0 B15R1.890 NC(C(=O)O)C(O)C1=CC=C(C(=C1)O)O MCULE-2196760309 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.890 N[C@@H](C(=O)O)[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-6927631657 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.890 N[C@@H](C(=O)O)[C@H](O)C1=CC=C(C(=C1)Cl)O MCULE-3894027171 [0,0,0,0,0,0|1,0,0]=1 3 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(=C(C=C1)O)O MCULE-2260723124 [0,0,0,0,0,0|0,0,0]=0 4 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(=C(C=C1)O)O MCULE-5172677574 [0,0,0,0,0,0|0,0,0]=0 5 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC=C(C(=C1)Cl)O MCULE-5832005568 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.132 CC(C(=O)O)C(C)C1=CC=C(C=C1)F MCULE-5595206749 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Br MCULE-8207953282 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Br MCULE-9356450624 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Cl MCULE-2249037524 [1,0,0,0,0,0|3,0,0]=4 10 B14R1.132 CC(C1=CC=C(C=C1)O)C(N)C(=O)O MCULE-6259455399 [1,0,0,0,0,0|1,0,0]=2 11 B14R1.132 CC(C1=CC=C(C=C1)O)C(N)C(=O)O MCULE-8474638573 [1,0,0,0,0,0|1,0,0]=2 12 B14R1.132 CC1=CC=C(C=C1)C(C)C(O)C(=O)O MCULE-3645039704 [1,0,0,0,0,0|3,0,0]=4 13 B14R1.132 CC1=CC=C(C=C1)C(N)C(O)C(=O)O MCULE-8086249372 [1,0,0,0,0,0|3,0,0]=4 14 B14R1.132 CC1=CC=C(C=C1)C(O)C(C)C(=O)O MCULE-3320701404 [1,0,0,0,0,0|2,0,0]=3 15 B14R1.132 CC1=CC=C(C=C1)[C@@H](N)[C@@H](O)C(=O)O MCULE-1489001694 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.132 CC1=CC=C(C=C1)[C@H](N)[C@H](O)C(=O)O MCULE-4257660990 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.132 C[C@@H](C1=CC=C(C=C1)O)[C@@H](N)C(=O)O MCULE-4164369820 [1,0,0,0,0,0|1,0,0]=2 18 B14R1.132 C[C@@H](C1=CC=C(C=C1)O)[C@@H](N)C(=O)O MCULE-9153572827 [1,0,0,0,0,0|1,0,0]=2 19 B14R1.132 C[C@@H](C1=CC=C(C=C1)O)[C@H](N)C(=O)O MCULE-1338232690 [1,0,0,0,0,0|1,0,0]=2 20 B14R1.132 C[C@@H](C1=CC=C(C=C1)O)[C@H](N)C(=O)O MCULE-2704583999 [1,0,0,0,0,0|1,0,0]=2 21 B14R1.132 C[C@H](C1=CC=C(C=C1)O)[C@@H](N)C(=O)O MCULE-3516148226 [1,0,0,0,0,0|1,0,0]=2 22 B14R1.132 C[C@H](C1=CC=C(C=C1)O)[C@@H](N)C(=O)O MCULE-5568245506 [1,0,0,0,0,0|1,0,0]=2 23 B14R1.132 C[C@H](C1=CC=C(C=C1)O)[C@H](N)C(=O)O MCULE-4556854678 [1,0,0,0,0,0|1,0,0]=2 24 B14R1.132 C[C@H](C1=CC=C(C=C1)O)[C@H](N)C(=O)O MCULE-7902457386 [1,0,0,0,0,0|1,0,0]=2 25 B14R1.132 NC(C1=CC=C(C=C1)F)C(O)C(=O)O MCULE-9502027591 [1,0,0,0,0,0|3,0,0]=4 26 B14R1.132 N[C@@H](C1=CC=C(C=C1)F)[C@H](O)C(=O)O MCULE-9946682486 [1,0,0,0,0,0|3,0,0]=4 27 B14R1.132 N[C@H](C(=O)O)[C@H](O)C1=CC=C(C=C1)O MCULE-7692262067 [1,0,0,0,0,0|0,0,0]=1 28 B14R1.132 N[C@H](C1=CC=C(C=C1)F)[C@@H](O)C(=O)O MCULE-4222545875 [1,0,0,0,0,0|3,0,0]=4 29 B14R1.132 O=C(O)C(=O)C(O)C1=CC=C(C=C1)O MCULE-1954387232 [1,0,0,0,0,0|1,0,1]=3 30 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(C=C1)Cl MCULE-7064644960 [1,0,0,0,0,0|3,0,0]=4 31 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(C=C1)F MCULE-6848465312 [1,0,0,0,0,0|3,0,0]=4 32 B14R1.132 O=C(O)C(O)C(O)C1=CC=C(C=C1)O MCULE-6635032478 [1,0,0,0,0,0|1,0,0]=2 33 B14R1.150 CC1=CC(=CC=C1)C(N)C(O)C(=O)O MCULE-9299107482 [1,0,0,0,0,0|3,0,0]=4 34 B14R1.150 CC1=CC(=CC=C1)[C@@H](N)[C@@H](O)C(=O)O MCULE-7539661595 [1,0,0,0,0,0|3,0,0]=4 35 B14R1.150 CC1=CC(=CC=C1)[C@H](N)[C@H](O)C(=O)O MCULE-4989305775 [1,0,0,0,0,0|3,0,0]=4 36 B14R1.150 NC(C1=CC=CC(=C1)F)C(O)C(=O)O MCULE-2892078694 [1,0,0,0,0,0|3,0,0]=4 37 B14R1.150 N[C@@H](C1=CC=CC(=C1)F)[C@H](O)C(=O)O MCULE-8357830905 [1,0,0,0,0,0|3,0,0]=4 38 B14R1.150 N[C@H](C1=CC=CC(=C1)F)[C@@H](O)C(=O)O MCULE-1386593115 [1,0,0,0,0,0|3,0,0]=4 39 B14R1.685 C=C(C)C[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-8456836820 [1,0,0,0,0,0|3,0,0]=4 40 B14R1.685 C=C(C)C[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-9913032697 [1,0,0,0,0,0|3,0,0]=4 41 B14R1.685 C=C(C)C[C@H](N)C1=CC=C(C(=C1)O)O MCULE-5783232778 [1,0,0,0,0,0|3,0,0]=4 42 B14R1.685 C=C(C)C[C@H](N)C1=CC=C(C(=C1)O)O MCULE-6269934093 [1,0,0,0,0,0|3,0,0]=4 43 B14R1.685 CC(CC(=O)O)C1=CC(=C(C=C1)F)Br MCULE-6731789737 [1,0,0,0,0,0|3,0,0]=4 44 B14R1.685 CC(CC(=O)O)C1=CC(=C(C=C1)F)F MCULE-5191925703 [1,0,0,0,0,0|3,0,0]=4 45 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)C MCULE-3075072518 [1,0,0,0,0,0|3,0,0]=4 46 B14R1.685 CC1=C(C=C(C=C1)C(N)CC(=O)O)C MCULE-3627468510 [1,0,0,0,0,0|3,0,0]=4 47 B14R1.685 CC1=C(C=C(C=C1)C(N)CC(=O)O)C MCULE-5730650626 [1,0,0,0,0,0|3,0,0]=4 48 B14R1.685 CC1=C(C=C(C=C1)C(N)CC(=O)O)C MCULE-7244344096 [1,0,0,0,0,0|3,0,0]=4 49 B14R1.685 CC1=C(C=CC(=C1)C(C)CC(=O)O)F MCULE-3893747443 [1,0,0,0,0,0|3,0,0]=4 50 B14R1.685 CC1=CC=C(C=C1C)C(N)CC(=O)O MCULE-3559463111 [1,0,0,0,0,0|3,0,0]=4 51 B14R1.685 CC1=CC=C(C=C1C)[C@H](N)CC(=O)O MCULE-1585011194 [1,0,0,0,0,0|3,0,0]=4 52 B14R1.685 CC1=CC=C(C=C1C)[C@H](N)CC(=O)O MCULE-3067637460 [1,0,0,0,0,0|3,0,0]=4 53 B14R1.685 CC1=CC=C(C=C1C)[C@H](N)CC(=O)O MCULE-8091124430 [1,0,0,0,0,0|3,0,0]=4 54 B14R1.685 CC1=CC=C(C=C1C)[C@H](N)CC(=O)O MCULE-9509486588 [1,0,0,0,0,0|3,0,0]=4 55 B14R1.685 CC1=CC=C(C=C1F)C(N)CC(=O)O MCULE-4219900739 [1,0,0,0,0,0|3,0,0]=4 56 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl MCULE-4008073985 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl MCULE-5863470522 [1,0,0,0,0,0|3,0,0]=4 58 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl MCULE-9969089040 [1,0,0,0,0,0|3,0,0]=4 59 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)F)Cl MCULE-7733375262 [1,0,0,0,0,0|3,0,0]=4 60 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)O)F MCULE-9375455284 [1,0,0,0,0,0|2,0,0]=3 61 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)O)O MCULE-9101817162 [1,0,0,0,0,0|1,0,0]=2 62 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)Br)F MCULE-3620079983 [1,0,0,0,0,0|3,0,0]=4 63 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)Br)O MCULE-8348396513 [1,0,0,0,0,0|2,0,0]=3 64 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)Cl)Cl MCULE-7471386964 [1,0,0,0,0,0|3,0,0]=4 65 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)F)Br MCULE-4304048995 [1,0,0,0,0,0|3,0,0]=4 66 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)F)Br MCULE-6617565377 [1,0,0,0,0,0|3,0,0]=4 67 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)F)F MCULE-2061577739 [1,0,0,0,0,0|3,0,0]=4 68 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)F)F MCULE-3564647536 [1,0,0,0,0,0|3,0,0]=4 69 B14R1.685 NC(CC(=O)O)C1=CC=C(C(=C1)F)O MCULE-6567660688 [1,0,0,0,0,0|2,0,0]=3 70 B14R1.685 N[C@@H](CC(=O)O)C1=CC(=C(C=C1)Cl)Cl MCULE-2561569564 [1,0,0,0,0,0|3,0,0]=4 71 B14R1.685 N[C@@H](CC(=O)O)C1=CC(=C(C=C1)Cl)Cl MCULE-3754418076 [1,0,0,0,0,0|3,0,0]=4 72 B14R1.685 N[C@@H](CC(=O)O)C1=CC=C(C(=C1)F)F MCULE-1836012618 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.685 N[C@@H](CC(=O)O)C1=CC=C(C(=C1)F)F MCULE-2102518281 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.685 N[C@@H](CC(=O)O)C1=CC=C(C(=C1)F)F MCULE-6845732565 [1,0,0,0,0,0|3,0,0]=4 75 B14R1.685 N[C@H](CC(=O)O)C1=CC(=C(C=C1)Cl)Cl MCULE-9928618976 [1,0,0,0,0,0|3,0,0]=4 76 B14R1.685 N[C@H](CC(=O)O)C1=CC(=C(C=C1)F)F MCULE-3919975063 [1,0,0,0,0,0|3,0,0]=4 77 B14R1.685 N[C@H](CC(=O)O)C1=CC=C(C(=C1)Cl)Cl MCULE-2184659854 [1,0,0,0,0,0|3,0,0]=4 78 B14R1.685 N[C@H](CC(=O)O)C1=CC=C(C(=C1)Cl)Cl MCULE-3124236631 [1,0,0,0,0,0|3,0,0]=4 79 B14R1.685 N[C@H](CC(=O)O)C1=CC=C(C(=C1)Cl)Cl MCULE-5895623767 [1,0,0,0,0,0|3,0,0]=4 80 B14R1.685 N[C@H](CC(=O)O)C1=CC=C(C(=C1)F)F MCULE-9189799173 [1,0,0,0,0,0|3,0,0]=4 81 B14R1.686 C(N)(CC1=CC(=C(C=C1)O)I)C(=O)O MCULE-7084802066 [1,0,0,0,0,0|1,0,0]=2 82 B14R1.686 C(N)(CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-6953076060 [1,0,0,0,0,0|1,0,1]=3 83 B14R1.686 CC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-6725921355 [1,0,0,0,0,0|3,0,0]=4 84 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O MCULE-3047358340 [1,0,0,0,0,0|3,0,0]=4 85 B14R1.686 CC(CC1=CC(=C(C=C1)O)F)C(=O)O MCULE-6959946695 [1,0,0,0,0,0|2,0,0]=3 86 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-2053486794 [1,0,0,0,0,0|1,0,0]=2 87 B14R1.686 CC(CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-4053843521 [1,0,0,0,0,0|3,0,0]=4 88 B14R1.686 CC1=C(C=C(C=C1)CC(C)C(=O)O)C MCULE-8631606062 [1,0,0,0,0,0|3,0,0]=4 89 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 90 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 91 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C MCULE-4221203832 [1,0,0,0,0,0|3,0,0]=4 92 B14R1.686 CC1=C(C=CC(=C1)CC(C)C(=O)O)F MCULE-4616134999 [1,0,0,0,0,0|3,0,0]=4 93 B14R1.686 CC1=CC(=CC=C1F)CC(N)C(=O)O MCULE-9969422282 [1,0,0,0,0,0|2,0,0]=3 94 B14R1.686 CC1=CC(=CC=C1O)CC(C)C(=O)O MCULE-4345156007 [1,0,0,0,0,0|2,0,0]=3 95 B14R1.686 CC1=CC(=CC=C1O)CC(N)C(=O)O MCULE-7114179615 [1,0,0,0,0,0|1,0,0]=2 96 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 97 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 98 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 99 B14R1.686 CC1=CC=C(C=C1F)CC(C)C(=O)O MCULE-3294121728 [1,0,0,0,0,0|3,0,0]=4 100 B14R1.686 CC1=CC=C(C=C1F)CC(N)C(=O)O MCULE-7233171438 [1,0,0,0,0,0|2,0,0]=3 101 B14R1.686 CC1=CC=C(C=C1N)CC(C)C(=O)O MCULE-8573761389 [1,0,0,0,0,0|3,0,0]=4 102 B14R1.686 NC(=O)C(N)CC1=CC=C(C(=C1)O)O MCULE-2648430513 [1,0,0,0,0,0|1,0,0]=2 103 B14R1.686 NC(=O)C(N)CC1=CC=C(C(=C1)O)O MCULE-4964600533 [1,0,0,0,0,0|1,0,0]=2 104 B14R1.686 NC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)O MCULE-2150001812 [1,0,0,0,0,0|1,0,0]=2 105 B14R1.686 NC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-1018551198 [1,0,0,0,0,0|1,0,0]=2 106 B14R1.686 NC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-5047112016 [1,0,0,0,0,0|1,0,0]=2 107 B14R1.686 NC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-5589713302 [1,0,0,0,0,0|1,0,0]=2 108 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-8087658877 [1,0,0,0,0,0|2,0,0]=3 109 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O MCULE-7264527288 [1,0,0,0,0,0|2,0,0]=3 110 B14R1.686 NC(CC1=CC(=C(C=C1)F)F)C(=O)O MCULE-6760740668 [1,0,0,0,0,0|2,0,0]=3 111 B14R1.686 NC(CC1=CC(=C(C=C1)F)F)C(=O)O MCULE-6967691364 [1,0,0,0,0,0|2,0,0]=3 112 B14R1.686 NC(CC1=CC(=C(C=C1)O)Br)C(=O)O MCULE-3374977523 [1,0,0,0,0,0|1,0,0]=2 113 B14R1.686 NC(CC1=CC(=C(C=C1)O)Br)C(=O)O MCULE-6181724347 [1,0,0,0,0,0|1,0,0]=2 114 B14R1.686 NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-2697786754 [1,0,0,0,0,0|1,0,0]=2 115 B14R1.686 NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-5698335509 [1,0,0,0,0,0|1,0,0]=2 116 B14R1.686 NC(CC1=CC=C(C(=C1)F)Cl)C(=O)O MCULE-5096730112 [1,0,0,0,0,0|2,0,0]=3 117 B14R1.686 NC(CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-6834620182 [1,0,0,0,0,0|1,0,0]=2 118 B14R1.686 NC(CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-9537492620 [1,0,0,0,0,0|1,0,0]=2 119 B14R1.686 NC(CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-1976200660 [1,0,0,0,0,0|1,0,0]=2 120 B14R1.686 NC(CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-7333560025 [1,0,0,0,0,0|1,0,0]=2 121 B14R1.686 NC(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-6834245595 [1,0,0,0,0,0|0,0,0]=1 122 B14R1.686 NC(CC1=CC=C(C(=C1)O)O)C(=O)[O-] MCULE-9471283867 [1,0,0,0,0,0|0,0,1]=2 123 B14R1.686 NC(CC1=CC=C(C(=C1)O)O)C(F)F MCULE-1281539860 [1,0,0,0,0,0|2,0,1]=4 124 B14R1.686 NC1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-2557670465 [1,0,0,0,0,0|1,0,0]=2 125 B14R1.686 NC1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-5549889238 [1,0,0,0,0,0|1,0,0]=2 126 B14R1.686 NC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-3775294936 [1,0,0,0,0,0|1,0,0]=2 127 B14R1.686 NC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-6839040671 [1,0,0,0,0,0|1,0,0]=2 128 B14R1.686 NC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-9607907699 [1,0,0,0,0,0|1,0,0]=2 129 B14R1.686 NC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-9600560994 [1,0,0,0,0,0|1,0,0]=2 130 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-1204635145 [1,0,0,0,0,0|2,0,0]=3 131 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)O MCULE-9674100333 [1,0,0,0,0,0|2,0,0]=3 132 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-1164805788 [1,0,0,0,0,0|1,0,0]=2 133 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-6365431286 [1,0,0,0,0,0|1,0,0]=2 134 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)F)C(=O)O MCULE-2345671151 [1,0,0,0,0,0|1,0,0]=2 135 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O MCULE-4703706022 [1,0,0,0,0,0|1,0,0]=2 136 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-7571765742 [1,0,0,0,0,0|0,0,0]=1 137 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Br)F)C(=O)O MCULE-3066216517 [1,0,0,0,0,0|2,0,0]=3 138 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Cl)Cl)C(=O)O MCULE-8168956702 [1,0,0,0,0,0|2,0,0]=3 139 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-9200119733 [1,0,0,0,0,0|2,0,0]=3 140 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-1794626616 [1,0,0,0,0,0|1,0,0]=2 141 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-7896954993 [1,0,0,0,0,0|1,0,0]=2 142 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-8926188460 [1,0,0,0,0,0|1,0,0]=2 143 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)I)O)C(=O)O MCULE-7914019816 [1,0,0,0,0,0|1,0,0]=2 144 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-2715592533 [1,0,0,0,0,0|1,0,0]=2 145 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-3218547043 [1,0,0,0,0,0|1,0,0]=2 146 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-3340290734 [1,0,0,0,0,0|1,0,0]=2 147 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)F)C(=O)O MCULE-6453108778 [1,0,0,0,0,0|1,0,0]=2 148 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-4743781842 [1,0,0,0,0,0|0,0,0]=1 149 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-8112075430 [1,0,0,0,0,0|0,0,0]=1 150 B14R1.686 N[C@@H](CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-2538604003 [1,0,0,0,0,0|1,0,1]=3 151 B14R1.686 N[C@@H](CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-5494372638 [1,0,0,0,0,0|1,0,1]=3 152 B14R1.686 N[C@H](CC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-6868231956 [1,0,0,0,0,0|2,0,0]=3 153 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-1399466309 [1,0,0,0,0,0|1,0,0]=2 154 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O MCULE-1686922215 [1,0,0,0,0,0|1,0,0]=2 155 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)F)C(=O)O MCULE-2789104977 [1,0,0,0,0,0|1,0,0]=2 156 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O MCULE-3946263529 [1,0,0,0,0,0|0,0,0]=1 157 B14R1.686 N[C@H](CC1=CC=C(C(=C1)Br)O)C(=O)O MCULE-3413267848 [1,0,0,0,0,0|1,0,0]=2 158 B14R1.686 N[C@H](CC1=CC=C(C(=C1)Br)O)C(=O)O MCULE-9740236562 [1,0,0,0,0,0|1,0,0]=2 159 B14R1.686 N[C@H](CC1=CC=C(C(=C1)Cl)Cl)C(=O)O MCULE-1947805662 [1,0,0,0,0,0|2,0,0]=3 160 B14R1.686 N[C@H](CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-4871068130 [1,0,0,0,0,0|2,0,0]=3 161 B14R1.686 N[C@H](CC1=CC=C(C(=C1)F)F)C(=O)O MCULE-8950844474 [1,0,0,0,0,0|2,0,0]=3 162 B14R1.686 N[C@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-8414400766 [1,0,0,0,0,0|1,0,0]=2 163 B14R1.686 N[C@H](CC1=CC=C(C(=C1)I)O)C(=O)O MCULE-3992386719 [1,0,0,0,0,0|1,0,0]=2 164 B14R1.686 N[C@H](CC1=CC=C(C(=C1)I)O)C(=O)O MCULE-7020255208 [1,0,0,0,0,0|1,0,0]=2 165 B14R1.686 N[C@H](CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-2909167188 [1,0,0,0,0,0|0,0,0]=1 166 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]=3 167 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]=4 168 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]=2 169 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]=2 170 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]=2 171 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]=3 172 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]=3 173 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]=3 174 B14R1.686 [C@@H](N)(CN1C=CC(=O)C(=C1)O)C(=O)O MCULE-2886907026 [1,0,0,0,0,0|1,0,1]=3 175 B14R1.686 [C@H](N)(CC1=CC(=C(C=C1)O)Br)C(=O)O MCULE-3725297150 [1,0,0,0,0,0|1,0,0]=2 176 B14R1.686 [C@H](N)(CC1=CC(=C(C=C1)O)N)C(=O)O MCULE-4265042292 [1,0,0,0,0,0|1,0,0]=2 177 B14R1.686 [C@H](N)(CC1=CC=C(C(=C1)Br)O)C(=O)O MCULE-8641777132 [1,0,0,0,0,0|1,0,0]=2 178 B14R1.1003 CCC(N)C(O)C1=CC=C(C(=C1)O)O MCULE-4672454644 [1,0,0,0,0,0|1,0,1]=3 179 B14R1.1003 CCC(N)C(O)C1=CC=C(C(=C1)O)O MCULE-6485826497 [1,0,0,0,0,0|1,0,1]=3 180 B16R2.167810 CC1=C(C=C(C=C1)C2CC2(N)C(=O)O)C MCULE-2483103027 [0,0,0,1,0,0|3,0,0]=4 181 B16R2.167810 NC1(CC1C2=CC(=C(C=C2)Cl)Cl)C(=O)O MCULE-6144709824 [0,0,0,1,0,0|3,0,0]=4 182 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl MCULE-7920314353 [2,0,0,0,0,0|1,0,1]=4 183 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl MCULE-9046793572 [2,0,0,0,0,0|1,0,1]=4 184 B13R1.21 NC1=CC=C(C=C1)C(O)C(N)CO MCULE-4736589093 [2,0,0,0,0,0|1,0,1]=4 185 B13R1.21 NC1=CC=C(C=C1)[C@H](O)[C@@H](N)CO MCULE-2696898208 [2,0,0,0,0,0|1,0,1]=4 186 B13R1.21 NC1=CC=C(C=C1)[C@H](O)[C@@H](N)CO MCULE-9654572391 [2,0,0,0,0,0|1,0,1]=4 187 B13R1.21 NC1=CC=C(C=C1)[C@H](O)[C@@H](N)CO MCULE-9669913435 [2,0,0,0,0,0|1,0,1]=4 188 B13R1.21 N[C@@H](CO)[C@H](O)C1=CC=C(C=C1)Br MCULE-2686148018 [2,0,0,0,0,0|1,0,1]=4 189 B13R1.21 N[C@H](CO)[C@H](O)C1=CC=C(C=C1)Br MCULE-1514888362 [2,0,0,0,0,0|1,0,1]=4 190 B13R1.21 N[C@H](CO)[C@H](O)C1=CC=C(C=C1)Br MCULE-1753615037 [2,0,0,0,0,0|1,0,1]=4 191 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-2016098947 [2,0,0,0,0,0|2,0,0]=4 192 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-2722710140 [2,0,0,0,0,0|2,0,0]=4 193 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F MCULE-7127297434 [2,0,0,0,0,0|2,0,0]=4 194 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N MCULE-1218406621 [2,0,0,0,0,0|2,0,0]=4 195 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O MCULE-7578972799 [2,0,0,0,0,0|1,0,0]=3 196 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O MCULE-8428341971 [2,0,0,0,0,0|2,0,0]=4 197 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O MCULE-9173736504 [2,0,0,0,0,0|2,0,0]=4 198 B13R1.132 CC1=CC=C(C=C1)C(O)CC(=O)O MCULE-4624408830 [2,0,0,0,0,0|1,0,0]=3 199 B13R1.132 CC1=CC=C(C=C1)[C@@H](N)CC(=O)O MCULE-5031145088 [2,0,0,0,0,0|2,0,0]=4 200 B13R1.132 CC1=CC=C(C=C1)[C@@H](N)CC(=O)O MCULE-7474694854 [2,0,0,0,0,0|2,0,0]=4 201 B13R1.132 CC1=CC=C(C=C1)[C@H](N)CC(=O)O MCULE-4625661458 [2,0,0,0,0,0|2,0,0]=4 202 B13R1.132 CC1=CC=C(C=C1)[C@H](N)CC(=O)O MCULE-5235266278 [2,0,0,0,0,0|2,0,0]=4 203 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-9711949511 [2,0,0,0,0,0|2,0,0]=4 204 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-7731951555 [2,0,0,0,0,0|2,0,0]=4 205 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-2562479227 [2,0,0,0,0,0|2,0,0]=4 206 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-3145404080 [2,0,0,0,0,0|2,0,0]=4 207 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-4957228775 [2,0,0,0,0,0|2,0,0]=4 208 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br MCULE-6667254725 [2,0,0,0,0,0|2,0,0]=4 209 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-3615570804 [2,0,0,0,0,0|2,0,0]=4 210 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-4520940339 [2,0,0,0,0,0|2,0,0]=4 211 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl MCULE-9553001923 [2,0,0,0,0,0|2,0,0]=4 212 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F MCULE-4157411281 [2,0,0,0,0,0|2,0,0]=4 213 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F MCULE-8698893976 [2,0,0,0,0,0|2,0,0]=4 214 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O MCULE-8022047792 [2,0,0,0,0,0|1,0,0]=3 215 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-3280690304 [2,0,0,0,0,0|2,0,0]=4 216 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-4585504777 [2,0,0,0,0,0|2,0,0]=4 217 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-6903403380 [2,0,0,0,0,0|2,0,0]=4 218 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-7166549699 [2,0,0,0,0,0|2,0,0]=4 219 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-4628099540 [2,0,0,0,0,0|2,0,0]=4 220 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-5508958389 [2,0,0,0,0,0|2,0,0]=4 221 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-7286983486 [2,0,0,0,0,0|2,0,0]=4 222 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-7838291156 [2,0,0,0,0,0|2,0,0]=4 223 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-1061728753 [2,0,0,0,0,0|2,0,0]=4 224 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-6327368529 [2,0,0,0,0,0|2,0,0]=4 225 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-6947859998 [2,0,0,0,0,0|2,0,0]=4 226 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-7945509136 [2,0,0,0,0,0|2,0,0]=4 227 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-2907878626 [2,0,0,0,0,0|1,0,0]=3 228 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-6136594346 [2,0,0,0,0,0|1,0,0]=3 229 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-8247287459 [2,0,0,0,0,0|1,0,0]=3 230 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-2112390316 [2,0,0,0,0,0|2,0,0]=4 231 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-2269294845 [2,0,0,0,0,0|2,0,0]=4 232 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-6481937572 [2,0,0,0,0,0|2,0,0]=4 233 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Br MCULE-8905067487 [2,0,0,0,0,0|2,0,0]=4 234 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-2038848679 [2,0,0,0,0,0|2,0,0]=4 235 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)Cl MCULE-4123634292 [2,0,0,0,0,0|2,0,0]=4 236 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-2375735241 [2,0,0,0,0,0|2,0,0]=4 237 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)F MCULE-5721879123 [2,0,0,0,0,0|2,0,0]=4 238 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-4604116690 [2,0,0,0,0,0|1,0,0]=3 239 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(C=C1)O MCULE-7232618432 [2,0,0,0,0,0|1,0,0]=3 240 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O MCULE-4533243268 [2,0,0,0,0,0|0,0,2]=4 241 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl MCULE-2786363573 [2,0,0,0,0,0|1,0,0]=3 242 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F MCULE-7115171473 [2,0,0,0,0,0|1,0,0]=3 243 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)O MCULE-7634229278 [2,0,0,0,0,0|0,0,0]=2 244 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-6683812666 [2,0,0,0,0,0|2,0,0]=4 245 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-1280505558 [2,0,0,0,0,0|2,0,0]=4 246 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O MCULE-5939301963 [2,0,0,0,0,0|2,0,0]=4 247 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O MCULE-5845815463 [2,0,0,0,0,0|2,0,0]=4 248 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O MCULE-2516510846 [2,0,0,0,0,0|1,0,0]=3 249 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)O MCULE-3910586263 [2,0,0,0,0,0|2,0,0]=4 250 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)O MCULE-8109698642 [2,0,0,0,0,0|2,0,0]=4 251 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O MCULE-4590037722 [2,0,0,0,0,0|2,0,0]=4 252 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O MCULE-5938013882 [2,0,0,0,0,0|1,0,0]=3 253 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O MCULE-5941415626 [2,0,0,0,0,0|1,0,0]=3 254 B13R1.133 CC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-4074563438 [2,0,0,0,0,0|1,0,0]=3 255 B13R1.133 CC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-6283014667 [2,0,0,0,0,0|1,0,0]=3 256 B13R1.133 CC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-4426041269 [2,0,0,0,0,0|1,0,0]=3 257 B13R1.133 CC1=CC=C(C=N1)CC(N)C(=O)O MCULE-7515109915 [2,0,0,0,0,0|2,0,0]=4 258 B13R1.133 CC1=CC=C(C=N1)CC(N)C(=O)O MCULE-7970126746 [2,0,0,0,0,0|2,0,0]=4 259 B13R1.133 CC1=CC=C(C=N1)C[C@H](N)C(=O)O MCULE-3552123991 [2,0,0,0,0,0|2,0,0]=4 260 B13R1.133 CC1=CC=C(C=N1)C[C@H](N)C(=O)O MCULE-8500104051 [2,0,0,0,0,0|2,0,0]=4 261 B13R1.133 CC1=CN=C(C=C1)CC(N)C(=O)O MCULE-9990775207 [2,0,0,0,0,0|2,0,0]=4 262 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O MCULE-2306319707 [2,0,0,0,0,0|2,0,0]=4 263 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O MCULE-2747836834 [2,0,0,0,0,0|2,0,0]=4 264 B13R1.133 C[C@H](OC1=CC=C(C=C1)O)C(=O)O MCULE-3555894490 [2,0,0,0,0,0|2,0,0]=4 265 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl MCULE-3507738342 [2,0,0,0,0,0|2,0,0]=4 266 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl MCULE-3797575548 [2,0,0,0,0,0|2,0,0]=4 267 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)I MCULE-5322396806 [2,0,0,0,0,0|2,0,0]=4 268 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)O MCULE-4534251709 [2,0,0,0,0,0|1,0,0]=3 269 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)O MCULE-6666960690 [2,0,0,0,0,0|1,0,0]=3 270 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)O MCULE-7581214871 [2,0,0,0,0,0|1,0,0]=3 271 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-2962528193 [2,0,0,0,0,0|1,0,0]=3 272 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-4978506956 [2,0,0,0,0,0|1,0,0]=3 273 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-6881448953 [2,0,0,0,0,0|1,0,0]=3 274 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O MCULE-8756948838 [2,0,0,0,0,0|1,0,0]=3 275 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O MCULE-3717625016 [2,0,0,0,0,0|1,0,0]=3 276 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O MCULE-5489720734 [2,0,0,0,0,0|1,0,0]=3 277 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O MCULE-6882717101 [2,0,0,0,0,0|1,0,0]=3 278 B13R1.133 NC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-1775451572 [2,0,0,0,0,0|1,0,0]=3 279 B13R1.133 NC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-7470720579 [2,0,0,0,0,0|1,0,0]=3 280 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2078281838 [2,0,0,0,0,0|1,0,0]=3 281 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3147443800 [2,0,0,0,0,0|1,0,0]=3 282 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6446437625 [2,0,0,0,0,0|1,0,0]=3 283 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-1002354431 [2,0,0,0,0,0|1,0,0]=3 284 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-3057881279 [2,0,0,0,0,0|1,0,0]=3 285 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-3274733318 [2,0,0,0,0,0|1,0,0]=3 286 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-9271769862 [2,0,0,0,0,0|1,0,0]=3 287 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O MCULE-3082140157 [2,0,0,0,0,0|1,0,0]=3 288 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O MCULE-8666804898 [2,0,0,0,0,0|1,0,0]=3 289 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-1694199256 [2,0,0,0,0,0|0,0,0]=2 290 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-3703416768 [2,0,0,0,0,0|0,0,0]=2 291 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-6898017610 [2,0,0,0,0,0|0,0,0]=2 292 B13R1.133 NC(CC1=CC=C(C=C1)[O-])C(=O)[O-] MCULE-4113012438 [2,0,0,0,0,0|0,0,2]=4 293 B13R1.133 NC(CC1=CC=C(C=C1)[O-])C(=O)[O-] MCULE-6004946837 [2,0,0,0,0,0|0,0,2]=4 294 B13R1.133 NC(CC1=CC=C(C=N1)Cl)C(=O)O MCULE-3104561565 [2,0,0,0,0,0|2,0,0]=4 295 B13R1.133 NC(CC1=CN=C(C=C1)Cl)C(=O)O MCULE-6144527889 [2,0,0,0,0,0|2,0,0]=4 296 B13R1.133 NC(CC1=NC=C(C=C1)Br)C(=O)O MCULE-1184762054 [2,0,0,0,0,0|2,0,0]=4 297 B13R1.133 NC(CC1=NC=C(C=C1)Br)C(=O)O MCULE-3401635049 [2,0,0,0,0,0|2,0,0]=4 298 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O MCULE-7003179779 [2,0,0,0,0,0|2,0,0]=4 299 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-3239737488 [2,0,0,0,0,0|1,0,0]=3 300 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-6150381462 [2,0,0,0,0,0|1,0,0]=3 301 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-9416228233 [2,0,0,0,0,0|1,0,0]=3 302 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-1451751780 [2,0,0,0,0,0|1,0,0]=3 303 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-2816716756 [2,0,0,0,0,0|1,0,0]=3 304 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-6139445410 [2,0,0,0,0,0|1,0,0]=3 305 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-9266819464 [2,0,0,0,0,0|1,0,0]=3 306 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-2156725008 [2,0,0,0,0,0|1,0,0]=3 307 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-3637255624 [2,0,0,0,0,0|1,0,0]=3 308 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-4975962563 [2,0,0,0,0,0|1,0,0]=3 309 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-7143135740 [2,0,0,0,0,0|1,0,0]=3 310 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8089296783 [2,0,0,0,0,0|1,0,0]=3 311 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-4387611400 [2,0,0,0,0,0|1,0,0]=3 312 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-7124632876 [2,0,0,0,0,0|1,0,0]=3 313 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-7237411145 [2,0,0,0,0,0|1,0,0]=3 314 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-9545997189 [2,0,0,0,0,0|1,0,0]=3 315 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-1704209264 [2,0,0,0,0,0|1,0,0]=3 316 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-4577062521 [2,0,0,0,0,0|1,0,0]=3 317 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8737892544 [2,0,0,0,0,0|1,0,0]=3 318 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8976470347 [2,0,0,0,0,0|1,0,0]=3 319 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2723914313 [2,0,0,0,0,0|1,0,0]=3 320 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-6302870801 [2,0,0,0,0,0|1,0,0]=3 321 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-2932088896 [2,0,0,0,0,0|0,0,0]=2 322 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-2973514450 [2,0,0,0,0,0|0,0,0]=2 323 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6154244493 [2,0,0,0,0,0|0,0,0]=2 324 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-8059108702 [2,0,0,0,0,0|0,0,0]=2 325 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-] MCULE-5588166039 [2,0,0,0,0,0|0,0,1]=3 326 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-] MCULE-6851459722 [2,0,0,0,0,0|0,0,1]=3 327 B13R1.133 N[C@@H](CC1=CC=C(C=C1)[O-])C(=O)[O-] MCULE-1962102238 [2,0,0,0,0,0|0,0,2]=4 328 B13R1.133 N[C@@H](CC1=CC=C(C=C1)[O-])C(=O)[O-] MCULE-2311115551 [2,0,0,0,0,0|0,0,2]=4 329 B13R1.133 N[C@@H](CC1=CC=C(C=N1)Cl)C(=O)O MCULE-8852055943 [2,0,0,0,0,0|2,0,0]=4 330 B13R1.133 N[C@@H](CC1=CC=C(N=C1)Cl)C(=O)O MCULE-1340381614 [2,0,0,0,0,0|2,0,0]=4 331 B13R1.133 N[C@@H](CC1=CC=C(N=C1)Cl)C(=O)O MCULE-5029235962 [2,0,0,0,0,0|2,0,0]=4 332 B13R1.133 N[C@@H](CC1=CN=C(C=C1)Cl)C(=O)O MCULE-5440835507 [2,0,0,0,0,0|2,0,0]=4 333 B13R1.133 N[C@@H](CC1=CN=C(C=C1)Cl)C(=O)O MCULE-6580710907 [2,0,0,0,0,0|2,0,0]=4 334 B13R1.133 N[C@@H](CC1=NC=C(C=C1)Br)C(=O)O MCULE-5841875025 [2,0,0,0,0,0|2,0,0]=4 335 B13R1.133 N[C@@H](CC1=NC=C(C=C1)Br)C(=O)O MCULE-8825878130 [2,0,0,0,0,0|2,0,0]=4 336 B13R1.133 N[C@@H](CC1=NC=C(C=C1)Cl)C(=O)O MCULE-7695251719 [2,0,0,0,0,0|2,0,0]=4 337 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-4875394682 [2,0,0,0,0,0|1,0,0]=3 338 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8335788231 [2,0,0,0,0,0|1,0,0]=3 339 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8515191610 [2,0,0,0,0,0|1,0,0]=3 340 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2834745731 [2,0,0,0,0,0|1,0,0]=3 341 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3982277557 [2,0,0,0,0,0|1,0,0]=3 342 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-4128938211 [2,0,0,0,0,0|1,0,0]=3 343 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6437321299 [2,0,0,0,0,0|1,0,0]=3 344 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-1442650276 [2,0,0,0,0,0|1,0,0]=3 345 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-3700362961 [2,0,0,0,0,0|1,0,0]=3 346 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8139852905 [2,0,0,0,0,0|1,0,0]=3 347 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-9312923607 [2,0,0,0,0,0|1,0,0]=3 348 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2177794046 [2,0,0,0,0,0|1,0,0]=3 349 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2766032223 [2,0,0,0,0,0|1,0,0]=3 350 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6003337645 [2,0,0,0,0,0|0,0,0]=2 351 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-7719741497 [2,0,0,0,0,0|0,0,0]=2 352 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O MCULE-7014208403 [2,0,0,0,0,0|1,0,1]=4 353 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)Cl MCULE-5204071465 [2,0,0,0,0,0|2,0,0]=4 354 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F MCULE-5681231647 [2,0,0,0,0,0|2,0,0]=4 355 B13R1.133 O=C(O)C(F)CC1=CC=C(C=C1)O MCULE-6083408945 [2,0,0,0,0,0|1,0,0]=3 356 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)Br MCULE-7943248642 [2,0,0,0,0,0|2,0,0]=4 357 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)Cl MCULE-5286691003 [2,0,0,0,0,0|2,0,0]=4 358 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F MCULE-6155847565 [2,0,0,0,0,0|2,0,0]=4 359 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)O MCULE-3818086505 [2,0,0,0,0,0|1,0,0]=3 360 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]=4 361 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]=4 362 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]=4 363 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]=4 364 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]=4 365 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]=4 366 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]=3 367 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]=3 368 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]=4 369 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]=4 370 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]=4 371 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]=4 372 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]=4 373 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]=4 374 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]=3 375 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]=3 376 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)C)C(=O)O MCULE-6439185943 [2,0,0,0,0,0|1,0,0]=3 377 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-5291387050 [2,0,0,0,0,0|1,0,0]=3 378 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-6099117172 [2,0,0,0,0,0|1,0,0]=3 379 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-7165201455 [2,0,0,0,0,0|1,0,0]=3 380 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)O)C(=O)N MCULE-1861808000 [2,0,0,0,0,0|1,0,0]=3 381 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)O)C(=O)N MCULE-5954878034 [2,0,0,0,0,0|1,0,0]=3 382 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]=4 383 B13R1.133 [NH3+]C(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2011771181 [2,0,0,0,0,0|1,0,1]=4 384 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 MCULE-4471810169 [2,0,0,0,0,0|2,0,0]=4 385 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 MCULE-9697052753 [2,0,0,0,0,0|2,0,0]=4 386 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N MCULE-2624287617 [2,0,0,0,0,0|2,0,0]=4 387 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N MCULE-9151101030 [2,0,0,0,0,0|2,0,0]=4 388 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O MCULE-8491955673 [2,0,0,0,0,0|1,0,0]=3 389 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O MCULE-9701727761 [2,0,0,0,0,0|1,0,0]=3 390 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O MCULE-2096048463 [2,0,0,0,0,0|2,0,0]=4 391 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-5202341879 [2,0,0,0,0,0|1,0,0]=3 392 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-3296564620 [2,0,0,0,0,0|1,0,0]=3 393 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-5770222064 [2,0,0,0,0,0|1,0,0]=3 394 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8614292304 [2,0,0,0,0,0|1,0,0]=3 395 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8697326618 [2,0,0,0,0,0|1,0,0]=3 396 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-5479131562 [2,0,0,0,0,0|1,0,0]=3 397 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-8687654257 [2,0,0,0,0,0|1,0,0]=3 398 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-9499293392 [2,0,0,0,0,0|1,0,0]=3 399 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-1845048066 [2,0,0,0,0,0|1,0,0]=3 400 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O MCULE-9752844525 [2,0,0,0,0,0|1,0,0]=3 401 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 MCULE-2618772778 [2,0,0,0,0,0|1,0,0]=3 402 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MCULE-3348967519 [2,0,0,0,0,0|0,0,0]=2 403 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MCULE-4051921601 [2,0,0,0,0,0|0,0,0]=2 404 B13R1.152 NC(C(=O)O)C(O)C1=CN=CC=C1 MCULE-5411267363 [2,0,0,0,0,0|1,0,0]=3 405 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O MCULE-2719281342 [2,0,0,0,0,0|2,0,0]=4 406 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O MCULE-5123619879 [2,0,0,0,0,0|2,0,0]=4 407 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 MCULE-6532492719 [2,0,0,0,0,0|0,0,0]=2 408 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7686375522 [2,0,0,0,0,0|0,0,0]=2 409 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-2183846050 [2,0,0,0,0,0|2,0,0]=4 410 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-3688029768 [2,0,0,0,0,0|2,0,0]=4 411 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-3819078710 [2,0,0,0,0,0|2,0,0]=4 412 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-5219240474 [2,0,0,0,0,0|2,0,0]=4 413 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-6868554139 [2,0,0,0,0,0|2,0,0]=4 414 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-7992078018 [2,0,0,0,0,0|2,0,0]=4 415 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O MCULE-9060327137 [2,0,0,0,0,0|2,0,0]=4 416 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 MCULE-3533562532 [2,0,0,0,0,0|0,0,0]=2 417 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7276106585 [2,0,0,0,0,0|0,0,0]=2 418 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 MCULE-7798579567 [2,0,0,0,0,0|0,0,0]=2 419 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-3650949263 [2,0,0,0,0,0|2,0,0]=4 420 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-8610185053 [2,0,0,0,0,0|2,0,0]=4 421 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O MCULE-5142392737 [2,0,0,0,0,0|2,0,0]=4 422 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 MCULE-2104980401 [2,0,0,0,0,0|2,0,0]=4 423 B13R1.152 O=C(O)C(O)C(O)C1=CC=CC=C1 MCULE-7246952508 [2,0,0,0,0,0|1,0,0]=3 424 B13R1.152 [C@@H](N)(C1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-4071607168 [2,0,0,0,0,0|2,0,0]=4 425 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)Br MCULE-1858718044 [2,0,0,0,0,0|2,0,0]=4 426 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)Cl MCULE-3850219104 [2,0,0,0,0,0|2,0,0]=4 427 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F MCULE-4690317270 [2,0,0,0,0,0|2,0,0]=4 428 B13R1.147 CC(CC(=O)O)C1=CC=CC(=C1)O MCULE-3350719612 [2,0,0,0,0,0|1,0,0]=3 429 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O MCULE-6651051129 [2,0,0,0,0,0|2,0,0]=4 430 B13R1.147 CC1=CC(=CC=C1)[C@@H](N)CC(=O)O MCULE-2104912512 [2,0,0,0,0,0|2,0,0]=4 431 B13R1.147 CC1=CC(=CC=C1)[C@@H](N)CC(=O)O MCULE-7283565297 [2,0,0,0,0,0|2,0,0]=4 432 B13R1.147 CC1=CC=CC(=C1)[C@H](N)CC(=O)O MCULE-1258228769 [2,0,0,0,0,0|2,0,0]=4 433 B13R1.147 CC1=CC=CC(=C1)[C@H](N)CC(=O)O MCULE-9012059566 [2,0,0,0,0,0|2,0,0]=4 434 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Br MCULE-2130613813 [2,0,0,0,0,0|2,0,0]=4 435 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl MCULE-3279923328 [2,0,0,0,0,0|2,0,0]=4 436 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl MCULE-3483759907 [2,0,0,0,0,0|2,0,0]=4 437 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)F MCULE-5468189663 [2,0,0,0,0,0|2,0,0]=4 438 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)F MCULE-5944373590 [2,0,0,0,0,0|2,0,0]=4 439 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)I MCULE-2719207128 [2,0,0,0,0,0|2,0,0]=4 440 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O MCULE-1755994558 [2,0,0,0,0,0|1,0,0]=3 441 B13R1.147 NC(CC(=O)O)C1=CC=CC(=C1)F MCULE-3694211923 [2,0,0,0,0,0|2,0,0]=4 442 B13R1.147 NC1=CC=CC(=C1)C(N)CC(=O)O MCULE-6735304032 [2,0,0,0,0,0|2,0,0]=4 443 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)Br MCULE-1369109617 [2,0,0,0,0,0|2,0,0]=4 444 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)Cl MCULE-7437610192 [2,0,0,0,0,0|2,0,0]=4 445 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)F MCULE-1515972712 [2,0,0,0,0,0|2,0,0]=4 446 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)F MCULE-8670924100 [2,0,0,0,0,0|2,0,0]=4 447 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)O MCULE-4376328862 [2,0,0,0,0,0|1,0,0]=3 448 B13R1.147 N[C@@H](CC(=O)O)C1=CC(=CC=C1)O MCULE-9637770589 [2,0,0,0,0,0|1,0,0]=3 449 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Br MCULE-9855646135 [2,0,0,0,0,0|2,0,0]=4 450 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Cl MCULE-9708240527 [2,0,0,0,0,0|2,0,0]=4 451 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-6272898167 [2,0,0,0,0,0|2,0,0]=4 452 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-7595394286 [2,0,0,0,0,0|2,0,0]=4 453 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)I MCULE-5328947539 [2,0,0,0,0,0|2,0,0]=4 454 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)I MCULE-7570820212 [2,0,0,0,0,0|2,0,0]=4 455 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)Br MCULE-5270125712 [2,0,0,0,0,0|2,0,0]=4 456 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)Cl MCULE-7687982810 [2,0,0,0,0,0|2,0,0]=4 457 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)F MCULE-1302961309 [2,0,0,0,0,0|2,0,0]=4 458 B13R1.147 N[C@H](CC(=O)O)C1=CC(=CC=C1)O MCULE-5347433444 [2,0,0,0,0,0|1,0,0]=3 459 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Br MCULE-6372478159 [2,0,0,0,0,0|2,0,0]=4 460 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Cl MCULE-5185136691 [2,0,0,0,0,0|2,0,0]=4 461 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-1224815118 [2,0,0,0,0,0|2,0,0]=4 462 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)F MCULE-7507542498 [2,0,0,0,0,0|2,0,0]=4 463 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F MCULE-5027650210 [2,0,0,0,0,0|1,0,0]=3 464 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)Cl MCULE-1318536807 [2,0,0,0,0,0|1,0,0]=3 465 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)O MCULE-5848476031 [2,0,0,0,0,0|0,0,0]=2 466 B13R1.147 O=C(O)C[C@@H](O)C1=CC(=CC=C1)Cl MCULE-6161804269 [2,0,0,0,0,0|1,0,0]=3 467 B13R1.147 O=C(O)C[C@@H](O)C1=CC=CC(=C1)Cl MCULE-8606776028 [2,0,0,0,0,0|1,0,0]=3 468 B13R1.147 O=C(O)C[C@H](O)C1=CC(=CC=C1)Cl MCULE-1125186678 [2,0,0,0,0,0|1,0,0]=3 469 B13R1.147 O=C(O)C[C@H](O)C1=CC(=CC=C1)Cl MCULE-8247907524 [2,0,0,0,0,0|1,0,0]=3 470 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-6477232957 [2,0,0,0,0,0|2,0,0]=4 471 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O MCULE-2517739295 [2,0,0,0,0,0|2,0,0]=4 472 B13R1.148 CC(CC1=CC=CC(=C1)Br)C(=O)O MCULE-5772259355 [2,0,0,0,0,0|2,0,0]=4 473 B13R1.148 CC(CC1=CC=CC(=C1)I)C(=O)O MCULE-8176960531 [2,0,0,0,0,0|2,0,0]=4 474 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-1997175050 [2,0,0,0,0,0|1,0,0]=3 475 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-9587136551 [2,0,0,0,0,0|1,0,0]=3 476 B13R1.148 CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-8447730242 [2,0,0,0,0,0|1,0,0]=3 477 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5228247053 [2,0,0,0,0,0|1,0,0]=3 478 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8475369617 [2,0,0,0,0,0|1,0,0]=3 479 B13R1.148 CC1=CC=CC(=C1)CC(C)C(=O)O MCULE-8982907611 [2,0,0,0,0,0|2,0,0]=4 480 B13R1.148 CC1=CC=CC(=C1)CC(N)C(=O)O MCULE-1770281237 [2,0,0,0,0,0|1,0,0]=3 481 B13R1.148 CC1=CC=CC(=C1)C[C@@H](N)C(=O)O MCULE-8538987390 [2,0,0,0,0,0|1,0,0]=3 482 B13R1.148 NC(=O)C(N)CC1=CC(=CC=C1)Br MCULE-3460219781 [2,0,0,0,0,0|2,0,0]=4 483 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O MCULE-2348274001 [2,0,0,0,0,0|1,0,0]=3 484 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O MCULE-6147884206 [2,0,0,0,0,0|1,0,0]=3 485 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-1289187602 [2,0,0,0,0,0|1,0,0]=3 486 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-8409034063 [2,0,0,0,0,0|1,0,0]=3 487 B13R1.148 NC(CC1=CC(=CC=C1)F)C(=O)O MCULE-3048081903 [2,0,0,0,0,0|1,0,0]=3 488 B13R1.148 NC(CC1=CC(=CC=C1)I)C(=O)O MCULE-4400986534 [2,0,0,0,0,0|1,0,0]=3 489 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1682126004 [2,0,0,0,0,0|0,0,0]=2 490 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1870924489 [2,0,0,0,0,0|0,0,0]=2 491 B13R1.148 NC(CC1=CC=CC(=C1)Br)C(=O)O MCULE-8007269772 [2,0,0,0,0,0|1,0,0]=3 492 B13R1.148 NC(CC1=CC=CC(=C1)Cl)C(=O)O MCULE-1743986990 [2,0,0,0,0,0|1,0,0]=3 493 B13R1.148 NC(CC1=CC=CC(=C1)Cl)C(=O)O MCULE-6477168764 [2,0,0,0,0,0|1,0,0]=3 494 B13R1.148 NC(CC1=CC=CC(=C1)F)C(=O)O MCULE-1037840303 [2,0,0,0,0,0|1,0,0]=3 495 B13R1.148 NC(CC1=CC=CC(=C1)F)C(=O)O MCULE-1978574097 [2,0,0,0,0,0|1,0,0]=3 496 B13R1.148 NC(CC1=CC=CC(=C1)O)C(=O)O MCULE-7197195437 [2,0,0,0,0,0|0,0,0]=2 497 B13R1.148 NC1=CC(=CC=C1)CC(N)C(=O)O MCULE-2467932131 [2,0,0,0,0,0|1,0,0]=3 498 B13R1.148 NC1=CC(=CC=C1)CC(N)C(=O)O MCULE-5537013080 [2,0,0,0,0,0|1,0,0]=3 499 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2052828414 [2,0,0,0,0,0|1,0,0]=3 500 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2924867217 [2,0,0,0,0,0|1,0,0]=3 501 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5878731697 [2,0,0,0,0,0|1,0,0]=3 502 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8248386535 [2,0,0,0,0,0|1,0,0]=3 503 B13R1.148 NC1=CC=CC(=C1)CC(N)C(=O)O MCULE-6788793962 [2,0,0,0,0,0|1,0,0]=3 504 B13R1.148 NC1=CC=CC(=C1)CC(N)C(=O)O MCULE-7989672916 [2,0,0,0,0,0|1,0,0]=3 505 B13R1.148 N[C@@H](CC1=CC(=CC=C1)Br)C(=O)O MCULE-3495438482 [2,0,0,0,0,0|1,0,0]=3 506 B13R1.148 N[C@@H](CC1=CC(=CC=C1)Cl)C(=O)O MCULE-9561585574 [2,0,0,0,0,0|1,0,0]=3 507 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-2356956274 [2,0,0,0,0,0|0,0,0]=2 508 B13R1.148 N[C@@H](CC1=CC(=CN=C1)F)C(=O)O MCULE-1217529300 [2,0,0,0,0,0|2,0,0]=4 509 B13R1.148 N[C@@H](CC1=CC(=CN=C1)F)C(=O)O MCULE-6320059944 [2,0,0,0,0,0|2,0,0]=4 510 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-1686064373 [2,0,0,0,0,0|1,0,0]=3 511 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-4183003026 [2,0,0,0,0,0|1,0,0]=3 512 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-5029761730 [2,0,0,0,0,0|1,0,0]=3 513 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-6284927524 [2,0,0,0,0,0|1,0,0]=3 514 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-9100547203 [2,0,0,0,0,0|1,0,0]=3 515 B13R1.148 N[C@@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-7481903657 [2,0,0,0,0,0|1,0,0]=3 516 B13R1.148 N[C@@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-8671021032 [2,0,0,0,0,0|1,0,0]=3 517 B13R1.148 N[C@@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-6787387564 [2,0,0,0,0,0|1,0,0]=3 518 B13R1.148 N[C@@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-8633614286 [2,0,0,0,0,0|1,0,0]=3 519 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-2174973339 [2,0,0,0,0,0|0,0,0]=2 520 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-6923480945 [2,0,0,0,0,0|0,0,0]=2 521 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-8483193639 [2,0,0,0,0,0|0,0,0]=2 522 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-4455335179 [2,0,0,0,0,0|0,0,0]=2 523 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-6512619298 [2,0,0,0,0,0|0,0,0]=2 524 B13R1.148 N[C@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-6055691240 [2,0,0,0,0,0|1,0,0]=3 525 B13R1.148 N[C@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-8797288798 [2,0,0,0,0,0|1,0,0]=3 526 B13R1.148 N[C@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-5153208600 [2,0,0,0,0,0|1,0,0]=3 527 B13R1.148 N[C@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-7991505295 [2,0,0,0,0,0|1,0,0]=3 528 B13R1.148 N[C@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-2189181945 [2,0,0,0,0,0|1,0,0]=3 529 B13R1.148 N[C@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-5152700511 [2,0,0,0,0,0|1,0,0]=3 530 B13R1.148 N[C@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-1640787822 [2,0,0,0,0,0|1,0,0]=3 531 B13R1.148 N[C@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-7721290088 [2,0,0,0,0,0|1,0,0]=3 532 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O MCULE-1866756519 [2,0,0,0,0,0|1,0,1]=4 533 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O MCULE-6498936138 [2,0,0,0,0,0|1,0,1]=4 534 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Br MCULE-3046403950 [2,0,0,0,0,0|2,0,0]=4 535 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl MCULE-9442017506 [2,0,0,0,0,0|2,0,0]=4 536 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)F MCULE-2359914332 [2,0,0,0,0,0|2,0,0]=4 537 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)O MCULE-6217953446 [2,0,0,0,0,0|1,0,0]=3 538 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(=C1)F MCULE-4562223673 [2,0,0,0,0,0|2,0,0]=4 539 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(=C1)F MCULE-7772826280 [2,0,0,0,0,0|2,0,0]=4 540 B13R1.148 O=C(O)[C@H](O)CC1=CC=CC(=C1)Br MCULE-5782934287 [2,0,0,0,0,0|2,0,0]=4 541 B13R1.466 C(O)(CNC)C1=CC(=C(C=C1)O)O MCULE-9288795376 [2,0,0,0,0,0|2,0,0]=4 542 B13R1.466 C=CC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-1210823747 [2,0,0,0,0,0|2,0,0]=4 543 B13R1.466 C=CC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-6901786451 [2,0,0,0,0,0|2,0,0]=4 544 B13R1.466 C=CC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-4729062930 [2,0,0,0,0,0|2,0,0]=4 545 B13R1.466 C=CC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-5681095700 [2,0,0,0,0,0|2,0,0]=4 546 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)O MCULE-4868062157 [2,0,0,0,0,0|2,0,0]=4 547 B13R1.466 CNCC(O)C1=CC=C(C(=C1)O)O MCULE-2707689623 [2,0,0,0,0,0|2,0,0]=4 548 B13R1.466 CNC[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-5329060581 [2,0,0,0,0,0|2,0,0]=4 549 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O MCULE-3039628476 [2,0,0,0,0,0|2,0,0]=4 550 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O MCULE-9462717294 [2,0,0,0,0,0|2,0,0]=4 551 B13R1.466 CNC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-2397450409 [2,0,0,0,0,0|2,0,0]=4 552 B13R1.466 C[NH2+]CC(O)C1=CC(=C(C=C1)O)O MCULE-9233286495 [2,0,0,0,0,0|2,0,0]=4 553 B13R1.466 N[C@@H](CCO)C1=CC=C(C(=C1)O)O MCULE-3059537972 [2,0,0,0,0,0|1,0,1]=4 554 B13R1.466 N[C@@H](CCO)C1=CC=C(C(=C1)O)O MCULE-4172675142 [2,0,0,0,0,0|1,0,1]=4 555 B13R1.466 N[C@H](CCO)C1=CC=C(C(=C1)O)O MCULE-1370960891 [2,0,0,0,0,0|1,0,1]=4 556 B13R1.466 N[C@H](CCO)C1=CC=C(C(=C1)O)O MCULE-3901172324 [2,0,0,0,0,0|1,0,1]=4 557 B13R1.466 [C@H](O)(CNC)C1=CC(=C(C=C1)O)O MCULE-9910224673 [2,0,0,0,0,0|2,0,0]=4 558 B13R1.466 [NH2+](C)CC(O)C1=CC=C(C(=C1)O)O MCULE-5871517365 [2,0,0,0,0,0|2,0,0]=4 559 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)O MCULE-9574412120 [2,0,0,0,0,0|1,0,0]=3 560 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C MCULE-7369215560 [2,0,0,0,0,0|2,0,0]=4 561 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl MCULE-9054375105 [2,0,0,0,0,0|2,0,0]=4 562 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)F MCULE-9844554977 [2,0,0,0,0,0|2,0,0]=4 563 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br MCULE-9232565026 [2,0,0,0,0,0|2,0,0]=4 564 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Cl MCULE-3566859648 [2,0,0,0,0,0|2,0,0]=4 565 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)F MCULE-7289492177 [2,0,0,0,0,0|2,0,0]=4 566 B13R1.511 CC1=CC(=CC=C1O)CCC(=O)O MCULE-3677897760 [2,0,0,0,0,0|1,0,0]=3 567 B13R1.511 CC1=CC=C(C=C1Br)CCC(=O)O MCULE-8631544438 [2,0,0,0,0,0|2,0,0]=4 568 B13R1.511 CC1=CC=C(C=C1N)CCC(=O)O MCULE-2806484036 [2,0,0,0,0,0|2,0,0]=4 569 B13R1.511 CC1=CC=C(C=C1O)CCC(=O)O MCULE-7926065965 [2,0,0,0,0,0|1,0,0]=3 570 B13R1.511 NC1=C(C=CC(=C1)CCC(=O)O)O MCULE-5447737067 [2,0,0,0,0,0|1,0,0]=3 571 B13R1.511 NC1=CC(=CC=C1Br)CCC(=O)O MCULE-3775547039 [2,0,0,0,0,0|2,0,0]=4 572 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]=4 573 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]=4 574 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O MCULE-2069871168 [2,0,0,0,0,0|0,0,2]=4 575 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl MCULE-2058184264 [2,0,0,0,0,0|2,0,0]=4 576 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl MCULE-6356184282 [2,0,0,0,0,0|2,0,0]=4 577 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F MCULE-2041860695 [2,0,0,0,0,0|2,0,0]=4 578 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)F)Cl MCULE-2045173249 [2,0,0,0,0,0|2,0,0]=4 579 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)F)F MCULE-8785469868 [2,0,0,0,0,0|2,0,0]=4 580 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Br MCULE-7229181192 [2,0,0,0,0,0|1,0,0]=3 581 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl MCULE-4283987039 [2,0,0,0,0,0|1,0,0]=3 582 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)F MCULE-8491503229 [2,0,0,0,0,0|1,0,0]=3 583 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Br)Cl MCULE-3510621934 [2,0,0,0,0,0|2,0,0]=4 584 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Br)F MCULE-4528970991 [2,0,0,0,0,0|2,0,0]=4 585 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)F)Br MCULE-2316980738 [2,0,0,0,0,0|2,0,0]=4 586 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O MCULE-4912045197 [2,0,0,0,0,0|0,0,0]=2 587 B13R1.510 CC(N)C(O)C1=CC(=C(C=C1)O)O MCULE-5922830186 [2,0,0,0,0,0|0,0,1]=3 588 B13R1.510 C[C@@H](O)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-6154494038 [2,0,0,0,0,0|2,0,0]=4 589 B13R1.510 C[C@@H](O)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-9584275881 [2,0,0,0,0,0|2,0,0]=4 590 B13R1.510 C[C@H](N)[C@H](O)C1=CC(=C(C=C1)O)O MCULE-1549649175 [2,0,0,0,0,0|0,0,1]=3 591 B13R1.510 C[C@H](N)[C@H](O)C1=CC=C(C(=C1)O)O MCULE-4709770472 [2,0,0,0,0,0|0,0,1]=3 592 B13R1.510 C[C@H](O)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-4061557437 [2,0,0,0,0,0|2,0,0]=4 593 B13R1.510 C[C@H](O)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-9454484240 [2,0,0,0,0,0|2,0,0]=4 594 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)O)O MCULE-9231535304 [2,0,0,0,0,0|1,0,1]=4 595 B15R1.6 COC1=CC=C(C=C1)C(C)C(N)C(=O)O MCULE-4240357039 [1,1,0,0,0,0|1,0,0]=3 596 B15R1.6 COC1=CC=C(C=C1)C(C)C(N)C(=O)O MCULE-7761720411 [1,1,0,0,0,0|1,0,0]=3 597 B15R1.6 COC1=CC=C(C=C1)C(N)C(O)C(=O)O MCULE-2125209405 [1,1,0,0,0,0|2,0,0]=4 598 B15R1.6 COC1=CC=C(C=C1)C(O)C(N)C(=O)O MCULE-2110365086 [1,1,0,0,0,0|0,0,0]=2 599 B15R1.6 COC1=CC=C(C=C1)[C@@H](C)[C@@H](N)C(=O)O MCULE-2318924527 [1,1,0,0,0,0|1,0,0]=3 600 B15R1.6 COC1=CC=C(C=C1)[C@@H](C)[C@@H](N)C(=O)O MCULE-9848259990 [1,1,0,0,0,0|1,0,0]=3 601 B15R1.6 COC1=CC=C(C=C1)[C@@H](C)[C@H](N)C(=O)O MCULE-1699189569 [1,1,0,0,0,0|1,0,0]=3 602 B15R1.6 COC1=CC=C(C=C1)[C@@H](C)[C@H](N)C(=O)O MCULE-3097773877 [1,1,0,0,0,0|1,0,0]=3 603 B15R1.6 COC1=CC=C(C=C1)[C@@H](N)[C@@H](O)C(=O)O MCULE-6337313454 [1,1,0,0,0,0|2,0,0]=4 604 B15R1.6 COC1=CC=C(C=C1)[C@H](C)[C@@H](N)C(=O)O MCULE-8893589983 [1,1,0,0,0,0|1,0,0]=3 605 B15R1.6 COC1=CC=C(C=C1)[C@H](C)[C@@H](N)C(=O)O MCULE-9791260020 [1,1,0,0,0,0|1,0,0]=3 606 B15R1.6 COC1=CC=C(C=C1)[C@H](C)[C@H](N)C(=O)O MCULE-7399355195 [1,1,0,0,0,0|1,0,0]=3 607 B15R1.6 COC1=CC=C(C=C1)[C@H](C)[C@H](N)C(=O)O MCULE-9465569959 [1,1,0,0,0,0|1,0,0]=3 608 B15R1.11315 CC(C)(C(=O)O)C(O)C1=CC=C(C=C1)O MCULE-8938905266 [1,1,0,0,0,0|1,0,0]=3 609 B15R1.11315 CC1=CC=C(C=C1)C(O)C(C)(C)C(=O)O MCULE-2355218887 [1,1,0,0,0,0|2,0,0]=4 610 B15R1.66 COC1=CC(=CC=C1)C(N)C(O)C(=O)O MCULE-9811921430 [1,1,0,0,0,0|2,0,0]=4 611 B15R1.66 COC1=CC(=CC=C1)[C@@H](N)[C@@H](O)C(=O)O MCULE-4641016355 [1,1,0,0,0,0|2,0,0]=4 612 B15R1.66 COC1=CC(=CC=C1)[C@H](N)[C@H](O)C(=O)O MCULE-3886860906 [1,1,0,0,0,0|2,0,0]=4 613 B15R1.29536 CC(C)(C(=O)O)C(O)C1=CC(=CC=C1)O MCULE-8146665815 [1,1,0,0,0,0|1,0,0]=3 614 B15R1.758 COC(=O)CC(O)C1=CC(=C(C=C1)F)F MCULE-1225750411 [1,1,0,0,0,0|2,0,0]=4 615 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)Br)O MCULE-8167670175 [1,1,0,0,0,0|2,0,0]=4 616 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)Br)O MCULE-8245961755 [1,1,0,0,0,0|2,0,0]=4 617 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)Cl)O MCULE-5620068740 [1,1,0,0,0,0|2,0,0]=4 618 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)Cl)O MCULE-5634479028 [1,1,0,0,0,0|2,0,0]=4 619 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)F)O MCULE-4187817084 [1,1,0,0,0,0|2,0,0]=4 620 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)F)O MCULE-6808058870 [1,1,0,0,0,0|2,0,0]=4 621 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-1055991356 [1,1,0,0,0,0|1,0,0]=3 622 B15R1.758 COC(=O)C[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-9715912430 [1,1,0,0,0,0|1,0,0]=3 623 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)Br)O MCULE-2153028451 [1,1,0,0,0,0|2,0,0]=4 624 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)Br)O MCULE-8461640661 [1,1,0,0,0,0|2,0,0]=4 625 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)Cl)O MCULE-8625606359 [1,1,0,0,0,0|2,0,0]=4 626 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)Cl)O MCULE-9497357000 [1,1,0,0,0,0|2,0,0]=4 627 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)F)O MCULE-1088933344 [1,1,0,0,0,0|2,0,0]=4 628 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)F)O MCULE-6850669764 [1,1,0,0,0,0|2,0,0]=4 629 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)O)O MCULE-3227360196 [1,1,0,0,0,0|1,0,0]=3 630 B15R1.758 COC(=O)C[C@H](N)C1=CC=C(C(=C1)O)O MCULE-4841723249 [1,1,0,0,0,0|1,0,0]=3 631 B15R1.3776 COC1=CC=C(C=C1Br)C(N)CC(=O)O MCULE-3429339166 [1,1,0,0,0,0|2,0,0]=4 632 B15R1.3776 COC1=CC=C(C=C1C)C(N)CC(=O)O MCULE-2071933432 [1,1,0,0,0,0|2,0,0]=4 633 B15R1.3776 COC1=CC=C(C=C1Cl)C(N)CC(=O)O MCULE-4493748097 [1,1,0,0,0,0|2,0,0]=4 634 B15R1.3776 COC1=CC=C(C=C1O)C(N)CC(=O)O MCULE-5792431352 [1,1,0,0,0,0|1,0,0]=3 635 B15R1.3776 COC1=CC=C(C=C1O)[C@H](N)CC(=O)O MCULE-1264322856 [1,1,0,0,0,0|1,0,0]=3 636 B15R1.4037 COC1=CC(=CC=C1O)C(N)CC(=O)O MCULE-1448409618 [1,1,0,0,0,0|1,0,0]=3 637 B15R1.28954 NC(CC(=O)O)C1=CC(=C(C(=C1)I)O)I MCULE-2326023231 [1,1,0,0,0,0|2,0,0]=4 638 B15R1.676 CCC(CC1=CC=C(C(=C1)C)O)C(=O)O MCULE-7881346727 [1,1,0,0,0,0|2,0,0]=4 639 B15R1.676 NCC(CC1=CC=C(C(=C1)Cl)Cl)C(=O)O MCULE-6005376215 [1,1,0,0,0,0|2,0,0]=4 640 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)C MCULE-4576635965 [1,1,0,0,0,0|2,0,0]=4 641 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F MCULE-9585703204 [1,1,0,0,0,0|2,0,0]=4 642 B15R1.3777 COC1=C(C=C(C=C1)CC(N)C(=O)O)O MCULE-5884291477 [1,1,0,0,0,0|0,0,0]=2 643 B15R1.3777 COC1=C(C=C(C=C1)C[C@@H](N)C(=O)O)F MCULE-1496356474 [1,1,0,0,0,0|1,0,0]=3 644 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]=3 645 B15R1.3777 COC1=C(C=C(C=C1)C[C@H](N)C(=O)O)F MCULE-8709215261 [1,1,0,0,0,0|1,0,0]=3 646 B15R1.3777 COC1=CC=C(C=C1F)CC(N)C(=O)O MCULE-6887943165 [1,1,0,0,0,0|1,0,0]=3 647 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-4895674857 [1,1,0,0,0,0|0,0,0]=2 648 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-6180340931 [1,1,0,0,0,0|0,0,0]=2 649 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-6667736520 [1,1,0,0,0,0|0,0,0]=2 650 B15R1.3777 COC1=CC=C(C=C1O)C[C@H](N)C(=O)O MCULE-6834322773 [1,1,0,0,0,0|0,0,0]=2 651 B15R1.3777 NC(CC1=CC=C(C(=C1)F)C=O)C(=O)O MCULE-9167603249 [1,1,0,0,0,0|1,0,1]=4 652 B15R1.4038 COC1=C(C=CC(=C1)CC(=O)C(=O)O)O MCULE-8932848796 [1,1,0,0,0,0|1,0,1]=4 653 B15R1.4038 COC1=C(C=CC(=C1)CC(C)C(=O)O)C MCULE-5418902763 [1,1,0,0,0,0|2,0,0]=4 654 B15R1.4038 COC1=C(C=CC(=C1)CC(C)C(=O)O)F MCULE-6975370484 [1,1,0,0,0,0|2,0,0]=4 655 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)F MCULE-1640625534 [1,1,0,0,0,0|1,0,0]=3 656 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O MCULE-4733493787 [1,1,0,0,0,0|0,0,0]=2 657 B15R1.4038 COC1=C(C=CC(=C1)CC(O)C(=O)[O-])O MCULE-4273162721 [1,1,0,0,0,0|1,0,1]=4 658 B15R1.4038 COC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-1430768082 [1,1,0,0,0,0|0,0,0]=2 659 B15R1.4038 COC1=C(C=CC(=C1)C[C@H](N)C(=O)O)O MCULE-6491381871 [1,1,0,0,0,0|0,0,0]=2 660 B15R1.4038 COC1=CC(=CC=C1C)CC(N)C(=O)O MCULE-7293249052 [1,1,0,0,0,0|1,0,0]=3 661 B15R1.4038 COC1=CC(=CC=C1O)CC(N)C(=O)O MCULE-5255380629 [1,1,0,0,0,0|0,0,0]=2 662 B15R1.4038 COC1=CC(=CC=C1O)CC(O)C(=O)O MCULE-4905795738 [1,1,0,0,0,0|1,0,0]=3 663 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-4154194049 [1,1,0,0,0,0|0,0,0]=2 664 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](O)C(=O)O MCULE-2286648207 [1,1,0,0,0,0|1,0,0]=3 665 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](O)C(=O)O MCULE-3682555469 [1,1,0,0,0,0|1,0,0]=3 666 B15R1.4038 N#CC1=CC(=CC=C1O)C[C@H](N)C(=O)O MCULE-4983890225 [1,1,0,0,0,0|1,0,0]=3 667 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F MCULE-1440475052 [1,1,0,0,0,0|1,0,0]=3 668 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F MCULE-2390202300 [1,1,0,0,0,0|1,0,0]=3 669 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)I MCULE-6783616801 [1,1,0,0,0,0|1,0,0]=3 670 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)O MCULE-5224971073 [1,1,0,0,0,0|0,0,0]=2 671 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)O MCULE-9236741215 [1,1,0,0,0,0|0,0,0]=2 672 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)C)F MCULE-7204396993 [1,1,0,0,0,0|2,0,0]=4 673 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)C)F MCULE-9354485918 [1,1,0,0,0,0|2,0,0]=4 674 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)Cl)Cl MCULE-7668406654 [1,1,0,0,0,0|2,0,0]=4 675 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)Cl)Cl MCULE-8355367709 [1,1,0,0,0,0|2,0,0]=4 676 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)F)C MCULE-3846953921 [1,1,0,0,0,0|2,0,0]=4 677 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)F)F MCULE-8909363139 [1,1,0,0,0,0|2,0,0]=4 678 B15R1.5521 COC(=O)C(N)CC1=CC=C(C(=C1)I)O MCULE-1550420120 [1,1,0,0,0,0|1,0,0]=3 679 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]=4 680 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)C)Cl MCULE-9208559417 [1,1,0,0,0,0|2,0,0]=4 681 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)C)O MCULE-4452021995 [1,1,0,0,0,0|1,0,0]=3 682 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]=4 683 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)Cl)O MCULE-7199910600 [1,1,0,0,0,0|1,0,0]=3 684 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)F)Cl MCULE-8037528716 [1,1,0,0,0,0|2,0,0]=4 685 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)N)Cl MCULE-6113363031 [1,1,0,0,0,0|2,0,0]=4 686 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)N)F MCULE-8459051745 [1,1,0,0,0,0|2,0,0]=4 687 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)N)N MCULE-8517404770 [1,1,0,0,0,0|2,0,0]=4 688 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]=3 689 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)Cl MCULE-9082614619 [1,1,0,0,0,0|1,0,0]=3 690 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)I MCULE-1453641501 [1,1,0,0,0,0|1,0,0]=3 691 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]=4 692 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]=4 693 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-2154316550 [1,1,0,0,0,0|2,0,0]=4 694 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-4586644358 [1,1,0,0,0,0|2,0,0]=4 695 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-5070466747 [1,1,0,0,0,0|2,0,0]=4 696 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-5924178626 [1,1,0,0,0,0|2,0,0]=4 697 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)C MCULE-7717825183 [1,1,0,0,0,0|2,0,0]=4 698 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)Cl MCULE-7431961577 [1,1,0,0,0,0|2,0,0]=4 699 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)F MCULE-4865843331 [1,1,0,0,0,0|2,0,0]=4 700 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)F MCULE-7637331663 [1,1,0,0,0,0|2,0,0]=4 701 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)F MCULE-7973208541 [1,1,0,0,0,0|2,0,0]=4 702 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)F MCULE-8580095525 [1,1,0,0,0,0|2,0,0]=4 703 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)O MCULE-4643702580 [1,1,0,0,0,0|1,0,0]=3 704 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)F)O MCULE-9841550381 [1,1,0,0,0,0|1,0,0]=3 705 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)I)O MCULE-5476102781 [1,1,0,0,0,0|1,0,0]=3 706 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)I)O MCULE-5790251739 [1,1,0,0,0,0|1,0,0]=3 707 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)N)C MCULE-1908532724 [1,1,0,0,0,0|2,0,0]=4 708 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)N)Cl MCULE-4271687807 [1,1,0,0,0,0|2,0,0]=4 709 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)N)F MCULE-8166470728 [1,1,0,0,0,0|2,0,0]=4 710 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)N)O MCULE-3506197717 [1,1,0,0,0,0|1,0,0]=3 711 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)N)O MCULE-5696536890 [1,1,0,0,0,0|1,0,0]=3 712 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)F MCULE-9432253598 [1,1,0,0,0,0|1,0,0]=3 713 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-3252157436 [1,1,0,0,0,0|0,0,0]=2 714 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-6374263286 [1,1,0,0,0,0|0,0,0]=2 715 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-8067117723 [1,1,0,0,0,0|0,0,0]=2 716 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O MCULE-8985334842 [1,1,0,0,0,0|0,0,0]=2 717 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]=4 718 B15R1.5521 COC(=O)[C@@H](N)CN1C=CC(=O)C(=C1)O MCULE-5739020028 [1,1,0,0,0,0|1,0,1]=4 719 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]=4 720 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)C)Cl MCULE-7757883646 [1,1,0,0,0,0|2,0,0]=4 721 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)C)O MCULE-5390799441 [1,1,0,0,0,0|1,0,0]=3 722 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]=4 723 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)Cl)O MCULE-4405481316 [1,1,0,0,0,0|1,0,0]=3 724 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)F)Cl MCULE-8597709514 [1,1,0,0,0,0|2,0,0]=4 725 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)F)F MCULE-2391276891 [1,1,0,0,0,0|2,0,0]=4 726 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)N)Cl MCULE-6835211628 [1,1,0,0,0,0|2,0,0]=4 727 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)N)F MCULE-9832382919 [1,1,0,0,0,0|2,0,0]=4 728 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)N)N MCULE-9900688838 [1,1,0,0,0,0|2,0,0]=4 729 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]=3 730 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)Cl MCULE-4935118102 [1,1,0,0,0,0|1,0,0]=3 731 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)F MCULE-3709153442 [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-2863430745 [1,1,0,0,0,0|0,0,0]=2 733 B15R1.5521 COC(=O)[C@H](N)CC1=CC(=C(C=C1)O)O MCULE-6047781856 [1,1,0,0,0,0|0,0,0]=2 734 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]=4 735 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]=4 736 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-1183533293 [1,1,0,0,0,0|2,0,0]=4 737 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-5032492547 [1,1,0,0,0,0|2,0,0]=4 738 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-5229216387 [1,1,0,0,0,0|2,0,0]=4 739 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)Cl)Cl MCULE-7410367632 [1,1,0,0,0,0|2,0,0]=4 740 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)F)C MCULE-3324937732 [1,1,0,0,0,0|2,0,0]=4 741 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)F)Cl MCULE-6960659911 [1,1,0,0,0,0|2,0,0]=4 742 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)N)C MCULE-5022248722 [1,1,0,0,0,0|2,0,0]=4 743 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)N)Cl MCULE-5953693165 [1,1,0,0,0,0|2,0,0]=4 744 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)N)F MCULE-2157522878 [1,1,0,0,0,0|2,0,0]=4 745 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)N)O MCULE-8782971236 [1,1,0,0,0,0|1,0,0]=3 746 B15R1.5521 COC(=O)[C@H](N)CC1=CC=C(C(=C1)O)F MCULE-2330341894 [1,1,0,0,0,0|1,0,0]=3 747 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]=4 748 B15R1.5521 [C@H](N)(CC1=CC(=C(C=C1)O)I)C(=O)OC MCULE-7708678960 [1,1,0,0,0,0|1,0,0]=3 749 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]=4 750 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]=4 751 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]=4 752 B15R1.8394 NC(CC1=C(C=C(C(=C1)F)Cl)Cl)C(=O)O MCULE-7145391789 [1,1,0,0,0,0|2,0,0]=4 753 B15R1.8394 NC(CC1=C(C=C(C(=C1)F)F)Cl)C(=O)O MCULE-1116682764 [1,1,0,0,0,0|2,0,0]=4 754 B15R1.8394 NC(CC1=C(C=C(C(=C1)F)F)F)C(=O)O MCULE-6343493919 [1,1,0,0,0,0|2,0,0]=4 755 B15R1.8394 NC(CC1=CC(=C(C=C1F)F)F)C(=O)O MCULE-8326420462 [1,1,0,0,0,0|2,0,0]=4 756 B15R1.8394 NC(CC1=CC(=C(C=C1O)O)O)C(=O)O MCULE-2477170525 [1,1,0,0,0,0|0,0,0]=2 757 B15R1.8394 N[C@@H](CC1=C(C=C(C(=C1)F)F)F)C(=O)O MCULE-2091586986 [1,1,0,0,0,0|2,0,0]=4 758 B15R1.8394 N[C@@H](CC1=CC(=C(C=C1F)F)F)C(=O)O MCULE-7936180190 [1,1,0,0,0,0|2,0,0]=4 759 B15R1.8394 N[C@@H](CC1=CC(=C(C=C1F)O)O)C(=O)O MCULE-4971741080 [1,1,0,0,0,0|0,0,0]=2 760 B15R1.8394 N[C@@H](CC1=CC(=C(C=C1O)O)O)C(=O)O MCULE-2121185408 [1,1,0,0,0,0|0,0,0]=2 761 B15R1.8394 N[C@@H](CC1=CC(=C(C=C1O)O)O)C(=O)O MCULE-2764183839 [1,1,0,0,0,0|0,0,0]=2 762 B15R1.8394 N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(=O)O MCULE-4668012728 [1,1,0,0,0,0|0,0,2]=4 763 B15R1.8394 N[C@H](CC1=C(C=C(C(=C1)F)F)F)C(=O)O MCULE-2602023932 [1,1,0,0,0,0|2,0,0]=4 764 B15R1.8394 N[C@H](CC1=CC(=C(C=C1F)F)F)C(=O)O MCULE-3943127837 [1,1,0,0,0,0|2,0,0]=4 765 B15R1.8408 CC1=CC=C(C(=C1F)F)CC(N)C(=O)O MCULE-2760507406 [1,1,0,0,0,0|2,0,0]=4 766 B15R1.8408 NC(CC1=CC=C(C(=C1F)Cl)F)C(=O)O MCULE-9921154176 [1,1,0,0,0,0|2,0,0]=4 767 B15R1.8408 NC(CC1=CC=C(C(=C1F)F)F)C(=O)O MCULE-6898813056 [1,1,0,0,0,0|2,0,0]=4 768 B15R1.8408 N[C@@H](CC1=CC=C(C(=C1Cl)Cl)O)C(=O)O MCULE-3118843241 [1,1,0,0,0,0|1,0,0]=3 769 B15R1.8408 N[C@@H](CC1=CC=C(C(=C1F)F)F)C(=O)O MCULE-3820738024 [1,1,0,0,0,0|2,0,0]=4 770 B15R1.8408 N[C@@H](CC1=CC=C(C(=C1F)F)F)C(=O)O MCULE-7675242651 [1,1,0,0,0,0|2,0,0]=4 771 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]=2 772 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]=2 773 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]=2 774 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]=2 775 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]=2 776 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]=2 777 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]=2 778 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]=2 779 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]=2 780 B15R1.28955 CC1=CC(=CC(=C1F)C)CC(N)C(=O)O MCULE-2595932920 [1,1,0,0,0,0|2,0,0]=4 781 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]=3 782 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]=3 783 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]=3 784 B15R1.28955 NC(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-5166640674 [1,1,0,0,0,0|1,0,0]=3 785 B15R1.28955 NC(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-8363391164 [1,1,0,0,0,0|1,0,0]=3 786 B15R1.28955 NC(CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-3334322632 [1,1,0,0,0,0|1,0,0]=3 787 B15R1.28955 NC(CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-3657815295 [1,1,0,0,0,0|1,0,0]=3 788 B15R1.28955 NC(CC1=CC(=C(C(=C1)F)Cl)F)C(=O)O MCULE-8327250714 [1,1,0,0,0,0|2,0,0]=4 789 B15R1.28955 NC(CC1=CC(=C(C(=C1)F)F)F)C(=O)O MCULE-8114290456 [1,1,0,0,0,0|2,0,0]=4 790 B15R1.28955 NC(CC1=CC(=C(C(=C1)F)F)F)C(=O)O MCULE-9431165804 [1,1,0,0,0,0|2,0,0]=4 791 B15R1.28955 NC(CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-8487991141 [1,1,0,0,0,0|1,0,0]=3 792 B15R1.28955 NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-1616749918 [1,1,0,0,0,0|1,0,0]=3 793 B15R1.28955 NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-1965639885 [1,1,0,0,0,0|1,0,0]=3 794 B15R1.28955 NC1=CC(=CC(=C1O)N)C[C@H](N)C(=O)O MCULE-5978028537 [1,1,0,0,0,0|1,0,0]=3 795 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-8410912496 [1,1,0,0,0,0|1,0,0]=3 796 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-9516823368 [1,1,0,0,0,0|1,0,0]=3 797 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-1219203098 [1,1,0,0,0,0|1,0,0]=3 798 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O MCULE-8663520163 [1,1,0,0,0,0|1,0,0]=3 799 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)F)F)C(=O)O MCULE-5585583266 [1,1,0,0,0,0|2,0,0]=4 800 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)F)F)C(=O)O MCULE-7846132575 [1,1,0,0,0,0|2,0,0]=4 801 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-4142079700 [1,1,0,0,0,0|1,0,0]=3 802 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-5983808972 [1,1,0,0,0,0|1,0,0]=3 803 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)F)O)F)C(=O)O MCULE-9134060130 [1,1,0,0,0,0|1,0,0]=3 804 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-2428039618 [1,1,0,0,0,0|1,0,0]=3 805 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-3219127934 [1,1,0,0,0,0|1,0,0]=3 806 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-6979596463 [1,1,0,0,0,0|1,0,0]=3 807 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O MCULE-7323663103 [1,1,0,0,0,0|1,0,0]=3 808 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)F)F)F)C(=O)O MCULE-1714567736 [1,1,0,0,0,0|2,0,0]=4 809 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)F)F)F)C(=O)O MCULE-2157251231 [1,1,0,0,0,0|2,0,0]=4 810 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)F)F)F)C(=O)O MCULE-2421337808 [1,1,0,0,0,0|2,0,0]=4 811 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-1037881535 [1,1,0,0,0,0|1,0,0]=3 812 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-2649053573 [1,1,0,0,0,0|1,0,0]=3 813 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-3002342156 [1,1,0,0,0,0|1,0,0]=3 814 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O MCULE-8023653344 [1,1,0,0,0,0|1,0,0]=3 815 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]=4 816 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]=4 817 B15R1.4029 COC1=CC(=CC=C1O)[C@@H](O)[C@@H](O)CO MCULE-5240137493 [1,1,0,0,0,0|1,0,1]=4 818 B15R1.4029 COC1=CC(=CC=C1O)[C@@H](O)[C@H](O)CO MCULE-9785680946 [1,1,0,0,0,0|1,0,1]=4 819 B17R1.4641 COC1=CC=C(C=C1OC)C(N)C(O)C(=O)O MCULE-3854935299 [0,2,0,0,0,0|2,0,0]=4 820 B17R1.4641 COC1=CC=C(C=C1OC)[C@@H](N)[C@@H](O)C(=O)O MCULE-7395413239 [0,2,0,0,0,0|2,0,0]=4 821 B17R1.4641 COC1=CC=C(C=C1OC)[C@H](N)[C@H](O)C(=O)O MCULE-7069745729 [0,2,0,0,0,0|2,0,0]=4 822 B17R1.17872 CCOC(=O)C(F)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-6586801954 [0,2,0,0,0,0|2,0,0]=4 823 B17R1.17872 CCOC(=O)C(F)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-7662530999 [0,2,0,0,0,0|2,0,0]=4 824 B17R1.17872 CCOC(=O)C(F)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-7726291909 [0,2,0,0,0,0|2,0,0]=4 825 B17R1.17872 CCOC(=O)C(F)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-9852520099 [0,2,0,0,0,0|2,0,0]=4 826 B17R1.140479 COC(=O)C(C)(C)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-7358191618 [0,2,0,0,0,0|2,0,0]=4 827 B17R1.140479 COC(=O)C(C)(C)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-9584085858 [0,2,0,0,0,0|2,0,0]=4 828 B17R1.140479 COC(=O)C(C)(C)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-2867477707 [0,2,0,0,0,0|2,0,0]=4 829 B17R1.140479 COC(=O)C(C)(C)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-9803066026 [0,2,0,0,0,0|2,0,0]=4 830 B15R2.18931 CC1=CC=C(C=C1)C2CC2(N)C(=O)O MCULE-8775662262 [1,0,0,1,0,0|2,0,0]=4 831 B15R2.18931 NC1(CC1C2=CC=C(C=C2)Br)C(=O)O MCULE-5779961608 [1,0,0,1,0,0|2,0,0]=4 832 B15R2.18931 NC1(CC1C2=CC=C(C=C2)Cl)C(=O)O MCULE-7064871357 [1,0,0,1,0,0|2,0,0]=4 833 B15R2.18931 NC1(CC1C2=CC=C(C=C2)F)C(=O)O MCULE-7077428567 [1,0,0,1,0,0|2,0,0]=4 834 B15R2.63893 NC1=C(C2=C(C=C(C=C2)O)OC1=O)O MCULE-6465004163 [1,0,0,1,0,0|0,0,2]=4 835 B15R2.63893 NC1=C(C2=C(C=C(C=C2)O)OC1=O)O MCULE-8245975845 [1,0,0,1,0,0|0,0,2]=4 836 B15R2.41966 CC1=CC(=CC=C1)C2CC2(N)C(=O)O MCULE-6354211737 [1,0,0,1,0,0|2,0,0]=4 837 B15R2.41966 NC1(CC1C2=CC(=CC=C2)O)C(=O)O MCULE-9553334449 [1,0,0,1,0,0|1,0,0]=3 838 B15R2.41966 NC1(CC1C2=CC=CC(=C2)Cl)C(=O)O MCULE-1109323867 [1,0,0,1,0,0|2,0,0]=4 839 B15R2.41966 NC1(CC1C2=CC=CC(=C2)F)C(=O)O MCULE-8431034458 [1,0,0,1,0,0|2,0,0]=4 840 B15R2.299 O=C1N[C@@H](CO1)C2=CC=C(C(=C2)O)O MCULE-4837906494 [1,0,0,1,0,0|2,0,0]=4 841 B15R2.299 O=C1N[C@@H](CO1)C2=CC=C(C(=C2)O)O MCULE-9707858312 [1,0,0,1,0,0|2,0,0]=4 842 B15R2.299 O=C1N[C@H](CO1)C2=CC=C(C(=C2)O)O MCULE-4595988362 [1,0,0,1,0,0|2,0,0]=4 843 B15R2.299 O=C1N[C@H](CO1)C2=CC=C(C(=C2)O)O MCULE-8286689439 [1,0,0,1,0,0|2,0,0]=4 844 B15R2.1102 O=C(O)C1=CC2=C(N1)C=C(C(=C2)O)O MCULE-1570636484 [1,0,0,1,0,0|0,0,2]=4 845 B15R2.62227 NC1CC2=C(C=C(C(=C2)O)O)OC1=O MCULE-4143419133 [1,0,0,1,0,0|0,0,0]=2 846 B15R2.62227 N[C@H]1CC2=C(C=C(C(=C2)O)O)OC1=O MCULE-9213968469 [1,0,0,1,0,0|0,0,0]=2 847 B15R2.62227 N[C@H]1CC2=C(C=C(C(=C2)O)O)OC1=O MCULE-9679632698 [1,0,0,1,0,0|0,0,0]=2 848 B15R2.62227 [NH3+]C1CC2=CC(=C(C=C2OC1=O)O)O MCULE-7086909276 [1,0,0,1,0,0|0,0,1]=3 849 B17R2.20012 NC(C(=O)O)C(O)C1=CC=C2OCOC2=C1 MCULE-3893068766 [0,1,0,1,0,0|0,0,0]=2 850 B17R2.20012 N[C@@H](C(=O)O)[C@@H](O)C1=CC=C2OCOC2=C1 MCULE-5240149943 [0,1,0,1,0,0|0,0,0]=2 851 B15R1.8272 NC(CC(=O)C1=CC=CC(=C1)O)C(=O)O MCULE-3368911420 [1,0,0,0,0,1|0,0,2]=4 852 B15R1.8272 NC(CC(O)C1=CC(=CC=C1)O)C(=O)O MCULE-2261641707 [1,0,0,0,0,1|0,0,0]=2 853 B15R1.8272 NC(CC(O)C1=CC=CC(=C1)O)C(=O)O MCULE-9822299439 [1,0,0,0,0,1|0,0,0]=2 854 B15R1.884 N[C@@H](CCC1=CC=C(C(=C1)Cl)Cl)C(=O)O MCULE-4563021269 [1,0,0,0,0,1|2,0,0]=4 855 B15R1.884 N[C@H](CCC1=CC=C(C(=C1)F)F)C(=O)O MCULE-9787536342 [1,0,0,0,0,1|2,0,0]=4