=C1)C)Cl)C(=O)O MCULE-1899247128 [1,1,0,0,0,0|2,0,0]=4 688 B15R1.676 NCC(CC1=CC=C(C(=C1)Cl)Cl)C(=O)O MCULE-6005376215 [1,1,0,0,0,0|2,0,0]=4 689 B15R1.890 NC(C(=O)O)C(O)C1=CC=C(C(=C1)O)O MCULE-2196760309 [1,1,0,0,0,0|1,0,0]=3 690 B15R1.890 N[C@@H](C(=O)O)[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-6927631657 [1,1,0,0,0,0|1,0,0]=3 691 B15R1.890 N[C@@H](C(=O)O)[C@H](O)C1=CC=C(C(=C1)Cl)O MCULE-3894027171 [1,1,0,0,0,0|2,0,0]=4 692 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(=C(C=C1)O)O MCULE-2260723124 [1,1,0,0,0,0|1,0,0]=3 693 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(=C(C=C1)O)O MCULE-5172677574 [1,1,0,0,0,0|1,0,0]=3 694 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC=C(C(=C1)Cl)O MCULE-5832005568 [1,1,0,0,0,0|2,0,0]=4 695 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)C MCULE-4576635965 [1,1,0,0,0,0|0,0,0]=2 696 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F MCULE-9585703204 [1,1,0,0,0,0|1,0,0]=3 697 B15R1.3777 COC1=C(C=C(C=C1)CC(N)C(=O)O)O MCULE-5884291477 [1,1,0,0,0,0|1,0,0]=3 698 B15R1.3777 COC1=C(C=C(C=C1)C[C@@H](N)C(=O)O)F MCULE-1496356474 [1,1,0,0,0,0|2,0,0]=4 699 B15R1.3777 COC1=C(C=C(C=C1)C[C@H](N)C(=O)O)C MCULE-6784461708 [1,1,0,0,0,0|1,0,0]=3 700 B15R1.3777 COC1=C(C=C(C=C1)C[C@H](N)C(=O)O)F MCULE-8709215261 [1,1,0,0,0,0|2,0,0]=4 701 B15R1.3777 COC1=CC=C(C=C1F)CC(N)C(=O)O MCULE-6887943165 [1,1,0,0,0,0|2,0,0]=4 702 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-4895674857 [1,1,0,0,0,0|1,0,0]=3 703 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-6180340931 [1,1,0,0,0,0|1,0,0]=3 704 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-6667736520 [1,1,0,0,0,0|1,0,0]=3 705 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-6834322773 [1,1,0,0,0,0|1,0,0]=3 706 B15R1.5521 COC(=O)C(C)OC1=CC=C(C(=C1)C)C MCULE-1253782009 [1,1,0,0,0,0|2,0,0]=4 707 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F MCULE-1440475052 [1,1,0,0,0,0|2,0,0]=4 708 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F MCULE-2390202300 [1,1,0,0,0,0|2,0,0]=4 709 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)I MCULE-6783616801 [1,1,0,0,0,0|2,0,0]=4 710 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)O MCULE-5224971073 [1,1,0,0,0,0|1,0,0]=3 711 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)O MCULE-9236741215 [1,1,0,0,0,0|1,0,0]=3 712 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)C)F MCULE-7204396993 [1,1,0,0,0,0|2,0,0]=4 713 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)C)F MCULE-9354485918 [1,1,0,0,0,0|2,0,0]=4 714 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)I)O MCULE-1550420120 [1,1,0,0,0,0|2,0,0]=4 715 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)C)C MCULE-1389611498 [1,1,0,0,0,0|2,0,0]=4 716 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)C)O MCULE-4452021995 [1,1,0,0,0,0|2,0,0]=4 717 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)Cl)C MCULE-9623033685 [1,1,0,0,0,0|2,0,0]=4 718 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)Cl)O MCULE-7199910600 [1,1,0,0,0,0|2,0,0]=4 719 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)C MCULE-1144633759 [1,1,0,0,0,0|1,0,0]=3 720 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)Cl MCULE-9082614619 [1,1,0,0,0,0|2,0,0]=4 721 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)I MCULE-1453641501 [1,1,0,0,0,0|2,0,0]=4 722 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)C)F MCULE-9422781893 [1,1,0,0,0,0|2,0,0]=4 723 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)C)N MCULE-2216971743 [1,1,0,0,0,0|2,0,0]=4 724 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)O MCULE-4643702580 [1,1,0,0,0,0|2,0,0]=4 725 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)O MCULE-9841550381 [1,1,0,0,0,0|2,0,0]=4 726 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)I)O MCULE-5476102781 [1,1,0,0,0,0|2,0,0]=4 727 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)I)O MCULE-5790251739 [1,1,0,0,0,0|2,0,0]=4 728 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)N)O MCULE-3506197717 [1,1,0,0,0,0|2,0,0]=4 729 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)N)O MCULE-5696536890 [1,1,0,0,0,0|2,0,0]=4 730 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)F MCULE-9432253598 [1,1,0,0,0,0|2,0,0]=4 731 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-3252157436 [1,1,0,0,0,0|1,0,0]=3 732 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-6374263286 [1,1,0,0,0,0|1,0,0]=3 733 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-8067117723 [1,1,0,0,0,0|1,0,0]=3 734 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-8985334842 [1,1,0,0,0,0|1,0,0]=3 735 B15R1.5521 COC(=O)[C@@H](N)CC1=CN=C(C(=C1)C)O MCULE-4450087721 [1,1,0,0,0,0|2,0,0]=4 736 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)C)C MCULE-5189764989 [1,1,0,0,0,0|2,0,0]=4 737 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)C)O MCULE-5390799441 [1,1,0,0,0,0|2,0,0]=4 738 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)Cl)C MCULE-2812682071 [1,1,0,0,0,0|2,0,0]=4 739 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)Cl)O MCULE-4405481316 [1,1,0,0,0,0|2,0,0]=4 740 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)C MCULE-8960861848 [1,1,0,0,0,0|1,0,0]=3 741 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)Cl MCULE-4935118102 [1,1,0,0,0,0|2,0,0]=4 742 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)F MCULE-3709153442 [1,1,0,0,0,0|2,0,0]=4 743 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)O MCULE-2863430745 [1,1,0,0,0,0|1,0,0]=3 744 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)O MCULE-6047781856 [1,1,0,0,0,0|1,0,0]=3 745 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)C)F MCULE-9938834797 [1,1,0,0,0,0|2,0,0]=4 746 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)C)N MCULE-7014888092 [1,1,0,0,0,0|2,0,0]=4 747 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)N)O MCULE-8782971236 [1,1,0,0,0,0|2,0,0]=4 748 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)O)F MCULE-2330341894 [1,1,0,0,0,0|2,0,0]=4 749 B15R1.5521 COC(=O)[C@H](N)CC1=CN=C(C(=C1)C)O MCULE-2957772909 [1,1,0,0,0,0|2,0,0]=4 750 B15R1.5521 [C@H](N)(CC1=CC(=C(C=C1)O)I)C(=O)OC MCULE-7708678960 [1,1,0,0,0,0|2,0,0]=4 751 B15R1.8394 CC1=CC(=C(C=C1C)C[C@H](N)C(=O)O)C MCULE-3582992353 [1,1,0,0,0,0|2,0,0]=4 752 B15R1.8394 CC1=CC(=C(C=C1C)C[C@H](N)C(=O)O)C MCULE-4136854985 [1,1,0,0,0,0|2,0,0]=4 753 B15R1.8394 CC1=CC(=C(C=C1C)C[C@H](N)C(=O)O)C MCULE-5079518209 [1,1,0,0,0,0|2,0,0]=4 754 B15R1.8394 NC(CC1=CC(=C(C=C1O)O)O)C(=O)O MCULE-2477170525 [1,1,0,0,0,0|1,0,0]=3 755 B15R1.8394 N[C@@H](CC1=CC(=C(C=C1F)O)O)C(=O)O MCULE-4971741080 [1,1,0,0,0,0|1,0,0]=3 756 B15R1.8394 N[C@@H](CC1=CC(=C(C=C1O)O)O)C(=O)O MCULE-2121185408 [1,1,0,0,0,0|1,0,0]=3 757 B15R1.8394 N[C@@H](CC1=CC(=C(C=C1O)O)O)C(=O)O MCULE-2764183839 [1,1,0,0,0,0|1,0,0]=3 758 B15R1.8408 N[C@@H](CC1=CC=C(C(=C1Cl)Cl)O)C(=O)O MCULE-3118843241 [1,1,0,0,0,0|2,0,0]=4 759 B15R1.11316 CC(N)(CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-3456177599 [1,1,0,0,0,0|0,0,0]=2 760 B15R1.11316 CC(N)(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-9799621874 [1,1,0,0,0,0|0,0,0]=2 761 B15R1.11316 CC1=C(C=C(C=C1)OC(C)(C)C(=O)O)C MCULE-1136514632 [1,1,0,0,0,0|2,0,0]=4 762 B15R1.11316 CC1=C(C=CC(=C1)CC(C)(C)C(=O)O)Br MCULE-7924197034 [1,1,0,0,0,0|1,0,0]=3 763 B15R1.11316 CC1=C(C=CC(=C1)OC(C)(C)C(=O)O)Cl MCULE-2767537616 [1,1,0,0,0,0|2,0,0]=4 764 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-1237132549 [1,1,0,0,0,0|0,0,0]=2 765 B15R1.11316 C[C@@](N)(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-5420221348 [1,1,0,0,0,0|0,0,0]=2 766 B15R1.11316 C[C@@](N)(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-8162687635 [1,1,0,0,0,0|0,0,0]=2 767 B15R1.11316 C[C@@](N)(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-8417570910 [1,1,0,0,0,0|0,0,0]=2 768 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-3420546236 [1,1,0,0,0,0|0,0,0]=2 769 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-8885874119 [1,1,0,0,0,0|0,0,0]=2 770 B15R1.11316 C[C@](N)(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-1576289240 [1,1,0,0,0,0|0,0,0]=2 771 B15R1.28955 CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)O MCULE-8053468745 [1,1,0,0,0,0|2,0,0]=4 772 B15R1.28955 CC1=CC(=CC(=C1F)C)CC(N)C(=O)O MCULE-2595932920 [1,1,0,0,0,0|2,0,0]=4 773 B15R1.28955 CC1=CC(=CC(=C1O)C)C[C@H](N)C(=O)O MCULE-8080579062 [1,1,0,0,0,0|1,0,0]=3 774 B15R1.28955 CC1=CC(=CC(=C1O)C)C[C@H](N)C(=O)O MCULE-8891684168 [1,1,0,0,0,0|1,0,0]=3 775 B15R1.28955 CC1=CC(=CC(=C1O)C)C[C@H](N)C(=O)O MCULE-8928222101 [1,1,0,0,0,0|1,0,0]=3 776 B15R1.28955 NC(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-5166640674 [1,1,0,0,0,0|2,0,0]=4 777 B15R1.28955 NC(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-8363391164 [1,1,0,0,0,0|2,0,0]=4 778 B15R1.28955 NC(CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-3334322632 [1,1,0,0,0,0|2,0,0]=4 779 B15R1.28955 NC(CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-3657815295 [1,1,0,0,0,0|2,0,0]=4 780 B15R1.28955 NC(CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-8487991141 [1,1,0,0,0,0|2,0,0]=4 781 B15R1.28955 NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-1616749918 [1,1,0,0,0,0|2,0,0]=4 782 B15R1.28955 NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-1965639885 [1,1,0,0,0,0|2,0,0]=4 783 B15R1.28955 NC1=CC(=CC(=C1O)N)C[C@H](N)C(=O)O MCULE-5978028537 [1,1,0,0,0,0|2,0,0]=4 784 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-8410912496 [1,1,0,0,0,0|2,0,0]=4 785 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-9516823368 [1,1,0,0,0,0|2,0,0]=4 786 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-1219203098 [1,1,0,0,0,0|2,0,0]=4 787 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-8663520163 [1,1,0,0,0,0|2,0,0]=4 788 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-4142079700 [1,1,0,0,0,0|2,0,0]=4 789 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-5983808972 [1,1,0,0,0,0|2,0,0]=4 790 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-9134060130 [1,1,0,0,0,0|2,0,0]=4 791 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-2428039618 [1,1,0,0,0,0|2,0,0]=4 792 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-3219127934 [1,1,0,0,0,0|2,0,0]=4 793 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-6979596463 [1,1,0,0,0,0|2,0,0]=4 794 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-7323663103 [1,1,0,0,0,0|2,0,0]=4 795 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-1037881535 [1,1,0,0,0,0|2,0,0]=4 796 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-2649053573 [1,1,0,0,0,0|2,0,0]=4 797 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-3002342156 [1,1,0,0,0,0|2,0,0]=4 798 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-8023653344 [1,1,0,0,0,0|2,0,0]=4 799 B15R1.3769 COC1=C(C=C(C=C1)CC(C)C#N)OC MCULE-2938197224 [1,1,0,0,0,0|1,0,1]=4 800 B15R1.3769 COC1=C(C=C(C=C1)CC(C)CN)OC MCULE-9413665853 [1,1,0,0,0,0|1,0,1]=4 801 B15R1.3769 COC1=CC=C(C=C1OC)CC(O)CO MCULE-8391710743 [1,1,0,0,0,0|1,0,1]=4 802 B15R1.4029 CCC(C)[C@@H](N)C1=CC=C(C(=C1)OC)O MCULE-1136749857 [1,1,0,0,0,0|1,0,1]=4 803 B15R1.4029 CCC(C)[C@@H](N)C1=CC=C(C(=C1)OC)O MCULE-5229730087 [1,1,0,0,0,0|1,0,1]=4 804 B15R1.4029 CCC(C)[C@H](N)C1=CC=C(C(=C1)OC)O MCULE-8375117731 [1,1,0,0,0,0|1,0,1]=4 805 B15R1.4029 CCC(C)[C@H](N)C1=CC=C(C(=C1)OC)O MCULE-9018481349 [1,1,0,0,0,0|1,0,1]=4 806 B15R1.4029 COC1=C(C=CC(=C1)[C@@H](O)[C@H](O)CO)O MCULE-6872942277 [1,1,0,0,0,0|1,0,1]=4 807 B15R1.4029 COC1=C(C=CC(=C1)[C@H](O)[C@H](O)CO)O MCULE-5583747814 [1,1,0,0,0,0|1,0,1]=4 808 B15R1.4029 COC1=CC(=CC=C1O)[C@@H](O)[C@@H](O)CO MCULE-5240137493 [1,1,0,0,0,0|1,0,1]=4 809 B15R1.4029 COC1=CC(=CC=C1O)[C@@H](O)[C@H](O)CO MCULE-9785680946 [1,1,0,0,0,0|1,0,1]=4 810 B15R1.4049 COC1=CC(=CC=C1Cl)C(C)(C)C(=O)C MCULE-2693334045 [0,1,0,0,1,0|2,0,0]=4 811 B15R1.12853 COC1=C(C=C(C=C1)C(=O)C(=O)O)OC MCULE-9573795255 [0,1,0,0,1,0|1,0,1]=4 812 B15R1.12853 COC1=C(C=C(C=C1)C(C)C(=O)O)OC MCULE-5096119216 [0,1,0,0,1,0|0,0,0]=2 813 B15R1.12853 COC1=C(C=C(C=C1)C(N)C(=O)O)OC MCULE-8231178802 [0,1,0,0,1,0|1,0,0]=3 814 B15R1.12853 COC1=C(C=C(C=C1)[C@@H](N)C(=O)O)OC MCULE-6007824581 [0,1,0,0,1,0|1,0,0]=3 815 B15R1.12853 COC1=C(C=C(C=C1)[C@H](N)C(=O)O)OC MCULE-2977374760 [0,1,0,0,1,0|1,0,0]=3 816 B15R1.12853 COC1=C(N=C(C=C1)C(N)C(=O)O)OC MCULE-5638542786 [0,1,0,0,1,0|2,0,0]=4 817 B15R1.12853 COC1=CC=C(C=C1OC)C(C)C(=O)C MCULE-9154512178 [0,1,0,0,1,0|1,0,0]=3 818 B15R1.12853 COC1=CC=C(C=C1OC)C(N)C(=O)N MCULE-9574420762 [0,1,0,0,1,0|2,0,0]=4 819 B15R1.12853 COC1=CC=C(C=C1OC)C(O)C(=O)N MCULE-2626697404 [0,1,0,0,1,0|2,0,0]=4 820 B15R1.12853 COC1=CC=C(C=C1OC)C(O)C(=O)O MCULE-4668389754 [0,1,0,0,1,0|1,0,0]=3 821 B15R1.12853 COC1=CC=C(C=C1OC)[C@H](N)C(=O)O MCULE-1730811891 [0,1,0,0,1,0|1,0,0]=3 822 B17R1.47977 COC1=CC=C(C=C1OC)CC(N)CC(=O)O MCULE-9853093119 [0,1,0,0,0,1|1,0,0]=3 823 B17R1.455 COC(=O)[C@@H](N)CC1=CC(=C(C(=C1)F)F)OC MCULE-4348879867 [0,2,0,0,0,0|2,0,0]=4 824 B17R1.455 COC(=O)[C@H](N)CC1=CC(=C(C(=C1)F)F)OC MCULE-6456293166 [0,2,0,0,0,0|2,0,0]=4 825 B17R1.8349 COC(=O)C(N)CC1=CC=C(C(=C1)C(=O)C)O MCULE-8680549052 [0,2,0,0,0,0|2,0,0]=4 826 B17R1.8349 COC(=O)C(N)CC1=CC=C(C(=C1)C(=O)C)O MCULE-9637269325 [0,2,0,0,0,0|2,0,0]=4 827 B17R1.8349 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)C(=O)C MCULE-1865376855 [0,2,0,0,0,0|2,0,0]=4 828 B17R1.23512 CC(CC1=CC=C(C(=C1)C(F)(F)F)O)C(=O)O MCULE-2883914262 [0,2,0,0,0,0|2,0,0]=4 829 B17R1.4638 C=CC(=O)N(C)CC1=CC=C(C(=C1)OC)OC MCULE-1730133634 [0,2,0,0,0,0|2,0,0]=4 830 B17R1.4638 COC(=O)C(N)CC1=CC(=C(C=C1)OC)OC MCULE-6823358721 [0,2,0,0,0,0|1,0,0]=3 831 B17R1.4638 COC(=O)C(N)CC1=CC=C(C(=C1)OC)OC MCULE-4638170707 [0,2,0,0,0,0|1,0,0]=3 832 B17R1.4638 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)OC)OC MCULE-2949012840 [0,2,0,0,0,0|1,0,0]=3 833 B17R1.4638 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)OC)OC MCULE-3324204118 [0,2,0,0,0,0|1,0,0]=3 834 B17R1.4638 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)OC)OC MCULE-4402522603 [0,2,0,0,0,0|1,0,0]=3 835 B17R1.4638 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)OC)OC MCULE-7928862141 [0,2,0,0,0,0|1,0,0]=3 836 B17R1.4638 COC(=O)[C@H](N)CC1=CC(=C(C=C1)OC)OC MCULE-3177654289 [0,2,0,0,0,0|1,0,0]=3 837 B17R1.4641 COC1=CC=C(C=C1OC)C(N)C(O)C(=O)O MCULE-3854935299 [0,2,0,0,0,0|1,0,0]=3 838 B17R1.4641 COC1=CC=C(C=C1OC)[C@@H](N)[C@@H](O)C(=O)O MCULE-7395413239 [0,2,0,0,0,0|1,0,0]=3 839 B17R1.4641 COC1=CC=C(C=C1OC)[C@H](N)[C@H](O)C(=O)O MCULE-7069745729 [0,2,0,0,0,0|1,0,0]=3 840 B17R1.28753 COC1=CC(=C(C=C1OC)CC(N)C(=O)O)F MCULE-5342962024 [0,2,0,0,0,0|1,0,0]=3 841 B17R1.37672 COC1=C(C=C(C=C1)CC(C)(N)C(=O)O)OC MCULE-9202815701 [0,2,0,0,0,0|0,0,0]=2 842 B17R1.37672 COC1=CC=C(C=C1OC)C[C@](C)(N)C(=O)O MCULE-2351045538 [0,2,0,0,0,0|0,0,0]=2 843 B17R1.37672 COC1=CC=C(C=C1OC)C[C@](C)(N)C(=O)O MCULE-5723851830 [0,2,0,0,0,0|0,0,0]=2 844 B17R1.37672 COC1=CC=C(C=C1OC)C[C@](C)(N)C(=O)O MCULE-5801346141 [0,2,0,0,0,0|0,0,0]=2 845 B17R1.47979 CCC(CC1=CC(=C(C=C1)OC)OC)C(=O)O MCULE-8137036312 [0,2,0,0,0,0|0,0,0]=2 846 B17R1.47979 COC1=C(C=C(C=C1)CC(CN)C(=O)O)OC MCULE-4787727984 [0,2,0,0,0,0|0,0,0]=2 847 B17R1.47979 COC1=CC=C(C=C1OC)CC(C#N)C(=O)O MCULE-3936518392 [0,2,0,0,0,0|0,0,1]=3 848 B17R1.42190 COC1=CC(=CC=C1O)CC(C)(NN)C(=O)O MCULE-8637361168 [0,2,0,0,0,0|0,0,0]=2 849 B17R1.23511 CC(C)OC1=CC(=CC=C1F)CC(C)C(=O)O MCULE-1725715517 [0,2,0,0,0,0|1,0,0]=3 850 B15R2.1754 COC1=C(C=C2NC(=O)CCC2=C1)N MCULE-8376657501 [1,0,0,1,0,0|2,0,0]=4 851 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 MCULE-6077230919 [1,0,0,1,0,0|0,0,2]=4 852 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 MCULE-3259096651 [1,0,0,1,0,0|1,0,0]=3 853 B15R2.7688 CC(=O)NCC1=CC=C2OCOC2=C1 MCULE-7575232678 [1,0,0,1,0,0|2,0,0]=4 854 B15R2.7688 CC(=O)OCC1=CC=C2OCOC2=C1 MCULE-8867623182 [1,0,0,1,0,0|2,0,0]=4 855 B15R2.7688 CC(O)CCC1=CC2=C(C=C1)OCO2 MCULE-3985575371 [1,0,0,1,0,0|1,0,1]=4 856 B15R2.7688 NC(=O)CCC1=CC2=C(C=C1)OCO2 MCULE-7577780642 [1,0,0,1,0,0|1,0,0]=3 857 B15R2.7688 NC(=O)NCC1=CC=C2OCOC2=C1 MCULE-4139365321 [1,0,0,1,0,0|2,0,0]=4 858 B15R2.7688 O=C(Cl)CCC1=CC=C2OCOC2=C1 MCULE-4122571360 [1,0,0,1,0,0|1,0,0]=3 859 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OCO2 MCULE-4602416073 [1,0,0,1,0,0|0,0,2]=4 860 B15R2.7688 O=C(O)C#CC1=CC2=C(C=C1)OCO2 MCULE-8561000281 [1,0,0,1,0,0|0,0,2]=4 861 B15R2.7688 O=C(O)C=CC1=CC2=C(C=C1)OCO2 MCULE-1823540360 [1,0,0,1,0,0|0,0,2]=4 862 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)CCC2 MCULE-3729028547 [1,0,0,1,0,0|2,0,0]=4 863 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 MCULE-1079857405 [1,0,0,1,0,0|1,0,0]=3 864 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 MCULE-4590406717 [1,0,0,1,0,0|0,0,0]=2 865 B15R2.7688 O=C(O)COC1=CC=C2OCOC2=C1 MCULE-6944067053 [1,0,0,1,0,0|1,0,0]=3 866 B15R2.36352 COC1=C(C=CC2=C1OC(=O)C=C2)O MCULE-8110335853 [1,0,0,1,0,0|0,0,2]=4 867 B15R2.4755 COC1=CC(=CC=C1)C2CC2C(=O)O MCULE-9677085859 [1,0,0,1,0,0|0,0,0]=2 868 B15R2.4755 COC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O MCULE-4710486021 [1,0,0,1,0,0|0,0,0]=2 869 B15R2.4755 COC1=CC=CC(=C1)C2CC2C(=O)C MCULE-3475091624 [1,0,0,1,0,0|1,0,0]=3 870 B15R2.4755 COC1=CC=CC(=C1)C2CC2C(=O)N MCULE-3950386093 [1,0,0,1,0,0|1,0,0]=3 871 B15R2.4755 COC1=CC=CC(=C1)C2CC2C(C)O MCULE-1352238330 [1,0,0,1,0,0|1,0,1]=4 872 B15R2.4755 COC1=CC=CC(=C1)C2OC2C(=O)O MCULE-1300162190 [1,0,0,1,0,0|1,0,0]=3 873 B15R2.4755 COC1=CC=CC(=C1)[C@H]2C[C@@H]2C(=O)O MCULE-3872254239 [1,0,0,1,0,0|0,0,0]=2 874 B15R2.4755 N#CC1=CC=CC(=C1)[C@@H]2C[C@H]2C(=O)O MCULE-8176051895 [1,0,0,1,0,0|2,0,0]=4 875 B15R2.4834 COC1=CC=C2CC(NC2=C1)C(=O)O MCULE-4641376562 [1,0,0,1,0,0|1,0,0]=3 876 B15R2.4834 COC1=CC=C2CC(OC2=C1)C(=O)O MCULE-6412237474 [1,0,0,1,0,0|1,0,0]=3 877 B15R2.4834 COC1=CC=C2OC(CC2=C1)C(=O)O MCULE-3763717605 [1,0,0,1,0,0|1,0,0]=3 878 B15R2.20824 COC1=C2OC(CC2=CC=C1)C(=O)O MCULE-7623312018 [1,0,0,1,0,0|1,0,0]=3 879 B15R2.20824 COC1=CC=CC2=C1CC(C2)C(=O)O MCULE-6514931988 [1,0,0,1,0,0|0,0,0]=2 880 B15R2.21336 COC1=CC2=C(C=C1)NC(=O)C(N2)C MCULE-4362493920 [1,0,0,1,0,0|2,0,0]=4 881 B15R2.21336 COC1=CC=C2NC(=O)C(CC2=C1)N MCULE-7228370980 [1,0,0,1,0,0|2,0,0]=4 882 B15R2.21336 COC1=CC=C2NC(=O)C(CC2=C1)O MCULE-8049855631 [1,0,0,1,0,0|2,0,0]=4 883 B15R2.1102 CC1=C(C=C2OC(CC2=C1)C(=O)O)C MCULE-1435757199 [1,0,0,1,0,0|2,0,0]=4 884 B15R2.18974 CC(=O)C1CC1C2=CC=C(C(=C2)C)C MCULE-4389571545 [1,0,0,1,0,0|2,0,0]=4 885 B15R2.18974 CC1=C(C=C(C=C1)C2CC2C(=O)O)C MCULE-3942063340 [1,0,0,1,0,0|1,0,0]=3 886 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)C MCULE-4862488270 [1,0,0,1,0,0|1,0,0]=3 887 B15R2.18974 O=C(O)C1CC1C2=CC(=C(C=C2)Br)Cl MCULE-5294015107 [1,0,0,1,0,0|2,0,0]=4 888 B15R2.18974 O=C(O)C1CC1C2=CC(=C(C=C2)Cl)Cl MCULE-4016322253 [1,0,0,1,0,0|2,0,0]=4 889 B15R2.18974 O=C(O)C1CC1C2=CC(=C(C=C2)Cl)F MCULE-5607529829 [1,0,0,1,0,0|2,0,0]=4 890 B15R2.18974 O=C(O)C1CC1C2=CC(=C(C=C2)F)F MCULE-5175222657 [1,0,0,1,0,0|2,0,0]=4 891 B15R2.18974 O=C(O)C1CC1C2=CC=C(C(=C2)Br)F MCULE-2191481452 [1,0,0,1,0,0|2,0,0]=4 892 B15R2.18974 O=C(O)C1CC1C2=CC=C(C(=C2)F)Br MCULE-9319317147 [1,0,0,1,0,0|2,0,0]=4 893 B15R2.18974 O=C(O)[C@@H]1CC1C2=CC(=C(C=C2)F)F MCULE-4126334982 [1,0,0,1,0,0|2,0,0]=4 894 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl MCULE-6260642860 [1,0,0,1,0,0|2,0,0]=4 895 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)F MCULE-4451530521 [1,0,0,1,0,0|2,0,0]=4 896 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F MCULE-3569053231 [1,0,0,1,0,0|2,0,0]=4 897 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C(=C2)F)Cl MCULE-3703987975 [1,0,0,1,0,0|2,0,0]=4 898 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C(=C2)F)F MCULE-2991731257 [1,0,0,1,0,0|2,0,0]=4 899 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C(=C2)F)F MCULE-5516409251 [1,0,0,1,0,0|2,0,0]=4 900 B15R2.18974 O=C(O)[C@H]1C[C@@H]1C2=CC=C(C(=C2)Cl)Cl MCULE-4775657020 [1,0,0,1,0,0|2,0,0]=4 901 B15R2.18974 O=C(O)[C@H]1C[C@@H]1C2=CC=C(C(=C2)F)F MCULE-3873561109 [1,0,0,1,0,0|2,0,0]=4 902 B15R2.62227 CC1=CC2=CC(=C(C=C2OC1=O)O)O MCULE-9639451464 [1,0,0,1,0,0|0,0,2]=4 903 B15R2.62227 NC1CC2=C(C=C(C(=C2)O)O)OC1=O MCULE-4143419133 [1,0,0,1,0,0|1,0,0]=3 904 B15R2.62227 N[C@H]1CC2=C(C=C(C(=C2)O)O)OC1=O MCULE-9213968469 [1,0,0,1,0,0|1,0,0]=3 905 B15R2.62227 N[C@H]1CC2=C(C=C(C(=C2)O)O)OC1=O MCULE-9679632698 [1,0,0,1,0,0|1,0,0]=3 906 B15R2.62227 [NH3+]C1CC2=CC(=C(C=C2OC1=O)O)O MCULE-7086909276 [1,0,0,1,0,0|1,0,0]=3 907 B15R2.4343 CC(=CC1=CC2=C(C=C1)OCO2)C=O MCULE-7078314229 [1,0,0,1,0,0|0,0,2]=4 908 B15R2.4343 CC(C=O)CC1=CC2=C(C=C1)OCO2 MCULE-3424309643 [1,0,0,1,0,0|0,0,0]=2 909 B15R2.4343 CC(CN)CC1=CC2=C(C=C1)OCO2 MCULE-1907783369 [1,0,0,1,0,0|1,0,1]=4 910 B15R2.4343 CC(CN)CC1=CC2=C(C=C1)OCO2 MCULE-5704488771 [1,0,0,1,0,0|1,0,1]=4 911 B15R2.4343 CC(CO)CC1=CC2=C(C=C1)OCC2 MCULE-8630575157 [1,0,0,1,0,0|1,0,1]=4 912 B15R2.4343 CNC(C)CC1=CC2=C(C=C1)OCO2 MCULE-3137396971 [1,0,0,1,0,0|2,0,0]=4 913 B15R2.4343 CNC(C)CC1=CC2=C(C=C1)OCO2 MCULE-7814654982 [1,0,0,1,0,0|2,0,0]=4 914 B15R2.4343 OCC(O)CC1=CC=C2OCOC2=C1 MCULE-1341874849 [1,0,0,1,0,0|1,0,1]=4 915 B15R2.4239 CC(C(=O)O)C1=CC2=C(C=C1)OCO2 MCULE-6496590237 [0,0,0,1,1,0|0,0,0]=2 916 B15R2.4239 C[C@H](C(=O)O)C1=CC=C2OCOC2=C1 MCULE-5394654750 [0,0,0,1,1,0|0,0,0]=2 917 B15R2.4239 NC(=O)C(Cl)C1=CC=C2OCOC2=C1 MCULE-1519644938 [0,0,0,1,1,0|2,0,0]=4 918 B15R2.4239 NC(C(=O)O)C1=CC2=C(C=C1)OCO2 MCULE-9890249926 [0,0,0,1,1,0|1,0,0]=3 919 B15R2.4239 O=C(O)C(=O)C1=CC2=C(C=C1)OCO2 MCULE-6951850102 [0,0,0,1,1,0|1,0,1]=4 920 B15R2.4239 O=C(O)C(O)C1=CC2=C(C=C1)OCO2 MCULE-4039363779 [0,0,0,1,1,0|1,0,0]=3 921 B15R2.4239 O=C(O)C(O)C1=CC=C2OCCC2=C1 MCULE-7983922431 [0,0,0,1,1,0|2,0,0]=4 922 B15R2.39309 COC1=C(C=C2OC(=O)N(C2=C1)C)Br MCULE-2232115356 [0,0,0,1,1,0|2,0,0]=4 923 B17R2.45524 O=C(O)C(O)COC1=CC2=C(C=C1)OCO2 MCULE-1622712990 [0,0,0,1,0,1|1,0,0]=3 924 B17R2.45097 NC(CC(=O)O)CC1=CC=C2CCOC2=C1 MCULE-7626826192 [0,0,0,1,0,1|2,0,0]=4 925 B17R2.45097 NC(CC(=O)O)CC1=CC=C2OCOC2=C1 MCULE-9669826311 [0,0,0,1,0,1|1,0,0]=3 926 B17R2.9167 N[C@@H](CC1=CC=C2OCCOC2=C1)C(=O)O MCULE-5160453405 [0,1,0,1,0,0|1,0,0]=3 927 B17R2.9167 N[C@@H](CC1=CC=C2OCCOC2=C1)C(=O)O MCULE-8934269727 [0,1,0,1,0,0|1,0,0]=3 928 B17R2.87146 COC1=C(C=C(C=C1)C2CC2C(=O)O)OC MCULE-5566944305 [0,1,0,1,0,0|0,0,0]=2 929 B17R2.87146 COC1=CC=C(C=C1OC)C2CC2C(=O)C MCULE-4310538784 [0,1,0,1,0,0|1,0,0]=3 930 B17R2.87146 COC1=CC=C(C=C1OC)C2CC2C(C)O MCULE-3202157356 [0,1,0,1,0,0|1,0,1]=4 931 B17R2.18982 CC(OC1=CC2=C(C=C1)OCO2)C(=O)NN MCULE-2570806978 [0,1,0,1,0,0|2,0,0]=4 932 B17R2.18982 CNC(=O)C(C)OC1=CC=C2OCOC2=C1 MCULE-8350401032 [0,1,0,1,0,0|2,0,0]=4 933 B17R2.18982 COC(=O)C(C)OC1=CC=C2OCOC2=C1 MCULE-6383959867 [0,1,0,1,0,0|1,0,0]=3 934 B17R2.18982 COC(=O)[C@@H](N)CC1=CC=C2OCOC2=C1 MCULE-4904341240 [0,1,0,1,0,0|1,0,0]=3 935 B17R2.18982 COC(=O)[C@H](N)CC1=CC=C2OCOC2=C1 MCULE-3500127064 [0,1,0,1,0,0|1,0,0]=3 936 B17R2.20012 NC(C(=O)O)C(O)C1=CC=C2OCOC2=C1 MCULE-3893068766 [0,1,0,1,0,0|1,0,0]=3 937 B17R2.20012 N[C@@H](C(=O)O)[C@@H](O)C1=CC=C2OCOC2=C1 MCULE-5240149943 [0,1,0,1,0,0|1,0,0]=3 938 B17R2.48517 CCC(CC1=CC2=C(C=C1)OCC2)C(=O)O MCULE-3653535422 [0,1,0,1,0,0|1,0,0]=3 939 B17R2.48517 CCC(OC1=CC=C2OCOC2=C1)C(=O)O MCULE-5810005681 [0,1,0,1,0,0|1,0,0]=3 940 B17R2.4858 CC1=NC2=C(O1)C=CC(=C2)CC(N)C(=O)O MCULE-3488503487 [0,1,0,1,0,0|2,0,0]=4 941 B17R2.299433 CCOC1=C(C=CC(=C1)C2CC2C(=O)O)F MCULE-2447835532 [0,1,0,1,0,0|1,0,0]=3 942 B17R2.299433 CCOC1=C(C=CC(=C1)[C@@H]2C[C@H]2C(=O)O)F MCULE-6494658429 [0,1,0,1,0,0|1,0,0]=3 943 B17R2.299433 CCOC1=CC(=CC=C1F)[C@@H]2C[C@H]2C(=O)O MCULE-8836664784 [0,1,0,1,0,0|1,0,0]=3 944 B17R2.291802 CC(C)(OC1=CC2=C(C=C1)OCO2)C(=O)O MCULE-4746843307 [0,1,0,1,0,0|1,0,0]=3 945 B17R2.291802 CC(C)(OC1=CC2=C(C=C1)OCO2)C(=O)O MCULE-5095583091 [0,1,0,1,0,0|1,0,0]=3 946 B17R3.467945 CC(=O)C1CC1C2=CC=C3OCCC3=C2 MCULE-4377309776 [0,0,0,2,0,0|2,0,0]=4 947 B17R3.467945 O=C(O)C1CC1C2=CC3=C(C=C2)OCC3 MCULE-7155850144 [0,0,0,2,0,0|1,0,0]=3 948 B17R3.467945 O=C(O)C1CC1C2=CC3=C(C=C2)OCO3 MCULE-1786615125 [0,0,0,2,0,0|0,0,0]=2 949 B13R1.642 CC(C(=O)O)C1=CC(=CC=C1)C#N MCULE-5699108500 [1,0,0,0,1,0|2,0,0]=4 950 B13R1.642 COC1=CC(=CC=C1)C(F)C(=O)O MCULE-8132956859 [1,0,0,0,1,0|1,0,0]=3 951 B13R1.642 COC1=CC(=CC=C1)C(N)C(=O)O MCULE-1892104932 [1,0,0,0,1,0|1,0,0]=3 952 B13R1.642 COC1=CC(=CC=C1)C(O)C(=O)O MCULE-9860171241 [1,0,0,0,1,0|1,0,0]=3 953 B13R1.642 COC1=CC(=CC=C1)[C@@H](N)C(=O)O MCULE-7863549202 [1,0,0,0,1,0|1,0,0]=3 954 B13R1.642 COC1=CC(=CC=C1)[C@@H](N)C(=O)O MCULE-9977282241 [1,0,0,0,1,0|1,0,0]=3 955 B13R1.642 COC1=CC(=CC=C1)[C@H](N)C(=O)O MCULE-4617526962 [1,0,0,0,1,0|1,0,0]=3 956 B13R1.642 COC1=CC=CC(=C1)C(=O)C(=O)O MCULE-4193292451 [1,0,0,0,1,0|1,0,1]=4 957 B13R1.642 COC1=CC=CC(=C1)C(C)C(=O)O MCULE-8183038462 [1,0,0,0,1,0|0,0,0]=2 958 B13R1.642 COC1=CC=CC(=C1)C(N)C(=O)N MCULE-8978711969 [1,0,0,0,1,0|2,0,0]=4 959 B13R1.642 COC1=CC=CC(=C1)C(N)C(=O)O MCULE-2230304391 [1,0,0,0,1,0|1,0,0]=3 960 B13R1.642 COC1=NC(=CC=C1)C(C)C(=O)O MCULE-8147502227 [1,0,0,0,1,0|1,0,0]=3 961 B13R1.642 C[C@H](C(=O)O)C1=CC=CC(=C1)CO MCULE-5711898034 [1,0,0,0,1,0|2,0,0]=4 962 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl MCULE-6415509006 [1,0,0,0,1,0|2,0,0]=4 963 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)F)Cl MCULE-8150531879 [1,0,0,0,1,0|2,0,0]=4 964 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)F)F MCULE-8196586223 [1,0,0,0,1,0|2,0,0]=4 965 B13R1.510 CC(C(=O)O)C1=CC=C(C(=C1)Cl)N MCULE-4484940235 [1,0,0,0,1,0|2,0,0]=4 966 B13R1.510 CC1=C(C=C(C=C1)C(N)C(=O)O)O MCULE-9430609638 [1,0,0,0,1,0|2,0,0]=4 967 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl MCULE-4231754258 [1,0,0,0,1,0|2,0,0]=4 968 B13R1.510 CC1=CC(=CC=C1F)C(N)C(=O)O MCULE-3036431431 [1,0,0,0,1,0|2,0,0]=4 969 B13R1.510 CC1=CC=C(C=C1C)C(N)C(=O)O MCULE-8996260493 [1,0,0,0,1,0|2,0,0]=4 970 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)O)O MCULE-3672375900 [1,0,0,0,1,0|1,0,0]=3 971 B13R1.510 N[C@H](C(=O)O)C1=CC=C(C(=C1)Cl)O MCULE-9361411302 [1,0,0,0,1,0|2,0,0]=4 972 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)O)O MCULE-9231535304 [1,0,0,0,1,0|1,0,0]=3 973 B13R1.49 C=C[C@@H](N)C1=CC=C(C(=C1)OC)O MCULE-5718779533 [1,0,0,0,1,0|2,0,0]=4 974 B13R1.49 C=C[C@@H](N)C1=CC=C(C(=C1)OC)O MCULE-7899481294 [1,0,0,0,1,0|2,0,0]=4 975 B13R1.49 C=C[C@H](N)C1=CC=C(C(=C1)OC)O MCULE-2625576237 [1,0,0,0,1,0|2,0,0]=4 976 B13R1.49 C=C[C@H](N)C1=CC=C(C(=C1)OC)O MCULE-6992116547 [1,0,0,0,1,0|2,0,0]=4 977 B13R1.49 COC1=C(C=CC(=C1)[C@@H](N)CO)O MCULE-6638438709 [1,0,0,0,1,0|1,0,1]=4 978 B13R1.49 COC1=C(C=CC(=C1)[C@H](N)CO)O MCULE-3742883994 [1,0,0,0,1,0|1,0,1]=4 979 B13R1.49 COC1=CC(=CC=C1O)[C@@H](N)CO MCULE-7335914004 [1,0,0,0,1,0|1,0,1]=4 980 B13R1.49 COC1=CC(=CC=C1O)[C@H](N)CO MCULE-6794008513 [1,0,0,0,1,0|1,0,1]=4 981 B15R1.4030 COC1=C(C=CC(=C1)CCCC(=O)O)F MCULE-3845228299 [1,0,0,0,0,1|1,0,0]=3 982 B15R1.4030 COC1=C(C=CC(=C1)NCCC(=O)O)Cl MCULE-6955585842 [1,0,0,0,0,1|1,0,0]=3 983 B15R1.1570 COC1=CC(=CC=C1)CCC(N)C(=O)O MCULE-1061657922 [1,0,0,0,0,1|1,0,0]=3 984 B15R1.1570 COC1=CC(=CC=C1)CC[C@H](N)C(=O)O MCULE-4459168764 [1,0,0,0,0,1|1,0,0]=3 985 B15R1.1570 COC1=CC(=CC=C1)COC(C)C(=O)O MCULE-2192923809 [1,0,0,0,0,1|0,0,0]=2 986 B15R1.1570 COC1=CC=CC(=C1)CC[C@@H](N)C(=O)O MCULE-9399033198 [1,0,0,0,0,1|1,0,0]=3 987 B15R1.1570 COC1=CC=CC(=C1)CC[C@H](N)C(=O)O MCULE-3015832547 [1,0,0,0,0,1|1,0,0]=3 988 B15R1.1624 COC1=CC(=CC=C1)CC(C)CC(=O)O MCULE-2158837599 [1,0,0,0,0,1|0,0,0]=2 989 B15R1.1624 COC1=CC(=CC=C1)CC(N)CC(=O)O MCULE-4620825892 [1,0,0,0,0,1|1,0,0]=3 990 B15R1.1624 COC1=CC=CC(=C1)CC(=O)CC(=O)O MCULE-8372761097 [1,0,0,0,0,1|1,0,1]=4 991 B15R1.1624 COC1=CC=CC(=C1)CN(C)CC(=O)O MCULE-1393007159 [1,0,0,0,0,1|1,0,0]=3 992 B15R1.1624 CSC1=CC=CC(=C1)CN(C)CC(=O)O MCULE-4063604322 [1,0,0,0,0,1|1,1,0]=4 993 B15R1.883 CC1=CC=C(C=C1C)CC(N)CC(=O)O MCULE-1679220241 [1,0,0,0,0,1|2,0,0]=4 994 B15R1.4059 COC1=C(C=CC(=C1)C)CC(N)C(=O)O MCULE-2172316168 [0,0,0,0,1,1|2,0,0]=4 995 B15R1.4059 COC1=C(C=CC(=C1)C)OC(C)C(=O)O MCULE-9987619503 [0,0,0,0,1,1|2,0,0]=4 996 B15R1.4059 COC1=C(C=CC(=C1)F)CC(N)C(=O)O MCULE-7679963799 [0,0,0,0,1,1|2,0,0]=4 997 B15R1.4059 COC1=CC(=CC=C1CC(N)C(=O)O)F MCULE-4135885224 [0,0,0,0,1,1|2,0,0]=4 998 B15R1.4059 COC1=CC(=CC=C1OC(C)C(=O)O)F MCULE-5495951345 [0,0,0,0,1,1|2,0,0]=4 999 B15R1.5018 COC1=C(C=CC=C1CC(N)C(=O)O)F MCULE-8462994252 [0,0,0,0,1,1|2,0,0]=4 1000 B15R1.5018 COC1=C(C=CC=C1F)CC(C)C(=O)O MCULE-2830933799 [0,0,0,0,1,1|1,0,0]=3