0 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC(=O)N1CCC(=N1)N MCULE-6589962377 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 CC(C)C1CCC(=O)N1 MCULE-4396910868 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 CC(C)C1COC(=O)N1 MCULE-1965076998 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 CC(C)C1COC(=O)N1 MCULE-2788936532 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-8463254156 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-9798698843 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1277886960 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1343977474 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 CC(C)[C@H]1CCC(=O)N1 MCULE-1275403270 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5403273241 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5661692505 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 CC1=CC=C(N1)C(=O)O MCULE-6987274204 [0,0,0,0,0,0|1,0,3]=4 23 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,0,0,0|1,0,1]=2 24 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,0,0,0|1,0,1]=2 25 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.35 CC1=NC(CS1)C(=O)[O-] MCULE-8494242040 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,0,0,0|1,0,1]=2 32 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,0,0,0|1,0,1]=2 33 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,0,0,0|1,0,1]=2 48 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,0,0,0|1,0,1]=2 49 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,0,0,0|1,0,1]=2 52 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,0,0,0|1,0,1]=2 53 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,0,0,0|1,0,1]=2 54 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,0,0,0|1,0,1]=2 55 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,0,0,0|1,0,1]=2 56 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,0,0,0|1,0,1]=2 57 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,0,0,0|1,0,1]=2 62 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,0,0,0|1,0,1]=2 63 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,0,0,0|1,0,1]=2 64 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,0,0,0|1,0,1]=2 65 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,0,0,0|3,0,1]=4 66 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,0,0,0|3,0,1]=4 69 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,0,0,0|1,0,0]=1 70 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,0,0,0|1,0,0]=1 72 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,0,0,0|1,0,0]=1 73 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.35 NC1=CC=C(N1)C(=O)O MCULE-5208029782 [0,0,0,0,0,0|1,0,3]=4 76 B9R1.35 NC1=NC(CS1)C(=O)O MCULE-3669823666 [0,0,0,0,0,0|2,0,1]=3 77 B9R1.35 NC1=NNC(N1)C(=O)O MCULE-8622860614 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.35 NC1=N[C@@H](CS1)C(=O)O MCULE-6192179870 [0,0,0,0,0,0|2,0,1]=3 79 B9R1.35 NC1=N[C@H](CS1)C(=O)O MCULE-7308504151 [0,0,0,0,0,0|2,0,1]=3 80 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,0,0,0|2,0,1]=3 81 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,0,0,0|2,0,1]=3 82 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,0,0,0|2,0,1]=3 85 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,0,0,0|2,0,1]=3 86 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,0,0,0|2,0,1]=3 87 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,0,0,0|2,0,1]=3 88 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,0,0,0|2,0,1]=3 89 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,0,0,0|2,0,1]=3 90 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,0,0,0|2,0,1]=3 91 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,0,0,0|2,0,1]=3 92 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,0,0,0|3,0,1]=4 93 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,0,0,0|3,0,1]=4 94 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,0,0,0|3,0,1]=4 98 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,0,0,0|3,0,1]=4 99 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,0,0,0|2,0,1]=3 101 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,0,0,0|2,0,1]=3 102 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,0,0,0|2,0,1]=3 103 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,0,0,0|2,0,1]=3 104 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,0,0,0|2,0,1]=3 105 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,0,0,0|2,0,1]=3 106 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,0,0,0|2,0,1]=3 107 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,0,0,0|2,0,1]=3 108 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,0,0,0|2,0,1]=3 109 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,0,0,0|2,0,1]=3 110 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,0,0,0|3,0,1]=4 111 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,0,0,0|3,0,1]=4 112 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,0,0,0|3,0,1]=4 113 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,0,0,0|3,0,1]=4 114 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,0,0,0|3,0,1]=4 115 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,0,0,0|3,0,1]=4 118 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,0,0,0|3,0,1]=4 119 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,0,0,0|1,0,3]=4 120 B9R1.35 O=C(O)C1=CC=C(N1)Br MCULE-7394837443 [0,0,0,0,0,0|1,0,3]=4 121 B9R1.35 O=C(O)C1=CC=C(N1)Cl MCULE-5770211324 [0,0,0,0,0,0|1,0,3]=4 122 B9R1.35 O=C(O)C1=CN=C(N1)Br MCULE-4474261991 [0,0,0,0,0,0|2,0,2]=4 123 B9R1.35 O=C(O)C1=CN=C(N1)Cl MCULE-4622360113 [0,0,0,0,0,0|2,0,2]=4 124 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,0,0,0|3,0,1]=4 128 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,0,0,0|2,0,2]=4 129 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,0,0,0|2,0,2]=4 130 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,0,0,0|2,1,1]=4 131 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,0,0,0|2,1,1]=4 132 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,0,0,0|2,0,1]=3 133 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,0,0,0|2,0,1]=3 134 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,0,0,0|1,0,2]=3 135 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,0,0,0,0,0|1,1,0]=2 136 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,0,0,0|2,0,2]=4 137 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,0,0,0|2,0,2]=4 138 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,0,0,0|2,1,1]=4 139 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,0,0,0|2,1,1]=4 140 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,0,0,0|1,0,2]=3 141 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,0,0,0|1,0,2]=3 142 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,0,0,0|1,0,2]=3 143 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,0,0,0,0,0|1,1,0]=2 144 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,0,0,0,0,0|1,1,0]=2 145 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,0,0,0|3,0,1]=4 146 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,0,0,0|3,0,1]=4 147 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,0,0,0|3,0,1]=4 148 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,0,0,0|3,0,1]=4 149 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,0,0,0|3,0,1]=4 150 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,0,0,0|3,0,1]=4 151 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,0,0,0|2,0,2]=4 152 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,0,0,0|2,0,2]=4 153 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,0,0,0|2,0,2]=4 154 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,0,0,0|2,0,2]=4 155 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,0,0,0|2,0,2]=4 156 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,0,0,0|2,1,1]=4 157 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,0,0,0|2,1,1]=4 158 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,0,0,0|2,1,1]=4 159 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,0,0,0|2,1,1]=4 160 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,0,0,0|3,0,1]=4 161 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,0,0,0|3,0,1]=4 162 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,0,0,0|3,0,1]=4 163 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,0,0,0|3,0,1]=4 164 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,0,0,0|2,0,2]=4 165 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,0,0,0|2,0,2]=4 166 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,0,0,0|2,0,2]=4 167 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,0,0,0|2,0,2]=4 168 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,0,0,0|2,1,1]=4 169 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,0,0,0|2,1,1]=4 170 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,0,0,0|2,1,1]=4 171 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,0,0,0|2,1,1]=4 172 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,0,0,0|2,1,1]=4 173 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,0,0,0|2,1,1]=4 174 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,0,0,0|1,0,2]=3 175 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,0,0,0|1,0,2]=3 176 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,0,0,0|1,0,2]=3 177 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,0,0,0|3,0,1]=4 178 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,0,0,0|3,0,1]=4 179 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,0,0,0|3,0,1]=4 180 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,0,0,0|2,0,2]=4 181 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,0,0,0|2,0,2]=4 182 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,0,0,0|2,0,2]=4 183 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,0,0,0|2,0,2]=4 184 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,0,0,0|2,0,2]=4 185 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,0,0,0|3,0,1]=4 186 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,0,0,0|3,0,1]=4 187 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,0,0,0|3,0,1]=4 188 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,0,0,0|3,0,1]=4 189 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,0,0,0|2,0,2]=4 190 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,0,0,0|2,0,2]=4 191 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,0,0,0|2,0,2]=4 192 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,0,0,0|2,0,2]=4 193 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,0,0,0|1,0,1]=2 194 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [0,0,0,0,0,0|3,0,1]=4 195 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,0,0,0,0|3,0,1]=4 196 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,0,0,0|2,0,0]=2 197 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,0,0,0|2,0,0]=2 198 B9R1.35 O=C1CC(CO1)P(=O)[O-] MCULE-1427817828 [0,0,0,0,0,0|3,0,1]=4 199 B9R1.35 O=C1CC(CO1)P(=O)[O-] MCULE-4673203835 [0,0,0,0,0,0|3,0,1]=4 200 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,0,0,0|2,0,0]=2 201 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,0,0,0|3,0,0]=3 202 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,0,0,0|1,0,0]=1 203 B9R1.35 O=C1CCC(C1)C(F)F MCULE-9141008537 [0,0,0,0,0,0|3,0,1]=4 204 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,0,0,0|1,0,0]=1 205 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,0,0,0|0,0,0]=0 206 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,0,0,0|0,0,0]=0 207 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,0,0,0|0,0,1]=1 208 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,0,0,0|1,0,0]=1 209 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,0,0,0|1,0,0]=1 210 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,0,0,0|1,0,0]=1 211 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,0,0,0|1,0,0]=1 212 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,0,0,0|0,0,0]=0 213 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,0,0,0|0,0,0]=0 214 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,0,0,0|2,0,0]=2 215 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,0,0,0|1,0,0]=1 216 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,0,0,0|1,0,0]=1 217 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,0,0,0|1,0,0]=1 218 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,0,0,0|1,0,0]=1 219 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,0,0,0|0,0,0]=0 220 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,0,0,0|0,0,0]=0 221 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,0,0,0|0,0,0]=0 222 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,0,0,0|0,0,1]=1 223 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,0,0,0|0,0,1]=1 224 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,0,0,0|2,0,0]=2 225 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,0,0,0|1,0,0]=1 226 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,0,0,0|1,0,0]=1 227 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,0,0,0|1,0,0]=1 228 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,0,0,0|2,0,0]=2 229 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,0,0,0|2,0,0]=2 230 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,0,0,0|2,0,0]=2 231 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,0,0,0|2,0,0]=2 232 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,0,0,0|2,0,0]=2 233 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,0,0,0|2,0,0]=2 234 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,0,0,0|2,0,0]=2 235 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,0,0,0|2,0,0]=2 236 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,0,0,0|2,0,0]=2 237 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,0,0,0|2,0,0]=2 238 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,0,0,0|2,0,0]=2 239 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,0,0,0|2,0,0]=2 240 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,0,0,0|2,0,0]=2 241 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,0,0,0|2,0,0]=2 242 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,0,0,0,0,0|1,0,2]=3 243 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,0,0,0,0,0|1,0,2]=3 244 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,0,0,0,0,0|2,0,1]=3 245 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,0,0,0|1,0,0]=1 246 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9276805254 [0,0,0,0,0,0|3,0,1]=4 247 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9991194163 [0,0,0,0,0,0|3,0,1]=4 248 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,0,0,0|1,0,0]=1 249 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,0,0,0,0|1,0,2]=3 250 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,0,0,0|2,0,2]=4 251 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,0,0,0|1,0,0]=1 252 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,0,0,0|2,0,0]=2 253 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,0,0,0|1,0,0]=1 254 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,0,0,0|1,0,0]=1 255 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,0,0,0|1,0,0]=1 256 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,0,0,0|1,0,0]=1 257 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,0,0,0|2,0,0]=2 258 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,0,0,0|2,0,0]=2 259 B9R1.35 O=C1NN=C(N1)C(=O)[O-] MCULE-6855966971 [0,0,0,0,0,0|2,0,2]=4 260 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,0,0,0|1,0,0]=1 261 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,0,0,0|1,0,0]=1 262 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-6542638611 [0,0,0,0,0,0|3,0,1]=4 263 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-9822122989 [0,0,0,0,0,0|3,0,1]=4 264 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,0,0,0|1,0,0]=1 265 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,0,0,0|1,0,0]=1 266 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,0,0,0|1,0,0]=1 267 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,0,0,0|1,0,0]=1 268 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,0,0,0|1,0,0]=1 269 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,0,0,0|2,0,0]=2 270 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,0,0,0|2,0,2]=4 271 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,0,0,0|2,0,1]=3 272 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,0,0,0|2,0,1]=3 273 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,0,0,0|3,0,1]=4 274 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,0,0,0|3,0,1]=4 275 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,0,0,0|2,1,1]=4 276 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,0,0,0|3,0,1]=4 277 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,0,0,0|3,0,1]=4 278 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,0,0,0|2,0,2]=4 279 B8R1.1 C#CC1COC(=O)N1 MCULE-7019791209 [1,0,0,0,0,0|2,0,1]=4 280 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-3103635703 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-7796064143 [1,0,0,0,0,0|2,0,1]=4 282 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-4375742729 [1,0,0,0,0,0|2,0,1]=4 283 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-5542662617 [1,0,0,0,0,0|2,0,1]=4 284 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [1,0,0,0,0,0|1,0,1]=3 285 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [1,0,0,0,0,0|1,0,1]=3 286 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [1,0,0,0,0,0|0,0,1]=2 287 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [1,0,0,0,0,0|2,0,1]=4 288 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [1,0,0,0,0,0|1,0,0]=2 289 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [1,0,0,0,0,0|3,0,0]=4 294 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [1,0,0,0,0,0|2,0,0]=3 295 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [1,0,0,0,0,0|2,0,0]=3 296 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [1,0,0,0,0,0|2,0,0]=3 297 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [1,0,0,0,0,0|2,0,0]=3 298 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [1,0,0,0,0,0|2,0,1]=4 299 B8R1.1 CC1CCC(N1)CO MCULE-7935473441 [1,0,0,0,0,0|1,0,2]=4 300 B8R1.1 CC1CCC(N1)CO MCULE-8743496847 [1,0,0,0,0,0|1,0,2]=4 301 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [1,0,0,0,0,0|2,0,1]=4 302 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [1,0,0,0,0,0|1,0,1]=3 303 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [1,0,0,0,0,0|2,0,1]=4 304 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [1,0,0,0,0,0|2,0,1]=4 307 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [1,0,0,0,0,0|2,0,1]=4 308 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [1,0,0,0,0,0|2,0,1]=4 309 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [1,0,0,0,0,0|2,0,1]=4 310 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [1,0,0,0,0,0|3,0,0]=4 311 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [1,0,0,0,0,0|2,0,0]=3 312 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-5635555767 [1,0,0,0,0,0|1,0,2]=4 313 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-7103292821 [1,0,0,0,0,0|1,0,2]=4 314 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8577607094 [1,0,0,0,0,0|1,0,2]=4 315 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8853557592 [1,0,0,0,0,0|1,0,2]=4 316 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-5943356667 [1,0,0,0,0,0|1,0,2]=4 317 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-6303404144 [1,0,0,0,0,0|1,0,2]=4 318 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [1,0,0,0,0,0|2,0,1]=4 319 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [1,0,0,0,0,0|2,0,1]=4 320 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [1,0,0,0,0,0|2,0,1]=4 321 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [1,0,0,0,0,0|1,0,1]=3 322 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [1,0,0,0,0,0|1,0,1]=3 323 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [1,0,0,0,0,0|1,0,1]=3 324 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [1,0,0,0,0,0|1,0,1]=3 325 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [1,0,0,0,0,0|2,0,1]=4 326 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [1,0,0,0,0,0|2,0,1]=4 327 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [1,0,0,0,0,0|2,0,1]=4 328 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [1,0,0,0,0,0|2,0,1]=4 329 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [1,0,0,0,0,0|1,0,1]=3 330 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [1,0,0,0,0,0|1,0,1]=3 331 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [1,0,0,0,0,0|1,0,1]=3 332 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [1,0,0,0,0,0|1,0,1]=3 333 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [1,0,0,0,0,0|1,0,1]=3 334 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [1,0,0,0,0,0|1,0,1]=3 335 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [1,0,0,0,0,0|1,0,1]=3 336 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [1,0,0,0,0,0|1,0,1]=3 337 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [1,0,0,0,0,0|2,0,1]=4 338 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [1,0,0,0,0,0|2,0,1]=4 339 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [1,0,0,0,0,0|2,0,1]=4 340 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [1,0,0,0,0,0|2,0,1]=4 341 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [1,0,0,0,0,0|2,0,1]=4 342 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [1,0,0,0,0,0|1,0,1]=3 343 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [1,0,0,0,0,0|1,0,1]=3 344 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [1,0,0,0,0,0|1,0,1]=3 345 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [1,0,0,0,0,0|0,0,1]=2 346 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [1,0,0,0,0,0|2,0,1]=4 347 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [1,0,0,0,0,0|2,0,1]=4 348 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [1,0,0,0,0,0|2,0,1]=4 349 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [1,0,0,0,0,0|1,0,1]=3 350 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [1,0,0,0,0,0|1,0,1]=3 351 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [1,0,0,0,0,0|1,0,1]=3 352 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [1,0,0,0,0,0|1,0,1]=3 353 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [1,0,0,0,0,0|1,0,1]=3 354 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [1,0,0,0,0,0|1,0,1]=3 355 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [1,0,0,0,0,0|0,0,1]=2 356 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [1,0,0,0,0,0|0,0,1]=2 357 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [1,0,0,0,0,0|1,0,1]=3 358 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [1,0,0,0,0,0|1,0,1]=3 359 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [1,0,0,0,0,0|1,0,1]=3 360 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [1,0,0,0,0,0|1,0,1]=3 361 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [1,0,0,0,0,0|0,0,1]=2 362 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [1,0,0,0,0,0|0,0,1]=2 363 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [1,0,0,0,0,0|1,0,1]=3 364 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [1,0,0,0,0,0|1,0,1]=3 365 B8R1.1 O=C1CS/C(=N/O)/N1 MCULE-9299576383 [1,0,0,0,0,0|2,0,1]=4 366 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [1,0,0,0,0,0|2,0,1]=4 367 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [1,0,0,0,0,0|2,0,1]=4 368 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [1,0,0,0,0,0|2,0,1]=4 369 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [1,0,0,0,0,0|2,0,1]=4 370 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [1,0,0,0,0,0|1,0,1]=3 371 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [1,0,0,0,0,0|1,0,1]=3 372 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [1,0,0,0,0,0|2,0,1]=4 373 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [1,0,0,0,0,0|2,0,1]=4 374 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [1,0,0,0,0,0|2,0,1]=4 375 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [1,0,0,0,0,0|2,0,1]=4 376 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [1,0,0,0,0,0|2,0,1]=4 377 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [1,0,0,0,0,0|1,0,1]=3 378 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [1,0,0,0,0,0|1,0,1]=3 379 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [1,0,0,0,0,0|2,0,1]=4 380 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [1,0,0,0,0,0|2,0,1]=4 381 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [1,0,0,0,0,0|1,0,1]=3 382 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [1,0,0,0,0,0|1,0,1]=3 383 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [1,0,0,0,0,0|2,0,1]=4 384 B8R1.1 O=CC1=CNC(=O)N1 MCULE-9682504518 [1,0,0,0,0,0|1,0,2]=4 385 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [1,0,0,0,0,0|2,0,0]=3 386 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [1,0,0,0,0,0|3,0,0]=4 387 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [1,0,0,0,0,0|1,0,1]=3 388 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [1,0,0,0,0,0|1,0,1]=3 389 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [1,0,0,0,0,0|3,0,0]=4 390 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [1,0,0,0,0,0|3,0,0]=4 391 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,0,0,0|2,0,0]=3 392 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,0,0,0|2,0,0]=3 393 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,0,0,0|2,0,0]=3 394 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [1,0,0,0,0,0|1,0,1]=3 395 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [1,0,0,0,0,0|2,0,1]=4 396 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [1,0,0,0,0,0|1,0,1]=3 397 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [1,0,0,0,0,0|1,0,1]=3 398 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [1,0,0,0,0,0|2,0,1]=4 399 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [1,0,0,0,0,0|3,0,0]=4 400 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [1,0,0,0,0,0|3,0,0]=4 401 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [1,0,0,0,0,0|3,0,0]=4 402 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [1,0,0,0,0,0|2,0,1]=4 403 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [1,0,0,0,0,0|2,0,1]=4 404 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [1,0,0,0,0,0|1,0,1]=3 405 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [1,0,0,0,0,0|1,0,1]=3 406 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [1,0,0,0,0,0|1,0,1]=3 407 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [1,0,0,0,0,0|1,0,1]=3 408 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [1,0,0,0,0,0|2,0,1]=4 409 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [1,0,0,0,0,0|2,0,1]=4 410 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [1,0,0,0,0,0|1,0,1]=3 411 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [1,0,0,0,0,0|1,0,1]=3 412 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [1,0,0,0,0,0|2,0,1]=4 413 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5014228849 [1,0,0,0,0,0|1,0,2]=4 414 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5063876687 [1,0,0,0,0,0|1,0,2]=4 415 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [1,0,0,0,0,0|2,0,1]=4 416 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [1,0,0,0,0,0|2,0,1]=4 417 B8R1.7 NC(=O)C1CC=CC1 MCULE-5556484257 [1,0,0,0,0,0|2,0,1]=4 418 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [1,0,0,0,0,0|2,0,1]=4 419 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [1,0,0,0,0,0|1,0,1]=3 420 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [1,0,0,0,0,0|1,0,1]=3 421 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [1,0,0,0,0,0|2,0,1]=4 422 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [1,0,0,0,0,0|3,0,0]=4 423 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [1,0,0,0,0,0|3,0,0]=4 424 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [1,0,0,0,0,0|3,0,0]=4 425 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [1,0,0,0,0,0|2,0,1]=4 426 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [1,0,0,0,0,0|3,0,0]=4 427 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [1,0,0,0,0,0|3,0,0]=4 428 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [1,0,0,0,0,0|3,0,0]=4 429 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [1,0,0,0,0,0|3,0,0]=4 430 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [1,0,0,0,0,0|1,0,1]=3 431 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [1,0,0,0,0,0|1,0,1]=3 432 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [1,0,0,0,0,0|1,0,1]=3 433 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [1,0,0,0,0,0|1,0,1]=3 434 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [1,0,0,0,0,0|2,0,1]=4 435 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [1,0,0,0,0,0|2,0,1]=4 436 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [1,0,0,0,0,0|3,0,0]=4 437 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [1,0,0,0,0,0|3,0,0]=4 438 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [1,0,0,0,0,0|3,0,0]=4 439 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [1,0,0,0,0,0|3,0,0]=4 440 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [1,0,0,0,0,0|1,0,1]=3 441 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [1,0,0,0,0,0|1,0,1]=3 442 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [1,0,0,0,0,0|1,0,1]=3 443 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [1,0,0,0,0,0|1,0,1]=3 444 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [1,0,0,0,0,0|3,0,0]=4 445 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [1,0,0,0,0,0|3,0,0]=4 446 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [1,0,0,0,0,0|3,0,0]=4 447 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [1,0,0,0,0,0|3,0,0]=4 448 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [1,0,0,0,0,0|3,0,0]=4 449 B8R1.7 O=C(Cl)C1CC=CC1 MCULE-8148758182 [1,0,0,0,0,0|2,0,1]=4 450 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [1,0,0,0,0,0|2,0,1]=4 451 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [1,0,0,0,0,0|2,0,1]=4 452 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [1,0,0,0,0,0|3,0,0]=4 453 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [1,0,0,0,0,0|0,0,3]=4 454 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [1,0,0,0,0,0|1,0,2]=4 455 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [1,0,0,0,0,0|2,0,1]=4 456 B8R1.7 O=C(O)C1=NC=CN1 MCULE-2287559596 [1,0,0,0,0,0|1,0,2]=4 457 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [1,0,0,0,0,0|0,0,3]=4 458 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [1,0,0,0,0,0|1,0,2]=4 459 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,0,0,0|1,0,0]=2 460 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [1,0,0,0,0,0|2,0,0]=3 461 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [1,0,0,0,0,0|2,0,0]=3 462 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [1,0,0,0,0,0|2,0,0]=3 463 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [1,0,0,0,0,0|2,0,0]=3 464 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [1,0,0,0,0,0|2,0,0]=3 465 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,0,0,0|1,0,1]=3 466 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,0,0,0|0,0,1]=2 467 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,0,0,0|1,0,1]=3 468 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,0,0,0|0,0,1]=2 469 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,0,0,0|0,0,1]=2 470 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,0,0,0|0,0,1]=2 471 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,0,0,0|0,0,1]=2 472 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,0,0,0|1,0,1]=3 473 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,0,0,0|1,0,1]=3 474 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,0,0,0|1,0,1]=3 475 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,0,0,0|2,0,0]=3 476 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,0,0,0|2,0,0]=3 477 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,0,0,0|2,0,0]=3 478 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,0,0,0|2,0,0]=3 479 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,0,0,0|2,0,0]=3 480 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,0,0,0|1,0,1]=3 481 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,0,0,0|1,0,1]=3 482 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,0,0,0|1,0,1]=3 483 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,0,0,0|1,0,1]=3 484 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [1,0,0,0,0,0|3,0,0]=4 485 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [1,0,0,0,0,0|1,0,1]=3 486 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [1,0,0,0,0,0|2,0,1]=4 487 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [1,0,0,0,0,0|2,0,1]=4 488 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [1,0,0,0,0,0|2,0,0]=3 489 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [1,0,0,0,0,0|2,0,0]=3 490 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [1,0,0,0,0,0|2,0,0]=3 491 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [1,0,0,0,0,0|2,0,0]=3 492 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,0,0,0|0,0,1]=2 493 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,0,0,0|0,0,1]=2 494 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,0,0,0|0,0,1]=2 495 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,0,0,0|0,0,1]=2 496 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,0,0,0|1,0,1]=3 497 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,0,0,0|1,0,1]=3 498 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,0,0,0|2,0,0]=3 499 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,0,0,0|2,0,0]=3 500 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,0,0,0|2,0,0]=3 501 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,0,0,0|2,0,0]=3 502 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,0,0,0|2,0,0]=3 503 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,0,0,0|2,0,0]=3 504 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,0,0,0|1,0,1]=3 505 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,0,0,0|1,0,1]=3 506 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,0,0,0|1,0,1]=3 507 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,0,0,0|1,0,1]=3 508 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,0,0,0|1,0,1]=3 509 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,0,0,0|1,0,1]=3 510 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [1,0,0,0,0,0|2,0,0]=3 511 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [1,0,0,0,0,0|2,0,0]=3 512 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [1,0,0,0,0,0|2,0,0]=3 513 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,0,0,0|0,0,1]=2 514 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,0,0,0|0,0,1]=2 515 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,0,0,0|1,0,1]=3 516 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,0,0,0|1,0,1]=3 517 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,0,0,0|2,0,0]=3 518 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,0,0,0|2,0,0]=3 519 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,0,0,0|2,0,0]=3 520 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,0,0,0|2,0,0]=3 521 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,0,0,0|2,0,0]=3 522 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,0,0,0|2,0,0]=3 523 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,0,0,0|1,0,1]=3 524 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,0,0,0|1,0,1]=3 525 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [1,0,0,0,0,0|0,0,2]=3 526 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [1,0,0,0,0,0|0,0,2]=3 527 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [1,0,0,0,0,0|1,0,2]=4 528 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [1,0,0,0,0,0|0,0,2]=3 529 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [1,0,0,0,0,0|0,0,2]=3 530 B8R1.7 OB(O)C1CCCN1 MCULE-5123578937 [1,0,0,0,0,0|1,0,2]=4 531 B8R1.7 OB(O)C1CCCN1 MCULE-6072524963 [1,0,0,0,0,0|1,0,2]=4 532 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [1,0,0,0,0,0|1,0,2]=4 533 B10R1.14 C1(CCC(=O)C1)C(=O)OC MCULE-8334918383 [0,1,0,0,0,0|1,0,0]=2 534 B10R1.14 C1(CCC(=O)N1)C(=O)OC MCULE-5897242243 [0,1,0,0,0,0|0,0,0]=1 535 B10R1.14 C=C1CNC(C1)C(=O)OC MCULE-4635683717 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.14 C=C1CNC(C1)C(=O)OC MCULE-9917502383 [0,1,0,0,0,0|3,0,0]=4 537 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-2960661877 [0,1,0,0,0,0|3,0,0]=4 538 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-3356870567 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-5709460460 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-5969395974 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.14 CNC(=S)N1CCC(=O)N1 MCULE-4815837588 [0,1,0,0,0,0|2,1,0]=4 542 B10R1.14 COC(=O)C1=CC(=O)CC1 MCULE-9756040651 [0,1,0,0,0,0|1,0,1]=3 543 B10R1.14 COC(=O)C1=CNC(=O)N1 MCULE-4492175408 [0,1,0,0,0,0|1,0,2]=4 544 B10R1.14 COC(=O)C1=NNC(=O)N1 MCULE-2519552725 [0,1,0,0,0,0|2,0,1]=4 545 B10R1.14 COC(=O)C1C=CC(=O)C1 MCULE-4348671758 [0,1,0,0,0,0|1,0,2]=4 546 B10R1.14 COC(=O)C1CC(=O)CO1 MCULE-2471814999 [0,1,0,0,0,0|2,0,0]=3 547 B10R1.14 COC(=O)C1CCC(=O)C1 MCULE-5952382453 [0,1,0,0,0,0|1,0,0]=2 548 B10R1.14 COC(=O)C1CCC(=O)N1 MCULE-2849406517 [0,1,0,0,0,0|0,0,0]=1 549 B10R1.14 COC(=O)C1CCC(=O)O1 MCULE-7228187740 [0,1,0,0,0,0|1,0,0]=2 550 B10R1.14 COC(=O)C1CCC(=S)N1 MCULE-8993064502 [0,1,0,0,0,0|0,1,0]=2 551 B10R1.14 COC(=O)C1CCC(C1)Br MCULE-4292905898 [0,1,0,0,0,0|2,0,1]=4 552 B10R1.14 COC(=O)C1CCC(C1)N MCULE-2002050883 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.14 COC(=O)C1CCC(C1)N MCULE-6014010462 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.14 COC(=O)C1CCC(C1)O MCULE-3475456621 [0,1,0,0,0,0|1,0,2]=4 555 B10R1.14 COC(=O)C1CCN(C1)C MCULE-5692618208 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.14 COC(=O)C1CNC(=O)C1 MCULE-5678646707 [0,1,0,0,0,0|2,0,0]=3 557 B10R1.14 COC(=O)C1CNC(=O)O1 MCULE-2096777093 [0,1,0,0,0,0|2,0,0]=3 558 B10R1.14 COC(=O)C1COC(=N1)C MCULE-1326670176 [0,1,0,0,0,0|2,0,1]=4 559 B10R1.14 COC(=O)C1COC(=O)N1 MCULE-5827623021 [0,1,0,0,0,0|1,0,0]=2 560 B10R1.14 COC(=O)C1CSC(=N1)C MCULE-4678432403 [0,1,0,0,0,0|2,0,1]=4 561 B10R1.14 COC(=O)N1CCC(=O)C1 MCULE-3207036153 [0,1,0,0,0,0|2,0,0]=3 562 B10R1.14 COC(=O)[C@@H]1CCC(=N1)S MCULE-7178838444 [0,1,0,0,0,0|0,1,1]=3 563 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-7952909342 [0,1,0,0,0,0|1,0,0]=2 564 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-8638772412 [0,1,0,0,0,0|1,0,0]=2 565 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-6776274122 [0,1,0,0,0,0|0,0,0]=1 566 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-8837580582 [0,1,0,0,0,0|0,0,0]=1 567 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 MCULE-7346796735 [0,1,0,0,0,0|1,0,0]=2 568 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-5290595526 [0,1,0,0,0,0|2,0,1]=4 569 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-5583492414 [0,1,0,0,0,0|2,0,1]=4 570 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7887655347 [0,1,0,0,0,0|2,0,1]=4 571 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8575060963 [0,1,0,0,0,0|2,0,1]=4 572 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-2058582855 [0,1,0,0,0,0|1,0,2]=4 573 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-5432347510 [0,1,0,0,0,0|1,0,2]=4 574 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-1643472314 [0,1,0,0,0,0|2,0,1]=4 575 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-1990922940 [0,1,0,0,0,0|2,0,1]=4 576 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-6782857130 [0,1,0,0,0,0|2,0,1]=4 577 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-9884963881 [0,1,0,0,0,0|2,0,1]=4 578 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-1118474224 [0,1,0,0,0,0|1,0,2]=4 579 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-9373995272 [0,1,0,0,0,0|1,0,2]=4 580 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 MCULE-9225925550 [0,1,0,0,0,0|2,0,0]=3 581 B10R1.14 COC(=O)[C@@H]1CNC(=O)N1 MCULE-4832270504 [0,1,0,0,0,0|1,0,0]=2 582 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-1667021734 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-9531113453 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 MCULE-6173112740 [0,1,0,0,0,0|1,0,0]=2 585 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-6859943891 [0,1,0,0,0,0|1,0,0]=2 586 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-7172592478 [0,1,0,0,0,0|1,0,0]=2 587 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-7163955131 [0,1,0,0,0,0|0,0,0]=1 588 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-8190805012 [0,1,0,0,0,0|0,0,0]=1 589 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-2949058133 [0,1,0,0,0,0|1,0,0]=2 590 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-7663400355 [0,1,0,0,0,0|1,0,0]=2 591 B10R1.14 COC(=O)[C@H]1CCC(=S)N1 MCULE-1412233687 [0,1,0,0,0,0|0,1,0]=2 592 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)Br MCULE-4639654853 [0,1,0,0,0,0|2,0,1]=4 593 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)Br MCULE-7552610243 [0,1,0,0,0,0|2,0,1]=4 594 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-3698760557 [0,1,0,0,0,0|2,0,1]=4 595 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-6035569341 [0,1,0,0,0,0|2,0,1]=4 596 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-7728824085 [0,1,0,0,0,0|2,0,1]=4 597 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-9095267083 [0,1,0,0,0,0|2,0,1]=4 598 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)O MCULE-5555455830 [0,1,0,0,0,0|1,0,2]=4 599 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-1428316255 [0,1,0,0,0,0|2,0,1]=4 600 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-1825834657 [0,1,0,0,0,0|2,0,1]=4 601 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-2834462513 [0,1,0,0,0,0|2,0,1]=4 602 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-5809473178 [0,1,0,0,0,0|2,0,1]=4 603 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-6051273141 [0,1,0,0,0,0|2,0,1]=4 604 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-6835025811 [0,1,0,0,0,0|2,0,1]=4 605 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-5194030962 [0,1,0,0,0,0|1,0,2]=4 606 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9211450556 [0,1,0,0,0,0|1,0,2]=4 607 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9901379045 [0,1,0,0,0,0|1,0,2]=4 608 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 MCULE-9231955159 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-1359293106 [0,1,0,0,0,0|1,0,0]=2 610 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-8105273052 [0,1,0,0,0,0|1,0,0]=2 611 B10R1.14 NCC(=O)N1CCC(=O)C1 MCULE-2201642206 [0,1,0,0,0,0|3,0,0]=4 612 B10R1.14 NNC(=O)C1CCC(=O)N1 MCULE-1320186983 [0,1,0,0,0,0|1,0,0]=2 613 B10R1.14 O=C1CCN(C1)C(=O)CCl MCULE-5414041375 [0,1,0,0,0,0|3,0,0]=4 614 B10R1.14 [C@@H]1(CNC(=O)C1)C(=O)OC MCULE-5277165389 [0,1,0,0,0,0|2,0,0]=3 615 B10R1.14 [C@H]1(CCC(=O)O1)C(=O)OC MCULE-8761301192 [0,1,0,0,0,0|1,0,0]=2 616 B10R1.14 [C@H]1(CCC(=S)N1)C(=O)OC MCULE-6420555771 [0,1,0,0,0,0|0,1,0]=2 617 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)Br MCULE-3396007386 [0,1,0,0,0,0|2,0,1]=4 618 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)N MCULE-4947096311 [0,1,0,0,0,0|2,0,1]=4 619 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)N MCULE-6857998793 [0,1,0,0,0,0|2,0,1]=4 620 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)O MCULE-9908119773 [0,1,0,0,0,0|1,0,2]=4 621 B10R1.14 [C@H]1(CNC(=O)C1)C(=O)OC MCULE-1672375650 [0,1,0,0,0,0|2,0,0]=3 622 B10R1.14 [C@H]1(COC(=O)N1)C(=O)OC MCULE-6209661780 [0,1,0,0,0,0|1,0,0]=2 623 B10R1.31 C1(NC(CS1)C(=O)O)CC MCULE-6124427567 [0,1,0,0,0,0|2,0,1]=4 624 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9089135115 [0,1,0,0,0,0|1,0,1]=3 625 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9951781675 [0,1,0,0,0,0|1,0,1]=3 626 B10R1.31 CCC1NC(CS1)C(=O)O MCULE-2037916598 [0,1,0,0,0,0|2,0,1]=4 627 B10R1.31 CCN1CCC(C1)C(=O)O MCULE-6987605321 [0,1,0,0,0,0|3,0,0]=4 628 B10R1.31 COC1CCC(C1)C(=O)O MCULE-5189432372 [0,1,0,0,0,0|1,0,2]=4 629 B10R1.31 CO[C@H]1CC[C@@H](C1)C(=O)O MCULE-8255434197 [0,1,0,0,0,0|1,0,2]=4 630 B10R1.31 CO[C@H]1CC[C@H](C1)C(=O)O MCULE-3942607370 [0,1,0,0,0,0|1,0,2]=4 631 B10R1.31 O=C(O)C1CCC(=NO)C1 MCULE-1447348290 [0,1,0,0,0,0|1,0,1]=3 632 B10R1.31 O=CC1=CC=C(N1)C(=O)O MCULE-8388790868 [0,1,0,0,0,0|0,0,3]=4 633 B10R1.55 O=C1CCC(N1)C(F)(F)F MCULE-6276315701 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.55 O=C1CCC(N1)C(F)(F)F MCULE-9529533958 [0,1,0,0,0,0|2,0,1]=4 635 B10R1.55 O=C1CC[C@@H](N1)C(F)(F)F MCULE-1931715673 [0,1,0,0,0,0|2,0,1]=4 636 B10R1.55 O=C1CC[C@@H](N1)C(F)(F)F MCULE-4668383966 [0,1,0,0,0,0|2,0,1]=4 637 B10R1.55 O=C1CC[C@H](N1)C(F)(F)F MCULE-5330925217 [0,1,0,0,0,0|2,0,1]=4 638 B10R1.55 O=C1CC[C@H](N1)C(F)(F)F MCULE-7575576176 [0,1,0,0,0,0|2,0,1]=4 639 B10R1.58 CN1C=C(NC1=O)C(=O)O MCULE-2401585728 [0,1,0,0,0,0|1,0,2]=4 640 B10R1.58 CN1CC(CC1=O)C(=O)Cl MCULE-9051911562 [0,1,0,0,0,0|3,0,0]=4 641 B10R1.58 CN1CC(CC1=O)C(=O)N MCULE-2567228609 [0,1,0,0,0,0|3,0,0]=4 642 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,1,0,0,0,0|2,0,0]=3 643 B10R1.58 CN1CC(NC1=O)C(=O)O MCULE-5672121272 [0,1,0,0,0,0|1,0,0]=2 644 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [0,1,0,0,0,0|2,0,0]=3 645 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,1,0,0,0,0|2,0,0]=3 646 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-2436172057 [0,1,0,0,0,0|1,0,0]=2 647 B10R1.58 CN1C[C@H](NC1=O)C(=O)O MCULE-8618404133 [0,1,0,0,0,0|1,0,0]=2 648 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,1,0,0,0,0|1,0,2]=4 649 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,1,0,0,0,0|1,0,2]=4 650 B10R1.58 O=C(O)C1CC(=O)N(C1)O MCULE-1951815385 [0,1,0,0,0,0|2,0,0]=3 651 B10R1.58 O=C(O)C1CC(C(C1)Br)Br MCULE-6168529373 [0,1,0,0,0,0|2,0,1]=4 652 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,1,0,0,0,0|0,0,0]=1 653 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,1,0,0,0,0|0,0,0]=1 654 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,1,0,0,0,0|0,0,0]=1 655 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,1,0,0,0,0|0,0,0]=1 656 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,1,0,0,0,0|0,0,0]=1 657 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [0,1,0,0,0,0|2,0,0]=3 658 B10R1.59 CC1=C(NC(=O)N1)C(=O)O MCULE-4489172846 [0,1,0,0,0,0|1,0,2]=4 659 B10R1.59 CC1=C(NC(=O)O1)C(=O)O MCULE-3936623227 [0,1,0,0,0,0|1,0,2]=4 660 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,1,0,0,0,0|0,0,0]=1 661 B10R1.59 CC1CC(C(O1)C(=O)O)C MCULE-6609295709 [0,1,0,0,0,0|2,0,1]=4 662 B10R1.59 CC1NC(=O)CC1C(=O)O MCULE-1109266882 [0,1,0,0,0,0|2,0,0]=3 663 B10R1.59 CC1OC(=O)NC1C(=O)O MCULE-7595794618 [0,1,0,0,0,0|1,0,0]=2 664 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-1720509184 [0,1,0,0,0,0|3,0,0]=4 665 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-3806344360 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,1,0,0,0,0|0,0,0]=1 667 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,1,0,0,0,0|0,0,0]=1 668 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,1,0,0,0,0|0,0,0]=1 669 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,1,0,0,0,0|0,0,0]=1 670 B10R1.59 O=C1CC(C(=O)N1)C(=O)O MCULE-7458355147 [0,1,0,0,0,0|2,0,1]=4 671 B10R1.194 CC(=O)C1COC(=O)C1=O MCULE-4315376279 [0,1,0,0,0,0|3,0,0]=4 672 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,1,0,0,0,0|2,0,0]=3 673 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-3080880087 [0,1,0,0,0,0|3,0,0]=4 674 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-8463571511 [0,1,0,0,0,0|3,0,0]=4 675 B10R1.194 CC1CCC(N1C)C(=O)O MCULE-1631473352 [0,1,0,0,0,0|1,0,1]=3 676 B10R1.194 CN1C(=O)CCC1C(=O)N MCULE-8391012645 [0,1,0,0,0,0|1,0,0]=2 677 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-1836057812 [0,1,0,0,0,0|0,0,0]=1 678 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-7449426037 [0,1,0,0,0,0|0,0,0]=1 679 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-5515047051 [0,1,0,0,0,0|0,0,0]=1 680 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-6485454128 [0,1,0,0,0,0|0,0,0]=1 681 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-7960298498 [0,1,0,0,0,0|0,0,0]=1 682 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-9649189424 [0,1,0,0,0,0|0,0,0]=1 683 B10R1.194 CN1C(=O)NC=C1C(=O)O MCULE-5867936313 [0,1,0,0,0,0|1,0,2]=4 684 B10R1.194 CN1C(=O)NCC1C(=O)O MCULE-2621049135 [0,1,0,0,0,0|1,0,0]=2 685 B10R1.194 CN1C(=O)OCC1C(=O)O MCULE-8242069751 [0,1,0,0,0,0|1,0,0]=2 686 B10R1.194 CN1CCC(C1=O)C(=O)O MCULE-9291039298 [0,1,0,0,0,0|3,0,0]=4 687 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5064787674 [0,1,0,0,0,0|1,0,1]=3 688 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5375480697 [0,1,0,0,0,0|1,0,1]=3 689 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-1037781010 [0,1,0,0,0,0|3,0,0]=4 690 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-5608694177 [0,1,0,0,0,0|3,0,0]=4 691 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-2143702379 [0,1,0,0,0,0|1,0,1]=3 692 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-3730566868 [0,1,0,0,0,0|1,0,1]=3 693 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-7974927719 [0,1,0,0,0,0|1,0,1]=3 694 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-9806319171 [0,1,0,0,0,0|1,0,1]=3 695 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 MCULE-7502084743 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,1,0,0,0,0|2,0,1]=4 697 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,1,0,0,0,0|1,0,1]=3 698 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,1,0,0,0,0|1,0,1]=3 699 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,1,0,0,0,0|2,0,1]=4 700 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-3628976485 [0,1,0,0,0,0|2,0,1]=4 701 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-9763318604 [0,1,0,0,0,0|2,0,1]=4 702 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-5428000366 [0,1,0,0,0,0|2,0,1]=4 703 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-6914291473 [0,1,0,0,0,0|2,0,1]=4 704 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-8499487712 [0,1,0,0,0,0|2,0,1]=4 705 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-9591174443 [0,1,0,0,0,0|2,0,1]=4 706 B10R1.359 CC1(N[C@H](CS1)C(=O)O)C MCULE-1864127233 [0,1,0,0,0,0|2,0,1]=4 707 B10R1.359 O=C(O)C1CCC(C1)(F)F MCULE-3866141496 [0,1,0,0,0,0|2,0,1]=4 708 B10R1.359 O=C(O)C1CCC(C1)(F)F MCULE-9447411120 [0,1,0,0,0,0|2,0,1]=4 709 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [0,1,0,0,0,0|2,0,0]=3 710 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,1,0,0,0,0|1,0,0]=2 711 B10R1.359 O=C(O)[C@@H]1CCC(C1)(F)F MCULE-1982062527 [0,1,0,0,0,0|2,0,1]=4 712 B10R1.359 O=C(O)[C@@H]1CCC(C1)(F)F MCULE-8436417104 [0,1,0,0,0,0|2,0,1]=4 713 B10R1.359 O=C(O)[C@H]1CCC(C1)(F)F MCULE-1884661502 [0,1,0,0,0,0|2,0,1]=4 714 B10R1.359 O=C(O)[C@H]1CCC(C1)(F)F MCULE-4373169739 [0,1,0,0,0,0|2,0,1]=4 715 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,0,0,0|1,0,0]=2 716 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,1,0,0,0,0|0,0,0]=1 717 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,1,0,0,0,0|1,0,0]=2 718 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-5009717504 [0,1,0,0,0,0|2,0,1]=4 719 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-6646895058 [0,1,0,0,0,0|2,0,1]=4 720 B10R1.470 CC1(CNC(=O)C1)C(=O)O MCULE-2188595466 [0,1,0,0,0,0|2,0,0]=3 721 B10R1.470 CC1CCC(C1)(C)C(=O)O MCULE-3638409630 [0,1,0,0,0,0|2,0,1]=4 722 B10R1.470 CN1CCC(C1)(C)C(=O)O MCULE-3111826192 [0,1,0,0,0,0|3,0,0]=4 723 B10R1.470 CN1CCC(C1)(F)C(=O)O MCULE-3877912842 [0,1,0,0,0,0|3,0,0]=4 724 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,1,0,0,0,0|0,0,0]=1 725 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,1,0,0,0,0|0,0,0]=1 726 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,1,0,0,0,0|0,0,0]=1 727 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,1,0,0,0,0|0,0,0]=1 728 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-1564321784 [0,1,0,0,0,0|2,0,1]=4 729 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-3542104690 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,0,1,0,0,0|1,0,1]=3 731 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,0,1,0,0,0|2,0,1]=4 732 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,0,1,0,0,0|1,0,1]=3 733 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,0,1,0,0,0|1,0,1]=3 734 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,0,1,0,0,0|1,0,1]=3 735 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,0,1,0,0,0|1,0,1]=3 736 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,0,1,0,0,0|1,0,1]=3 737 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,0,1,0,0,0|1,0,1]=3 738 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,0,1,0,0,0|2,0,1]=4 739 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,0,1,0,0,0|2,0,1]=4 740 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,0,1,0,0,0|2,0,1]=4 741 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,0,1,0,0,0|3,0,0]=4 742 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,0,1,0,0,0|2,0,0]=3 743 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,0,1,0,0,0|2,0,0]=3 744 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,0,1,0,0,0|2,0,0]=3 745 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,0,1,0,0,0|1,0,0]=2 746 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,0,1,0,0,0|1,0,0]=2 747 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,0,1,0,0,0|1,0,0]=2 748 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,0,1,0,0,0|1,0,0]=2 749 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,0,1,0,0,0|1,0,0]=2 750 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,0,1,0,0,0|1,0,0]=2 751 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,0,1,0,0,0|1,0,0]=2 752 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,0,1,0,0,0|1,0,0]=2 753 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,0,1,0,0,0|3,0,0]=4 754 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,0,1,0,0,0|3,0,0]=4 755 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,0,1,0,0,0|1,0,2]=4 756 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,0,1,0,0,0|1,0,2]=4 757 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,0,1,0,0,0|1,0,2]=4 758 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,0,1,0,0,0|1,0,2]=4 759 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,0,1,0,0,0|1,0,2]=4 760 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,0,1,0,0,0|2,0,1]=4 761 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,0,1,0,0,0|2,0,1]=4 762 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,0,1,0,0,0|2,0,1]=4 763 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,0,1,0,0,0|2,0,1]=4 764 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,0,1,0,0,0|2,0,1]=4 765 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,0,1,0,0,0|2,0,1]=4 766 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,0,1,0,0,0|1,0,1]=3 767 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,0,1,0,0,0|2,0,1]=4 768 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,0,1,0,0,0|2,0,1]=4 769 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,0,1,0,0,0|1,0,1]=3 770 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,0,1,0,0,0|1,0,1]=3 771 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,0,1,0,0,0|2,0,1]=4 772 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,0,1,0,0,0|2,0,1]=4 773 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,0,1,0,0,0|2,0,1]=4 774 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,0,1,0,0,0|2,0,1]=4 775 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,0,1,0,0,0|2,0,1]=4 776 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,0,1,0,0,0|2,0,1]=4 777 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,0,1,0,0,0|1,0,1]=3 778 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,0,1,0,0,0|1,0,1]=3 779 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,0,1,0,0,0|2,0,1]=4 780 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,0,1,0,0,0|2,0,1]=4 781 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,0,1,0,0,0|2,0,1]=4 782 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,0,1,0,0,0|2,0,1]=4 783 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,0,1,0,0,0|2,0,1]=4 784 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,0,1,0,0,0|3,0,0]=4 785 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,0,1,0,0,0|3,0,0]=4 786 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,0,1,0,0,0|3,0,0]=4 787 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,0,1,0,0,0|2,0,0]=3 788 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,0,1,0,0,0|2,0,0]=3 789 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,0,1,0,0,0|2,0,0]=3 790 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,0,1,0,0,0|3,0,0]=4 791 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,0,1,0,0,0|3,0,0]=4 792 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,0,1,0,0,0|3,0,0]=4 793 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,0,1,0,0,0|3,0,0]=4 794 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,0,1,0,0,0|2,0,0]=3 795 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,0,1,0,0,0|3,0,0]=4 796 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,0,1,0,0,0|2,0,0]=3 797 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,0,1,0,0,0|2,0,0]=3 798 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,0,1,0,0,0|2,0,1]=4 799 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,0,1,0,0,0|2,0,1]=4 800 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,0,1,0,0,0|3,0,0]=4 801 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,0,1,0,0,0|3,0,0]=4 802 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,0,1,0,0,0|3,0,0]=4 803 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,0,1,0,0,0|3,0,0]=4 804 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,0,1,0,0,0|2,0,0]=3 805 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,0,1,0,0,0|2,0,0]=3 806 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,0,1,0,0,0|2,0,0]=3 807 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,0,1,0,0,0|2,0,0]=3 808 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,0,1,0,0,0|2,0,0]=3 809 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,0,1,0,0,0|2,0,0]=3 810 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,0,1,0,0,0|0,0,2]=3 811 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,0,1,0,0,0|1,0,1]=3 812 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,0,1,0,0,0|1,0,1]=3 813 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,0,1,0,0,0|1,0,1]=3 814 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,0,1,0,0,0|1,0,1]=3 815 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,0,1,0,0,0|1,0,1]=3 816 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,0,1,0,0,0|1,0,1]=3 817 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,0,1,0,0,0|1,0,1]=3 818 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,0,1,0,0,0|1,0,1]=3 819 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,0,1,0,0,0|1,0,1]=3 820 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,0,1,0,0,0|1,0,1]=3 821 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,0,1,0,0,0|1,0,1]=3 822 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,0,1,0,0,0|1,0,1]=3 823 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,0,1,0,0,0|1,0,1]=3 824 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,0,1,0,0,0|1,0,1]=3 825 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,0,1,0,0,0|1,0,1]=3 826 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,0,1,0,0,0|1,0,1]=3 827 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,0,1,0,0,0|2,0,0]=3 828 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,0,1,0,0,0|2,0,0]=3 829 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,0,1,0,0,0|2,0,0]=3 830 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,0,1,0,0,0|2,0,0]=3 831 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,0,1,0,0,0|0,0,2]=3 832 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,0,1,0,0,0|0,0,2]=3 833 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,0,1,0,0,0|1,0,2]=4 834 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,0,1,0,0,0|1,0,0]=2 835 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,0,1,0,0,0|2,0,0]=3 836 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,0,1,0,0,0|3,0,0]=4 837 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,0,1,0,0,0|3,0,0]=4 838 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,0,1,0,0,0|3,0,0]=4 839 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,0,1,0,0,0|3,0,0]=4 840 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,0,1,0,0,0|3,0,0]=4 841 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,0,1,0,0,0|3,0,0]=4 842 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,0,1,0,0,0|3,0,0]=4 843 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,0,1,0,0,0|2,0,1]=4 844 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,0,1,0,0,0|1,0,2]=4 845 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,0,1,0,0,0|0,0,2]=3 846 B8R0.9 CC(=O)NNC(=O)CBr MCULE-4536348366 [0,0,1,0,0,0|3,0,0]=4 847 B8R0.9 CC(=O)NNC(=O)CCl MCULE-7123176949 [0,0,1,0,0,0|3,0,0]=4 848 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,0,1,0,0,0|2,0,0]=3 849 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,0,1,0,0,0|1,0,1]=3 850 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,0,1,0,0,0|2,0,0]=3 851 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,0,1,0,0,0|1,0,0]=2 852 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,0,1,0,0,0|3,0,0]=4 853 B8R0.9 CCC(=O)NC=C(Cl)Cl MCULE-3371577431 [0,0,1,0,0,0|2,0,1]=4 854 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,0,1,0,0,0|0,0,0]=1 855 B8R0.9 CCC(=O)NCC(C)C MCULE-3079187120 [0,0,1,0,0,0|2,0,1]=4 856 B8R0.9 CCC(=O)NNC(=S)N MCULE-4378556148 [0,0,1,0,0,0|2,1,0]=4 857 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,0,1,0,0,0|2,0,1]=4 858 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,0,1,0,0,0|1,0,1]=3 859 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,0,1,0,0,0|1,0,1]=3 860 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,0,1,0,0,0|2,0,1]=4 861 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,1,0,0,0|2,0,1]=4 862 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,1,0,0,0|2,0,1]=4 863 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,0,1,0,0,0|1,0,2]=4 864 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,0,1,0,0,0|3,0,0]=4 865 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,0,1,0,0,0|3,0,0]=4 866 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,0,1,0,0,0|2,0,0]=3 867 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,0,1,0,0,0|2,0,1]=4 868 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,0,1,0,0,0|2,0,0]=3 869 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,0,1,0,0,0|1,0,0]=2 870 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,0,1,0,0,0|2,0,1]=4 871 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,0,1,0,0,0|2,0,1]=4 872 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,0,1,0,0,0|2,0,1]=4 873 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,0,1,0,0,0|3,0,0]=4 874 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,0,1,0,0,0|3,0,0]=4 875 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,0,1,0,0,0|3,0,0]=4 876 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,0,1,0,0,0|2,0,0]=3 877 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,0,1,0,0,0|3,0,0]=4 878 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,0,1,0,0,0|2,0,0]=3 879 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,0,1,0,0,0|1,0,0]=2 880 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,0,1,0,0,0|2,0,1]=4 881 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,0,1,0,0,0|2,0,0]=3 882 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,0,1,0,0,0|2,0,0]=3 883 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,0,1,0,0,0|2,0,0]=3 884 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,0,1,0,0,0|2,0,0]=3 885 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,0,1,0,0,0|1,0,0]=2 886 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,0,1,0,0,0|1,0,0]=2 887 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,0,1,0,0,0|3,0,0]=4 888 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,0,1,0,0,0|3,0,0]=4 889 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,0,1,0,0,0|2,0,0]=3 890 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,0,1,0,0,0|2,0,0]=3 891 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,0,1,0,0,0|2,0,0]=3 892 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,0,1,0,0,0|3,0,0]=4 893 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,0,1,0,0,0|3,0,0]=4 894 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,0,1,0,0,0|1,0,0]=2 895 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,0,1,0,0,0|2,0,0]=3 896 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [0,0,1,0,0,0|2,0,0]=3 897 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,0,1,0,0,0|2,0,1]=4 898 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,0,1,0,0,0|2,0,1]=4 899 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [0,0,1,0,0,0|0,0,0]=1 900 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,0,1,0,0,0|2,0,1]=4 901 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,0,1,0,0,0|2,0,1]=4 902 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [0,0,1,0,0,0|1,0,0]=2 903 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,0,1,0,0,0|3,0,0]=4 904 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,1,0,0,0|2,0,1]=4 905 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,1,0,0,0|2,0,1]=4 906 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,0,1,0,0,0|2,0,0]=3 907 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,1,0,0,0|3,0,0]=4 908 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,1,0,0,0|3,0,0]=4 909 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,0,1,0,0,0|2,0,0]=3 910 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,1,0,0,0|3,0,0]=4 911 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,1,0,0,0|3,0,0]=4 912 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,0,1,0,0,0|0,0,2]=3 913 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,1,0,0,0|2,0,1]=4 914 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,0,1,0,0,0|1,0,2]=4 915 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,1,0,0,0|3,0,0]=4 916 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,1,0,0,0|1,0,0]=2 917 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,1,0,0,0|2,0,0]=3 918 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,1,0,0,0|2,0,0]=3 919 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,0,1,0,0,0|3,0,0]=4 920 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,1,0,0,0|2,0,0]=3 921 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,0,1,0,0,0|2,0,1]=4 922 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,0,1,0,0,0|1,0,0]=2 923 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,0,1,0,0,0|0,0,0]=1 924 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,0,1,0,0,0|0,0,0]=1 925 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,0,1,0,0,0|1,0,0]=2 926 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,0,1,0,0,0|1,0,0]=2 927 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,0,1,0,0,0|1,0,0]=2 928 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,0,1,0,0,0|1,0,0]=2 929 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,0,1,0,0,0|0,0,0]=1 930 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,0,1,0,0,0|0,0,0]=1 931 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,0,1,0,0,0|0,0,0]=1 932 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,0,1,0,0,0|0,0,0]=1 933 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,0,1,0,0,0|2,0,0]=3 934 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,0,1,0,0,0|2,0,0]=3 935 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,0,1,0,0,0|1,0,0]=2 936 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,0,1,0,0,0|1,0,0]=2 937 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,0,1,0,0,0|2,0,0]=3 938 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,0,1,0,0,0|2,0,0]=3 939 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,0,1,0,0,0|1,0,0]=2 940 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,0,1,0,0,0|1,0,0]=2 941 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [0,0,1,0,0,0|2,1,0]=4 942 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,0,1,0,0,0|2,0,0]=3 943 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,0,1,0,0,0|2,0,0]=3 944 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,0,1,0,0,0|1,0,0]=2 945 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,0,1,0,0,0|1,0,0]=2 946 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,0,1,0,0,0|2,0,1]=4 947 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,0,1,0,0,0|1,0,1]=3 948 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,0,1,0,0,0|1,0,1]=3 949 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,0,1,0,0,0|2,0,1]=4 950 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,0,1,0,0,0|2,0,1]=4 951 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,0,1,0,0,0|3,0,0]=4 952 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,1,0,0,0|2,0,0]=3 953 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,1,0,0,0|2,0,0]=3 954 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,1,0,0,0|2,0,0]=3 955 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,0,1,0,0,0|3,0,0]=4 956 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,0,1,0,0,0|3,0,0]=4 957 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,0,1,0,0,0|2,0,0]=3 958 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,0,1,0,0,0|2,0,0]=3 959 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,1,0,0,0|1,0,0]=2 960 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,0,1,0,0,0|3,0,0]=4 961 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,0,1,0,0,0|3,0,0]=4 962 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,0,1,0,0,0|3,0,0]=4 963 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,1,0,0,0|2,0,0]=3 964 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,1,0,0,0|2,0,0]=3 965 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,1,0,0,0|2,0,0]=3 966 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,1,0,0,0|2,0,0]=3 967 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,1,0,0,0|1,0,0]=2 968 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,0,1,0,0,0|3,0,0]=4 969 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,1,0,0,0|3,0,0]=4 970 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,1,0,0,0|3,0,0]=4 971 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,1,0,0,0|3,0,0]=4 972 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,1,0,0,0|3,0,0]=4 973 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,1,0,0,0|3,0,0]=4 974 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,1,0,0,0|3,0,0]=4 975 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,1,0,0,0|3,0,0]=4 976 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,1,0,0,0|3,0,0]=4 977 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,1,0,0,0|3,0,0]=4 978 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,1,0,0,0|3,0,0]=4 979 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,1,0,0,0|3,0,0]=4 980 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,1,0,0,0|3,0,0]=4 981 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,1,0,0,0|3,0,0]=4 982 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,1,0,0,0|3,0,0]=4 983 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,1,0,0,0|3,0,0]=4 984 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,1,0,0,0|3,0,0]=4 985 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,1,0,0,0|3,0,0]=4 986 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,1,0,0,0|3,0,0]=4 987 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,1,0,0,0|3,0,0]=4 988 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,1,0,0,0|3,0,0]=4 989 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,1,0,0,0|3,0,0]=4 990 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,1,0,0,0|3,0,0]=4 991 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,1,0,0,0|3,0,0]=4 992 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,1,0,0,0|3,0,0]=4 993 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,1,0,0,0|3,0,0]=4 994 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,1,0,0,0|3,0,0]=4 995 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,1,0,0,0|3,0,0]=4 996 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,1,0,0,0|3,0,0]=4 997 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,1,0,0,0|3,0,0]=4 998 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,1,0,0,0|3,0,0]=4 999 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,1,0,0,0|3,0,0]=4 1000 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,0,1,0,0,0|3,0,0]=4 1001 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,1,0,0,0|2,0,0]=3 1002 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,1,0,0,0|2,0,0]=3 1003 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,1,0,0,0|2,0,0]=3 1004 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,1,0,0,0|2,0,1]=4 1005 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,1,0,0,0|1,0,2]=4 1006 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,1,0,0,0|2,0,0]=3 1007 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,1,0,0,0|1,0,0]=2 1008 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,1,0,0,0|1,0,0]=2 1009 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,1,0,0,0|3,0,0]=4 1010 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,1,0,0,0|3,0,0]=4 1011 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,1,0,0,0|2,0,0]=3 1012 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,1,0,0,0|2,0,0]=3 1013 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,1,0,0,0|2,0,0]=3 1014 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,1,0,0,0|3,0,0]=4 1015 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,1,0,0,0|2,0,0]=3 1016 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,1,0,0,0|2,0,1]=4 1017 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,1,0,0,0|1,0,2]=4 1018 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,1,0,0,0|2,0,1]=4 1019 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,1,0,0,0|3,0,0]=4 1020 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,1,0,0,0|3,0,0]=4 1021 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,1,0,0,0|2,0,0]=3 1022 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,1,0,0,0|2,0,0]=3 1023 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,1,0,0,0|2,0,0]=3 1024 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,1,0,0,0|1,1,1]=4 1025 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,1,0,0,0|1,0,0]=2 1026 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,1,0,0,0|0,0,0]=1 1027 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,0,1,0,0,0|1,0,1]=3 1028 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,1,0,0,0|2,0,0]=3 1029 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,1,0,0,0|1,0,0]=2 1030 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,1,0,0,0|1,0,0]=2 1031 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,1,0,0,0|2,0,0]=3 1032 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,1,0,0,0|1,0,0]=2 1033 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,1,0,0,0|1,0,2]=4 1034 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,1,0,0,0|1,0,0]=2 1035 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,1,0,0,0|3,0,0]=4 1036 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,1,0,0,0|2,0,1]=4 1037 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,1,0,0,0|1,1,0]=3 1038 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,1,0,0,0|2,0,0]=3 1039 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,1,0,0,0|3,0,0]=4 1040 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,1,0,0,0|1,0,2]=4 1041 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,1,0,0,0|1,0,2]=4 1042 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,1,0,0,0|1,0,0]=2 1043 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,1,0,0,0|2,0,1]=4 1044 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,1,0,0,0|2,0,0]=3 1045 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,1,0,0,0|2,0,0]=3 1046 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,1,0,0,0|2,0,0]=3 1047 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,1,0,0,0|2,0,0]=3 1048 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,1,0,0,0|1,0,1]=3 1049 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,1,0,0,0|2,0,1]=4 1050 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,1,0,0,0|2,0,0]=3 1051 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,1,0,0,0|2,0,0]=3 1052 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,1,0,0,0|2,0,0]=3 1053 B10R2.60 O=C1CC2CC1CC2=O MCULE-4162023068 [0,0,0,1,0,0|2,0,0]=3 1054 B10R2.60 O=C1OC2CC1CC2Br MCULE-9788012516 [0,0,0,1,0,0|2,0,1]=4 1055 B10R2.178 O=C1CCC2CCC1N2 MCULE-6973216208 [0,0,0,1,0,0|2,0,1]=4 1056 B10R2.178 O=C1CCC2CCC1N2 MCULE-8820198645 [0,0,0,1,0,0|2,0,1]=4 1057 B10R2.178 O=C1NCC2CCC1N2 MCULE-3116159232 [0,0,0,1,0,0|2,0,1]=4 1058 B10R2.178 O=C1NCC2CCC1N2 MCULE-6500052801 [0,0,0,1,0,0|2,0,1]=4 1059 B10R2.178 [C@H]12CCC(N1)CNC2=O MCULE-3692240327 [0,0,0,1,0,0|2,0,1]=4 1060 B10R2.178 [C@H]12CCC(N1)CNC2=O MCULE-7438818057 [0,0,0,1,0,0|2,0,1]=4 1061 B10R2.348 O=C(O)C12CCC(C1)C2 MCULE-8219273908 [0,0,0,1,0,0|2,0,1]=4 1062 B10R2.357 C12CC(NC1C2)C(=O)N MCULE-4859115894 [0,0,0,1,0,0|2,0,1]=4 1063 B10R2.357 C12CC(NC1C2)C(=O)N MCULE-7323043594 [0,0,0,1,0,0|2,0,1]=4 1064 B10R2.357 C12CC(NC1C2)C(=O)N MCULE-7946144059 [0,0,0,1,0,0|2,0,1]=4 1065 B10R2.357 O=C(O)C1CC2CC2C1 MCULE-9890442572 [0,0,0,1,0,0|2,0,1]=4 1066 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-4212410891 [0,0,0,1,0,0|1,0,1]=3 1067 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-5642169472 [0,0,0,1,0,0|1,0,1]=3 1068 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-6526449280 [0,0,0,1,0,0|1,0,1]=3 1069 B10R2.357 O=C(O)C1CC2OC2C1 MCULE-1665894100 [0,0,0,1,0,0|1,0,2]=4 1070 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8901519673 [0,0,0,1,0,0|1,0,1]=3 1071 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8974728452 [0,0,0,1,0,0|1,0,1]=3 1072 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-2251552616 [0,0,0,1,0,0|1,0,1]=3 1073 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-3670081653 [0,0,0,1,0,0|1,0,1]=3 1074 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-4127413852 [0,0,0,1,0,0|1,0,1]=3 1075 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-5543837378 [0,0,0,1,0,0|1,0,1]=3 1076 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2699537727 [0,0,0,1,0,0|1,0,1]=3 1077 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2957583599 [0,0,0,1,0,0|1,0,1]=3 1078 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-8019742930 [0,0,0,1,0,0|1,0,1]=3 1079 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-9906255485 [0,0,0,1,0,0|1,0,1]=3 1080 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-1783881546 [0,0,0,1,0,0|2,0,1]=4 1081 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-2191940678 [0,0,0,1,0,0|2,0,1]=4 1082 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-3269432034 [0,0,0,1,0,0|2,0,1]=4 1083 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-4463912241 [0,0,0,1,0,0|2,0,1]=4 1084 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-6809518361 [0,0,0,1,0,0|2,0,1]=4 1085 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-6941150528 [0,0,0,1,0,0|2,0,1]=4 1086 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-9444667290 [0,0,0,1,0,0|2,0,1]=4 1087 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)N MCULE-9739462821 [0,0,0,1,0,0|2,0,1]=4 1088 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-3004356941 [0,0,0,1,0,0|1,0,1]=3 1089 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-7104749205 [0,0,0,1,0,0|1,0,1]=3 1090 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-9522199577 [0,0,0,1,0,0|1,0,1]=3 1091 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,0,1,0|0,0,0]=1 1092 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,0,0,0,1,0|3,0,0]=4 1093 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,0,0,0,1,0|3,0,0]=4 1094 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,0,1,0|3,0,0]=4 1095 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,0,1,0|2,0,0]=3 1096 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,0,1,0|3,0,0]=4 1097 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,0,0,0,1,0|2,0,1]=4 1098 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,0,0,0,1,0|2,0,1]=4 1099 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,0,1,0|2,0,1]=4 1100 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,0,1,0|1,0,1]=3 1101 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,0,1,0|3,0,0]=4 1102 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,0,1,0|1,0,1]=3 1103 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,0,1,0|2,0,1]=4 1104 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,0,1,0|2,0,1]=4 1105 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,0,1,0|1,0,1]=3 1106 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,0,1,0|2,0,1]=4 1107 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,0,1,0|2,0,1]=4 1108 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,0,1,0|2,0,1]=4 1109 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,0,1,0|2,0,1]=4 1110 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,0,1,0|2,0,1]=4 1111 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,0,1,0|2,0,1]=4 1112 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,0,1,0|2,0,1]=4 1113 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,0,1,0|2,0,1]=4 1114 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,0,1,0|2,0,1]=4 1115 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,0,1,0|1,0,2]=4 1116 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,0,1,0|2,0,1]=4 1117 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,0,1,0|2,0,1]=4 1118 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,0,1,0|1,0,2]=4 1119 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,0,1,0|2,0,1]=4 1120 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,0,1,0|2,0,1]=4 1121 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,0,1,0|1,0,2]=4 1122 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,0,1,0|2,0,0]=3 1123 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,0,1,0|1,0,0]=2 1124 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,0,1,0|0,0,0]=1 1125 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,0,1,0|1,0,0]=2 1126 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,0,1,0|0,0,0]=1 1127 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,0,1,0|0,0,0]=1 1128 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,0,1,0|0,0,0]=1 1129 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,0,1,0|0,0,0]=1 1130 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,0,1,0|2,0,1]=4 1131 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,0,1,0|2,0,0]=3 1132 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,0,1,0|1,0,0]=2 1133 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,0,1,0|2,0,1]=4 1134 B8R1.31 CC(C)C1CCC1=O MCULE-1869737626 [0,0,0,0,1,0|2,0,1]=4 1135 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,0,1,0|1,0,1]=3 1136 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,0,0,0,1,0|2,0,1]=4 1137 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,0,0,0,1,0|2,0,1]=4 1138 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,0,1,0|2,0,0]=3 1139 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,0,1,0|2,0,0]=3 1140 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,0,1,0|2,0,0]=3 1141 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,0,1,0|2,0,0]=3 1142 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,0,1,0|2,0,0]=3 1143 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,0,0,0,1,0|2,0,1]=4 1144 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,0,0,0,1,0|2,0,1]=4 1145 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,0,0,0,1,0|2,0,1]=4 1146 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,0,0,0,1,0|2,0,1]=4 1147 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,0,1,0|1,0,1]=3 1148 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,0,1,0|1,0,1]=3 1149 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,0,1,0|1,0,1]=3 1150 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,0,1,0|1,0,1]=3 1151 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,0,1,0|1,0,1]=3 1152 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,0,1,0|1,0,1]=3 1153 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,0,1,0|1,0,1]=3 1154 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,0,1,0|1,0,1]=3 1155 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,0,1,0|1,0,1]=3 1156 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,0,1,0|1,0,1]=3 1157 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,0,1,0|1,0,1]=3 1158 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,0,1,0|1,0,1]=3 1159 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,0,0,0,1,0|1,0,1]=3 1160 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,0,1,0|0,0,2]=3 1161 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,0,1,0|0,0,2]=3 1162 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,0,1,0|0,0,2]=3 1163 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,0,1,0|1,0,1]=3 1164 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,0,1,0|1,0,1]=3 1165 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,0,1,0|1,0,1]=3 1166 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,0,1,0|1,0,1]=3 1167 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,0,0,0,1,0|2,0,1]=4 1168 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,0,0,0,0,1|2,0,0]=3 1169 B10R1.13 CC(=O)C1CC=C(CC1)Br MCULE-8615852716 [0,0,0,0,0,1|3,0,0]=4 1170 B10R1.13 CC(=O)C1CC=C(CC1)C MCULE-3149377803 [0,0,0,0,0,1|3,0,0]=4 1171 B10R1.13 CC(=O)N1CCC(=O)CC1 MCULE-4679585330 [0,0,0,0,0,1|3,0,0]=4 1172 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [0,0,0,0,0,1|2,0,0]=3 1173 B10R1.13 CC1=CCC(CN1)C(=O)O MCULE-6736360947 [0,0,0,0,0,1|1,0,1]=3 1174 B10R1.13 CC1CCC(CC1)C(=O)O MCULE-3225182334 [0,0,0,0,0,1|2,0,1]=4 1175 B10R1.13 CC1CCC(CN1)C(=O)N MCULE-7780455991 [0,0,0,0,0,1|2,0,1]=4 1176 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-3840727873 [0,0,0,0,0,1|1,0,1]=3 1177 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-5946890830 [0,0,0,0,0,1|1,0,1]=3 1178 B10R1.13 CC1CCC(CO1)C(=O)O MCULE-6526905782 [0,0,0,0,0,1|2,0,1]=4 1179 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-2912599846 [0,0,0,0,0,1|1,0,1]=3 1180 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-3297162881 [0,0,0,0,0,1|1,0,1]=3 1181 B10R1.13 CC1COC(CN1)C(=O)O MCULE-7809709557 [0,0,0,0,0,1|2,0,1]=4 1182 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-1330176845 [0,0,0,0,0,1|3,0,0]=4 1183 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-2860414660 [0,0,0,0,0,1|3,0,0]=4 1184 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O MCULE-8843664488 [0,0,0,0,0,1|1,0,1]=3 1185 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2204464981 [0,0,0,0,0,1|1,0,1]=3 1186 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2225073323 [0,0,0,0,0,1|1,0,1]=3 1187 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-3036379148 [0,0,0,0,0,1|1,0,1]=3 1188 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-9649426657 [0,0,0,0,0,1|1,0,1]=3 1189 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-8093925660 [0,0,0,0,0,1|2,0,1]=4 1190 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-9603514021 [0,0,0,0,0,1|2,0,1]=4 1191 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O MCULE-3272652270 [0,0,0,0,0,1|2,0,1]=4 1192 B10R1.13 C[C@H]1CC[C@@H](CN1)C(=O)O MCULE-6340569413 [0,0,0,0,0,1|1,0,1]=3 1193 B10R1.13 C[C@H]1CC[C@H](CC1)C(=O)O MCULE-7434442752 [0,0,0,0,0,1|2,0,1]=4 1194 B10R1.13 C[C@H]1CC[C@H](CN1)C(=O)O MCULE-3955685184 [0,0,0,0,0,1|1,0,1]=3 1195 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-4706739993 [0,0,0,0,0,1|2,0,1]=4 1196 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-9210189761 [0,0,0,0,0,1|2,0,1]=4 1197 B10R1.13 NC(=O)C1=NNC(=O)CC1 MCULE-3762382528 [0,0,0,0,0,1|1,0,1]=3 1198 B10R1.13 NC(=O)C1CCC(=O)CC1 MCULE-8335948190 [0,0,0,0,0,1|2,0,0]=3 1199 B10R1.13 NC(=O)N1CCC(=O)CC1 MCULE-3885416966 [0,0,0,0,0,1|3,0,0]=4 1200 B10R1.13 NC1=NCC(CN1)C(=O)O MCULE-5846461385 [0,0,0,0,0,1|2,0,0]=3 1201 B10R1.13 NC1=NCC(CN1)C(=O)O MCULE-7792293428 [0,0,0,0,0,1|2,0,0]=3 1202 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-6722954971 [0,0,0,0,0,1|2,0,1]=4 1203 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-9273524734 [0,0,0,0,0,1|2,0,1]=4 1204 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-5282665037 [0,0,0,0,0,1|2,0,1]=4 1205 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8647828626 [0,0,0,0,0,1|2,0,1]=4 1206 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-1388612667 [0,0,0,0,0,1|2,0,1]=4 1207 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-8724032546 [0,0,0,0,0,1|2,0,1]=4 1208 B10R1.13 O=C(O)C1CC=C(CC1)Br MCULE-3957085478 [0,0,0,0,0,1|2,0,0]=3 1209 B10R1.13 O=C(O)C1CC=C(CC1)F MCULE-5924974191 [0,0,0,0,0,1|2,0,0]=3 1210 B10R1.13 O=C(O)C1CCC(CC1)Br MCULE-4952970959 [0,0,0,0,0,1|2,0,1]=4 1211 B10R1.13 O=C(O)C1CCC(CC1)Cl MCULE-9596975674 [0,0,0,0,0,1|2,0,1]=4 1212 B10R1.13 O=C(O)C1CCC(CC1)F MCULE-8237318279 [0,0,0,0,0,1|2,0,1]=4 1213 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,0,0,0,0,1|1,0,2]=4 1214 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,0,0,0,0,1|0,0,2]=3 1215 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,0,0,0,0,1|0,0,2]=3 1216 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,0,0,0,0,1|0,0,2]=3 1217 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,0,0,0,0,1|0,0,2]=3 1218 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,0,0,0,0,1|0,0,2]=3 1219 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,0,0,0,0,1|0,0,2]=3 1220 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,0,0,0,0,1|0,0,2]=3 1221 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,0,0,0,0,1|0,0,2]=3 1222 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,0,0,0,0,1|0,0,2]=3 1223 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,0,0,0,0,1|0,0,2]=3 1224 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,0,0,0,0,1|0,0,2]=3 1225 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,0,0,0,0,1|0,0,2]=3 1226 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)F MCULE-9036564869 [0,0,0,0,0,1|2,0,1]=4 1227 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,0,0,0,0,1|1,0,2]=4 1228 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,0,0,0,0,1|0,0,2]=3 1229 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,0,0,0,0,1|0,0,2]=3 1230 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,0,0,0,0,1|0,0,2]=3 1231 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,0,0,0,0,1|0,0,2]=3 1232 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)F MCULE-1112147502 [0,0,0,0,0,1|2,0,1]=4 1233 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,0,0,0,0,1|1,0,2]=4 1234 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,0,0,0,0,1|0,0,2]=3 1235 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,0,0,0,0,1|0,0,2]=3 1236 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,0,0,0,0,1|0,0,2]=3 1237 B10R1.13 O=C1C=CC(=NN1)C(=O)O MCULE-4975386160 [0,0,0,0,0,1|0,0,3]=4 1238 B10R1.13 O=C1C=CC(N=N1)C(=O)O MCULE-4814566631 [0,0,0,0,0,1|0,0,3]=4 1239 B10R1.13 O=C1CC=C(N=N1)C(=O)O MCULE-8930674606 [0,0,0,0,0,1|0,0,3]=4 1240 B10R1.13 O=C1CCC(=NN1)C(=O)O MCULE-1818973372 [0,0,0,0,0,1|0,0,1]=2 1241 B10R1.13 O=C1CCC(CC1)C(=O)Cl MCULE-9307268152 [0,0,0,0,0,1|2,0,0]=3 1242 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,0,0,0,0,1|1,0,0]=2 1243 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,0,0,0,0,1|0,0,0]=1 1244 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,0,0,0,0,1|0,0,0]=1 1245 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,0,0,0,0,1|0,0,0]=1 1246 B10R1.13 O=C1CCN(CC1)C(=O)Cl MCULE-2916786260 [0,0,0,0,0,1|3,0,0]=4 1247 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,0,0,0,0,1|0,0,0]=1 1248 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,0,0,0,0,1|0,0,0]=1 1249 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,0,0,0,0,1|0,0,0]=1 1250 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,0,0,0,0,1|0,0,0]=1 1251 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,0,0,0,0,1|0,0,0]=1 1252 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,0,0,0,0,1|0,0,0]=1 1253 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,0,0,0,0,1|0,0,0]=1 1254 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,0,0,0,0,1|0,0,0]=1 1255 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,0,0,0,0,1|0,0,0]=1 1256 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,0,0,0,0,1|0,0,0]=1 1257 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,0,0,0,0,1|0,0,0]=1 1258 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,0,0,0,0,1|1,0,0]=2 1259 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,0,0,0,0,1|1,0,0]=2 1260 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,0,0,0,0,1|1,0,0]=2 1261 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,0,0,0,0,1|1,0,0]=2 1262 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,0,0,0,0,1|1,0,0]=2 1263 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,0,0,0,0,1|1,0,0]=2 1264 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,0,0,0,0,1|1,0,0]=2 1265 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,0,0,0,0,1|0,0,2]=3 1266 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,0,0,0,0,1|0,0,2]=3 1267 B10R1.54 CC(=O)/N=C/1\NC(=O)CS1 MCULE-8661452906 [0,0,0,0,0,1|2,0,1]=4 1268 B10R1.54 CC(=O)CC1CCC(=O)N1 MCULE-5590242632 [0,0,0,0,0,1|1,0,0]=2 1269 B10R1.54 CC(=O)OC1=CC(=O)CC1 MCULE-2350469419 [0,0,0,0,0,1|2,0,1]=4 1270 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-8783102670 [0,0,0,0,0,1|2,0,1]=4 1271 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-9676954551 [0,0,0,0,0,1|2,0,1]=4 1272 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [0,0,0,0,0,1|2,0,1]=4 1273 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,0,0,1|2,0,1]=4 1274 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-6518175603 [0,0,0,0,0,1|3,0,0]=4 1275 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-7858558191 [0,0,0,0,0,1|3,0,0]=4 1276 B10R1.54 NC(=O)C=C1NC(=O)CS1 MCULE-2611873577 [0,0,0,0,0,1|2,0,1]=4 1277 B10R1.54 O=C(O)C=C1NC(=O)CS1 MCULE-6076128846 [0,0,0,0,0,1|1,0,1]=3 1278 B10R1.54 O=C(O)CC1=NC(=O)CS1 MCULE-1484851404 [0,0,0,0,0,1|1,0,2]=4 1279 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,0,0,1|1,0,0]=2 1280 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,0,0,1|0,0,0]=1 1281 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,0,0,1|1,0,0]=2 1282 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,0,0,1|1,0,2]=4 1283 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,0,0,1|2,0,0]=3 1284 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,0,0,1|2,0,0]=3 1285 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,0,0,1|2,0,0]=3 1286 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,0,0,1|2,0,0]=3 1287 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,0,0,1|0,0,0]=1 1288 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,0,0,1|0,0,0]=1 1289 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,0,0,1|1,0,2]=4 1290 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,0,0,1|1,0,0]=2 1291 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,0,0,1|1,0,0]=2 1292 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,0,0,1|0,0,0]=1 1293 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,0,0,1|0,0,0]=1 1294 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,0,0,1|1,0,0]=2 1295 B10R1.54 O=C1CCC(C1)CN(=O)=O MCULE-6321532833 [0,0,0,0,0,1|2,0,1]=4 1296 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [0,0,0,0,0,1|2,0,0]=3 1297 B10R1.113 CC(=O)N1CCCC(=O)C1 MCULE-7455044173 [0,0,0,0,0,1|3,0,0]=4 1298 B10R1.113 CC(=O)N1CCNC(=O)C1 MCULE-6224939697 [0,0,0,0,0,1|3,0,0]=4 1299 B10R1.113 CC(C)C1CNCC(=O)N1 MCULE-6646299443 [0,0,0,0,0,1|2,0,1]=4 1300 B10R1.113 CC(C)C1CNCC(=O)N1 MCULE-6741174045 [0,0,0,0,0,1|2,0,1]=4 1301 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 MCULE-2522526689 [0,0,0,0,0,1|2,0,1]=4 1302 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 MCULE-6181817672 [0,0,0,0,0,1|2,0,1]=4 1303 B10R1.113 CC(C)[C@H]1COCC(=O)N1 MCULE-3833156722 [0,0,0,0,0,1|2,0,1]=4 1304 B10R1.113 CC(C)[C@H]1COCC(=O)N1 MCULE-6106811752 [0,0,0,0,0,1|2,0,1]=4 1305 B10R1.113 CC(O)C1CCNC(=O)C1 MCULE-7173594172 [0,0,0,0,0,1|2,0,1]=4 1306 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,0,0,0,0,1|2,0,0]=3 1307 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,0,0,0,1|1,0,0]=2 1308 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,0,0,0,0,1|1,0,1]=3 1309 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,0,0,0,0,1|1,0,1]=3 1310 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [0,0,0,0,0,1|2,0,1]=4 1311 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [0,0,0,0,0,1|2,0,1]=4 1312 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,0,0,0,0,1|2,0,1]=4 1313 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,0,0,0,0,1|2,0,1]=4 1314 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,0,0,0,0,1|1,0,1]=3 1315 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,0,0,0,0,1|1,0,1]=3 1316 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,0,0,0,0,1|1,0,1]=3 1317 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,0,0,1|2,0,1]=4 1318 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [0,0,0,0,0,1|2,0,1]=4 1319 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [0,0,0,0,0,1|2,0,1]=4 1320 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,0,0,0,0,1|2,0,1]=4 1321 B10R1.113 CC1COCC(N1)C(=O)N MCULE-4300959650 [0,0,0,0,0,1|2,0,1]=4 1322 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,0,0,0,0,1|1,0,1]=3 1323 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,0,0,0,0,1|3,0,0]=4 1324 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,0,0,0,0,1|3,0,0]=4 1325 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,0,0,0,0,1|3,0,0]=4 1326 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,0,0,0,0,1|3,0,0]=4 1327 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,0,0,0,0,1|3,0,0]=4 1328 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,0,0,0,0,1|3,0,0]=4 1329 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,0,0,0,0,1|3,0,0]=4 1330 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-2247528725 [0,0,0,0,0,1|3,0,0]=4 1331 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-9094338983 [0,0,0,0,0,1|3,0,0]=4 1332 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-5238925665 [0,0,0,0,0,1|3,0,0]=4 1333 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-6341643779 [0,0,0,0,0,1|3,0,0]=4 1334 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-1518073789 [0,0,0,0,0,1|3,0,0]=4 1335 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-8312508233 [0,0,0,0,0,1|3,0,0]=4 1336 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-5046751827 [0,0,0,0,0,1|3,0,0]=4 1337 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-8819512874 [0,0,0,0,0,1|3,0,0]=4 1338 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,0,0,0,0,1|2,0,1]=4 1339 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,0,0,0,0,1|1,0,1]=3 1340 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,0,0,0,0,1|1,0,1]=3 1341 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,0,0,0,0,1|2,0,1]=4 1342 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [0,0,0,0,0,1|2,0,1]=4 1343 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [0,0,0,0,0,1|2,0,1]=4 1344 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [0,0,0,0,0,1|2,0,1]=4 1345 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [0,0,0,0,0,1|2,0,1]=4 1346 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [0,0,0,0,0,1|2,0,1]=4 1347 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [0,0,0,0,0,1|2,0,1]=4 1348 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [0,0,0,0,0,1|2,0,1]=4 1349 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,0,0,0,0,1|2,0,1]=4 1350 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,0,0,0,0,1|2,0,1]=4 1351 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [0,0,0,0,0,1|2,0,1]=4 1352 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [0,0,0,0,0,1|2,0,1]=4 1353 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [0,0,0,0,0,1|2,0,1]=4 1354 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,0,0,0,0,1|2,0,1]=4 1355 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,0,0,0,0,1|2,0,1]=4 1356 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [0,0,0,0,0,1|2,0,1]=4 1357 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [0,0,0,0,0,1|2,0,1]=4 1358 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [0,0,0,0,0,1|2,0,1]=4 1359 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [0,0,0,0,0,1|2,0,1]=4 1360 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [0,0,0,0,0,1|2,0,1]=4 1361 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [0,0,0,0,0,1|2,0,1]=4 1362 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [0,0,0,0,0,1|2,0,1]=4 1363 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,0,0,1|2,0,0]=3 1364 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,0,0,0,0,1|2,0,1]=4 1365 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,0,0,0,0,1|2,0,1]=4 1366 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,0,0,0,0,1|2,0,1]=4 1367 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,0,0,0,0,1|2,0,1]=4 1368 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,0,0,0,0,1|2,0,1]=4 1369 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,0,0,0,0,1|2,0,1]=4 1370 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,0,0,0,0,1|2,0,1]=4 1371 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,0,0,0,0,1|2,0,1]=4 1372 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,0,0,0,0,1|2,0,1]=4 1373 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,0,0,0,0,1|2,0,1]=4 1374 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,0,0,0,0,1|2,0,1]=4 1375 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,0,0,0,0,1|2,0,1]=4 1376 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,0,0,0,0,1|2,0,1]=4 1377 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,0,0,0,0,1|2,0,1]=4 1378 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,0,0,0,0,1|2,0,1]=4 1379 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,0,0,0,0,1|2,0,1]=4 1380 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,0,0,0,0,1|2,0,1]=4 1381 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,0,0,0,0,1|2,0,1]=4 1382 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,0,0,0,0,1|2,0,1]=4 1383 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,0,0,0,0,1|2,0,1]=4 1384 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,0,0,0,0,1|2,0,1]=4 1385 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,0,0,0,0,1|2,0,1]=4 1386 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,0,0,0,0,1|2,0,1]=4 1387 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,0,0,0,0,1|2,0,1]=4 1388 B10R1.113 O=C(O)C1=CS(=O)CCC1 MCULE-4974730957 [0,0,0,0,0,1|2,0,1]=4 1389 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,0,0,0,0,1|1,0,2]=4 1390 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,0,0,0,0,1|1,0,2]=4 1391 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,0,0,0,0,1|2,0,1]=4 1392 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,0,0,1|1,0,2]=4 1393 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,0,0,1|1,0,2]=4 1394 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,0,0,1|1,0,2]=4 1395 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,0,0,0,0,1|2,0,0]=3 1396 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,0,0,0,0,1|2,0,0]=3 1397 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,0,0,1|1,0,2]=4 1398 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,0,0,1|1,0,2]=4 1399 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,0,0,1|1,0,2]=4 1400 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,0,0,1|1,0,2]=4 1401 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,0,0,0,0,1|1,0,2]=4 1402 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,0,0,0,0,1|1,0,2]=4 1403 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,0,0,0,0,1|1,0,2]=4 1404 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,0,0,1|1,0,2]=4 1405 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,0,0,1|1,0,2]=4 1406 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,0,0,1|1,0,2]=4 1407 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,0,0,1|1,0,2]=4 1408 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,0,0,0,0,1|1,0,2]=4 1409 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,0,0,0,0,1|1,0,2]=4 1410 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,0,0,0,0,1|1,0,2]=4 1411 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,0,0,0,0,1|1,0,2]=4 1412 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,0,0,0,0,1|1,0,2]=4 1413 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,0,0,0,0,1|1,0,2]=4 1414 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,0,0,0,0,1|1,0,2]=4 1415 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,0,0,1|1,0,1]=3 1416 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,0,0,0,0,1|1,0,1]=3 1417 B10R1.113 O=C1C=CN=C(N1)C(=O)O MCULE-1040826314 [0,0,0,0,0,1|0,0,3]=4 1418 B10R1.113 O=C1C=NC=C(N1)C(=O)O MCULE-6285474543 [0,0,0,0,0,1|0,0,3]=4 1419 B10R1.113 O=C1CC(CCN1)B(O)O MCULE-8962803992 [0,0,0,0,0,1|2,0,1]=4 1420 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,0,0,1|1,0,0]=2 1421 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,0,0,0,0,1|2,0,0]=3 1422 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,0,0,0,0,1|2,0,0]=3 1423 B10R1.113 O=C1CCCC(C1)B(O)O MCULE-4346596975 [0,0,0,0,0,1|2,0,1]=4 1424 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,0,0,1|1,0,0]=2 1425 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,0,0,1|0,0,0]=1 1426 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,0,0,1|0,0,0]=1 1427 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,0,0,1|1,0,0]=2 1428 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,0,0,1|0,0,0]=1 1429 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,0,0,1|0,0,0]=1 1430 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,0,0,1|1,0,0]=2 1431 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,0,0,1|0,0,0]=1 1432 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,0,0,1|0,0,0]=1 1433 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,0,0,1|1,0,0]=2 1434 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,0,0,1|1,0,0]=2 1435 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,0,0,1|1,0,0]=2 1436 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,0,0,1|1,0,0]=2 1437 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,0,0,1|1,0,0]=2 1438 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,0,0,1|1,0,0]=2 1439 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,0,0,1|0,0,0]=1 1440 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,0,0,1|0,0,0]=1 1441 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,0,0,1|0,0,0]=1 1442 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,0,0,1|0,0,0]=1 1443 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,0,0,1|0,0,0]=1 1444 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,0,0,1|1,0,0]=2 1445 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,0,0,1|1,0,0]=2 1446 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,0,0,1|1,0,0]=2 1447 B10R1.113 O=C1N=CC=C(N1)C(=O)O MCULE-6042406465 [0,0,0,0,0,1|0,0,3]=4 1448 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,0,0,1|0,0,0]=1 1449 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,0,0,1|0,0,0]=1 1450 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,0,0,1|1,0,0]=2 1451 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,0,0,1|0,0,0]=1 1452 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,0,0,0,0,1|1,0,1]=3 1453 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,0,0,0,0,1|3,0,0]=4 1454 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,0,0,0,0,1|2,0,1]=4 1455 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,0,0,0,0,1|2,0,1]=4 1456 B7R0.3 C#CCNC(=O)CC MCULE-2258533582 [1,0,1,0,0,0|1,0,1]=4 1457 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [1,0,1,0,0,0|2,0,0]=4 1458 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,0,1,0,0,0|1,0,1]=4 1459 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [1,0,1,0,0,0|2,0,0]=4 1460 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [1,0,1,0,0,0|2,0,0]=4 1461 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [1,0,1,0,0,0|2,0,0]=4 1462 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [1,0,1,0,0,0|2,0,0]=4 1463 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [1,0,1,0,0,0|2,0,0]=4 1464 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [1,0,1,0,0,0|2,0,0]=4 1465 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [1,0,1,0,0,0|1,0,1]=4 1466 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [1,0,1,0,0,0|1,0,1]=4 1467 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [1,0,1,0,0,0|1,0,1]=4 1468 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [1,0,1,0,0,0|1,0,1]=4 1469 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [1,0,1,0,0,0|1,0,1]=4 1470 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,0,1,0,0,0|0,0,1]=3 1471 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,0,1,0,0,0|1,0,1]=4 1472 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [1,0,1,0,0,0|1,0,1]=4 1473 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,0,1,0,0,0|2,0,0]=4 1474 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,0,1,0,0,0|1,0,1]=4 1475 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [1,0,1,0,0,0|1,0,1]=4 1476 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [1,0,1,0,0,0|1,0,1]=4 1477 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [1,0,1,0,0,0|1,0,1]=4 1478 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,0,1,0,0,0|1,0,1]=4 1479 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,0,1,0,0,0|1,0,1]=4 1480 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,1,0,0,0|1,0,1]=4 1481 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,0,1,0,0,0|1,0,0]=3 1482 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,0,1,0,0,0|2,0,0]=4 1483 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,1,0,0,0|1,0,0]=3 1484 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,0,1,0,0,0|2,0,0]=4 1485 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,0,1,0,0,0|2,0,0]=4 1486 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,0,1,0,0,0|2,0,0]=4 1487 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,0,1,0,0,0|2,0,0]=4 1488 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,1,0,0,0|1,0,1]=4 1489 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,0,1,0,0,0|2,0,0]=4 1490 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,0,1,0,0,0|2,0,0]=4 1491 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,1,0,0,0|1,0,1]=4 1492 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,0,1,0,0,0|1,0,0]=3 1493 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,1,0,0,0|1,0,1]=4 1494 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,1,0,0,0|1,0,1]=4 1495 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,0,1,0,0,0|1,0,1]=4 1496 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,0,1,0,0,0|1,0,1]=4 1497 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,1,0,0,0|0,0,1]=3 1498 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,1,0,0,0|0,0,1]=3 1499 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,1,0,0,0|1,0,1]=4 1500 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,1,0,0,0|1,0,1]=4 1501 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,1,0,0,0|2,0,0]=4 1502 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,1,0,0,0|2,0,0]=4 1503 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,1,0,0,0|2,0,0]=4 1504 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,1,0,0,0|2,0,0]=4 1505 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,1,0,0,0|2,0,0]=4 1506 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,1,0,0,0|2,0,0]=4 1507 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,1,0,0,0|2,0,0]=4 1508 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,1,0,0,0|2,0,0]=4 1509 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,1,0,0,0|2,0,0]=4 1510 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,1,0,0,0|2,0,0]=4 1511 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,1,0,0,0|0,0,2]=4 1512 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,0,1,0,0,0|1,0,1]=4 1513 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,0,1,0,0,0|1,0,1]=4 1514 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,1,0,0,0|0,0,1]=3 1515 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,0,1,0,0,0|1,0,1]=4 1516 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,0,1,0,0,0|1,0,1]=4 1517 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,0,1,0,0,0|1,0,1]=4 1518 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,0,1,0,0,0|1,0,1]=4 1519 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,0,1,0,0,0|1,0,1]=4 1520 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,1,0,0,0|0,0,1]=3 1521 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,1,0,0,0|0,0,1]=3 1522 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,1,0,0,0|0,0,1]=3 1523 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,1,0,0,0|0,0,1]=3 1524 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,1,0,0,0|1,0,1]=4 1525 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,1,0,0,0|1,0,1]=4 1526 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,1,0,0,0|1,0,1]=4 1527 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,1,0,0,0|1,0,1]=4 1528 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,1,0,0,0|1,0,1]=4 1529 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,1,0,0,0|1,0,1]=4 1530 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,1,0,0,0|1,0,0]=3 1531 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,1,0,0,0|1,0,0]=3 1532 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,0,1,0,0,0|1,0,1]=4 1533 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,1,0,0,0|1,0,1]=4 1534 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,1,0,0,0|1,0,1]=4 1535 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,1,0,0,0|0,0,2]=4 1536 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,1,0,0,0|0,1,1]=4 1537 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,1,0,0,0|1,0,1]=4 1538 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,1,0,0,0|1,0,1]=4 1539 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,1,0,0,0|0,0,0]=2 1540 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,0,1,0,0,0|0,0,2]=4 1541 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,0,1,0,0,0|0,0,2]=4 1542 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,0,1,0,0,0|0,0,2]=4 1543 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,0,1,0,0,0|0,0,2]=4 1544 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,0,1,0,0,0|0,0,2]=4 1545 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,0,1,0,0,0|0,0,2]=4 1546 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,0,1,0,0,0|0,0,2]=4 1547 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,0,1,0,0,0|0,0,2]=4 1548 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,0,1,0,0,0|0,0,2]=4 1549 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,0,1,0,0,0|0,0,2]=4 1550 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,0,1,0,0,0|0,0,2]=4 1551 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,0,1,0,0,0|0,0,2]=4 1552 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,1,0,0,0|1,0,1]=4 1553 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,0,1,0,0,0|0,0,1]=3 1554 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,0,1,0,0,0|0,0,1]=3 1555 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,0,1,0,0,0|0,0,1]=3 1556 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,0,1,0,0,0|0,0,1]=3 1557 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,0,1,0,0,0|1,0,1]=4 1558 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,0,1,0,0,0|0,0,1]=3 1559 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,0,1,0,0,0|0,0,1]=3 1560 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,0,1,0,0,0|0,0,1]=3 1561 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,0,1,0,0,0|0,0,1]=3 1562 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,0,1,0,0,0|1,0,1]=4 1563 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,0,1,0,0,0|0,0,1]=3 1564 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,0,1,0,0,0|0,0,1]=3 1565 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,0,1,0,0,0|0,0,1]=3 1566 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,0,1,0,0,0|0,0,1]=3 1567 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,0,1,0,0,0|1,0,1]=4 1568 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,1,0,0,0|2,0,0]=4 1569 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,1,0,0,0|2,0,0]=4 1570 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,1,0,0,0|1,0,1]=4 1571 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,0,1,0,0,0|0,0,0]=2 1572 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,0,1,0,0,0|1,0,0]=3 1573 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,0,1,0,0,0|2,0,0]=4 1574 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,1,0,0,0|1,0,1]=4 1575 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,1,0,0,0|1,0,1]=4 1576 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,1,0,0,0|1,0,1]=4 1577 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,1,0,0,0|1,0,1]=4 1578 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,0,1,0,0,0|1,0,1]=4 1579 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,0,1,0,0,0|1,0,1]=4 1580 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,1,0,0,0|0,0,1]=3 1581 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,1,0,0,0|0,0,1]=3 1582 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,1,0,0,0|0,0,1]=3 1583 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,1,0,0,0|1,0,1]=4 1584 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,1,0,0,0|1,0,1]=4 1585 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,1,0,0,0|0,0,1]=3 1586 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,1,0,0,0|0,0,1]=3 1587 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,1,0,0,0|1,0,1]=4 1588 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,1,0,0,0|1,0,1]=4 1589 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,0,1,0,0,0|1,0,1]=4 1590 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,0,1,0,0,0|1,0,1]=4 1591 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,0,1,0,0,0|1,0,1]=4 1592 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,0,1,0,0,0|1,0,1]=4 1593 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,1,0,0,0|0,0,1]=3 1594 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,1,0,0,0|0,0,1]=3 1595 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,1,0,0,0|0,0,1]=3 1596 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,1,0,0,0|1,0,1]=4 1597 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,1,0,0,0|1,0,1]=4 1598 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,0,1,0,0,0|1,0,1]=4 1599 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,0,1,0,0,0|1,0,1]=4 1600 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,1,0,0,0|0,0,1]=3 1601 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,1,0,0,0|0,0,1]=3 1602 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,1,0,0,0|0,0,1]=3 1603 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,1,0,0,0|1,0,1]=4 1604 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,1,0,0,0|1,0,1]=4 1605 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,1,0,0,0|2,0,0]=4 1606 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,1,0,0,0|2,0,0]=4 1607 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,1,0,0,0|1,0,1]=4 1608 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,1,0,0,0|1,0,1]=4 1609 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,1,0,0,0|1,0,1]=4 1610 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,1,0,0,0|1,0,1]=4 1611 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,1,0,0,0|1,0,1]=4 1612 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,1,0,0,0|1,0,1]=4 1613 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,1,0,0,0|2,0,0]=4 1614 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,0,1,0,0,0|1,0,1]=4 1615 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,0,1,0,0,0|1,0,1]=4 1616 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,0,1,0,0,0|1,0,1]=4 1617 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,0,1,0,0,0|1,0,1]=4 1618 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,0,1,0,0,0|1,0,1]=4 1619 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,0,1,0,0,0|1,0,1]=4 1620 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,0,1,0,0,0|1,0,1]=4 1621 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,0,1,0,0,0|1,0,1]=4 1622 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,0,1,0,0,0|1,0,1]=4 1623 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,0,1,0,0,0|1,0,1]=4 1624 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,0,1,0,0,0|1,0,1]=4 1625 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,0,1,0,0,0|1,0,1]=4 1626 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,1,0,0,0|2,0,0]=4 1627 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,0,1,0,0,0|1,0,1]=4 1628 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,0,1,0,0,0|1,0,1]=4 1629 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,0,1,0,0,0|1,0,1]=4 1630 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,1,0,0,0|1,1,0]=4 1631 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,0,1,0,0,0|0,0,0]=2 1632 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,0,1,0,0,0|0,0,0]=2 1633 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,0,1,0,0,0|1,0,1]=4 1634 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,0,1,0,0,0|1,0,1]=4 1635 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,0,1,0,0,0|1,0,1]=4 1636 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,0,1,0,0,0|1,0,1]=4 1637 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,0,1,0,0,0|1,0,1]=4 1638 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,0,1,0,0,0|1,0,1]=4 1639 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,0,1,0,0,0|1,0,1]=4 1640 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,0,1,0,0,0|1,0,1]=4 1641 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,0,1,0,0,0|1,0,1]=4 1642 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,1,0,0,0|1,0,0]=3 1643 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,1,0,0,0|1,0,0]=3 1644 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,1,0,0,0|1,0,0]=3 1645 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,1,0,0,0|1,0,0]=3 1646 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,1,0,0,0|0,0,1]=3 1647 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,1,0,0,0|0,0,1]=3 1648 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,1,0,0,0|0,1,0]=3 1649 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,1,0,0,0|0,1,0]=3 1650 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,1,0,0,0|1,0,1]=4 1651 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,1,0,0,0|2,0,0]=4 1652 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,1,0,0,0|2,0,0]=4 1653 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,1,0,0,0|1,0,0]=3 1654 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,1,0,0,0|1,0,0]=3 1655 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,1,0,0,0|1,0,0]=3 1656 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,1,0,0,0|1,0,0]=3 1657 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,1,0,0,0|1,0,0]=3 1658 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,1,0,0,0|1,0,0]=3 1659 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,1,0,0,0|1,0,0]=3 1660 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,1,0,0,0|2,0,0]=4 1661 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,1,0,0,0|2,0,0]=4 1662 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,1,0,0,0|1,0,0]=3 1663 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,1,0,0,0|1,0,0]=3 1664 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,1,0,0,0|1,0,0]=3 1665 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,1,0,0,0|1,0,0]=3 1666 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,1,0,0,0|2,0,0]=4 1667 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,1,0,0,0|1,0,0]=3 1668 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,1,0,0,0|1,0,0]=3 1669 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,1,0,0,0|1,0,0]=3 1670 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,1,0,0,0|1,0,0]=3 1671 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,1,0,0,0|1,0,0]=3 1672 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,1,0,0,0|1,0,0]=3 1673 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,1,0,0,0|1,0,0]=3 1674 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,1,0,0,0|1,0,0]=3 1675 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,1,0,0,0|1,0,0]=3 1676 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,1,0,0,0|2,0,0]=4 1677 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,1,0,0,0|2,0,0]=4 1678 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,0,1,0,0,0|2,0,0]=4 1679 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,1,0,0,0|1,0,0]=3 1680 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,1,0,0,0|1,0,0]=3 1681 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,1,0,0,0|1,0,0]=3 1682 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,1,0,0,0|1,0,0]=3 1683 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,1,0,0,0|0,0,1]=3 1684 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,1,0,0,0|0,0,1]=3 1685 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,1,0,0,0|0,1,0]=3 1686 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,1,0,0,0|0,1,0]=3 1687 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,0,1,0,0,0|1,1,0]=4 1688 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,1,0,0,0|1,0,0]=3 1689 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,1,0,0,0|1,0,0]=3 1690 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,1,0,0,0|0,0,1]=3 1691 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,1,0,0,0|0,0,1]=3 1692 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,1,0,0,0|0,1,0]=3 1693 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,1,0,0,0|0,1,0]=3 1694 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,1,0,0,0|2,0,0]=4 1695 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,1,0,0,0|1,0,1]=4 1696 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,0,1,0,0,0|0,0,2]=4 1697 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [1,0,1,0,0,0|2,0,0]=4 1698 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,0,1,0,0,0|2,0,0]=4 1699 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,0,1,0,0,0|1,0,0]=3 1700 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,0,1,0,0,0|2,0,0]=4 1701 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,0,1,0,0,0|1,0,1]=4 1702 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,0,1,0,0,0|1,0,1]=4 1703 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,0,1,0,0,0|2,0,0]=4 1704 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,0,1,0,0,0|2,0,0]=4 1705 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,1,0,0,0|1,0,0]=3 1706 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,0,1,0,0,0|1,0,1]=4 1707 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [1,0,1,0,0,0|1,0,0]=3 1708 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [1,0,1,0,0,0|2,0,0]=4 1709 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,0,1,0,0,0|2,0,0]=4 1710 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [1,0,1,0,0,0|1,0,0]=3 1711 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [1,0,1,0,0,0|1,0,0]=3 1712 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,0,1,0,0,0|0,0,0]=2 1713 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,0,1,0,0,0|1,0,1]=4 1714 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [1,0,1,0,0,0|2,0,0]=4 1715 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [1,0,1,0,0,0|2,0,0]=4 1716 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,0,1,0,0,0|1,0,0]=3 1717 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,0,1,0,0,0|1,0,0]=3 1718 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,0,1,0,0,0|0,1,0]=3 1719 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,0,1,0,0,0|1,0,1]=4 1720 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,0,1,0,0,0|1,0,1]=4 1721 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,0,1,0,0,0|2,0,0]=4 1722 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [1,0,1,0,0,0|2,0,0]=4 1723 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [1,0,1,0,0,0|2,0,0]=4 1724 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,1,0,0,0|2,0,0]=4 1725 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,1,0,0,0|1,0,0]=3 1726 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,1,0,0,0|2,0,0]=4 1727 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [1,0,1,0,0,0|1,1,0]=4 1728 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,1,0,0,0|2,0,0]=4 1729 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,1,0,0,0|2,0,0]=4 1730 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,1,0,0,0|2,0,0]=4 1731 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [1,0,1,0,0,0|1,0,1]=4 1732 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [1,0,1,0,0,0|1,0,1]=4 1733 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [1,0,1,0,0,0|1,0,1]=4 1734 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [1,0,1,0,0,0|1,0,1]=4 1735 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [1,0,1,0,0,0|1,0,1]=4 1736 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,0,1,0,0,0|0,0,2]=4 1737 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [1,0,1,0,0,0|1,0,1]=4 1738 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [1,0,1,0,0,0|1,0,1]=4 1739 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [1,0,1,0,0,0|0,0,1]=3 1740 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [1,0,1,0,0,0|0,0,1]=3 1741 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [1,0,1,0,0,0|1,0,0]=3 1742 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [1,0,1,0,0,0|0,0,1]=3 1743 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [1,0,1,0,0,0|1,0,1]=4 1744 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [1,0,1,0,0,0|1,0,1]=4 1745 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [1,0,1,0,0,0|1,0,1]=4 1746 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [1,0,1,0,0,0|1,0,1]=4 1747 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [1,0,1,0,0,0|1,0,1]=4 1748 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [1,0,1,0,0,0|1,0,1]=4 1749 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [1,0,1,0,0,0|1,0,1]=4 1750 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,0,1,0,0,0|0,0,2]=4 1751 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [1,0,1,0,0,0|1,0,1]=4 1752 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [1,0,1,0,0,0|1,0,1]=4 1753 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [1,0,1,0,0,0|1,0,1]=4 1754 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [1,0,1,0,0,0|1,0,1]=4 1755 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [1,0,1,0,0,0|1,0,1]=4 1756 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [1,0,1,0,0,0|1,0,1]=4 1757 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [1,0,1,0,0,0|1,0,1]=4 1758 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [1,0,1,0,0,0|1,0,1]=4 1759 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [1,0,1,0,0,0|1,0,1]=4 1760 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [1,0,1,0,0,0|1,0,1]=4 1761 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [1,0,1,0,0,0|1,0,1]=4 1762 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [1,0,1,0,0,0|1,0,1]=4 1763 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [1,0,1,0,0,0|1,0,1]=4 1764 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [1,0,1,0,0,0|1,0,1]=4 1765 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [1,0,1,0,0,0|1,0,1]=4 1766 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [1,0,1,0,0,0|1,0,1]=4 1767 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [1,0,1,0,0,0|1,0,1]=4 1768 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [1,0,1,0,0,0|1,0,1]=4 1769 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [1,0,1,0,0,0|2,0,0]=4 1770 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [1,0,1,0,0,0|2,0,0]=4 1771 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [1,0,1,0,0,0|1,0,1]=4 1772 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [1,0,1,0,0,0|1,0,1]=4 1773 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [1,0,1,0,0,0|0,0,1]=3 1774 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [1,0,1,0,0,0|0,0,1]=3 1775 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [1,0,1,0,0,0|0,0,1]=3 1776 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [2,0,0,0,0,0|0,0,2]=4 1777 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [2,0,0,0,0,0|1,0,1]=4 1778 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [2,0,0,0,0,0|1,0,1]=4 1779 B7R1.1 O=CC1CC=CC1 MCULE-1563456893 [2,0,0,0,0,0|1,0,1]=4 1780 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [2,0,0,0,0,0|1,0,1]=4 1781 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [2,0,0,0,0,0|1,0,1]=4 1782 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [2,0,0,0,0,0|2,0,0]=4 1783 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [2,0,0,0,0,0|2,0,0]=4 1784 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [2,0,0,0,0,0|2,0,0]=4 1785 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [2,0,0,0,0,0|2,0,0]=4 1786 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [2,0,0,0,0,0|2,0,0]=4 1787 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [2,0,0,0,0,0|1,0,1]=4 1788 B7R1.1 OCC1CCCN1 MCULE-1016922679 [2,0,0,0,0,0|0,0,2]=4 1789 B7R1.1 OCC1CCCN1 MCULE-8224535891 [2,0,0,0,0,0|0,0,2]=4 1790 B7R1.1 OCC1CCON1 MCULE-1199975481 [2,0,0,0,0,0|1,0,1]=4 1791 B7R1.1 OCC1CCON1 MCULE-4772487016 [2,0,0,0,0,0|1,0,1]=4 1792 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [2,0,0,0,0,0|0,0,2]=4 1793 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [2,0,0,0,0,0|0,0,2]=4 1794 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [2,0,0,0,0,0|0,0,2]=4 1795 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [2,0,0,0,0,0|0,0,2]=4 1796 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [2,0,0,0,0,0|0,0,2]=4 1797 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [2,0,0,0,0,0|0,0,2]=4 1798 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [2,0,0,0,0,0|0,0,2]=4 1799 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [2,0,0,0,0,0|0,0,2]=4 1800 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [2,0,0,0,0,0|2,0,0]=4 1801 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [2,0,0,0,0,0|1,0,1]=4 1802 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [2,0,0,0,0,0|1,0,1]=4 1803 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [2,0,0,0,0,0|1,0,1]=4 1804 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [2,0,0,0,0,0|0,0,1]=3 1805 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [2,0,0,0,0,0|0,0,1]=3 1806 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [2,0,0,0,0,0|1,0,1]=4 1807 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [2,0,0,0,0,0|1,0,1]=4 1808 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [2,0,0,0,0,0|1,0,1]=4 1809 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [2,0,0,0,0,0|1,0,1]=4 1810 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [2,0,0,0,0,0|0,0,1]=3 1811 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [2,0,0,0,0,0|0,0,1]=3 1812 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [2,0,0,0,0,0|1,0,1]=4 1813 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [2,0,0,0,0,0|1,0,1]=4 1814 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [2,0,0,0,0,0|1,0,1]=4 1815 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [2,0,0,0,0,0|1,0,1]=4 1816 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [2,0,0,0,0,0|0,0,1]=3 1817 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [2,0,0,0,0,0|0,0,1]=3 1818 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [2,0,0,0,0,0|1,0,1]=4 1819 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [2,0,0,0,0,0|1,0,1]=4 1820 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [2,0,0,0,0,0|1,0,1]=4 1821 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [2,0,0,0,0,0|2,0,0]=4 1822 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [2,0,0,0,0,0|2,0,0]=4 1823 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [2,0,0,0,0,0|1,0,0]=3 1824 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [2,0,0,0,0,0|1,0,0]=3 1825 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [2,0,0,0,0,0|2,0,0]=4 1826 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [2,0,0,0,0,0|1,0,1]=4 1827 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [2,0,0,0,0,0|2,0,0]=4 1828 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [2,0,0,0,0,0|2,0,0]=4 1829 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [2,0,0,0,0,0|2,0,0]=4 1830 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [2,0,0,0,0,0|1,0,1]=4 1831 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [2,0,0,0,0,0|0,0,1]=3 1832 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [2,0,0,0,0,0|1,0,1]=4 1833 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [2,0,0,0,0,0|2,0,0]=4 1834 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [2,0,0,0,0,0|2,0,0]=4 1835 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [2,0,0,0,0,0|1,0,0]=3 1836 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [2,0,0,0,0,0|0,0,0]=2 1837 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [2,0,0,0,0,0|2,0,0]=4 1838 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [2,0,0,0,0,0|1,0,0]=3 1839 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [2,0,0,0,0,0|1,0,1]=4 1840 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [2,0,0,0,0,0|1,0,1]=4 1841 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [2,0,0,0,0,0|1,0,1]=4 1842 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [2,0,0,0,0,0|2,0,0]=4 1843 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [2,0,0,0,0,0|2,0,0]=4 1844 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [2,0,0,0,0,0|2,0,0]=4 1845 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [2,0,0,0,0,0|2,0,0]=4 1846 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [2,0,0,0,0,0|2,0,0]=4 1847 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [2,0,0,0,0,0|2,0,0]=4 1848 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [2,0,0,0,0,0|2,0,0]=4 1849 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [2,0,0,0,0,0|2,0,0]=4 1850 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [2,0,0,0,0,0|1,0,1]=4 1851 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,1,0,0,0|1,0,1]=4 1852 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,1,0,0,0|1,0,1]=4 1853 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,1,0,0,0|0,0,0]=2 1854 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,1,0,0,0|1,0,1]=4 1855 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,1,0,0,0|1,0,1]=4 1856 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,1,0,0,0|1,0,1]=4 1857 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,1,0,0,0|1,0,1]=4 1858 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,1,0,0,0|2,0,0]=4 1859 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,1,0,0,0|2,0,0]=4 1860 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,1,0,0,0|1,0,0]=3 1861 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,1,0,0,0|1,0,0]=3 1862 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,1,0,0,0|1,0,0]=3 1863 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,1,0,0,0|1,0,0]=3 1864 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,1,0,0,0|1,0,0]=3 1865 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,1,0,0,0|1,0,0]=3 1866 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,1,0,0,0|1,0,0]=3 1867 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,1,0,0,0|1,0,0]=3 1868 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,1,0,0,0|1,0,0]=3 1869 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,1,0,0,0|1,0,0]=3 1870 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,1,0,0,0|1,0,0]=3 1871 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,1,0,0,0|1,0,0]=3 1872 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,1,0,0,0|2,0,0]=4 1873 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,1,0,0,0|1,0,0]=3 1874 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,1,0,0,0|1,0,0]=3 1875 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,1,0,0,0|2,0,0]=4 1876 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,1,0,0,0|2,0,0]=4 1877 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,1,0,0,0|1,0,0]=3 1878 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,1,0,0,0|1,0,0]=3 1879 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,1,0,0,0|1,0,1]=4 1880 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,1,0,0,0|1,0,1]=4 1881 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,1,0,0,0|1,0,1]=4 1882 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,1,0,0,0|1,0,1]=4 1883 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,1,0,0,0|1,0,1]=4 1884 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,1,0,0,0|1,0,1]=4 1885 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,1,0,0,0|1,0,1]=4 1886 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,1,0,0,0|1,0,1]=4 1887 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,1,0,0,0|1,0,1]=4 1888 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,1,0,0,0|1,0,0]=3 1889 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,1,0,0,0|1,0,0]=3 1890 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,1,0,0,0|2,0,0]=4 1891 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,1,0,0,0|2,0,0]=4 1892 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,1,0,0,0|2,0,0]=4 1893 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,1,0,0,0|2,0,0]=4 1894 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,1,0,0,0|2,0,0]=4 1895 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,1,0,0,0|2,0,0]=4 1896 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,1,0,0,0|2,0,0]=4 1897 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,1,0,0,0|1,0,0]=3 1898 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,1,0,0,0|1,0,0]=3 1899 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,1,0,0,0|1,0,0]=3 1900 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,1,0,0,0|1,0,0]=3 1901 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,1,0,0,0|1,0,0]=3 1902 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,1,0,0,0|1,0,0]=3 1903 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,1,0,0,0|1,0,0]=3 1904 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,1,0,0,0|1,0,0]=3 1905 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,1,0,0,0|1,0,0]=3 1906 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,1,0,0,0|2,0,0]=4 1907 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,1,0,0,0|2,0,0]=4 1908 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,1,0,0,0|2,0,0]=4 1909 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,1,0,0,0|2,0,0]=4 1910 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,1,0,0,0|2,0,0]=4 1911 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,1,0,0,0|2,0,0]=4 1912 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,1,0,0,0|2,0,0]=4 1913 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,1,0,0,0|2,0,0]=4 1914 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,1,0,0,0|2,0,0]=4 1915 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,1,0,0,0|2,0,0]=4 1916 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,1,0,0,0|2,0,0]=4 1917 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,1,0,0,0|2,0,0]=4 1918 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,1,0,0,0|2,0,0]=4 1919 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,1,0,0,0|2,0,0]=4 1920 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,1,0,0,0|2,0,0]=4 1921 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,1,0,0,0|2,0,0]=4 1922 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,1,0,0,0|2,0,0]=4 1923 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,1,1,0,0,0|2,0,0]=4 1924 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,1,1,0,0,0|2,0,0]=4 1925 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,1,1,0,0,0|2,0,0]=4 1926 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,1,1,0,0,0|2,0,0]=4 1927 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,1,1,0,0,0|2,0,0]=4 1928 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,1,1,0,0,0|2,0,0]=4 1929 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,1,1,0,0,0|2,0,0]=4 1930 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,1,1,0,0,0|2,0,0]=4 1931 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,1,0,0,0|1,0,0]=3 1932 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,1,0,0,0|1,0,0]=3 1933 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,1,0,0,0|0,0,0]=2 1934 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,1,0,0,0|1,0,0]=3 1935 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,1,0,0,0|1,0,0]=3 1936 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,1,0,0,0|1,0,0]=3 1937 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,1,0,0,0|1,0,0]=3 1938 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,1,0,0,0|0,0,0]=2 1939 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,1,0,0,0|0,0,0]=2 1940 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,1,0,0,0|1,0,0]=3 1941 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,1,0,0,0|1,0,0]=3 1942 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,1,0,0,0|1,0,0]=3 1943 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,1,0,0,0|1,0,0]=3 1944 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,1,0,0,0|0,0,0]=2 1945 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,1,0,0,0|0,0,0]=2 1946 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,1,0,0,0|1,0,0]=3 1947 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,1,0,0,0|1,0,0]=3 1948 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,1,0,0,0|1,0,0]=3 1949 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,1,0,0,0|1,0,0]=3 1950 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,1,0,0,0|1,0,0]=3 1951 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,1,0,0,0|1,0,0]=3 1952 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,1,0,0,0|1,0,0]=3 1953 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,1,0,0,0|1,0,0]=3 1954 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,1,0,0,0|1,0,0]=3 1955 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,1,0,0,0|1,0,0]=3 1956 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,1,0,0,0|1,0,0]=3 1957 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,1,0,0,0|1,0,0]=3 1958 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,1,0,0,0|0,0,0]=2 1959 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,1,0,0,0|0,0,0]=2 1960 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,1,0,0,0|0,0,0]=2 1961 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,1,0,0,0|0,0,0]=2 1962 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,1,0,0,0|0,0,0]=2 1963 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,1,0,0,0|0,0,0]=2 1964 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,1,0,0,0|0,0,0]=2 1965 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,1,0,0,0|0,0,0]=2 1966 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,1,0,0,0|0,0,0]=2 1967 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,1,0,0,0|0,0,1]=3 1968 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,1,0,0,0|0,0,2]=4 1969 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,1,0,0,0|0,0,0]=2 1970 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,1,0,0,0|0,0,0]=2 1971 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,1,0,0,0|0,0,0]=2 1972 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,1,0,0,0|0,0,0]=2 1973 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,1,0,0,0|1,0,1]=4 1974 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,1,0,0,0|1,0,0]=3 1975 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,1,0,0,0|1,0,0]=3 1976 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,1,0,0,0|1,0,0]=3 1977 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,1,0,0,0|1,0,0]=3 1978 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,1,0,0,0|1,0,0]=3 1979 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,1,0,0,0|1,0,0]=3 1980 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,1,0,0,0|1,0,0]=3 1981 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,1,0,0,0|1,0,0]=3 1982 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,1,0,0,0|1,0,1]=4 1983 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,1,0,0,0|1,0,1]=4 1984 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,1,0,0,0|1,0,1]=4 1985 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,1,0,0,0|1,0,1]=4 1986 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,1,0,0,0|1,0,1]=4 1987 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,1,0,0,0|1,0,1]=4 1988 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,1,0,0,0|1,0,1]=4 1989 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,1,0,0,0|1,0,1]=4 1990 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,1,0,0,0|1,0,0]=3 1991 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,1,0,0,0|1,0,0]=3 1992 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,1,0,0,0|0,0,0]=2 1993 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,1,0,0,0|1,0,0]=3 1994 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,1,0,0,0|1,0,0]=3 1995 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,1,1,0,0,0|0,0,2]=4 1996 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,1,1,0,0,0|1,0,1]=4 1997 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,1,1,0,0,0|1,0,1]=4 1998 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [0,1,1,0,0,0|1,0,0]=3 1999 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [0,1,1,0,0,0|1,0,0]=3 2000 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,1,1,0,0,0|1,0,1]=4 2001 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,1,1,0,0,0|1,0,1]=4 2002 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,1,1,0,0,0|1,0,1]=4 2003 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,1,1,0,0,0|1,0,1]=4 2004 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,1,1,0,0,0|1,0,1]=4 2005 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,1,1,0,0,0|1,0,1]=4 2006 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,1,1,0,0,0|1,0,1]=4 2007 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,1,1,0,0,0|1,0,1]=4 2008 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,1,1,0,0,0|1,0,1]=4 2009 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,1,1,0,0,0|1,0,1]=4 2010 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,1,1,0,0,0|1,0,1]=4 2011 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,1,1,0,0,0|2,0,0]=4 2012 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,1,1,0,0,0|2,0,0]=4 2013 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,1,1,0,0,0|1,0,1]=4 2014 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,1,1,0,0,0|1,0,1]=4 2015 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,1,1,0,0,0|1,0,1]=4 2016 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,1,1,0,0,0|1,0,1]=4 2017 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,1,1,0,0,0|2,0,0]=4 2018 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,1,1,0,0,0|2,0,0]=4 2019 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,1,1,0,0,0|2,0,0]=4 2020 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,1,1,0,0,0|2,0,0]=4 2021 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,1,1,0,0,0|1,0,1]=4 2022 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,1,1,0,0,0|1,0,1]=4 2023 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,1,1,0,0,0|1,0,1]=4 2024 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,1,1,0,0,0|1,0,1]=4 2025 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,1,1,0,0,0|2,0,0]=4 2026 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,1,1,0,0,0|2,0,0]=4 2027 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,1,1,0,0,0|2,0,0]=4 2028 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,1,1,0,0,0|2,0,0]=4 2029 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,1,1,0,0,0|2,0,0]=4 2030 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,1,1,0,0,0|2,0,0]=4 2031 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [0,1,1,0,0,0|2,0,0]=4 2032 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,1,1,0,0,0|1,0,1]=4 2033 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,1,1,0,0,0|1,0,1]=4 2034 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,1,1,0,0,0|1,0,1]=4 2035 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,1,1,0,0,0|1,0,1]=4 2036 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,1,1,0,0,0|1,0,1]=4 2037 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,1,1,0,0,0|1,0,1]=4 2038 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,1,1,0,0,0|1,0,1]=4 2039 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,1,1,0,0,0|1,0,1]=4 2040 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,1,1,0,0,0|1,0,1]=4 2041 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,1,1,0,0,0|1,0,1]=4 2042 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,1,1,0,0,0|2,0,0]=4 2043 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,1,1,0,0,0|2,0,0]=4 2044 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,1,0,0,0|0,0,2]=4 2045 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,1,0,0,0|1,0,1]=4 2046 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,1,0,0,0|1,0,1]=4 2047 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,1,1,0,0,0|2,0,0]=4 2048 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,1,1,0,0,0|2,0,0]=4 2049 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,1,1,0,0,0|2,0,0]=4 2050 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,1,1,0,0,0|1,0,1]=4 2051 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,1,1,0,0,0|1,0,1]=4 2052 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,1,1,0,0,0|1,0,1]=4 2053 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,1,1,0,0,0|1,0,1]=4 2054 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,1,1,0,0,0|1,0,1]=4 2055 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,1,1,0,0,0|1,0,1]=4 2056 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,1,1,0,0,0|1,0,1]=4 2057 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,1,1,0,0,0|1,0,1]=4 2058 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [0,1,1,0,0,0|1,0,1]=4 2059 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,1,1,0,0,0|1,0,0]=3 2060 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,1,1,0,0,0|1,0,0]=3 2061 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,1,1,0,0,0|1,0,0]=3 2062 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,1,1,0,0,0|1,0,0]=3 2063 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,1,1,0,0,0|1,0,0]=3 2064 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,1,1,0,0,0|1,0,0]=3 2065 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,1,1,0,0,0|1,0,0]=3 2066 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,1,1,0,0,0|2,0,0]=4 2067 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,1,1,0,0,0|2,0,0]=4 2068 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,1,1,0,0,0|1,0,0]=3 2069 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,1,1,0,0,0|1,0,0]=3 2070 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,1,1,0,0,0|1,0,0]=3 2071 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,1,1,0,0,0|1,0,0]=3 2072 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,1,1,0,0,0|1,0,0]=3 2073 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,1,1,0,0,0|1,0,0]=3 2074 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,1,1,0,0,0|1,0,0]=3 2075 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,1,1,0,0,0|1,0,0]=3 2076 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [0,1,1,0,0,0|1,0,1]=4 2077 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,1,1,0,0,0|1,0,1]=4 2078 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,1,1,0,0,0|1,0,1]=4 2079 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,1,1,0,0,0|1,0,1]=4 2080 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,1,1,0,0,0|1,0,1]=4 2081 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,1,1,0,0,0|1,0,1]=4 2082 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,1,1,0,0,0|1,0,1]=4 2083 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,1,1,0,0,0|1,0,1]=4 2084 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,1,1,0,0,0|1,0,1]=4 2085 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,1,1,0,0,0|1,0,1]=4 2086 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,1,1,0,0,0|1,0,1]=4 2087 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,1,1,0,0,0|1,0,1]=4 2088 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,1,1,0,0,0|1,0,1]=4 2089 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,1,1,0,0,0|1,0,1]=4 2090 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,1,1,0,0,0|1,0,1]=4 2091 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,1,1,0,0,0|1,0,1]=4 2092 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,1,1,0,0,0|2,0,0]=4 2093 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,1,1,0,0,0|2,0,0]=4 2094 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [0,1,1,0,0,0|2,0,0]=4 2095 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [0,1,1,0,0,0|2,0,0]=4 2096 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,1,1,0,0,0|0,0,2]=4 2097 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,1,1,0,0,0|0,0,2]=4 2098 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,1,1,0,0,0|1,0,1]=4 2099 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,1,1,0,0,0|1,0,1]=4 2100 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,1,1,0,0,0|1,0,1]=4 2101 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,1,1,0,0,0|1,0,1]=4 2102 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,1,1,0,0,0|1,0,1]=4 2103 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,1,1,0,0,0|1,0,1]=4 2104 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,1,1,0,0,0|1,0,1]=4 2105 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,1,1,0,0,0|1,0,1]=4 2106 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,1,1,0,0,0|1,0,1]=4 2107 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,1,1,0,0,0|1,0,1]=4 2108 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,1,1,0,0,0|1,0,1]=4 2109 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,1,1,0,0,0|1,0,1]=4 2110 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,1,1,0,0,0|1,0,1]=4 2111 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,1,1,0,0,0|1,0,1]=4 2112 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,1,1,0,0,0|1,0,1]=4 2113 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,1,1,0,0,0|1,0,1]=4 2114 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,1,1,0,0,0|1,0,1]=4 2115 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,1,1,0,0,0|1,0,1]=4 2116 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,1,1,0,0,0|1,0,1]=4 2117 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,1,1,0,0,0|1,0,1]=4 2118 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,1,1,0,0,0|1,0,1]=4 2119 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,1,1,0,0,0|1,0,1]=4 2120 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,1,1,0,0,0|1,0,1]=4 2121 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,1,1,0,0,0|1,0,1]=4 2122 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,1,1,0,0,0|1,0,1]=4 2123 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,1,1,0,0,0|1,0,1]=4 2124 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,1,1,0,0,0|1,0,1]=4 2125 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,1,1,0,0,0|1,0,1]=4 2126 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,1,1,0,0,0|1,0,1]=4 2127 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,1,1,0,0,0|1,0,1]=4 2128 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,1,1,0,0,0|1,0,1]=4 2129 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,1,1,0,0,0|1,0,1]=4 2130 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,1,1,0,0,0|1,0,1]=4 2131 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,1,1,0,0,0|1,0,1]=4 2132 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,1,1,0,0,0|1,0,1]=4 2133 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,1,1,0,0,0|0,0,2]=4 2134 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,1,1,0,0,0|0,0,2]=4 2135 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,1,1,0,0,0|0,0,2]=4 2136 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,1,1,0,0,0|0,0,2]=4 2137 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,1,1,0,0,0|0,0,2]=4 2138 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,1,1,0,0,0|0,0,2]=4 2139 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,1,1,0,0,0|1,0,0]=3 2140 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,1,1,0,0,0|0,0,2]=4 2141 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,1,1,0,0,0|0,0,2]=4 2142 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,1,1,0,0,0|1,0,1]=4 2143 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,1,1,0,0,0|1,0,1]=4 2144 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,1,1,0,0,0|1,0,1]=4 2145 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,1,1,0,0,0|1,0,1]=4 2146 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,1,1,0,0,0|2,0,0]=4 2147 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,1,1,0,0,0|2,0,0]=4 2148 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,1,1,0,0,0|2,0,0]=4 2149 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,1,1,0,0,0|2,0,0]=4 2150 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,1,1,0,0,0|2,0,0]=4 2151 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [0,1,1,0,0,0|2,0,0]=4 2152 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,1,1,0,0,0|1,0,0]=3 2153 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,1,1,0,0,0|1,0,0]=3 2154 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,1,1,0,0,0|1,0,1]=4 2155 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,1,1,0,0,0|1,0,1]=4 2156 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,1,1,0,0,0|2,0,0]=4 2157 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,1,1,0,0,0|2,0,0]=4 2158 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,1,1,0,0,0|2,0,0]=4 2159 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [0,1,1,0,0,0|0,0,2]=4 2160 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [0,1,1,0,0,0|0,0,0]=2 2161 B9R0.23 CN(CC(=O)O)C(=O)CCl MCULE-5510442150 [0,1,1,0,0,0|1,0,0]=3 2162 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,1,1,0,0,0|1,0,0]=3 2163 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,1,1,0,0,0|2,0,0]=4 2164 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,1,1,0,0,0|2,0,0]=4 2165 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,1,1,0,0,0|1,0,0]=3 2166 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,1,1,0,0,0|2,0,0]=4 2167 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,1,1,0,0,0|2,0,0]=4 2168 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,1,1,0,0,0|2,0,0]=4 2169 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,1,1,0,0,0|2,0,0]=4 2170 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,1,1,0,0,0|2,0,0]=4 2171 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,1,1,0,0,0|2,0,0]=4 2172 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,1,1,0,0,0|2,0,0]=4 2173 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,1,1,0,0,0|2,0,0]=4 2174 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,1,1,0,0,0|2,0,0]=4 2175 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,1,1,0,0,0|2,0,0]=4 2176 B9R0.23 CSC(=S)N(C)CC(=O)O MCULE-5618305057 [0,1,1,0,0,0|1,1,0]=4 2177 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,1,1,0,0,0|2,0,0]=4 2178 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,1,1,0,0,0|2,0,0]=4 2179 B9R0.24 CCC(=O)CCC(=O)CC MCULE-8095896851 [0,1,1,0,0,0|2,0,0]=4 2180 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,1,1,0,0,0|1,0,0]=3 2181 B9R0.24 CCC(=O)CNC(=O)CCl MCULE-4773484203 [0,1,1,0,0,0|2,0,0]=4 2182 B9R0.24 CCC(=O)NCC(=O)NN MCULE-8497711073 [0,1,1,0,0,0|1,0,0]=3 2183 B9R0.24 CCC(=O)NNC(=O)CC MCULE-6296442015 [0,1,1,0,0,0|2,0,0]=4 2184 B9R0.24 CCC(=O)NNC(=O)CCl MCULE-8356865212 [0,1,1,0,0,0|2,0,0]=4 2185 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,1,1,0,0,0|1,0,1]=4 2186 B9R0.24 CNC(=O)CNC(=O)CN MCULE-6194044808 [0,1,1,0,0,0|2,0,0]=4 2187 B9R0.24 CNC(=O)NNC(=O)CO MCULE-2379159340 [0,1,1,0,0,0|2,0,0]=4 2188 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [0,1,1,0,0,0|2,0,0]=4 2189 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [0,1,1,0,0,0|2,0,0]=4 2190 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,1,1,0,0,0|2,0,0]=4 2191 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,1,1,0,0,0|2,0,0]=4 2192 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [0,1,1,0,0,0|2,0,0]=4 2193 B9R0.24 COC(=O)CNC(=O)CCl MCULE-6457273538 [0,1,1,0,0,0|1,0,0]=3 2194 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,1,1,0,0,0|1,0,0]=3 2195 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,1,1,0,0,0|1,0,0]=3 2196 B9R0.24 COC(=O)CNC(=O)OC MCULE-1305795476 [0,1,1,0,0,0|1,0,0]=3 2197 B9R0.24 COC(=O)NNC(=O)OC MCULE-3681044847 [0,1,1,0,0,0|2,0,0]=4 2198 B9R0.48 CC(=O)NNC(=O)CCCl MCULE-7221468890 [0,1,1,0,0,0|2,0,0]=4 2199 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [0,1,1,0,0,0|0,0,1]=3 2200 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,1,1,0,0,0|2,0,0]=4 2201 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,1,1,0,0,0|1,0,0]=3 2202 B9R0.48 CCCC(=O)NCC(=O)N MCULE-4903049688 [0,1,1,0,0,0|1,0,0]=3 2203 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,1,1,0,0,0|0,0,0]=2 2204 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,1,1,0,0,0|1,0,1]=4 2205 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,1,1,0,0,0|1,0,0]=3 2206 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,1,1,0,0,0|0,1,0]=3 2207 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,1,1,0,0,0|1,0,1]=4 2208 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,1,1,0,0,0|1,0,1]=4 2209 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,1,1,0,0,0|1,0,1]=4 2210 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,1,1,0,0,0|2,0,0]=4 2211 B9R0.48 CCOC(=O)CCC(=O)Cl MCULE-6113832364 [0,1,1,0,0,0|2,0,0]=4 2212 B9R0.48 CCOC(=O)CCC(=O)N MCULE-4243878001 [0,1,1,0,0,0|2,0,0]=4 2213 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,1,1,0,0,0|1,0,0]=3 2214 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [0,1,1,0,0,0|0,0,0]=2 2215 B9R0.48 CCOC(=O)NCC(C)O MCULE-7884037300 [0,1,1,0,0,0|1,0,1]=4 2216 B9R0.48 CCOC(=S)SCC(=O)O MCULE-8546838454 [0,1,1,0,0,0|1,1,0]=4 2217 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,1,1,0,0,0|0,0,0]=2 2218 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,1,1,0,0,0|1,0,1]=4 2219 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,1,1,0,0,0|1,0,1]=4 2220 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [0,1,1,0,0,0|1,0,1]=4 2221 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,1,1,0,0,0|0,0,0]=2 2222 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,1,1,0,0,0|0,0,0]=2 2223 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,1,1,0,0,0|2,0,0]=4 2224 B9R0.64 CCS(=O)(=O)NCC(=O)O MCULE-6269745813 [0,1,1,0,0,0|1,0,0]=3 2225 B9R0.64 CNS(=O)(=O)NCC(=O)O MCULE-3765913828 [0,1,1,0,0,0|2,0,0]=4 2226 B9R0.15 C=CCC(CCC)C(=O)O MCULE-5379398676 [0,1,1,0,0,0|2,0,0]=4 2227 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [0,1,1,0,0,0|0,0,0]=2 2228 B9R0.29 CCC(C(=O)O)N(C)CC MCULE-1956799237 [0,1,1,0,0,0|1,0,1]=4 2229 B9R0.33 C=CCC(C(=O)O)C(C)C MCULE-6557819980 [0,1,1,0,0,0|2,0,0]=4 2230 B9R0.33 CC(C)[C@H](NC=O)C(=O)O MCULE-7474560828 [0,1,1,0,0,0|0,0,0]=2 2231 B9R0.33 CC(C)[C@H](NC=O)C(=O)O MCULE-9296824406 [0,1,1,0,0,0|0,0,0]=2 2232 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-2742420034 [0,1,1,0,0,0|1,0,1]=4 2233 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-6750636271 [0,1,1,0,0,0|1,0,1]=4 2234 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,1,1,0,0,0|1,0,0]=3 2235 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [0,1,1,0,0,0|2,0,0]=4 2236 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,1,1,0,0,0|1,0,0]=3 2237 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,1,1,0,0,0|1,0,0]=3 2238 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,1,1,0,0,0|1,0,0]=3 2239 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,1,1,0,0,0|1,0,0]=3 2240 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [0,1,1,0,0,0|2,0,0]=4 2241 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [0,1,1,0,0,0|2,0,0]=4 2242 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,1,1,0,0,0|1,0,0]=3 2243 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,1,1,0,0,0|1,0,0]=3 2244 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,1,1,0,0,0|1,0,0]=3 2245 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,1,1,0,0,0|1,0,0]=3 2246 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,1,1,0,0,0|1,0,0]=3 2247 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [0,1,1,0,0,0|2,0,0]=4 2248 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,1,0,0,0|1,0,0]=3 2249 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,1,1,0,0,0|0,0,0]=2 2250 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,1,1,0,0,0|0,0,0]=2 2251 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,1,1,0,0,0|0,0,0]=2 2252 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,1,1,0,0,0|1,0,1]=4 2253 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,1,1,0,0,0|1,0,1]=4 2254 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,1,1,0,0,0|0,0,0]=2 2255 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,1,1,0,0,0|0,0,0]=2 2256 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,1,0,0,0|2,0,0]=4 2257 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,1,1,0,0,0|2,0,0]=4 2258 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,1,0,0,0|2,0,0]=4 2259 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,1,0,0,0|2,0,0]=4 2260 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,1,0,0,0|2,0,0]=4 2261 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,1,1,0,0,0|2,0,0]=4 2262 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,1,0,0,0|2,0,0]=4 2263 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,1,0,0,0|2,0,0]=4 2264 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,1,0,0,0|2,0,0]=4 2265 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,1,0,0,0|2,0,0]=4 2266 B9R0.39 N=C(N)N[C@@H](CS)C(=O)O MCULE-8761842896 [0,1,1,0,0,0|2,0,0]=4 2267 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,1,1,0,0,0|1,0,0]=3 2268 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,1,1,0,0,0|1,0,0]=3 2269 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,1,1,0,0,0|1,0,0]=3 2270 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,1,0,0,0|2,0,0]=4 2271 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,1,0,0,0|2,0,0]=4 2272 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,1,0,0,0|2,0,0]=4 2273 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,1,1,0,0,0|2,0,0]=4 2274 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,1,0,0,0|1,0,0]=3 2275 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [0,1,1,0,0,0|0,0,0]=2 2276 B9R0.11 CC(=O)OC(C)(C)C(=O)Br MCULE-1873853072 [0,1,1,0,0,0|2,0,0]=4 2277 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl MCULE-8604882443 [0,1,1,0,0,0|2,0,0]=4 2278 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [0,1,1,0,0,0|1,0,0]=3 2279 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,1,0,0,0|2,0,0]=4 2280 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,1,1,0,0,0|1,0,0]=3 2281 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [0,1,1,0,0,0|1,0,0]=3 2282 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,1,0,0,0|2,0,0]=4 2283 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,1,0,0,0|2,0,0]=4 2284 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,1,0,0,0|2,0,0]=4 2285 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,1,0,0,0|2,0,0]=4 2286 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,1,0,0,0|2,0,0]=4 2287 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,1,0,0,0|2,0,0]=4 2288 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,1,0,0,0|2,0,0]=4 2289 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,1,0,0,0|2,0,0]=4 2290 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,1,0,0,0|2,0,0]=4 2291 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,1,1,0,0,0|2,0,0]=4 2292 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8104914924 [0,1,1,0,0,0|1,0,1]=4 2293 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8686537841 [0,1,1,0,0,0|1,0,1]=4 2294 B9R0.57 CC(NS(=O)(=O)C)C(=O)O MCULE-2056263094 [0,1,1,0,0,0|1,0,0]=3 2295 B9R0.57 CC(OS(=O)(=O)C)C(=O)O MCULE-6814271322 [0,1,1,0,0,0|2,0,0]=4 2296 B9R0.57 C[C@@H](OS(=O)(=O)C)C(=O)O MCULE-3187136828 [0,1,1,0,0,0|2,0,0]=4 2297 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-2778053479 [0,1,1,0,0,0|2,0,0]=4 2298 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-4590226415 [0,1,1,0,0,0|2,0,0]=4 2299 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,1,1,0,0,0|2,0,0]=4 2300 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,1,1,0,0,0|0,0,0]=2 2301 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,1,0,0,0|2,0,0]=4 2302 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,1,0,0,0|2,0,0]=4 2303 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,1,0,0,0|2,0,0]=4 2304 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,1,0,0,0|2,0,0]=4 2305 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,1,0,0,0|2,0,0]=4 2306 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,1,0,0,0|2,0,0]=4 2307 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,1,0,0,0|2,0,0]=4 2308 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,1,1,0,0,0|2,0,0]=4 2309 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,1,1,0,0,0|2,0,0]=4 2310 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,1,1,0,0,0|1,0,0]=3 2311 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,1,1,0,0,0|2,0,0]=4 2312 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,1,1,0,0,0|2,0,0]=4 2313 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,1,0,0,0|0,0,0]=2 2314 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,1,0,0,0|1,0,0]=3 2315 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,1,0,0,0|1,0,0]=3 2316 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,1,1,0,0,0|1,0,0]=3 2317 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,1,1,0,0,0|1,0,0]=3 2318 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,1,0,0,0|1,0,0]=3 2319 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,1,1,0,0,0|0,1,0]=3 2320 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [0,1,1,0,0,0|2,0,0]=4 2321 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,1,1,0,0,0|2,0,0]=4 2322 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,1,0,0,0|1,0,0]=3 2323 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,1,0,0,0|2,0,0]=4 2324 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,1,1,0,0,0|2,0,0]=4 2325 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,1,0,0,0|2,0,0]=4 2326 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,1,1,0,0,0|2,0,0]=4 2327 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,1,0,0,0|2,0,0]=4 2328 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,1,0,0,0|2,0,0]=4 2329 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,1,0,0,0|0,0,0]=2 2330 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,1,0,0,0|0,0,0]=2 2331 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,1,1,0,0,0|2,0,0]=4 2332 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,1,1,0,0,0|2,0,0]=4 2333 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,1,1,0,0,0|2,0,0]=4 2334 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,1,1,0,0,0|2,0,0]=4 2335 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,1,1,0,0,0|2,0,0]=4 2336 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,1,0,0,0|2,0,0]=4 2337 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,1,0,0,0|2,0,0]=4 2338 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,1,1,0,0,0|1,0,0]=3 2339 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,1,0,0,0|1,0,0]=3 2340 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,1,0,0,0|1,0,0]=3 2341 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,1,0,0,0|2,0,0]=4 2342 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,1,0,0,0|2,0,0]=4 2343 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,1,0,0,0|1,0,0]=3 2344 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,1,0,0,0|1,0,0]=3 2345 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,1,0,0,0|2,0,0]=4 2346 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,1,0,0,0|1,0,1]=4 2347 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,1,0,0,0|1,0,0]=3 2348 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,1,0,0,0|2,0,0]=4 2349 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,1,0,0,0|2,0,0]=4 2350 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [0,1,1,0,0,0|2,0,0]=4 2351 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,1,1,0,0,0|1,0,0]=3 2352 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [0,1,1,0,0,0|2,0,0]=4 2353 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,1,1,0,0,0|2,0,0]=4 2354 B9R1.7 C=CCC1CCC(=O)C1 MCULE-2799866455 [1,1,0,0,0,0|2,0,0]=4 2355 B9R1.7 CCOC1CCC(=O)N1 MCULE-6221129998 [1,1,0,0,0,0|1,0,1]=4 2356 B9R1.7 CNCC1CCC(=O)N1 MCULE-3081580104 [1,1,0,0,0,0|1,0,1]=4 2357 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-2568268658 [1,1,0,0,0,0|1,0,1]=4 2358 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-3483815914 [1,1,0,0,0,0|1,0,1]=4 2359 B9R1.7 COCC1CCC(=O)C1 MCULE-5327398944 [1,1,0,0,0,0|1,0,1]=4 2360 B9R1.7 N#CCC1CCC(=O)N1 MCULE-1936081162 [1,1,0,0,0,0|1,0,1]=4 2361 B9R1.7 N#CC[C@@H]1CCC(=O)N1 MCULE-6728125451 [1,1,0,0,0,0|1,0,1]=4 2362 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-1463443311 [1,1,0,0,0,0|1,0,1]=4 2363 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-3830054780 [1,1,0,0,0,0|1,0,1]=4 2364 B9R1.7 NCCC1CCC(=O)N1 MCULE-5980289637 [1,1,0,0,0,0|1,0,1]=4 2365 B9R1.7 NCC[C@@H]1CCC(=O)N1 MCULE-8053535061 [1,1,0,0,0,0|1,0,1]=4 2366 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [1,1,0,0,0,0|0,0,1]=3 2367 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [1,1,0,0,0,0|0,0,1]=3 2368 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [1,1,0,0,0,0|0,0,1]=3 2369 B9R1.22 CC1CC(=O)NC1CO MCULE-1890923185 [1,1,0,0,0,0|0,0,1]=3 2370 B9R1.22 C[C@@H]1CC(=O)N[C@@H]1CO MCULE-7022189173 [1,1,0,0,0,0|0,0,1]=3 2371 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CO MCULE-2239273281 [1,1,0,0,0,0|0,0,1]=3 2372 B9R1.22 C[C@H]1CC(=O)N[C@@H]1CO MCULE-6299915210 [1,1,0,0,0,0|0,0,1]=3 2373 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO MCULE-9870605893 [1,1,0,0,0,0|0,0,1]=3 2374 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [1,1,0,0,0,0|1,0,1]=4 2375 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [1,1,0,0,0,0|1,0,1]=4 2376 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [1,1,0,0,0,0|1,0,1]=4 2377 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [1,1,0,0,0,0|1,0,1]=4 2378 B9R1.23 CN1CC(CC1=O)C=O MCULE-7956490044 [1,1,0,0,0,0|2,0,0]=4 2379 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [1,1,0,0,0,0|2,0,0]=4 2380 B9R1.125 CC1(CCC(=O)N1)C#N MCULE-1747516411 [1,1,0,0,0,0|1,0,1]=4 2381 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [1,1,0,0,0,0|1,0,1]=4 2382 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [1,1,0,0,0,0|1,0,1]=4 2383 B9R1.125 CC1(CCC(=O)N1)CO MCULE-9700105207 [1,1,0,0,0,0|0,0,1]=3 2384 B9R1.125 CC1(COC(=O)N1)CO MCULE-7873521103 [1,1,0,0,0,0|1,0,1]=4 2385 B9R1.132 CN1C(=O)CCC1C#N MCULE-7353146419 [1,1,0,0,0,0|1,0,1]=4 2386 B9R1.132 CN1C(=O)CCC1CBr MCULE-9411477362 [1,1,0,0,0,0|1,0,1]=4 2387 B9R1.132 CN1C(=O)CCC1CN MCULE-5871779409 [1,1,0,0,0,0|1,0,1]=4 2388 B9R1.132 CN1C(=O)CCC1CN MCULE-8080412333 [1,1,0,0,0,0|1,0,1]=4 2389 B9R1.132 CN1C(=O)CCC1CO MCULE-1191755112 [1,1,0,0,0,0|0,0,1]=3 2390 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-8818444582 [1,1,0,0,0,0|1,0,1]=4 2391 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-9421193159 [1,1,0,0,0,0|1,0,1]=4 2392 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-3774785586 [1,1,0,0,0,0|0,0,1]=3 2393 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-6918454394 [1,1,0,0,0,0|0,0,1]=3 2394 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-2222415070 [1,1,0,0,0,0|1,0,1]=4 2395 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-5580238692 [1,1,0,0,0,0|1,0,1]=4 2396 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-2827633861 [1,1,0,0,0,0|0,0,1]=3 2397 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-6009129420 [1,1,0,0,0,0|0,0,1]=3 2398 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [1,1,0,0,0,0|1,0,1]=4 2399 B9R1.133 O=S1(=O)CCC(N1)CO MCULE-6691523553 [1,1,0,0,0,0|1,0,1]=4 2400 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [1,1,0,0,0,0|2,0,0]=4 2401 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [1,1,0,0,0,0|2,0,0]=4 2402 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [1,1,0,0,0,0|2,0,0]=4 2403 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [1,1,0,0,0,0|2,0,0]=4 2404 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [1,1,0,0,0,0|1,0,1]=4 2405 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [1,1,0,0,0,0|1,0,1]=4 2406 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [1,1,0,0,0,0|1,0,1]=4 2407 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [1,1,0,0,0,0|1,0,1]=4 2408 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [1,1,0,0,0,0|1,0,1]=4 2409 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [1,1,0,0,0,0|1,0,1]=4 2410 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [1,1,0,0,0,0|1,0,1]=4 2411 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [1,1,0,0,0,0|1,0,1]=4 2412 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [1,1,0,0,0,0|1,0,1]=4 2413 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [1,1,0,0,0,0|1,0,1]=4 2414 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [1,1,0,0,0,0|1,0,1]=4 2415 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [1,1,0,0,0,0|1,0,1]=4 2416 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [1,1,0,0,0,0|1,0,1]=4 2417 B9R1.11 COC(=O)C1C=CCN1 MCULE-5230080312 [1,1,0,0,0,0|2,0,0]=4 2418 B9R1.11 COC(=O)C1C=CCN1 MCULE-8144796741 [1,1,0,0,0,0|2,0,0]=4 2419 B9R1.11 COC(=O)C1CC=CC1 MCULE-9983636796 [1,1,0,0,0,0|1,0,1]=4 2420 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [1,1,0,0,0,0|1,0,1]=4 2421 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [1,1,0,0,0,0|0,0,1]=3 2422 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [1,1,0,0,0,0|0,0,1]=3 2423 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [1,1,0,0,0,0|0,0,1]=3 2424 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [1,1,0,0,0,0|0,0,1]=3 2425 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [1,1,0,0,0,0|1,0,1]=4 2426 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [1,1,0,0,0,0|1,0,1]=4 2427 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [1,1,0,0,0,0|2,0,0]=4 2428 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [1,1,0,0,0,0|2,0,0]=4 2429 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [1,1,0,0,0,0|2,0,0]=4 2430 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [1,1,0,0,0,0|2,0,0]=4 2431 B9R1.11 COC(=O)C1CNC=N1 MCULE-8028237108 [1,1,0,0,0,0|1,0,1]=4 2432 B9R1.11 COC(=O)C1CSCN1 MCULE-5351052142 [1,1,0,0,0,0|1,0,1]=4 2433 B9R1.11 COC(=O)C1CSCN1 MCULE-9093296447 [1,1,0,0,0,0|1,0,1]=4 2434 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [1,1,0,0,0,0|1,0,1]=4 2435 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-1869723316 [1,1,0,0,0,0|2,0,0]=4 2436 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5370163237 [1,1,0,0,0,0|2,0,0]=4 2437 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5818736163 [1,1,0,0,0,0|2,0,0]=4 2438 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-7249261083 [1,1,0,0,0,0|2,0,0]=4 2439 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [1,1,0,0,0,0|0,0,1]=3 2440 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [1,1,0,0,0,0|0,0,1]=3 2441 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [1,1,0,0,0,0|0,0,1]=3 2442 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [1,1,0,0,0,0|0,0,1]=3 2443 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [1,1,0,0,0,0|2,0,0]=4 2444 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [1,1,0,0,0,0|2,0,0]=4 2445 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [1,1,0,0,0,0|2,0,0]=4 2446 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [1,1,0,0,0,0|2,0,0]=4 2447 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [1,1,0,0,0,0|2,0,0]=4 2448 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [1,1,0,0,0,0|2,0,0]=4 2449 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [1,1,0,0,0,0|2,0,0]=4 2450 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [1,1,0,0,0,0|2,0,0]=4 2451 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-5459284567 [1,1,0,0,0,0|1,0,1]=4 2452 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-6009801924 [1,1,0,0,0,0|1,0,1]=4 2453 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [1,1,0,0,0,0|0,0,1]=3 2454 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [1,1,0,0,0,0|0,0,1]=3 2455 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [1,1,0,0,0,0|0,0,1]=3 2456 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [1,1,0,0,0,0|0,0,1]=3 2457 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [1,1,0,0,0,0|2,0,0]=4 2458 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [1,1,0,0,0,0|2,0,0]=4 2459 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [1,1,0,0,0,0|2,0,0]=4 2460 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [1,1,0,0,0,0|2,0,0]=4 2461 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [1,1,0,0,0,0|2,0,0]=4 2462 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [1,1,0,0,0,0|2,0,0]=4 2463 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [1,1,0,0,0,0|2,0,0]=4 2464 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [1,1,0,0,0,0|2,0,0]=4 2465 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [1,1,0,0,0,0|1,0,1]=4 2466 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [1,1,0,0,0,0|1,0,1]=4 2467 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [1,1,0,0,0,0|1,0,1]=4 2468 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [1,1,0,0,0,0|1,0,1]=4 2469 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [1,1,0,0,0,0|0,0,1]=3 2470 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [1,1,0,0,0,0|1,0,1]=4 2471 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,1,0,0,0,0|0,0,1]=3 2472 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,1,0,0,0,0|0,0,1]=3 2473 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [1,1,0,0,0,0|2,0,0]=4 2474 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [1,1,0,0,0,0|2,0,0]=4 2475 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [1,1,0,0,0,0|2,0,0]=4 2476 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [1,1,0,0,0,0|2,0,0]=4 2477 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [1,1,0,0,0,0|2,0,0]=4 2478 B9R1.41 CN1CC=CC1C(=O)O MCULE-5525753116 [1,1,0,0,0,0|2,0,0]=4 2479 B9R1.41 CN1CC=CC1C(=O)O MCULE-8585806688 [1,1,0,0,0,0|2,0,0]=4 2480 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [1,1,0,0,0,0|1,0,1]=4 2481 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [1,1,0,0,0,0|0,0,1]=3 2482 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [1,1,0,0,0,0|0,0,1]=3 2483 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [1,1,0,0,0,0|0,0,1]=3 2484 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [1,1,0,0,0,0|1,0,1]=4 2485 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [1,1,0,0,0,0|1,0,1]=4 2486 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [1,1,0,0,0,0|0,0,1]=3 2487 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [1,1,0,0,0,0|0,0,1]=3 2488 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [1,1,0,0,0,0|0,0,1]=3 2489 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [1,1,0,0,0,0|0,0,1]=3 2490 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [1,1,0,0,0,0|1,0,1]=4 2491 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [1,1,0,0,0,0|1,0,1]=4 2492 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [1,1,0,0,0,0|0,0,1]=3 2493 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [1,1,0,0,0,0|0,0,1]=3 2494 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [1,1,0,0,0,0|0,0,1]=3 2495 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [1,1,0,0,0,0|0,0,1]=3 2496 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [1,1,0,0,0,0|1,0,1]=4 2497 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [1,1,0,0,0,0|1,0,1]=4 2498 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [1,1,0,0,0,0|1,0,1]=4 2499 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [1,1,0,0,0,0|1,0,1]=4 2500 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [1,1,0,0,0,0|1,0,1]=4 2501 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [1,1,0,0,0,0|1,0,1]=4 2502 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [1,1,0,0,0,0|1,0,1]=4 2503 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,1,0,0,0,0|0,0,1]=3 2504 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,1,0,0,0,0|0,0,1]=3 2505 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,1,0,0,0,0|0,0,1]=3 2506 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [1,1,0,0,0,0|1,0,1]=4 2507 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [1,1,0,0,0,0|2,0,0]=4 2508 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [1,1,0,0,0,0|2,0,0]=4 2509 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [1,1,0,0,0,0|2,0,0]=4 2510 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [1,1,0,0,0,0|2,0,0]=4 2511 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [1,1,0,0,0,0|2,0,0]=4 2512 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [1,1,0,0,0,0|2,0,0]=4 2513 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [1,1,0,0,0,0|2,0,0]=4 2514 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,1,0,0,0,0|0,0,1]=3 2515 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,1,0,0,0,0|0,0,1]=3 2516 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,1,0,0,0,0|0,0,1]=3 2517 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [1,1,0,0,0,0|2,0,0]=4 2518 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [1,1,0,0,0,0|2,0,0]=4 2519 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [1,1,0,0,0,0|2,0,0]=4 2520 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [1,1,0,0,0,0|2,0,0]=4 2521 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [1,1,0,0,0,0|1,0,1]=4 2522 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [1,1,0,0,0,0|1,0,1]=4 2523 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [1,1,0,0,0,0|1,0,1]=4 2524 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [1,1,0,0,0,0|1,0,1]=4 2525 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [1,1,0,0,0,0|1,0,1]=4 2526 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [1,1,0,0,0,0|1,0,1]=4 2527 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [1,1,0,0,0,0|1,0,1]=4 2528 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [1,1,0,0,0,0|1,0,1]=4 2529 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [1,1,0,0,0,0|1,0,1]=4 2530 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [1,1,0,0,0,0|1,0,1]=4 2531 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [1,1,0,0,0,0|0,0,1]=3 2532 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [1,1,0,0,0,0|0,0,1]=3 2533 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [1,1,0,0,0,0|2,0,0]=4 2534 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [1,1,0,0,0,0|2,0,0]=4 2535 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [1,1,0,0,0,0|2,0,0]=4 2536 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [1,1,0,0,0,0|0,0,1]=3 2537 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [1,1,0,0,0,0|1,0,1]=4 2538 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [1,1,0,0,0,0|1,0,1]=4 2539 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [1,1,0,0,0,0|1,0,1]=4 2540 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [1,1,0,0,0,0|1,0,1]=4 2541 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [1,1,0,0,0,0|1,0,1]=4 2542 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [1,1,0,0,0,0|1,0,1]=4 2543 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [1,1,0,0,0,0|1,0,1]=4 2544 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [1,1,0,0,0,0|1,0,1]=4 2545 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [1,1,0,0,0,0|0,0,1]=3 2546 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [1,1,0,0,0,0|0,0,1]=3 2547 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [1,1,0,0,0,0|0,0,1]=3 2548 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [1,1,0,0,0,0|0,0,1]=3 2549 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [1,1,0,0,0,0|2,0,0]=4 2550 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [1,1,0,0,0,0|2,0,0]=4 2551 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [1,1,0,0,0,0|1,0,1]=4 2552 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [1,1,0,0,0,0|1,0,1]=4 2553 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [1,1,0,0,0,0|1,0,1]=4 2554 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [1,1,0,0,0,0|1,0,1]=4 2555 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [1,1,0,0,0,0|1,0,1]=4 2556 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [1,1,0,0,0,0|1,0,1]=4 2557 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [1,1,0,0,0,0|1,0,1]=4 2558 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [1,1,0,0,0,0|1,0,1]=4 2559 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [1,1,0,0,0,0|1,0,1]=4 2560 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [1,1,0,0,0,0|1,0,1]=4 2561 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [1,1,0,0,0,0|2,0,0]=4 2562 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [1,1,0,0,0,0|2,0,0]=4 2563 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [1,1,0,0,0,0|2,0,0]=4 2564 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [1,1,0,0,0,0|2,0,0]=4 2565 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [1,1,0,0,0,0|1,0,1]=4 2566 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,1,0,0,0,0|1,0,1]=4 2567 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [1,1,0,0,0,0|2,0,0]=4 2568 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [1,1,0,0,0,0|2,0,0]=4 2569 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,1,0,0,0,0|2,0,0]=4 2570 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,1,0,0,0,0|2,0,0]=4 2571 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [1,1,0,0,0,0|2,0,0]=4 2572 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [1,1,0,0,0,0|0,0,1]=3 2573 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [1,1,0,0,0,0|0,0,1]=3 2574 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,1,0,0,0,0|0,0,1]=3 2575 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,1,0,0,0,0|0,0,1]=3 2576 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,1,0,0,0,0|0,0,1]=3 2577 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [1,1,0,0,0,0|2,0,0]=4 2578 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [1,1,0,0,0,0|0,0,1]=3 2579 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [1,1,0,0,0,0|0,0,1]=3 2580 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,1,0,0,0,0|0,0,1]=3 2581 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,1,0,0,0,0|0,0,1]=3 2582 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,1,0,0,0,0|0,0,1]=3 2583 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,1,0,0,0,0|0,0,1]=3 2584 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,1,0,0,0,0|0,0,1]=3 2585 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [1,1,0,0,0,0|0,0,1]=3 2586 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [1,1,0,0,0,0|0,0,1]=3 2587 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,1,0,0,0,0|0,0,1]=3 2588 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,1,0,0,0,0|0,0,1]=3 2589 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,1,0,0,0,0|0,0,1]=3 2590 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,1,0,0,0,0|0,0,1]=3 2591 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,1,0,0,0,0|0,0,2]=4 2592 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,1,0,0,0,0|1,0,1]=4 2593 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [1,1,0,0,0,0|0,0,1]=3 2594 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [1,1,0,0,0,0|0,0,1]=3 2595 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [1,1,0,0,0,0|0,0,1]=3 2596 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [1,1,0,0,0,0|0,0,1]=3 2597 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,1,0,0,0,0|0,0,1]=3 2598 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,1,0,0,0,0|0,0,1]=3 2599 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,1,0,0,0,0|0,0,1]=3 2600 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [1,1,0,0,0,0|0,0,1]=3 2601 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,1,0,0,0,0|0,0,1]=3 2602 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,1,0,0,0,0|0,0,1]=3 2603 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,1,0,0,0,0|0,0,1]=3 2604 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,1,0,0,0,0|0,0,1]=3 2605 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,1,0,0,0,0|0,0,1]=3 2606 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,1,0,0,0,0|0,0,1]=3 2607 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,1,0,0,0,0|0,0,1]=3 2608 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,1,0,0,0,0|0,0,1]=3 2609 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,1,0,0,0,0|0,0,1]=3 2610 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [1,1,0,0,0,0|1,0,0]=3 2611 B9R1.163 CC1(CC=CC1)C(=O)O MCULE-6612456038 [1,1,0,0,0,0|1,0,1]=4 2612 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [1,1,0,0,0,0|1,0,1]=4 2613 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [1,1,0,0,0,0|1,0,1]=4 2614 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [1,1,0,0,0,0|1,0,1]=4 2615 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [1,1,0,0,0,0|1,0,1]=4 2616 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [1,1,0,0,0,0|0,0,1]=3 2617 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [1,1,0,0,0,0|0,0,1]=3 2618 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [1,1,0,0,0,0|0,0,1]=3 2619 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [1,1,0,0,0,0|0,0,1]=3 2620 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [1,1,0,0,0,0|0,0,1]=3 2621 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [1,1,0,0,0,0|1,0,1]=4 2622 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [1,1,0,0,0,0|1,0,1]=4 2623 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [1,1,0,0,0,0|2,0,0]=4 2624 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [1,1,0,0,0,0|2,0,0]=4 2625 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [1,1,0,0,0,0|2,0,0]=4 2626 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [1,1,0,0,0,0|1,0,1]=4 2627 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [1,1,0,0,0,0|0,0,1]=3 2628 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [1,1,0,0,0,0|0,0,1]=3 2629 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [1,1,0,0,0,0|0,0,1]=3 2630 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [1,1,0,0,0,0|0,0,1]=3 2631 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [1,1,0,0,0,0|1,0,1]=4 2632 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [1,1,0,0,0,0|2,0,0]=4 2633 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [1,1,0,0,0,0|2,0,0]=4 2634 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [1,1,0,0,0,0|2,0,0]=4 2635 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [1,1,0,0,0,0|1,0,1]=4 2636 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [1,1,0,0,0,0|1,0,1]=4 2637 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [1,1,0,0,0,0|1,0,1]=4 2638 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [1,1,0,0,0,0|0,0,1]=3 2639 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [1,1,0,0,0,0|0,0,1]=3 2640 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [1,1,0,0,0,0|0,0,1]=3 2641 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [1,1,0,0,0,0|0,0,1]=3 2642 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [1,1,0,0,0,0|1,0,1]=4 2643 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [1,1,0,0,0,0|2,0,0]=4 2644 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [1,1,0,0,0,0|2,0,0]=4 2645 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [1,1,0,0,0,0|1,0,1]=4 2646 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [1,1,0,0,0,0|1,0,1]=4 2647 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [1,1,0,0,0,0|1,0,1]=4 2648 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [1,1,0,0,0,0|2,0,0]=4 2649 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [1,1,0,0,0,0|2,0,0]=4 2650 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [1,1,0,0,0,0|2,0,0]=4 2651 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [1,1,0,0,0,0|2,0,0]=4 2652 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [1,1,0,0,0,0|2,0,0]=4 2653 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [1,1,0,0,0,0|2,0,0]=4 2654 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [1,1,0,0,0,0|2,0,0]=4 2655 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [1,1,0,0,0,0|2,0,0]=4 2656 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [1,1,0,0,0,0|2,0,0]=4 2657 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [1,1,0,0,0,0|2,0,0]=4 2658 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [1,1,0,0,0,0|2,0,0]=4 2659 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [1,1,0,0,0,0|2,0,0]=4 2660 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [1,1,0,0,0,0|2,0,0]=4 2661 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [1,1,0,0,0,0|2,0,0]=4 2662 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [1,1,0,0,0,0|2,0,0]=4 2663 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [1,1,0,0,0,0|2,0,0]=4 2664 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [1,1,0,0,0,0|1,0,1]=4 2665 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [1,1,0,0,0,0|1,0,1]=4 2666 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [1,1,0,0,0,0|1,0,1]=4 2667 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [1,1,0,0,0,0|2,0,0]=4 2668 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [1,1,0,0,0,0|2,0,0]=4 2669 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [1,1,0,0,0,0|2,0,0]=4 2670 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [1,1,0,0,0,0|2,0,0]=4 2671 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [1,1,0,0,0,0|2,0,0]=4 2672 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [1,1,0,0,0,0|2,0,0]=4 2673 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [1,1,0,0,0,0|2,0,0]=4 2674 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [1,1,0,0,0,0|2,0,0]=4 2675 B9R1.82 C=C1CC(C1)C(=O)OC MCULE-8011797750 [0,1,0,0,1,0|2,0,0]=4 2676 B9R1.82 COC(=O)C1CC(=O)C1 MCULE-8671943269 [0,1,0,0,1,0|1,0,0]=3 2677 B9R1.82 COC(=O)N1CC(=O)C1 MCULE-2799623238 [0,1,0,0,1,0|2,0,0]=4 2678 B9R1.152 C=C(C)C1(CC(=O)N1)C MCULE-1394575254 [0,1,0,0,1,0|2,0,0]=4 2679 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,0,1,0|2,0,0]=4 2680 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,0,1,0|2,0,0]=4 2681 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,0,1,0|1,0,0]=3 2682 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [0,1,0,0,1,0|2,0,0]=4 2683 B9R1.52 CC1CN(C1C(=O)O)C MCULE-8572324743 [0,1,0,0,1,0|2,0,0]=4 2684 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-1157987768 [0,1,0,0,1,0|2,0,0]=4 2685 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-2203210701 [0,1,0,0,1,0|2,0,0]=4 2686 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C MCULE-7173137112 [0,1,0,0,1,0|2,0,0]=4 2687 B9R1.81 COC(=O)C1CCC1N MCULE-4693145444 [0,1,0,0,1,0|1,0,1]=4 2688 B9R1.81 COC(=O)C1CCC1N MCULE-6349653007 [0,1,0,0,1,0|1,0,1]=4 2689 B9R1.81 COC(=O)C1CCC1N MCULE-9208418191 [0,1,0,0,1,0|1,0,1]=4 2690 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3799679764 [0,1,0,0,1,0|1,0,1]=4 2691 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3866135678 [0,1,0,0,1,0|1,0,1]=4 2692 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-5783135311 [0,1,0,0,1,0|1,0,1]=4 2693 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7358443789 [0,1,0,0,1,0|1,0,1]=4 2694 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7787337160 [0,1,0,0,1,0|1,0,1]=4 2695 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-9352998200 [0,1,0,0,1,0|1,0,1]=4 2696 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-5985438267 [0,1,0,0,1,0|1,0,1]=4 2697 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-6739441737 [0,1,0,0,1,0|1,0,1]=4 2698 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8406342632 [0,1,0,0,1,0|1,0,1]=4 2699 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8945046053 [0,1,0,0,1,0|1,0,1]=4 2700 B9R1.81 COC(=O)[C@H]1CC[C@H]1N MCULE-7383295864 [0,1,0,0,1,0|1,0,1]=4 2701 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [0,1,0,0,1,0|2,0,0]=4 2702 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [0,1,0,0,1,0|2,0,0]=4 2703 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [0,1,0,0,1,0|2,0,0]=4 2704 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [0,1,0,0,1,0|1,0,1]=4 2705 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,0,1,0|0,0,2]=4 2706 B9R1.96 O=NN1CCC1C(=O)O MCULE-4855920103 [0,1,0,0,1,0|1,0,0]=3 2707 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,1,0,0,1,0|1,0,1]=4 2708 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [0,1,0,0,1,0|1,0,1]=4 2709 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,1,0,0,1,0|1,0,0]=3 2710 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [0,1,0,0,1,0|1,0,1]=4 2711 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [0,1,0,0,1,0|1,0,1]=4 2712 B11R1.3 O=CN1CCC(CC1)C(=O)O MCULE-3355259649 [0,1,0,0,0,1|2,0,0]=4 2713 B11R1.21 CC1=C(CC(CC1)C(=O)O)C MCULE-6601751883 [0,1,0,0,0,1|2,0,0]=4 2714 B11R1.21 CC1CC(CCC1=O)C(=O)O MCULE-1918471657 [0,1,0,0,0,1|1,0,0]=3 2715 B11R1.21 CN1CC(CCC1=O)C(=O)O MCULE-4009790849 [0,1,0,0,0,1|0,0,0]=2 2716 B11R1.21 CN1CC(NCC1=O)C(=O)O MCULE-1476207345 [0,1,0,0,0,1|1,0,0]=3 2717 B11R1.21 CN1CC(NCC1=O)C(=O)O MCULE-7602151554 [0,1,0,0,0,1|1,0,0]=3 2718 B11R1.21 CN1C[C@@H](CCC1=O)C(=O)O MCULE-4384135288 [0,1,0,0,0,1|0,0,0]=2 2719 B11R1.21 CN1C[C@H](CCC1=O)C(=O)O MCULE-3136924816 [0,1,0,0,0,1|0,0,0]=2 2720 B11R1.21 CN1C[C@H](CCC1=O)C(=O)O MCULE-6449446697 [0,1,0,0,0,1|0,0,0]=2 2721 B11R1.21 CN1N=C(CCC1=O)C(=O)N MCULE-4986678253 [0,1,0,0,0,1|1,0,1]=4 2722 B11R1.21 CN1N=C(CCC1=O)C(=O)O MCULE-7687289466 [0,1,0,0,0,1|0,0,1]=3 2723 B11R1.22 COC(=O)C1=NNC(=O)CC1 MCULE-6880633256 [0,1,0,0,0,1|0,0,1]=3 2724 B11R1.22 COC(=O)C1C=CC(=O)NN1 MCULE-9143671490 [0,1,0,0,0,1|0,0,2]=4 2725 B11R1.22 COC(=O)C1C=NC(=O)NC1 MCULE-2370649722 [0,1,0,0,0,1|1,0,1]=4 2726 B11R1.22 COC(=O)C1CC=C(CC1)Br MCULE-7489389627 [0,1,0,0,0,1|2,0,0]=4 2727 B11R1.22 COC(=O)C1CC=C(CC1)C MCULE-7832981899 [0,1,0,0,0,1|2,0,0]=4 2728 B11R1.22 COC(=O)C1CCC(=NC1)N MCULE-7341627746 [0,1,0,0,0,1|1,0,1]=4 2729 B11R1.22 COC(=O)C1CCC(=NC1)N MCULE-7743330305 [0,1,0,0,0,1|1,0,1]=4 2730 B11R1.22 COC(=O)C1CCC(=O)CC1 MCULE-9783233720 [0,1,0,0,0,1|1,0,0]=3 2731 B11R1.22 COC(=O)C1CCC(=O)NC1 MCULE-4891190480 [0,1,0,0,0,1|0,0,0]=2 2732 B11R1.22 COC(=O)C1CCC(CN1)O MCULE-9174504804 [0,1,0,0,0,1|0,0,2]=4 2733 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-1103691698 [0,1,0,0,0,1|1,0,1]=4 2734 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-4066328394 [0,1,0,0,0,1|1,0,1]=4 2735 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-7905998970 [0,1,0,0,0,1|1,0,1]=4 2736 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-1207411341 [0,1,0,0,0,1|1,0,0]=3 2737 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-3150881124 [0,1,0,0,0,1|1,0,0]=3 2738 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-9361727201 [0,1,0,0,0,1|1,0,0]=3 2739 B11R1.22 COC(=O)N1CCC(=O)CC1 MCULE-5749716243 [0,1,0,0,0,1|2,0,0]=4 2740 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 MCULE-3019174474 [0,1,0,0,0,1|0,0,0]=2 2741 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O MCULE-1608906161 [0,1,0,0,0,1|0,0,2]=4 2742 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O MCULE-7535687002 [0,1,0,0,0,1|0,0,2]=4 2743 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O MCULE-7886608473 [0,1,0,0,0,1|0,0,2]=4 2744 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-1999660404 [0,1,0,0,0,1|1,0,1]=4 2745 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-2455994251 [0,1,0,0,0,1|1,0,1]=4 2746 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-2976201730 [0,1,0,0,0,1|1,0,1]=4 2747 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-3782740676 [0,1,0,0,0,1|1,0,1]=4 2748 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-6464990394 [0,1,0,0,0,1|1,0,1]=4 2749 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)O MCULE-1537696189 [0,1,0,0,0,1|0,0,2]=4 2750 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)O MCULE-3334344307 [0,1,0,0,0,1|0,0,2]=4 2751 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-1654286744 [0,1,0,0,0,1|1,0,1]=4 2752 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-2389055337 [0,1,0,0,0,1|1,0,1]=4 2753 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-3268300078 [0,1,0,0,0,1|1,0,1]=4 2754 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-5032774144 [0,1,0,0,0,1|1,0,1]=4 2755 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 MCULE-1663377634 [0,1,0,0,0,1|1,0,0]=3 2756 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 MCULE-5733180811 [0,1,0,0,0,1|1,0,0]=3 2757 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-7846998050 [0,1,0,0,0,1|0,0,0]=2 2758 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-8720511544 [0,1,0,0,0,1|0,0,0]=2 2759 B11R1.22 COC(=O)[C@H]1CC[C@@H](CN1)O MCULE-2977287737 [0,1,0,0,0,1|0,0,2]=4 2760 B11R1.22 COC(=O)[C@H]1CC[C@@H](CN1)O MCULE-3433906854 [0,1,0,0,0,1|0,0,2]=4 2761 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-4324818722 [0,1,0,0,0,1|1,0,1]=4 2762 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-5137006001 [0,1,0,0,0,1|1,0,1]=4 2763 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-9584865102 [0,1,0,0,0,1|1,0,1]=4 2764 B11R1.22 COC(=O)[C@H]1CC[C@H](CN1)O MCULE-4862825259 [0,1,0,0,0,1|0,0,2]=4 2765 B11R1.22 COC(=O)[C@H]1CC[C@H](CN1)O MCULE-8270495818 [0,1,0,0,0,1|0,0,2]=4 2766 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-1064182684 [0,1,0,0,0,1|1,0,1]=4 2767 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-5686053466 [0,1,0,0,0,1|1,0,1]=4 2768 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-7329517559 [0,1,0,0,0,1|1,0,1]=4 2769 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-7669213048 [0,1,0,0,0,1|1,0,1]=4 2770 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-8006054967 [0,1,0,0,0,1|1,0,1]=4 2771 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 MCULE-1475020895 [0,1,0,0,0,1|1,0,0]=3 2772 B11R1.22 NNC(=O)C1=NNC(=O)CC1 MCULE-7705328366 [0,1,0,0,0,1|1,0,1]=4 2773 B11R1.22 [C@H]1(CC[C@H](CN1)C(=O)OC)C MCULE-3786752577 [0,1,0,0,0,1|1,0,1]=4 2774 B11R1.166 CC1=C(CCC(=O)N1)C(=O)O MCULE-5062338511 [0,1,0,0,0,1|0,0,1]=3 2775 B11R1.166 CC1CC(=O)CCC1C(=O)O MCULE-7852085763 [0,1,0,0,0,1|1,0,0]=3 2776 B11R1.166 CC1NC(=O)CCC1N(=O)=O MCULE-6943388739 [0,1,0,0,0,1|1,0,1]=4 2777 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-2460783843 [0,1,0,0,0,1|1,0,0]=3 2778 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-7956491903 [0,1,0,0,0,1|1,0,0]=3 2779 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-3967440664 [0,1,0,0,0,1|1,0,0]=3 2780 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-5142454558 [0,1,0,0,0,1|1,0,0]=3 2781 B11R1.220 CC1(CCC(=O)CC1)C(=O)O MCULE-1572569153 [0,1,0,0,0,1|1,0,0]=3 2782 B11R1.220 CC1(CCC(=O)NC1)C(=O)O MCULE-2805915574 [0,1,0,0,0,1|0,0,0]=2 2783 B11R1.220 CC1(COC(=O)OC1)C(=O)O MCULE-9190689926 [0,1,0,0,0,1|2,0,0]=4 2784 B11R1.220 CC1=CCC(CC1)(C)C(=O)O MCULE-9625022025 [0,1,0,0,0,1|2,0,0]=4 2785 B11R1.220 NC1(CCC(=O)CC1)C(=O)O MCULE-6857901798 [0,1,0,0,0,1|1,0,0]=3 2786 B11R1.727 O=C(O)C1CCC(CN1)(F)F MCULE-5193548537 [0,1,0,0,0,1|1,0,1]=4 2787 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 MCULE-1947181749 [0,1,0,0,0,1|2,0,0]=4 2788 B11R1.727 O=C(O)[C@@H]1CCC(CN1)(F)F MCULE-7313789029 [0,1,0,0,0,1|1,0,1]=4 2789 B11R1.39 COC(=O)CC1CCC(=O)C1 MCULE-1837052174 [0,1,0,0,0,1|1,0,0]=3 2790 B11R1.39 COC(=O)CC1CCC(=O)N1 MCULE-6926927013 [0,1,0,0,0,1|0,0,0]=2 2791 B11R1.39 COC(=O)CC1CNC(=O)C1 MCULE-3287539263 [0,1,0,0,0,1|2,0,0]=4 2792 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 MCULE-7623889754 [0,1,0,0,0,1|1,0,0]=3 2793 B11R1.39 COC(=O)C[C@@H]1CCC(=O)N1 MCULE-5307570980 [0,1,0,0,0,1|0,0,0]=2 2794 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 MCULE-2951837540 [0,1,0,0,0,1|1,0,0]=3 2795 B11R1.43 O=C(O)CC1CCC(=NO)C1 MCULE-9991838441 [0,1,0,0,0,1|1,0,1]=4 2796 B11R1.80 CC(=O)CC1CC(C(=O)O1)C MCULE-9835948088 [0,1,0,0,0,1|2,0,0]=4 2797 B11R1.80 CN1CC(CC1=O)CC(=O)O MCULE-3885249901 [0,1,0,0,0,1|2,0,0]=4 2798 B11R1.313 CN1C(=O)CCC1CC(=O)O MCULE-1301520944 [0,1,0,0,0,1|0,0,0]=2 2799 B11R1.313 CN1C(=O)CSC1=CC(=O)O MCULE-5442168546 [0,1,0,0,0,1|1,0,1]=4 2800 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 MCULE-4842292622 [0,1,0,0,0,1|0,0,0]=2 2801 B11R1.645 O=C(O)CC1NC(=O)NC1=O MCULE-4472768936 [0,1,0,0,0,1|1,0,1]=4 2802 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-3659340200 [0,1,0,0,0,1|1,0,1]=4 2803 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-7657913540 [0,1,0,0,0,1|1,0,1]=4 2804 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 MCULE-3738522082 [0,1,0,0,0,1|2,0,0]=4 2805 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 MCULE-2810155432 [0,1,0,0,0,1|1,0,0]=3 2806 B11R1.23 COC(=O)C1=CC(=O)CCC1 MCULE-9379833788 [0,1,0,0,0,1|1,0,1]=4 2807 B11R1.23 COC(=O)C1CC(=O)CCN1 MCULE-2957789839 [0,1,0,0,0,1|1,0,0]=3 2808 B11R1.23 COC(=O)C1CC(=O)CCN1 MCULE-7628754673 [0,1,0,0,0,1|1,0,0]=3 2809 B11R1.23 COC(=O)C1CC=CC(=O)C1 MCULE-9419627516 [0,1,0,0,0,1|1,0,1]=4 2810 B11R1.23 COC(=O)C1CCCC(=O)C1 MCULE-4326233018 [0,1,0,0,0,1|1,0,0]=3 2811 B11R1.23 COC(=O)C1CCCC(=O)N1 MCULE-8690572370 [0,1,0,0,0,1|0,0,0]=2 2812 B11R1.23 COC(=O)C1CCCC(N1)C MCULE-7945233826 [0,1,0,0,0,1|1,0,1]=4 2813 B11R1.23 COC(=O)C1CCNC(=O)C1 MCULE-4250140902 [0,1,0,0,0,1|1,0,0]=3 2814 B11R1.23 COC(=O)C1CNCC(=O)N1 MCULE-4044240233 [0,1,0,0,0,1|0,0,0]=2 2815 B11R1.23 COC(=O)C1CNNC(=O)C1 MCULE-8947267618 [0,1,0,0,0,1|2,0,0]=4 2816 B11R1.23 COC(=O)C1COCC(=O)C1 MCULE-9367979634 [0,1,0,0,0,1|1,0,0]=3 2817 B11R1.23 COC(=O)C1COCC(N1)C MCULE-5531646699 [0,1,0,0,0,1|1,0,1]=4 2818 B11R1.23 COC(=O)N1CCCC(=O)C1 MCULE-1429565297 [0,1,0,0,0,1|2,0,0]=4 2819 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 MCULE-2526553506 [0,1,0,0,0,1|1,0,0]=3 2820 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 MCULE-6095368090 [0,1,0,0,0,1|1,0,0]=3 2821 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 MCULE-6640888029 [0,1,0,0,0,1|1,0,0]=3 2822 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-2739256690 [0,1,0,0,0,1|0,0,0]=2 2823 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-5386964384 [0,1,0,0,0,1|0,0,0]=2 2824 B11R1.23 COC(=O)[C@@H]1COCC(=O)C1 MCULE-3601624499 [0,1,0,0,0,1|1,0,0]=3 2825 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 MCULE-1252511775 [0,1,0,0,0,1|1,0,0]=3 2826 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 MCULE-8974857056 [0,1,0,0,0,1|0,0,0]=2 2827 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 MCULE-9706628315 [0,1,0,0,0,1|1,0,0]=3 2828 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-7434283814 [0,1,0,0,0,1|0,0,0]=2 2829 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-9904980974 [0,1,0,0,0,1|0,0,0]=2 2830 B11R1.74 CC1CC(NC(=S)N1)C(=O)O MCULE-6244565305 [0,1,0,0,0,1|0,1,0]=3 2831 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-3527131237 [0,1,0,0,0,1|0,1,0]=3 2832 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-5042056278 [0,1,0,0,0,1|0,1,0]=3 2833 B11R1.74 O=C1CC(=O)CC(C1)C(=O)Cl MCULE-5961631621 [0,1,0,0,0,1|2,0,0]=4 2834 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O MCULE-2619134082 [0,1,0,0,0,1|1,0,0]=3 2835 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O MCULE-5623787674 [0,1,0,0,0,1|1,0,1]=4 2836 B11R1.74 O=C1CC(NC(=O)N1)C(=O)O MCULE-8091289320 [0,1,0,0,0,1|0,0,1]=3 2837 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-4074220021 [0,1,0,0,0,1|0,0,1]=3 2838 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-7764195040 [0,1,0,0,0,1|0,0,1]=3 2839 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-6513392402 [0,1,0,0,0,1|0,0,1]=3 2840 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-7404763627 [0,1,0,0,0,1|0,0,1]=3 2841 B11R1.159 CN1C(=O)CCCC1C(=O)O MCULE-2434427513 [0,1,0,0,0,1|0,0,0]=2 2842 B11R1.159 CN1C(=O)NCCC1C(=O)O MCULE-7085809876 [0,1,0,0,0,1|0,0,0]=2 2843 B11R1.167 CC1=NC(C(CN1)O)C(=O)O MCULE-2175075890 [0,1,0,0,0,1|1,0,1]=4 2844 B11R1.167 CC1=N[C@@H]([C@H](CN1)O)C(=O)O MCULE-6274285156 [0,1,0,0,0,1|1,0,1]=4 2845 B11R1.167 NC(=O)C1NC(=O)CNC1=O MCULE-7063454840 [0,1,0,0,0,1|1,0,1]=4 2846 B11R1.167 O=C1CCC(=O)[C@H](N1)C(=O)O MCULE-5858965627 [0,1,0,0,0,1|0,0,0]=2 2847 B11R1.167 O=C1CNC(=O)C(N1)C(=O)O MCULE-9729486152 [0,1,0,0,0,1|0,0,1]=3 2848 B11R1.266 CCC1CCCC(N1)C(=O)O MCULE-7713794654 [0,1,0,0,0,1|1,0,1]=4 2849 B11R1.266 O=C(O)C1CCCC(=NO)C1 MCULE-8609222770 [0,1,0,0,0,1|1,0,1]=4 2850 B11R1.266 O=CN1CCCC(C1)C(=O)O MCULE-9603483269 [0,1,0,0,0,1|2,0,0]=4 2851 B11R1.667 CC1(CCNC(=O)C1)C(=O)O MCULE-9095450827 [0,1,0,0,0,1|1,0,0]=3 2852 B11R1.730 CC1(COCC(N1)C(=O)O)C MCULE-9878578908 [0,1,0,0,0,1|1,0,1]=4 2853 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 MCULE-2941931058 [0,1,0,0,0,1|2,0,0]=4 2854 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 MCULE-5588278992 [0,1,0,0,0,1|2,0,0]=4 2855 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 MCULE-6421455090 [0,1,0,0,0,1|2,0,0]=4 2856 B11R1.15 CCOC(=O)C1=CC(=O)CC1 MCULE-5046245234 [0,2,0,0,0,0|1,0,1]=4 2857 B11R1.15 CCOC(=O)C1CC(=O)CO1 MCULE-4408737716 [0,2,0,0,0,0|2,0,0]=4 2858 B11R1.15 CCOC(=O)C1CCC(=O)C1 MCULE-8247112057 [0,2,0,0,0,0|1,0,0]=3 2859 B11R1.15 CCOC(=O)C1CCC(=O)N1 MCULE-8864284770 [0,2,0,0,0,0|0,0,0]=2 2860 B11R1.15 CCOC(=O)C1CCC(=O)N1 MCULE-9048978213 [0,2,0,0,0,0|0,0,0]=2 2861 B11R1.15 CCOC(=O)C1CCC(=O)O1 MCULE-3819508698 [0,2,0,0,0,0|1,0,0]=3 2862 B11R1.15 CCOC(=O)C1CCC(=S)N1 MCULE-6542857057 [0,2,0,0,0,0|0,1,0]=3 2863 B11R1.15 CCOC(=O)C1CNC(=O)C1 MCULE-7318541781 [0,2,0,0,0,0|2,0,0]=4 2864 B11R1.15 CCOC(=O)N1CCC(=O)C1 MCULE-6432262906 [0,2,0,0,0,0|2,0,0]=4 2865 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 MCULE-7590206628 [0,2,0,0,0,0|0,0,0]=2 2866 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](N1)C MCULE-2046219360 [0,2,0,0,0,0|1,0,1]=4 2867 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](N1)C MCULE-5191078810 [0,2,0,0,0,0|1,0,1]=4 2868 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](N1)C MCULE-8247267024 [0,2,0,0,0,0|1,0,1]=4 2869 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 MCULE-1918312467 [0,2,0,0,0,0|1,0,0]=3 2870 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 MCULE-1263708572 [0,2,0,0,0,0|0,0,0]=2 2871 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 MCULE-6175997410 [0,2,0,0,0,0|0,0,0]=2 2872 B11R1.15 O=C1CCC(N1)C(=O)NCO MCULE-9565549852 [0,2,0,0,0,0|0,0,0]=2 2873 B11R1.15 [C@@H]1(CCC(=O)O1)C(=O)OCC MCULE-8660927470 [0,2,0,0,0,0|1,0,0]=3 2874 B11R1.15 [C@H]1(CCC(=O)N1)C(=O)OCC MCULE-7477770954 [0,2,0,0,0,0|0,0,0]=2 2875 B11R1.44 C=C[C@@H]1CC[C@H](N1)C(=O)OC MCULE-2836646200 [0,2,0,0,0,0|1,0,1]=4 2876 B11R1.44 C=C[C@@H]1CC[C@H](N1)C(=O)OC MCULE-7974121882 [0,2,0,0,0,0|1,0,1]=4 2877 B11R1.44 C=C[C@@H]1CC[C@H](N1)C(=O)OC MCULE-8123742816 [0,2,0,0,0,0|1,0,1]=4 2878 B11R1.44 C=C[C@H]1CC[C@H](N1)C(=O)OC MCULE-6756537247 [0,2,0,0,0,0|1,0,1]=4 2879 B11R1.44 C=C[C@H]1CC[C@H](N1)C(=O)OC MCULE-9486071582 [0,2,0,0,0,0|1,0,1]=4 2880 B11R1.44 COC(=O)C1CCC(=N1)SC MCULE-4359957532 [0,2,0,0,0,0|0,1,1]=4 2881 B11R1.44 COC(=O)C1CCC(C1)C=O MCULE-4933566077 [0,2,0,0,0,0|1,0,1]=4 2882 B11R1.44 COC(=O)C1CCC(N1)CO MCULE-1203357587 [0,2,0,0,0,0|0,0,2]=4 2883 B11R1.44 COC(=O)C1CCC(N1)CO MCULE-1340753915 [0,2,0,0,0,0|0,0,2]=4 2884 B11R1.44 COC(=O)[C@@H]1CCC(=N1)OC MCULE-7640000853 [0,2,0,0,0,0|0,0,2]=4 2885 B11R1.44 COC(=O)[C@@H]1CCC(=N1)SC MCULE-1188331274 [0,2,0,0,0,0|0,1,1]=4 2886 B11R1.44 COC(=O)[C@H]1CCC(=N1)SC MCULE-5637440852 [0,2,0,0,0,0|0,1,1]=4 2887 B11R1.44 COC(=O)[C@H]1CC[C@H](C1)C=O MCULE-2955473183 [0,2,0,0,0,0|1,0,1]=4 2888 B11R1.44 [C@H]1(CCC(=N1)SC)C(=O)OC MCULE-8578753187 [0,2,0,0,0,0|0,1,1]=4 2889 B11R1.226 COC(=O)C1CC(=O)N(C1)C MCULE-2051541150 [0,2,0,0,0,0|2,0,0]=4 2890 B11R1.226 COC(=O)[C@@H]1C[C@@H](C(=O)N1)O MCULE-1924620912 [0,2,0,0,0,0|0,0,0]=2 2891 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O MCULE-6174114389 [0,2,0,0,0,0|0,0,0]=2 2892 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O MCULE-7981334019 [0,2,0,0,0,0|0,0,0]=2 2893 B11R1.865 COC(=O)C1CCC(=O)N1C MCULE-8209745376 [0,2,0,0,0,0|0,0,0]=2 2894 B11R1.865 COC(=O)C1CNC(=O)C1=O MCULE-5039252661 [0,2,0,0,0,0|2,0,0]=4 2895 B11R1.865 COC(=O)C1COC(=O)N1C MCULE-6376974834 [0,2,0,0,0,0|1,0,0]=3 2896 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C MCULE-4433892704 [0,2,0,0,0,0|0,0,0]=2 2897 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C MCULE-5836310833 [0,2,0,0,0,0|0,0,0]=2 2898 B11R1.865 COC(=O)[C@H]1CCC(=O)N1C MCULE-3637701411 [0,2,0,0,0,0|0,0,0]=2 2899 B11R1.865 COC(=O)[C@H]1CCC(=O)N1C MCULE-9201122569 [0,2,0,0,0,0|0,0,0]=2 2900 B11R1.866 COC(=O)C1CCS(=O)(=O)N1 MCULE-3078565580 [0,2,0,0,0,0|1,0,0]=3 2901 B11R1.885 COC(=O)C1(CCC(=O)C1)C MCULE-9354640301 [0,2,0,0,0,0|1,0,0]=3 2902 B11R1.885 COC(=O)C1(CCC(=O)N1)C MCULE-7284705870 [0,2,0,0,0,0|0,0,0]=2 2903 B11R1.48 CCN1CC(CC1=O)C(=O)O MCULE-2980395713 [0,2,0,0,0,0|2,0,0]=4 2904 B11R1.48 CCN1CC(OC1=O)C(=O)O MCULE-4298274874 [0,2,0,0,0,0|2,0,0]=4 2905 B11R1.175 CC(=O)N1CCC(C1)C(=O)O MCULE-5992331860 [0,2,0,0,0,0|2,0,0]=4 2906 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,2,0,0,0,0|1,0,1]=4 2907 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,2,0,0,0,0|1,0,1]=4 2908 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,2,0,0,0,0|1,0,1]=4 2909 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,2,0,0,0,0|1,0,1]=4 2910 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,2,0,0,0,0|1,0,1]=4 2911 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,2,0,0,0,0|0,0,1]=3 2912 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,2,0,0,0,0|1,0,1]=4 2913 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,2,0,0,0,0|1,0,1]=4 2914 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,2,0,0,0,0|1,0,1]=4 2915 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,2,0,0,0,0|1,0,1]=4 2916 B11R1.644 CC1(C[C@H](NC1=O)C(=O)O)C MCULE-2222423646 [0,2,0,0,0,0|0,0,0]=2 2917 B11R1.672 CC1C(CC(=O)N1C)C(=O)O MCULE-2973465498 [0,2,0,0,0,0|2,0,0]=4 2918 B11R1.672 CN1CC(N(C1=O)C)C(=O)O MCULE-3409101701 [0,2,0,0,0,0|1,0,0]=3 2919 B11R1.672 CN1C[C@H](N(C1=O)C)C(=O)O MCULE-6289054025 [0,2,0,0,0,0|1,0,0]=3 2920 B11R1.672 CN1C[C@H](N(C1=O)C)C(=O)O MCULE-8053584866 [0,2,0,0,0,0|1,0,0]=3 2921 B11R1.488 NC1CS(=O)(=O)CC1C(=O)O MCULE-3890522043 [0,2,0,0,0,0|2,0,0]=4 2922 B11R1.489 CC1(CC(=O)NC1C(=O)O)C MCULE-5250835582 [0,2,0,0,0,0|0,0,0]=2 2923 B11R1.489 CC1(NC(=O)CC1C(=O)O)C MCULE-1222232931 [0,2,0,0,0,0|2,0,0]=4 2924 B11R1.489 CC1(OC(=O)CC1C(=O)O)C MCULE-8227422771 [0,2,0,0,0,0|2,0,0]=4 2925 B11R1.64 CCN1C(=O)CCC1C(=O)O MCULE-7704385738 [0,2,0,0,0,0|0,0,0]=2 2926 B11R1.1270 CN1C(=O)CCC1(C)C(=O)N MCULE-7570051566 [0,2,0,0,0,0|1,0,0]=3 2927 B11R1.1270 CN1C(=O)CCC1(C)C(=O)O MCULE-6058699096 [0,2,0,0,0,0|0,0,0]=2 2928 B11R1.738 NC1(CCS(=O)(=O)C1)C(=O)O MCULE-4599248499 [0,2,0,0,0,0|2,0,0]=4 2929 B11R1.738 O=C(O)C1(CCS(=O)(=O)C1)F MCULE-1313519489 [0,2,0,0,0,0|2,0,0]=4 2930 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,0,1,1,0,0|2,0,0]=4 2931 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,0,1,1,0,0|2,0,0]=4 2932 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [0,0,1,1,0,0|2,0,0]=4 2933 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,1,1,0,0|1,0,1]=4 2934 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,1,1,0,0|1,0,1]=4 2935 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,1,1,0,0|1,0,1]=4 2936 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,1,1,0,0|1,0,1]=4 2937 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,0,1,1,0,0|1,0,1]=4 2938 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,0,1,1,0,0|1,0,1]=4 2939 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,1,1,0,0|2,0,0]=4 2940 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,1,1,0,0|2,0,0]=4 2941 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,1,1,0,0|2,0,0]=4 2942 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,1,1,0,0|2,0,0]=4 2943 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,0,1,1,0,0|2,0,0]=4 2944 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,0,1,1,0,0|2,0,0]=4 2945 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,1,1,0,0|1,0,1]=4 2946 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,1,1,0,0|1,0,1]=4 2947 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,1,1,0,0|1,0,1]=4 2948 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,1,1,0,0|1,0,1]=4 2949 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,0,1,1,0,0|1,0,1]=4 2950 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,0,1,1,0,0|1,0,1]=4 2951 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,0,1,1,0,0|1,0,1]=4 2952 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,0,1,1,0,0|2,0,0]=4 2953 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,0,1,1,0,0|2,0,0]=4 2954 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,1,1,0,0|1,0,1]=4 2955 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,1,1,0,0|1,0,1]=4 2956 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,1,1,0,0|1,0,1]=4 2957 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,1,1,0,0|1,0,1]=4 2958 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,0,1,1,0,0|1,0,1]=4 2959 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,0,1,1,0,0|1,0,1]=4 2960 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,0,1,1,0,0|1,0,0]=3 2961 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,0,1,1,0,0|2,0,0]=4 2962 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,0,1,1,0,0|2,0,0]=4 2963 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,0,1,1,0,0|2,0,0]=4 2964 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,0,1,1,0,0|2,0,0]=4 2965 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,0,1,1,0,0|1,0,0]=3 2966 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,0,1,1,0,0|1,0,0]=3 2967 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,0,1,1,0,0|1,0,0]=3 2968 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,0,1,1,0,0|1,0,0]=3 2969 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,0,1,1,0,0|1,0,0]=3 2970 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,0,1,1,0,0|1,0,0]=3 2971 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,0,1,1,0,0|1,0,0]=3 2972 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,0,1,1,0,0|1,0,0]=3 2973 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,0,1,1,0,0|1,0,0]=3 2974 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,0,1,1,0,0|1,0,0]=3 2975 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,0,1,1,0,0|1,0,0]=3 2976 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,0,1,1,0,0|2,0,0]=4 2977 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,0,1,1,0,0|1,0,0]=3 2978 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,0,1,1,0,0|1,0,1]=4 2979 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,0,1,1,0,0|1,0,0]=3 2980 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,0,1,1,0,0|1,0,1]=4 2981 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,0,1,1,0,0|1,0,1]=4 2982 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,0,1,1,0,0|2,0,0]=4 2983 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,0,1,1,0,0|1,0,1]=4 2984 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,0,1,1,0,0|1,0,1]=4 2985 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,0,1,1,0,0|2,0,0]=4 2986 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,0,1,1,0,0|1,0,1]=4 2987 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,0,1,1,0,0|1,0,1]=4 2988 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,0,1,1,0,0|1,0,1]=4 2989 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,0,1,1,0,0|1,0,1]=4 2990 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,0,1,1,0,0|2,0,0]=4 2991 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,0,1,1,0,0|2,0,0]=4 2992 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,0,1,1,0,0|1,0,1]=4 2993 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,0,1,1,0,0|1,0,1]=4 2994 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,0,1,1,0,0|1,0,1]=4 2995 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,0,1,1,0,0|2,0,0]=4 2996 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,0,1,1,0,0|2,0,0]=4 2997 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,0,1,1,0,0|1,0,1]=4 2998 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,0,1,1,0,0|1,0,1]=4 2999 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,0,1,1,0,0|1,0,1]=4 3000 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,0,1,1,0,0|1,0,1]=4 3001 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,0,1,1,0,0|1,0,1]=4 3002 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,0,1,1,0,0|1,0,1]=4 3003 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,0,1,1,0,0|1,0,1]=4 3004 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,0,1,1,0,0|1,0,1]=4 3005 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,1,1,0,0|1,0,0]=3 3006 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,1,1,0,0|1,0,1]=4 3007 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,1,1,0,0|2,0,0]=4 3008 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,0,1,1,0,0|1,0,1]=4 3009 B9R1.179 C=CCC1(CC1)C(=O)O MCULE-9984484632 [0,0,1,1,0,0|2,0,0]=4 3010 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,1,1,0,0|2,0,0]=4 3011 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,1,1,0,0|2,0,0]=4 3012 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,1,1,0,0|2,0,0]=4 3013 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,1,1,0,0|2,0,0]=4 3014 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,1,1,0,0|2,0,0]=4 3015 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,1,1,0,0|2,0,0]=4 3016 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,1,1,0,0|2,0,0]=4 3017 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,1,1,0,0|2,0,0]=4 3018 B9R1.53 CC(=O)OC1CC(=O)N1 MCULE-7042794483 [0,0,1,1,0,0|2,0,0]=4 3019 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,0,1,1,0,0|1,0,1]=4 3020 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,0,1,1,0,0|1,0,1]=4 3021 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,0,1,1,0,0|1,0,1]=4 3022 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,0,1,1,0,0|1,0,1]=4 3023 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,0,1,1,0,0|1,0,1]=4 3024 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,0,1,1,0,0|1,0,1]=4 3025 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,1,1,0,0|1,0,0]=3 3026 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,1,1,0,0|0,0,0]=2 3027 B9R1.66 O=C1CCCS(=O)(=O)N1 MCULE-4670322076 [0,0,1,1,0,0|1,0,1]=4 3028 B9R2.20 O=C1CCC2C1C=C2 MCULE-8039343866 [1,0,0,1,0,0|2,0,0]=4 3029 B9R2.39 O=C1CC2C=CC1C2 MCULE-9956317855 [1,0,0,1,0,0|2,0,0]=4 3030 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [1,0,0,1,0,0|1,0,1]=4 3031 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [1,0,0,1,0,0|1,0,1]=4 3032 B9R2.39 O=C1NC2C=CC1C2 MCULE-6558104055 [1,0,0,1,0,0|1,0,0]=3 3033 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [1,0,0,1,0,0|1,0,1]=4 3034 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 MCULE-9490915904 [1,0,0,1,0,0|1,0,0]=3 3035 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [1,0,0,1,0,0|1,0,1]=4 3036 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [1,0,0,1,0,0|1,0,1]=4 3037 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [1,0,0,1,0,0|1,0,1]=4 3038 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [1,0,0,1,0,0|1,0,1]=4 3039 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 MCULE-7927184168 [1,0,0,1,0,0|1,0,0]=3 3040 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 MCULE-9869305172 [1,0,0,1,0,0|1,0,0]=3 3041 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O MCULE-3299747937 [1,0,0,1,0,0|1,0,0]=3 3042 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O MCULE-6202052539 [1,0,0,1,0,0|1,0,0]=3 3043 B9R2.39 [C@H]12C=CC(C1)C(=O)N2 MCULE-5474445534 [1,0,0,1,0,0|1,0,0]=3 3044 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [1,0,0,1,0,0|1,0,1]=4 3045 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [1,0,0,1,0,0|1,0,1]=4 3046 B9R2.7 O=C1CC2C1C=CC2 MCULE-3852880142 [1,0,0,1,0,0|2,0,0]=4 3047 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [1,0,0,1,0,0|1,0,1]=4 3048 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [1,0,0,1,0,0|1,0,1]=4 3049 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [1,0,0,1,0,0|1,0,1]=4 3050 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [1,0,0,1,0,0|2,0,0]=4 3051 B11R2.821 [C@@H]12CC[C@@H]([C@@H](C1)N2)C(=O)O MCULE-4969323707 [0,0,0,1,0,1|1,0,1]=4 3052 B11R2.1839 O=C(O)C12CCC(C1)CN2 MCULE-5678506531 [0,0,0,1,0,1|1,0,1]=4 3053 B11R2.1839 O=C(O)C12CCC(C1)CN2 MCULE-7284735604 [0,0,0,1,0,1|1,0,1]=4 3054 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-4354063940 [0,0,0,1,0,1|1,0,1]=4 3055 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-8094375931 [0,0,0,1,0,1|1,0,1]=4 3056 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-1269384340 [0,0,0,1,0,1|1,0,1]=4 3057 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-9709707983 [0,0,0,1,0,1|1,0,1]=4 3058 B11R2.66 O=C1C=C2CCC(=O)N2C1 MCULE-4036320294 [0,0,0,1,0,1|1,0,1]=4 3059 B11R2.66 O=C1CN2C(=O)CCC2N1 MCULE-3303489727 [0,0,0,1,0,1|1,0,0]=3 3060 B11R2.66 [C@H]12COC(=O)N1CC(=O)C2 MCULE-1346578976 [0,0,0,1,0,1|2,0,0]=4 3061 B11R2.66 [C@H]12COC(=O)N1CC(=O)C2 MCULE-7242576330 [0,0,0,1,0,1|2,0,0]=4 3062 B11R2.139 O=C1CC2CC(=O)CC2C1 MCULE-8927465013 [0,0,0,1,0,1|2,0,0]=4 3063 B11R2.530 O=C(O)C1C2C1C(=O)CC2 MCULE-6727222040 [0,0,0,1,0,1|1,0,0]=3 3064 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-3189710002 [0,0,0,1,0,1|1,0,1]=4 3065 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8256813957 [0,0,0,1,0,1|1,0,1]=4 3066 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8443317854 [0,0,0,1,0,1|1,0,1]=4 3067 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-6144728165 [0,0,0,1,0,1|1,0,1]=4 3068 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-7927159067 [0,0,0,1,0,1|1,0,1]=4 3069 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-1580122090 [0,0,0,1,0,1|1,0,1]=4 3070 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-2737672800 [0,0,0,1,0,1|1,0,1]=4 3071 B11R2.47 O=C1CC2CCC1CC2=O MCULE-3954884710 [0,0,0,1,0,1|2,0,0]=4 3072 B11R2.47 O=C1NC2CCC1NC2=O MCULE-2265765938 [0,0,0,1,0,1|1,0,0]=3 3073 B11R2.60 O=C1COC2C1OCC2=O MCULE-8388437896 [0,1,0,1,0,0|2,0,0]=4 3074 B11R2.60 O=C1OCC2C1COC2=O MCULE-6930842195 [0,1,0,1,0,0|2,0,0]=4 3075 B11R2.60 [C@H]12OCC(=O)[C@H]1OCC2=O MCULE-9283765891 [0,1,0,1,0,0|2,0,0]=4 3076 B11R2.738 O=C1NC2CC1C(C2O)O MCULE-9230685797 [0,1,0,1,0,0|0,0,2]=4 3077 B11R2.738 O=C1N[C@@H]2C[C@H]1[C@H]([C@H]2O)O MCULE-7928317676 [0,1,0,1,0,0|0,0,2]=4 3078 B11R2.201 O=C1OC(=O)C2CCC1C2 MCULE-3134850414 [0,1,0,1,0,0|1,0,1]=4 3079 B11R2.201 O=C1OC(=O)C2CCC1N2 MCULE-1779580563 [0,1,0,1,0,0|0,0,1]=3 3080 B11R2.201 O=C1OC(=O)C2CCC1O2 MCULE-3276087307 [0,1,0,1,0,0|1,0,1]=4 3081 B11R2.201 O=C1OC(=O)C2CCC1S2 MCULE-9966774535 [0,1,0,1,0,0|1,0,1]=4 3082 B11R2.201 [C@H]12CC[C@H](C1)C(=O)OC2=O MCULE-4601747422 [0,1,0,1,0,0|1,0,1]=4 3083 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,0,1,0,1,0|2,0,0]=4 3084 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,0,1,0,1,0|2,0,0]=4 3085 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,0,1,0,1,0|2,0,0]=4 3086 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,0,1,0,1,0|2,0,0]=4 3087 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,0,1,0,1,0|2,0,0]=4 3088 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,0,1,0,1,0|2,0,0]=4 3089 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,0,1,0,1,0|2,0,0]=4 3090 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,0,1,0,1,0|2,0,0]=4 3091 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,0,1,0,1,0|2,0,0]=4 3092 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,0,1,0,1,0|1,0,1]=4 3093 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,0,1,0,1,0|1,0,1]=4 3094 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,0,1,0,1,0|2,0,0]=4 3095 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,0,1,0,1,0|1,0,0]=3 3096 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,0,1,0,1,0|2,0,0]=4 3097 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,0,1,0,1,0|2,0,0]=4 3098 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,0,1,0,1,0|2,0,0]=4 3099 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,0,1,0,1,0|2,0,0]=4 3100 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,0,1,0,1,0|2,0,0]=4 3101 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,0,1,0,1,0|2,0,0]=4 3102 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,0,1,0,1,0|2,0,0]=4 3103 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,1,0,1,0|1,0,0]=3 3104 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,0,1,0,1,0|2,0,0]=4 3105 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,0,1,0,1,0|2,0,0]=4 3106 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,0,1,0,1,0|2,0,0]=4 3107 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,0,1,0,1,0|1,0,1]=4 3108 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,0,1,0,1,0|1,0,1]=4 3109 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,0,1,0,1,0|1,0,1]=4 3110 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,0,1,0,1,0|1,0,1]=4 3111 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,0,1,0,1,0|1,0,1]=4 3112 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,0,1,0,1,0|1,0,1]=4 3113 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,0,1,0,1,0|1,0,1]=4 3114 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,0,1,0,1,0|0,0,2]=4 3115 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,0,1,0,1,0|2,0,0]=4 3116 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,0,1,0,1,0|2,0,0]=4 3117 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,0,1,0,1,0|2,0,0]=4 3118 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,0,1,0,1,0|2,0,0]=4 3119 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,0,1,0,1,0|2,0,0]=4 3120 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,0,1,0,1,0|1,0,1]=4 3121 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,0,1,0,1,0|1,0,1]=4 3122 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,0,1,0,1,0|0,0,2]=4 3123 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,1,0,1,0|2,0,0]=4 3124 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,1,0,1,0|2,0,0]=4 3125 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,1,0,1,0|2,0,0]=4 3126 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,1,0,1,0|2,0,0]=4 3127 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,0,1,0|1,0,1]=4 3128 B7R1.8 CCC1CCC1=O MCULE-5109615435 [1,0,0,0,1,0|1,0,1]=4 3129 B7R1.8 COC1CCC1=O MCULE-6511996246 [1,0,0,0,1,0|2,0,0]=4 3130 B7R1.8 CSC1CCC1=O MCULE-3892720319 [1,0,0,0,1,0|2,0,0]=4 3131 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [1,0,0,0,1,0|1,0,1]=4 3132 B7R1.8 O=C1CCC1CO MCULE-5501600764 [1,0,0,0,1,0|0,0,1]=3 3133 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [1,0,0,0,1,0|0,0,1]=3 3134 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [1,0,0,0,1,0|2,0,0]=4 3135 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [1,0,0,0,1,0|1,0,0]=3 3136 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,0,1,0|1,0,1]=4 3137 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,0,1,0|1,0,1]=4 3138 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,0,1,0|1,0,1]=4 3139 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,0,1,0|0,0,1]=3 3140 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,0,1,0|0,0,1]=3 3141 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,0,1,0|0,0,1]=3 3142 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,0,1,0|0,0,1]=3 3143 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,0,1,0|0,0,1]=3 3144 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,0,1,0|0,0,0]=2 3145 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,0,1,0|1,0,1]=4 3146 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,0,1,0|1,0,1]=4 3147 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,0,1,0|1,0,0]=3 3148 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,0,1,0|1,0,0]=3 3149 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,0,1,0|1,0,0]=3 3150 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,0,1,0|1,0,1]=4 3151 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,0,1,0|0,0,1]=3 3152 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,0,1,0|0,0,1]=3 3153 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,0,1,0|0,0,0]=2 3154 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,0,1,0|0,0,0]=2 3155 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,0,1,0|0,0,0]=2 3156 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,0,1,0|1,0,0]=3 3157 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,0,1,0|1,0,0]=3 3158 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,0,1,0|1,0,1]=4 3159 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,0,1,0|1,0,1]=4 3160 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,0,1,0|1,0,1]=4 3161 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,0,1,0|1,0,1]=4 3162 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,0,1,0|0,0,0]=2 3163 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,0,1,0|0,0,0]=2 3164 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,0,1,0|0,0,0]=2 3165 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,0,1,0|0,0,0]=2 3166 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,0,1,0|1,0,0]=3 3167 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,0,1,0|1,0,0]=3 3168 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,0,1,0|0,0,0]=2 3169 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,0,1,0|0,0,0]=2 3170 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,0,1,0|0,0,0]=2 3171 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,0,1,0|0,0,0]=2 3172 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,0,1,0|1,0,0]=3 3173 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,0,1,0|1,0,0]=3 3174 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,0,2,0|1,0,0]=3 3175 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,0,2,0|1,0,1]=4 3176 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,0,2,0|1,0,1]=4 3177 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,0,2,0|1,0,1]=4 3178 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,0,2,0|1,0,1]=4 3179 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,0,2,0|1,0,1]=4 3180 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,0,2,0|1,0,1]=4 3181 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,0,2,0|1,0,1]=4 3182 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,0,2,0|1,0,1]=4 3183 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,0,2,0|1,0,1]=4 3184 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,0,2,0|1,0,1]=4 3185 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,0,2,0|1,0,1]=4 3186 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,0,2,0|1,0,1]=4 3187 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,0,2,0|1,0,1]=4 3188 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,0,2,0|1,0,1]=4 3189 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,0,2,0|1,0,1]=4 3190 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,0,2,0|1,0,1]=4 3191 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,0,2,0|1,0,1]=4 3192 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,0,2,0|1,0,1]=4 3193 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,0,2,0|1,0,1]=4 3194 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,0,2,0|1,0,1]=4 3195 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,0,2,0|1,0,1]=4 3196 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,0,2,0|1,0,1]=4 3197 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,0,2,0|1,0,1]=4 3198 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,0,2,0|1,0,1]=4 3199 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,0,2,0|1,0,1]=4 3200 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,0,2,0|1,0,1]=4 3201 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,0,2,0|1,0,1]=4 3202 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,0,2,0|1,0,1]=4 3203 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,0,2,0|1,0,1]=4 3204 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,0,2,0|1,0,1]=4 3205 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,0,2,0|1,0,1]=4 3206 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,0,2,0|1,0,1]=4 3207 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,0,2,0|1,0,1]=4 3208 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,0,2,0|1,0,1]=4 3209 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,0,1,0,0,1|1,0,0]=3 3210 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,0,1,0,0,1|1,0,0]=3 3211 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,0,1,0,0,1|1,0,1]=4 3212 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,0,1,0,0,1|1,0,1]=4 3213 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,0,1,0,0,1|1,0,1]=4 3214 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,0,1,0,0,1|1,0,1]=4 3215 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,0,1,0,0,1|2,0,0]=4 3216 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,0,1,0,0,1|2,0,0]=4 3217 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,0,1,0,0,1|2,0,0]=4 3218 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,0,1,0,0,1|2,0,0]=4 3219 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,0,1,0,0,1|2,0,0]=4 3220 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,0,1,0,0,1|2,0,0]=4 3221 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,0,1,0,0,1|2,0,0]=4 3222 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,0,1,0,0,1|2,0,0]=4 3223 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,0,1,0,0,1|2,0,0]=4 3224 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,0,1,0,0,1|2,0,0]=4 3225 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,0,1,0,0,1|1,0,1]=4 3226 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,0,1,0,0,1|1,0,1]=4 3227 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,0,1,0,0,1|1,0,1]=4 3228 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,0,1,0,0,1|1,0,1]=4 3229 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,0,1,0,0,1|1,0,1]=4 3230 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,1,0,0,1|2,0,0]=4 3231 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,1,0,0,1|2,0,0]=4 3232 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,1,0,0,1|2,0,0]=4 3233 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,1,0,0,1|2,0,0]=4 3234 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,1,0,0,1|2,0,0]=4 3235 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,1,0,0,1|1,0,0]=3 3236 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,1,0,0,1|2,0,0]=4 3237 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,1,0,0,1|1,0,0]=3 3238 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,1,0,0,1|1,0,0]=3 3239 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,1,0,0,1|1,0,0]=3 3240 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,1,0,0,1|1,0,1]=4 3241 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,1,0,0,1|1,0,1]=4 3242 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,1,0,0,1|1,0,0]=3 3243 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,1,0,0,1|1,0,0]=3 3244 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,1,0,0,1|0,0,0]=2 3245 B9R0.55 NC(=O)CCCN=C(N)N MCULE-3216497199 [0,0,1,0,0,1|2,0,0]=4 3246 B9R0.55 NC(=O)CCCN=C(N)N MCULE-6570668893 [0,0,1,0,0,1|2,0,0]=4 3247 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,1,0,0,1|1,0,0]=3 3248 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,1,0,0,1|0,0,0]=2 3249 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,1,0,0,1|0,0,0]=2 3250 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,1,0,0,1|2,0,0]=4 3251 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,1,0,0,1|1,0,1]=4 3252 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,1,0,0,1|1,0,1]=4 3253 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,1,0,0,1|1,0,1]=4 3254 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,1,0,0,1|1,0,1]=4 3255 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,1,0,0,1|1,0,0]=3 3256 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,1,0,0,1|1,0,0]=3 3257 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,1,0,0,1|1,0,0]=3 3258 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,1,0,0,1|1,0,0]=3 3259 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,1,0,0,1|1,0,0]=3 3260 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,1,0,0,1|2,0,0]=4 3261 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,1,0,0,1|2,0,0]=4 3262 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,1,0,0,1|2,0,0]=4 3263 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,1,0,0,1|1,0,0]=3 3264 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,1,0,0,1|1,0,0]=3 3265 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,1,0,0,1|1,0,0]=3 3266 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,1,0,0,1|1,0,1]=4 3267 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,1,0,0,1|1,0,1]=4 3268 B9R1.2 C=C1CC(CCO1)C=O MCULE-3057874524 [1,0,0,0,0,1|2,0,0]=4 3269 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [1,0,0,0,0,1|2,0,0]=4 3270 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [1,0,0,0,0,1|1,0,1]=4 3271 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [1,0,0,0,0,1|1,0,1]=4 3272 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [1,0,0,0,0,1|1,0,1]=4 3273 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [1,0,0,0,0,1|1,0,1]=4 3274 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [1,0,0,0,0,1|1,0,1]=4 3275 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [1,0,0,0,0,1|2,0,0]=4 3276 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [1,0,0,0,0,1|1,0,1]=4 3277 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [1,0,0,0,0,1|1,0,1]=4 3278 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [1,0,0,0,0,1|1,0,1]=4 3279 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [1,0,0,0,0,1|1,0,1]=4 3280 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [1,0,0,0,0,1|1,0,1]=4 3281 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [1,0,0,0,0,1|1,0,1]=4 3282 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [1,0,0,0,0,1|0,0,1]=3 3283 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [1,0,0,0,0,1|0,0,1]=3 3284 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [1,0,0,0,0,1|1,0,1]=4 3285 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [1,0,0,0,0,1|0,0,1]=3 3286 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [1,0,0,0,0,1|0,0,1]=3 3287 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [1,0,0,0,0,1|0,0,1]=3 3288 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [1,0,0,0,0,1|0,0,1]=3 3289 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [1,0,0,0,0,1|0,0,1]=3 3290 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [1,0,0,0,0,1|0,0,1]=3 3291 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [1,0,0,0,0,1|1,0,1]=4 3292 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [1,0,0,0,0,1|0,0,1]=3 3293 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [1,0,0,0,0,1|0,0,1]=3 3294 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [1,0,0,0,0,1|2,0,0]=4 3295 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [1,0,0,0,0,1|2,0,0]=4 3296 B9R1.13 CC(=O)OC1C=CCC1 MCULE-5058666304 [1,0,0,0,0,1|2,0,0]=4 3297 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [1,0,0,0,0,1|1,0,1]=4 3298 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [1,0,0,0,0,1|1,0,1]=4 3299 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [1,0,0,0,0,1|1,0,1]=4 3300 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [1,0,0,0,0,1|1,0,1]=4 3301 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [1,0,0,0,0,1|1,0,1]=4 3302 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [1,0,0,0,0,1|1,0,1]=4 3303 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,0,0,0,1|1,0,0]=3 3304 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [1,0,0,0,0,1|1,0,1]=4 3305 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [1,0,0,0,0,1|1,0,1]=4 3306 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [1,0,0,0,0,1|0,0,1]=3 3307 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [1,0,0,0,0,1|0,0,1]=3 3308 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [1,0,0,0,0,1|1,0,1]=4 3309 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [1,0,0,0,0,1|2,0,0]=4 3310 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [1,0,0,0,0,1|2,0,0]=4 3311 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [1,0,0,0,0,1|2,0,0]=4 3312 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [1,0,0,0,0,1|2,0,0]=4 3313 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [1,0,0,0,0,1|2,0,0]=4 3314 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [1,0,0,0,0,1|0,0,1]=3 3315 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [1,0,0,0,0,1|0,0,1]=3 3316 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [1,0,0,0,0,1|0,0,1]=3 3317 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [1,0,0,0,0,1|1,0,1]=4 3318 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [1,0,0,0,0,1|2,0,0]=4 3319 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [1,0,0,0,0,1|2,0,0]=4 3320 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [1,0,0,0,0,1|2,0,0]=4 3321 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [1,0,0,0,0,1|2,0,0]=4 3322 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [1,0,0,0,0,1|2,0,0]=4 3323 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [1,0,0,0,0,1|2,0,0]=4 3324 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [1,0,0,0,0,1|0,0,1]=3 3325 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [1,0,0,0,0,1|0,0,1]=3 3326 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [1,0,0,0,0,1|0,0,1]=3 3327 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [1,0,0,0,0,1|0,0,1]=3 3328 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [1,0,0,0,0,1|2,0,0]=4 3329 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [1,0,0,0,0,1|2,0,0]=4 3330 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [1,0,0,0,0,1|2,0,0]=4 3331 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [1,0,0,0,0,1|2,0,0]=4 3332 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [1,0,0,0,0,1|2,0,0]=4 3333 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [1,0,0,0,0,1|2,0,0]=4 3334 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [1,0,0,0,0,1|0,0,1]=3 3335 B11R1.20 CC(=O)NC1CCC(=O)CC1 MCULE-7983694594 [0,0,0,0,0,2|2,0,0]=4 3336 B11R1.20 CC(=O)OC1CCC(=O)CC1 MCULE-8690712702 [0,0,0,0,0,2|2,0,0]=4 3337 B11R1.20 CC(=O)SC1CCC(=O)CC1 MCULE-2776970558 [0,0,0,0,0,2|2,0,0]=4 3338 B11R1.20 O=C(O)CC1CCC(=O)CC1 MCULE-2016363878 [0,0,0,0,0,2|1,0,0]=3 3339 B11R1.20 O=C(O)CC1CCC(=O)NC1 MCULE-8185955859 [0,0,0,0,0,2|0,0,0]=2 3340 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-3025420805 [0,0,0,0,0,2|2,0,0]=4 3341 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-8201873344 [0,0,0,0,0,2|2,0,0]=4 3342 B11R1.565 O=C1CCC(CCN1)C(=O)O MCULE-3530109531 [0,0,0,0,0,2|0,0,0]=2 3343 B11R1.565 O=C1CCC(CCO1)C(=O)O MCULE-4871150325 [0,0,0,0,0,2|1,0,0]=3 3344 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,0,0,0,0,2|1,0,0]=3 3345 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,0,0,0,0,2|1,0,0]=3 3346 B11R1.75 O=C(O)CCC1CCC(=O)N1 MCULE-5441119091 [0,0,0,0,0,2|0,0,0]=2 3347 B11R1.75 O=C(O)CCC1CCC(=O)O1 MCULE-8294926143 [0,0,0,0,0,2|1,0,0]=3 3348 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)O1 MCULE-3037208101 [0,0,0,0,0,2|1,0,0]=3 3349 B11R1.75 O=C(O)CSC1CCC(=O)N1 MCULE-5586941236 [0,0,0,0,0,2|0,0,0]=2 3350 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,0,0,0,2|1,0,0]=3 3351 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,0,0,2|1,0,0]=3 3352 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,0,0,2|0,0,0]=2 3353 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,0,0,0,0,2|1,0,0]=3 3354 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,0,0,0,0,2|1,0,0]=3 3355 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-4021947928 [0,0,0,0,0,2|2,0,0]=4 3356 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-8867275494 [0,0,0,0,0,2|2,0,0]=4 3357 B11R1.157 O=C(O)CN1CCOC(=O)C1 MCULE-8468609722 [0,0,0,0,0,2|2,0,0]=4 3358 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,0,0,0,0,2|2,0,0]=4 3359 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [0,0,0,0,0,2|1,0,0]=3 3360 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,0,0,0,0,2|1,0,0]=3 3361 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,0,0,0,0,2|0,0,0]=2 3362 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,0,0,0,0,2|0,0,0]=2