0 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,0,0,0,0,0|1,1,1]=3 17 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,0,0,0,0,0|1,0,1]=2 23 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,0,0,0,0,0|1,0,1]=2 24 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,0,0,0,0,0|1,0,1]=2 27 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,0,0,0,0,0|1,0,1]=2 28 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,0,0,0,0,0|1,0,1]=2 30 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,0,0,0,0,0|1,0,1]=2 32 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,0,0,0,0,0|1,0,1]=2 33 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,0,0,0,0,0|1,0,1]=2 34 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,0,0,0,0,0|1,0,1]=2 35 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,0,0,0,0,0|2,1,0]=3 39 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,0,0,0,0,0|2,1,0]=3 41 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,0,0,0,0,0|3,1,0]=4 44 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [0,0,0,0,0,0|2,1,1]=4 45 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [0,0,0,0,0,0|2,1,1]=4 46 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,0,0,0,0,0|2,1,0]=3 51 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,0,0,0,0,0|1,1,0]=2 52 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,0,0,0,0,0|1,1,1]=3 53 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,0,0,0,0,0|2,1,1]=4 56 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,0,0,0,0,0|2,0,0]=2 73 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,0,0,0,0,0|2,0,0]=2 74 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,0,0,0,0,0|2,0,0]=2 75 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,0,0,0,0,0|1,0,0]=1 76 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,0,0,0,0,0|1,0,0]=1 77 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,0,0,0,0,0|1,0,0]=1 78 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,0,0,0,0,0|4,0,0]=4 82 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,0,0,0,0,0|1,0,0]=1 83 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,0,0,0,0,0|1,0,0]=1 84 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,0,0,0,0,0|2,0,0]=2 85 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,0,0,0,0,0|2,0,0]=2 86 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,0,0,0,0,0|2,0,0]=2 87 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,0,0,0,0,0|2,0,0]=2 88 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,0,0,0,0,0|1,0,0]=1 91 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,0,0,0,0,0|1,0,0]=1 92 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,0,0,0,0,0|1,0,0]=1 93 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,0,0,0,0,0|2,0,0]=2 94 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,0,0,0,0,0|2,0,0]=2 95 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,0,0,0,0,0|2,0,0]=2 107 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,0,0,0,0,0|2,0,0]=2 108 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,0,0,0,0,0|2,0,0]=2 109 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,0,0,0,0,0|2,0,0]=2 111 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,0,0,0,0,0|2,0,0]=2 112 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,0,0,0,0,0|3,0,0]=3 115 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,0,0,0,0,0|3,0,0]=3 116 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,0,0,0,0,0|3,0,0]=3 118 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,0,0,0,0,0|2,0,0]=2 120 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,0,0,0,0,0|2,0,0]=2 121 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,0,0,0,0,0|2,0,0]=2 122 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,0,0,0,0,0|3,0,0]=3 123 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,0,0,0,0,0|2,0,0]=2 126 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,0,0,0,0,0|2,0,0]=2 127 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,0,0,0,0,0|2,0,0]=2 130 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,0,0,0,0,0|2,0,0]=2 131 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,0,0,0,0,0|3,0,0]=3 132 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,0,0,0,0,0|2,0,0]=2 133 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,0,0,0,0,0|2,0,0]=2 135 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,0,0,0,0,0|1,0,0]=1 136 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,0,0,0,0,0|4,0,0]=4 137 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,0,0,0,0,0|4,0,0]=4 138 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,0,0,0,0,0|4,0,0]=4 139 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,0,0,0,0,0|4,0,0]=4 140 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,0,0,0,0,0|4,0,0]=4 141 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,0,0,0,0,0|2,1,1]=4 143 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,0,0,0,0,0|2,1,1]=4 144 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,0,0,0,0,0|2,0,0]=2 145 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,0,0,0,0,0|2,0,0]=2 146 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,0,0,0,0,0|2,0,0]=2 147 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,0,0,0,0,0|2,0,0]=2 148 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,0,0,0,0,0|2,0,0]=2 149 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,0,0,0,0,0|2,0,0]=2 150 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,0,0,0,0,0|1,0,1]=2 151 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,0,0,0,0,0|1,0,1]=2 152 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,0,0,0,0,0|1,0,1]=2 153 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,0,0,0,0,0|3,0,0]=3 154 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,0,0,0,0,0|1,0,0]=1 155 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,0,0,0,0,0|1,0,0]=1 156 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,0,0,0,0,0|1,0,0]=1 157 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,0,0,0,0,0|1,0,0]=1 158 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,0,0,0,0,0|0,1,0]=1 159 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,0,0,0,0,0|0,1,0]=1 160 B7R0.5 NC(CCO)C(F)F MCULE-1854847569 [0,0,0,0,0,0|2,1,1]=4 161 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,0,0,0,0,0|0,0,0]=0 162 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,0,0,0,0,0|0,0,0]=0 163 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,0,0,0,0,0|1,1,0]=2 164 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,0,0,0,0,0|2,0,0]=2 165 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,0,0,0,0,0|2,0,0]=2 166 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,0,0,0,0,0|1,0,0]=1 167 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,0,0,0,0,0|1,0,0]=1 168 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,0,0,0,0,0|1,0,0]=1 169 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,0,0,0,0,0|1,0,0]=1 170 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,0,0,0,0,0|1,0,0]=1 171 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,0,0,0,0,0|1,0,0]=1 172 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,0,0,0,0,0|1,0,0]=1 173 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,0,0,0,0,0|2,0,0]=2 174 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,0,0,0,0,0|2,0,0]=2 175 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,0,0,0,0,0|1,0,0]=1 176 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,0,0,0,0,0|1,0,0]=1 177 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,0,0,0,0,0|1,0,0]=1 178 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,0,0,0,0,0|1,0,0]=1 179 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,0,0,0,0,0|2,0,0]=2 180 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,0,0,0,0,0|1,0,0]=1 181 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,0,0,0,0,0|1,0,0]=1 182 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,0,0,0,0,0|1,0,0]=1 183 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,0,0,0,0,0|1,0,0]=1 184 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,0,0,0,0,0|1,0,0]=1 185 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,0,0,0,0,0|1,0,0]=1 186 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,0,0,0,0,0|1,0,0]=1 187 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,0,0,0,0,0|1,0,0]=1 188 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,0,0,0,0,0|1,0,0]=1 189 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,0,0,0,0,0|2,0,0]=2 190 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,0,0,0,0,0|2,0,0]=2 191 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,0,0,0,0,0|2,0,0]=2 192 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,0,0,0,0,0|1,0,0]=1 193 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,0,0,0,0,0|1,0,0]=1 194 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,0,0,0,0,0|1,0,0]=1 195 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,0,0,0,0,0|1,0,0]=1 196 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,0,0,0,0,0|0,1,0]=1 197 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,0,0,0,0,0|0,1,0]=1 198 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,0,0,0,0,0|0,0,0]=0 199 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,0,0,0,0,0|0,0,0]=0 200 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,0,0,0,0,0|1,0,0]=1 201 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,0,0,0,0,0|1,0,0]=1 202 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,0,0,0,0,0|1,0,0]=1 203 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,0,0,0,0,0|0,1,0]=1 204 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,0,0,0,0,0|0,1,0]=1 205 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,0,0,0,0,0|0,0,0]=0 206 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,0,0,0,0,0|0,0,0]=0 207 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,0,0,0,0,0|3,0,0]=3 208 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,0,0,0,0,0|3,0,0]=3 209 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,0,0,0,0,0|3,0,0]=3 210 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,0,0,0,0,0|2,0,0]=2 211 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,0,0,0,0,0|1,1,0]=2 212 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,0,0,0,0,0|1,0,1]=2 213 B6R0.1 C#CC(N)CCC MCULE-1649795667 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.1 C#CC(N)CCC MCULE-4074347601 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.1 C#CCC(N)CO MCULE-5669035635 [1,0,0,0,0,0|1,0,2]=4 216 B6R0.1 C#CC[C@@H](N)CO MCULE-2638776426 [1,0,0,0,0,0|1,0,2]=4 217 B6R0.1 C#CC[C@@H](N)CO MCULE-7710952185 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.1 C#CC[C@H](N)CO MCULE-8069295628 [1,0,0,0,0,0|1,0,2]=4 219 B6R0.1 C#CC[C@H](N)CO MCULE-9440234580 [1,0,0,0,0,0|1,0,2]=4 220 B6R0.1 C=CC(C)CCC MCULE-2692803387 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.1 C=CC(C)CCO MCULE-2890369298 [1,0,0,0,0,0|2,1,0]=4 222 B6R0.1 C=CC(N)CCO MCULE-7781906138 [1,0,0,0,0,0|1,1,0]=3 223 B6R0.1 C=CC(N)COC MCULE-3217346081 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.1 C=CC(O)CCC MCULE-3664453040 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.1 C=CC(O)CCN MCULE-9346205308 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.1 C=CCC(N)CO MCULE-3854217705 [1,0,0,0,0,0|1,0,2]=4 228 B6R0.1 C=CCC(N)CO MCULE-6104194102 [1,0,0,0,0,0|1,0,2]=4 229 B6R0.1 C=CCC(N)CO MCULE-6473126335 [1,0,0,0,0,0|1,0,2]=4 230 B6R0.1 C=CCC(N)CO MCULE-8430673873 [1,0,0,0,0,0|1,0,2]=4 231 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [1,0,0,0,0,0|1,0,2]=4 232 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [1,0,0,0,0,0|1,0,2]=4 233 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [1,0,0,0,0,0|1,0,2]=4 234 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [1,0,0,0,0,0|1,0,2]=4 235 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [1,0,0,0,0,0|1,0,2]=4 237 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [1,0,0,0,0,0|1,0,2]=4 238 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [1,0,0,0,0,0|1,0,2]=4 239 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [1,0,0,0,0,0|1,0,2]=4 240 B6R0.1 CC(CO)CCN MCULE-9900244005 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,0,0,0,0,0|1,1,1]=4 242 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,0,0,0,0,0|1,1,1]=4 243 B6R0.1 CCC(N)CCN MCULE-8956610037 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,0,0,0,0,0|1,1,1]=4 245 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,0,0,0,0,0|1,1,1]=4 246 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.1 CCCC(C)C=O MCULE-9756444218 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.1 CCCC(C)CO MCULE-9777250826 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.1 CCCC(N)C#N MCULE-6830545935 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.1 CCCC(N)C#N MCULE-9818121096 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.1 CCCC(N)CC MCULE-5349906741 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.1 CCCC(N)CC MCULE-7172418373 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.1 CCCC(N)CN MCULE-8606218569 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.1 CCCC(N)CO MCULE-3404967504 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.1 CCCC(N)CO MCULE-3802448518 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.1 CCCC(N)CO MCULE-4259078445 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.1 CCCC(N)CO MCULE-6425025734 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [1,0,0,0,0,0|1,0,1]=3 263 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [1,0,0,0,0,0|1,0,1]=3 264 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [1,0,0,0,0,0|1,0,1]=3 265 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [1,0,0,0,0,0|1,0,1]=3 269 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [1,0,0,0,0,0|1,0,1]=3 270 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [1,0,0,0,0,0|1,0,1]=3 271 B6R0.1 CN(C=O)CCO MCULE-3588371476 [1,0,0,0,0,0|2,1,0]=4 272 B6R0.1 COCC(C)C=O MCULE-7679332713 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.1 COCC(N)CO MCULE-2141613120 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.1 COCC(N)CO MCULE-3194232042 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.1 COCC(N)CO MCULE-6545937769 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.1 COCC(N)CO MCULE-7989665777 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,0,0,0,0,0|1,1,1]=4 288 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,0,0,0,0,0|1,1,1]=4 289 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,0,0,0,0,0|1,1,1]=4 290 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,0,0,0,0,0|1,1,1]=4 291 B6R0.1 NC(CO)CCF MCULE-3691993352 [1,0,0,0,0,0|1,0,1]=3 292 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,0,0,0,0,0|0,1,1]=3 293 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,0,0,0,0,0|0,1,1]=3 294 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,0,0,0,0,0|1,1,1]=4 295 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.1 NCCC(O)CO MCULE-2556586168 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,0,0,0,0,0|0,1,1]=3 298 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,0,0,0,0,0|0,1,1]=3 299 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,0,0,0,0,0|0,1,1]=3 300 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,0,0,0,0,0|0,1,1]=3 301 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [1,0,0,0,0,0|0,1,1]=3 302 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [1,0,0,0,0,0|0,1,1]=3 303 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [1,0,0,0,0,0|0,1,1]=3 304 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [1,0,0,0,0,0|0,1,1]=3 305 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,0,0,0,0,0|1,1,1]=4 306 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,0,0,0,0,0|1,1,1]=4 307 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,0,0,0,0,0|1,1,1]=4 308 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,0,0,0,0,0|1,1,1]=4 309 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,0,0,0,0,0|1,1,1]=4 310 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,0,0,0,0,0|1,1,1]=4 311 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,0,0,0,0,0|1,0,2]=4 312 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,0,0,0,0,0|2,0,0]=3 313 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,0,0,0,0,0|1,1,0]=3 314 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,0,0,0,0,0|1,1,0]=3 315 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,0,0,0,0,0|1,0,2]=4 316 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,0,0,0,0,0|1,0,2]=4 317 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,0,0,0,0,0|1,0,2]=4 318 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,0,0,0,0,0|1,0,2]=4 319 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,0,0,0,0,0|1,0,1]=3 322 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,0,0,0,0,0|1,1,1]=4 323 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,0,0,0,0,0|1,0,2]=4 325 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,0,0,0,0,0|0,0,2]=3 326 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,0,0,0,0,0|0,0,2]=3 327 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,0,0,0,0,0|0,0,2]=3 328 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,0,0,0,0,0|0,0,2]=3 329 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,0,0,0,0,0|1,0,2]=4 330 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,0,0,0,0,0|1,0,2]=4 331 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,0,0,0,0,0|0,0,2]=3 332 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,0,0,0,0,0|0,0,2]=3 333 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,0,0,0,0,0|0,0,2]=3 334 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,0,0,0,0,0|1,0,2]=4 335 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,0,0,0,0,0|1,0,2]=4 336 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,0,0,0,0,0|1,0,2]=4 337 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,0,0,0,0,0|0,0,2]=3 338 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,0,0,0,0,0|0,0,2]=3 339 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,0,0,0,0,0|0,0,2]=3 340 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,0,0,0,0,0|0,0,2]=3 341 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,0,0,0,0,0|2,1,0]=4 342 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,0,0,0,0,0|1,1,0]=3 343 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,0,0,0,0,0|1,1,0]=3 344 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,0,0,0,0,0|2,0,0]=3 347 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,0,0,0,0,0|2,0,0]=3 348 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,0,0,0,0,0|1,1,0]=3 350 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,0,0,0,0,0|1,1,1]=4 351 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,0,0,0,0,0|1,0,0]=2 352 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [1,0,0,0,0,0|1,1,1]=4 355 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,0,0,0,0,0|3,0,0]=4 356 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,0,0,0,0,0|1,0,2]=4 360 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,0,0,0,0,0|1,0,2]=4 361 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,0,0,0,0,0|1,0,2]=4 362 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,0,0,0,0,0|1,0,2]=4 363 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,0,0,0,0,0|1,0,2]=4 364 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,0,0,0,0,0|1,0,1]=3 366 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,0,0,0,0,0|1,0,2]=4 367 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,0,0,0,0,0|2,0,0]=3 368 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,0,0,0,0,0|2,0,0]=3 369 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,0,0,0,0,0|2,0,0]=3 370 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,0,0,0,0,0|2,0,0]=3 371 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,0,0,0,0,0|1,0,0]=2 372 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [1,0,0,0,0,0|3,0,0]=4 375 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,0,0,0,0,0|2,0,0]=3 376 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,0,0,0,0,0|2,0,0]=3 377 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,0,0,0,0,0|2,0,0]=3 378 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,0,0,0,0,0|1,0,0]=2 379 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,0,0,0,0,0|1,0,0]=2 380 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [1,0,0,0,0,0|2,1,0]=4 381 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,0,0,0,0,0|2,0,0]=3 383 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,0,0,0,0,0|2,0,0]=3 384 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,0,0,0,0,0|1,0,0]=2 385 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,0,0,0,0,0|1,0,0]=2 386 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,0,0,0,0,0|1,0,0]=2 387 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,0,0,0,0,0|1,0,0]=2 388 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,0,0,0,0,0|1,0,0]=2 389 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,0,0,0,0,0|1,0,0]=2 390 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,0,0,0,0,0|0,0,0]=1 391 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,0,0,0,0,0|0,0,0]=1 392 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,0,0,0,0,0|0,0,0]=1 393 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,0,0,0,0,0|0,0,0]=1 394 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [1,0,0,0,0,0|1,0,1]=3 397 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [1,0,0,0,0,0|1,0,1]=3 398 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,0,0,0,0,0|2,0,0]=3 401 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,0,0,0,0,0|1,0,0]=2 402 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,0,0,0,0,0|1,0,0]=2 403 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,0,0,0,0,0|1,0,1]=3 404 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,0,0,0,0,0|1,0,1]=3 405 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,0,0,0,0,0|2,0,0]=3 407 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,0,0,0,0,0|1,0,0]=2 408 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,0,0,0,0,0|3,0,0]=4 409 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [1,0,0,0,0,0|3,0,0]=4 410 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,0,0,0,0,0|2,0,0]=3 411 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,0,0,0,0,0|3,0,0]=4 412 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,0,0,0,0,0|1,0,0]=2 413 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,0,0,0,0,0|1,0,0]=2 414 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,0,0,0,0,0|2,0,0]=3 415 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,0,0,0,0,0|2,0,0]=3 416 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,0,0,0,0,0|1,0,0]=2 417 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,0,0,0,0,0|1,0,0]=2 418 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,0,0,0,0,0|1,0,0]=2 419 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,0,0,0,0,0|1,0,0]=2 420 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,0,0,0,0,0|1,0,0]=2 421 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,0,0,0,0,0|1,0,0]=2 422 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,0,0,0,0,0|1,0,0]=2 423 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,0,0,0,0,0|1,0,0]=2 424 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,0,0,0,0,0|0,0,0]=1 425 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,0,0,0,0,0|0,0,0]=1 426 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,0,0,0,0,0|0,0,0]=1 427 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,0,0,0,0,0|0,0,0]=1 428 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [1,0,0,0,0,0|1,0,1]=3 429 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [1,0,0,0,0,0|1,0,1]=3 430 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,0,0,0,0,0|1,0,0]=2 431 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,0,0,0,0,0|1,0,0]=2 432 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,0,0,0,0,0|1,0,0]=2 433 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,0,0,0,0,0|1,0,0]=2 434 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,0,0,0,0,0|1,0,0]=2 435 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,0,0,0,0,0|1,0,0]=2 436 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,0,0,0,0,0|1,0,0]=2 437 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,0,0,0,0,0|1,0,0]=2 438 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,0,0,0,0,0|1,0,0]=2 439 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,0,0,0,0,0|1,0,0]=2 440 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,0,0,0,0,0|1,0,0]=2 441 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,0,0,0,0,0|0,0,0]=1 442 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,0,0,0,0,0|0,0,0]=1 443 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,0,0,0,0,0|0,0,0]=1 444 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,0,0,0,0,0|0,0,0]=1 445 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [1,0,0,0,0,0|0,1,0]=2 446 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [1,0,0,0,0,0|0,1,0]=2 447 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [1,0,0,0,0,0|2,0,1]=4 448 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [1,0,0,0,0,0|1,0,1]=3 450 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [1,0,0,0,0,0|1,0,1]=3 451 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [1,0,0,0,0,0|1,0,1]=3 452 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [1,0,0,0,0,0|1,0,1]=3 453 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [1,0,0,0,0,0|1,0,1]=3 454 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [1,0,0,0,0,0|1,0,1]=3 455 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,0,0,0,0,0|1,0,0]=2 456 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,0,0,0,0,0|1,0,0]=2 457 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,0,0,0,0,0|1,0,1]=3 458 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,0,0,0,0,0|3,0,0]=4 460 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,0,0,0,0,0|3,0,0]=4 461 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,0,0,0,0,0|2,0,0]=3 462 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,0,0,0,0,0|2,0,0]=3 463 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,0,0,0,0,0|3,0,0]=4 465 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,0,0,0,0,0|2,0,0]=3 466 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,0,0,0,0,0|2,0,0]=3 467 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,0,0,0,0,0|2,0,0]=3 468 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,0,0,0,0,0|2,0,0]=3 469 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,0,0,0,0,0|2,0,0]=3 470 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,0,0,0,0,0|2,0,0]=3 471 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,0,0,0,0,0|2,0,0]=3 475 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,0,0,0,0,0|3,0,0]=4 477 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,0,0,0,0,0|2,0,0]=3 478 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [1,0,0,0,0,0|3,0,0]=4 479 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,0,0,0,0,0|2,0,0]=3 480 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,0,0,0,0,0|2,0,0]=3 481 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,0,0,0,0,0|2,0,0]=3 482 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,0,0,0,0,0|2,0,0]=3 483 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,0,0,0,0,0|3,0,0]=4 484 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,0,0,0,0,0|2,0,0]=3 485 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,0,0,0,0,0|2,0,0]=3 486 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,0,0,0,0,0|2,0,0]=3 487 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,0,0,0,0,0|2,0,0]=3 488 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,0,0,0,0,0|1,1,0]=3 490 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,0,0,0,0,0|1,1,0]=3 491 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [1,0,0,0,0,0|1,1,1]=4 492 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [1,0,0,0,0,0|1,1,1]=4 493 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [1,0,0,0,0,0|1,1,1]=4 494 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [1,0,0,0,0,0|1,1,1]=4 495 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [1,0,0,0,0,0|1,1,1]=4 496 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [1,0,0,0,0,0|1,1,1]=4 497 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,0,0,0,0,0|3,0,0]=4 498 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,0,0,0,0,0|3,0,0]=4 499 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,0,0,0,0,0|2,0,0]=3 500 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,0,0,0,0,0|2,0,0]=3 501 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,0,0,0,0,0|2,0,0]=3 502 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,0,0,0,0,0|2,0,0]=3 503 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,0,0,0,0,0|1,1,0]=3 504 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,0,0,0,0,0|1,1,0]=3 505 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,0,0,0,0,0|1,1,1]=4 506 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [1,0,0,0,0,0|1,1,1]=4 507 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [1,0,0,0,0,0|1,1,1]=4 508 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [1,0,0,0,0,0|1,1,1]=4 509 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [1,0,0,0,0,0|1,1,1]=4 510 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [1,0,0,0,0,0|1,1,1]=4 511 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [1,0,0,0,0,0|2,0,1]=4 514 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [1,0,0,0,0,0|3,0,0]=4 515 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [1,0,0,0,0,0|3,0,0]=4 516 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,0,0,0,0,0|1,1,0]=3 517 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,0,0,0,0,0|1,1,0]=3 518 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [1,0,0,0,0,0|1,0,0]=2 519 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [1,0,0,0,0,0|1,0,0]=2 520 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,0,0,0,0,0|1,1,0]=3 521 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,0,0,0,0,0|1,1,0]=3 522 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,0,0,0,0,0|1,1,0]=3 523 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [1,0,0,0,0,0|1,0,0]=2 524 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,0,0,0,0,0|1,1,0]=3 525 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,0,0,0,0,0|1,1,0]=3 526 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,0,0,0,0,0|1,1,0]=3 527 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,0,0,0,0,0|1,1,0]=3 528 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,0,0,0,0,0|1,0,0]=2 529 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,0,0,0,0,0|1,0,0]=2 530 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,0,0,0,0,0|1,0,0]=2 531 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,0,0,0,0,0|1,0,0]=2 532 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,0,0,0,0,0|0,1,0]=2 533 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,0,0,0,0,0|0,1,0]=2 534 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,0,0,0,0,0|0,0,0]=1 535 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,0,0,0,0,0|0,0,0]=1 536 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,0,0,0,0,0|0,0,0]=1 537 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,0,0,0,0,0|0,0,0]=1 538 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,0,0,0,0,0|2,0,0]=3 539 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,0,0,0,0,0|2,0,0]=3 540 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,0,0,0,0,0|2,0,0]=3 541 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,0,0,0,0,0|2,0,0]=3 542 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,0,0,0,0,0|1,0,0]=2 543 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,0,0,0,0,0|1,0,0]=2 544 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,0,0,0,0,0|1,0,0]=2 545 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,0,0,0,0,0|1,0,0]=2 546 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,0,0,0,0,0|1,0,0]=2 547 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,0,0,0,0,0|3,0,0]=4 548 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,0,0,0,0,0|3,0,0]=4 549 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,0,0,0,0,0|2,0,0]=3 550 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,0,0,0,0,0|2,0,0]=3 551 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,0,0,0,0,0|2,0,0]=3 552 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,0,0,0,0,0|2,0,0]=3 553 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,0,0,0,0,0|2,0,0]=3 554 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,0,0,0,0,0|2,0,0]=3 555 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,0,0,0,0,0|1,0,0]=2 556 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,0,0,0,0,0|1,0,0]=2 557 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,0,0,0,0,0|1,0,0]=2 558 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,0,0,0,0,0|2,0,0]=3 559 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,0,0,0,0,0|2,0,0]=3 560 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,0,0,0,0,0|2,0,0]=3 561 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,0,0,0,0,0|2,0,0]=3 562 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,0,0,0,0,0|2,0,0]=3 563 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,0,0,0,0,0|2,0,0]=3 564 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,0,0,0,0,0|1,0,0]=2 565 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,0,0,0,0,0|1,0,0]=2 566 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,0,0,0,0,0|1,0,0]=2 567 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,0,0,0,0,0|1,0,0]=2 568 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,0,0,0,0,0|1,0,0]=2 569 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,0,0,0,0,0|1,0,0]=2 570 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,0,0,0,0,0|2,0,0]=3 571 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,0,0,0,0,0|2,0,0]=3 572 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,0,0,0,0,0|1,0,0]=2 573 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,0,0,0,0,0|1,0,0]=2 574 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,0,0,0,0,0|1,0,0]=2 575 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,0,0,0,0,0|1,0,0]=2 576 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,0,0,0,0,0|0,1,0]=2 577 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,0,0,0,0,0|0,1,0]=2 578 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,0,0,0,0,0|0,1,0]=2 579 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,0,0,0,0,0|0,1,0]=2 580 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,0,0,0,0,0|0,0,0]=1 581 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,0,0,0,0,0|0,0,0]=1 582 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,0,0,0,0,0|0,0,0]=1 583 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,0,0,0,0,0|0,0,0]=1 584 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,0,0,0,0,0|1,0,0]=2 585 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,0,0,0,0,0|1,0,0]=2 586 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,0,0,0,0,0|1,0,0]=2 587 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,0,0,0,0,0|1,0,0]=2 588 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,0,0,0,0,0|1,0,0]=2 589 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,0,0,0,0,0|1,0,0]=2 590 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,0,0,0,0,0|0,1,0]=2 591 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,0,0,0,0,0|0,1,0]=2 592 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,0,0,0,0,0|0,0,0]=1 593 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,0,0,0,0,0|0,0,0]=1 594 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,0,0,0,0,0|0,0,0]=1 595 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,0,0,0,0,0|0,0,0]=1 596 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [1,0,0,0,0,0|3,0,0]=4 597 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [1,0,0,0,0,0|3,0,0]=4 598 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,0,0,0,0,0|1,1,1]=4 602 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [1,0,0,0,0,0|1,0,1]=3 603 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,0,0,0,0,0|2,0,0]=3 604 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,0,0,0,0,0|2,0,0]=3 605 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,0,0,0,0,0|1,1,0]=3 606 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,0,0,0,0,0|2,0,0]=3 607 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,0,0,0,0,0|1,1,0]=3 608 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,0,0,0,0,0|2,0,0]=3 609 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,0,0,0,0,0|2,0,0]=3 610 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,0,0,0,0,0|2,0,0]=3 611 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,0,0,0,0,0|1,1,0]=3 612 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,0,0,0,0,0|1,1,0]=3 613 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,0,0,0,0,0|1,1,0]=3 614 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,0,0,0,0,0|2,0,0]=3 615 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,0,0,0,0,0|1,1,0]=3 616 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,0,0,0,0,0|1,1,0]=3 617 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,0,0,0,0,0|1,1,0]=3 618 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,0,0,0,0,0|1,1,0]=3 619 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,0,0,0,0,0|2,0,0]=3 620 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [1,0,0,0,0,0|1,0,2]=4 621 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,0,0,0,0,0|1,1,1]=4 622 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,0,0,0,0,0|0,0,2]=3 623 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,0,0,0,0,0|1,0,0]=2 624 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,0,0,0,0,0|2,0,0]=3 625 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,0,0,0,0,0|1,1,0]=3 626 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,0,0,0,0,0|1,0,0]=2 627 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,0,0,0,0,0|0,1,0]=2 628 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|2,0,1]=4 629 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|2,0,1]=4 630 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|2,0,1]=4 631 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|1,0,1]=3 632 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|1,0,2]=4 633 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,2]=4 634 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 635 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|3,0,0]=4 636 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|2,1,0]=4 637 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|3,0,0]=4 638 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|2,1,0]=4 639 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|1,0,2]=4 640 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,1]=3 644 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|2,0,1]=4 645 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|1,0,2]=4 646 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 647 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,1,1]=4 648 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 649 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 650 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|1,1,0]=3 651 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|3,0,0]=4 652 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|3,0,0]=4 653 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|2,1,0]=4 654 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|2,0,0]=3 655 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|3,0,0]=4 656 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|3,0,0]=4 657 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|3,0,0]=4 658 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|3,0,0]=4 659 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|2,1,0]=4 660 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|3,0,0]=4 661 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|3,0,0]=4 662 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|3,0,0]=4 663 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|3,0,0]=4 664 B6R0.4 CC(C)CCCS MCULE-8417191578 [1,0,0,0,0,0|2,0,1]=4 665 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 666 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 667 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|2,0,1]=4 668 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|1,1,1]=4 669 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|1,0,2]=4 670 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,2]=4 671 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|1,0,2]=4 672 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|1,0,2]=4 673 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|2,0,1]=4 674 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|3,0,0]=4 675 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|3,0,0]=4 676 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|2,0,0]=3 677 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|2,0,0]=3 678 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|2,0,0]=3 679 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|2,0,0]=3 680 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|1,0,0]=2 681 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|1,0,1]=3 682 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|2,1,0]=4 683 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|2,0,1]=4 684 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|2,0,1]=4 685 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|2,0,1]=4 686 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|2,0,1]=4 687 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|2,0,1]=4 688 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|2,0,1]=4 689 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|2,0,1]=4 690 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|2,0,1]=4 691 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|3,0,0]=4 692 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|3,0,0]=4 693 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|3,0,0]=4 694 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|3,0,0]=4 695 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|3,0,0]=4 696 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|3,0,0]=4 697 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|3,0,0]=4 698 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|3,0,0]=4 699 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|3,0,0]=4 700 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|3,0,0]=4 701 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|3,0,0]=4 702 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|3,0,0]=4 703 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|2,0,0]=3 704 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|2,0,0]=3 705 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|3,0,0]=4 706 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|3,0,0]=4 707 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|2,0,0]=3 708 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|3,0,0]=4 709 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|2,0,0]=3 710 B6R0.4 CN(C)CCCS MCULE-7945161812 [1,0,0,0,0,0|3,0,0]=4 711 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|3,0,0]=4 712 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|3,0,0]=4 713 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|2,0,0]=3 714 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|2,0,0]=3 715 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|3,0,0]=4 716 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|3,0,0]=4 717 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|3,0,0]=4 718 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|2,0,0]=3 719 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|3,0,0]=4 720 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|3,0,0]=4 721 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|3,0,0]=4 722 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|3,0,0]=4 723 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|3,0,0]=4 724 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|2,0,0]=3 725 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|3,0,0]=4 726 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|1,1,1]=4 727 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,1]=3 728 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 729 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|3,0,0]=4 730 B6R0.4 N=C(N)NCCS MCULE-1108122235 [1,0,0,0,0,0|3,0,0]=4 731 B6R0.4 N=C(N)NCCS MCULE-1842583721 [1,0,0,0,0,0|3,0,0]=4 732 B6R0.4 N=C(N)NCCS MCULE-4497722042 [1,0,0,0,0,0|3,0,0]=4 733 B6R0.4 N=C(N)NCCS MCULE-6123443321 [1,0,0,0,0,0|3,0,0]=4 734 B6R0.4 NC(=NCCS)N MCULE-4111802244 [1,0,0,0,0,0|3,0,0]=4 735 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 736 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|1,1,0]=3 737 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 738 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 739 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|2,1,0]=4 740 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|3,0,0]=4 741 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,1,0]=4 742 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|1,2,0]=4 743 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|1,0,2]=4 744 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|1,0,2]=4 745 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|1,0,2]=4 746 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|1,0,2]=4 747 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,0]=3 748 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,0]=3 749 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,0]=3 750 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,0]=3 751 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,0]=2 752 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,0]=2 753 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|3,0,0]=4 754 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|3,0,0]=4 755 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|3,0,0]=4 756 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|3,0,0]=4 757 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|3,0,0]=4 758 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 759 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 760 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 761 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 762 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|3,0,0]=4 763 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|3,0,0]=4 764 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|3,0,0]=4 765 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,2]=4 766 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,2]=4 767 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|0,1,2]=4 768 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,0,0,0,0,0|1,0,2]=4 769 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,0,0,0,0,0|1,0,2]=4 770 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|0,1,2]=4 771 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,2]=4 772 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,2]=4 773 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|0,1,2]=4 774 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,0]=2 775 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,0]=2 776 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,0]=2 777 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,0]=2 778 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|0,0,0]=1 779 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|1,1,0]=3 780 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,1]=3 781 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|1,1,1]=4 782 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|0,1,1]=3 783 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|1,1,1]=4 784 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|2,0,1]=4 785 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|2,0,1]=4 786 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|1,1,1]=4 787 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,1,0,0,0,0|2,1,0]=4 789 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,1,0,0,0,0|2,1,0]=4 790 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,1,0,0,0,0|2,0,0]=3 793 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,1,0,0,0,0|2,0,0]=3 795 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,1,0,0,0,0|2,0,0]=3 796 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,1,0,0,0,0|2,0,0]=3 797 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,1,0,0,0,0|1,0,0]=2 798 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,1,0,0,0,0|3,0,0]=4 799 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,1,0,0,0,0|2,0,0]=3 800 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,0|2,0,0]=3 801 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,0|1,0,0]=2 802 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,0|1,0,0]=2 803 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,1,0,0,0,0|1,0,0]=2 806 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,1,0,0,0,0|1,0,0]=2 807 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,1,0,0,0,0|2,0,0]=3 808 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,1,0,0,0,0|1,0,0]=2 809 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,1,0,0,0,0|1,0,0]=2 810 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,0|1,0,0]=2 811 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,0|1,0,0]=2 812 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,0|1,0,0]=2 813 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,0|1,0,0]=2 814 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,1,0,0,0,0|1,0,0]=2 815 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,1,0,0,0,0|1,0,0]=2 816 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,1,0,0,0,0|1,0,0]=2 817 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,1,0,0,0,0|2,0,0]=3 818 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,1,0,0,0,0|2,0,0]=3 819 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,1,0,0,0,0|2,0,0]=3 820 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,1,0,0,0,0|2,0,0]=3 821 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,1,0,0,0,0|1,0,0]=2 823 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,1,0,0,0,0|1,0,0]=2 824 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,1,0,0,0,0|2,0,0]=3 825 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,1,0,0,0,0|2,0,0]=3 826 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,1,0,0,0,0|2,0,0]=3 827 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,0|1,0,0]=2 828 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,0|1,0,0]=2 829 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,0|1,0,0]=2 830 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,0|1,0,0]=2 831 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,1,0,0,0,0|2,0,0]=3 838 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,1,0,0,0,0|2,0,0]=3 839 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,1,0,0,0,0|2,0,0]=3 840 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,1,0,0,0,0|2,0,0]=3 842 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,1,0,0,0,0|2,0,0]=3 844 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,1,0,0,0,0|2,0,0]=3 845 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,1,0,0,0,0|2,0,0]=3 846 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,0|1,1,0]=3 848 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,0|1,1,0]=3 849 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,0|1,1,0]=3 850 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,1,0,0,0,0|1,1,1]=4 851 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,1,0,0,0,0|1,1,1]=4 852 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,1,0,0,0,0|1,1,1]=4 853 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,1,0,0,0,0|2,0,0]=3 855 B8R0.3 C#CCC(C)C(=O)OC MCULE-6858702149 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.3 C#CCC(N)C(=O)OC MCULE-2178950640 [0,1,0,0,0,0|1,0,1]=3 857 B8R0.3 C#CCC(N)C(=O)OC MCULE-6758978147 [0,1,0,0,0,0|1,0,1]=3 858 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-1974908886 [0,1,0,0,0,0|1,0,1]=3 859 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-4511622416 [0,1,0,0,0,0|1,0,1]=3 860 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-1519824425 [0,1,0,0,0,0|1,0,1]=3 861 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-2744971317 [0,1,0,0,0,0|1,0,1]=3 862 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-4813964115 [0,1,0,0,0,0|1,0,1]=3 863 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-6433911913 [0,1,0,0,0,0|1,0,1]=3 864 B8R0.3 C=CCC(Cl)C(=O)OC MCULE-6530091518 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [0,1,0,0,0,0|1,0,1]=3 866 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [0,1,0,0,0,0|1,0,1]=3 867 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [0,1,0,0,0,0|1,0,1]=3 868 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [0,1,0,0,0,0|1,0,1]=3 869 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [0,1,0,0,0,0|1,0,1]=3 870 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [0,1,0,0,0,0|1,0,1]=3 871 B8R0.3 C=CC[C@@H](O)C(=O)OC MCULE-5528424936 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [0,1,0,0,0,0|1,0,1]=3 873 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [0,1,0,0,0,0|1,0,1]=3 874 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [0,1,0,0,0,0|1,0,1]=3 875 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [0,1,0,0,0,0|1,0,1]=3 876 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.3 CCCC(Br)C(=O)OC MCULE-2779995445 [0,1,0,0,0,0|2,0,0]=3 878 B8R0.3 CCCC(C)C(=O)CC MCULE-9990200653 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.3 CCCC(C)C(=O)OC MCULE-6953134216 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.3 CCCC(N)C(=O)NC MCULE-3980097421 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [0,1,0,0,0,0|1,0,0]=2 882 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [0,1,0,0,0,0|1,0,0]=2 883 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [0,1,0,0,0,0|1,0,0]=2 884 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [0,1,0,0,0,0|1,0,0]=2 886 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [0,1,0,0,0,0|1,0,0]=2 887 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [0,1,0,0,0,0|1,0,0]=2 888 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [0,1,0,0,0,0|1,0,0]=2 889 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [0,1,0,0,0,0|1,0,0]=2 890 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [0,1,0,0,0,0|1,0,0]=2 891 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [0,1,0,0,0,0|1,0,0]=2 892 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [0,1,0,0,0,0|1,0,0]=2 893 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [0,1,0,0,0,0|1,0,0]=2 894 B8R0.3 CCNC(C)C(=O)OC MCULE-3289750233 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.3 CCNC(C)C(=O)OC MCULE-6862987622 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.3 CCN[C@@H](C)C(=O)OC MCULE-5663920756 [0,1,0,0,0,0|3,0,0]=4 897 B8R0.3 CNCC(Br)C(=O)OC MCULE-2818400613 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.3 CNCC(Br)C(=O)OC MCULE-5823314810 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.3 CNCC(C)C(=O)OC MCULE-5525958870 [0,1,0,0,0,0|3,0,0]=4 900 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.3 COC(=O)C(Br)CCBr MCULE-4290973865 [0,1,0,0,0,0|2,0,0]=3 903 B8R0.3 COC(=O)C(C)CCBr MCULE-7970722391 [0,1,0,0,0,0|2,0,0]=3 904 B8R0.3 COC(=O)C(C)CCCl MCULE-3423199485 [0,1,0,0,0,0|2,0,0]=3 905 B8R0.3 COC(=O)C(C)CCN MCULE-4788413403 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.3 COC(=O)C(C)CCN MCULE-6075427964 [0,1,0,0,0,0|2,0,0]=3 907 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [0,1,0,0,0,0|1,0,0]=2 908 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [0,1,0,0,0,0|1,0,0]=2 909 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [0,1,0,0,0,0|1,0,0]=2 910 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [0,1,0,0,0,0|1,0,0]=2 911 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [0,1,0,0,0,0|0,0,0]=1 912 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,1,0,0,0,0|2,0,0]=3 913 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,1,0,0,0,0|2,0,0]=3 914 B8R0.3 COC(=O)C(O)CCN MCULE-7139144229 [0,1,0,0,0,0|2,0,0]=3 915 B8R0.3 COC(=O)N(C)CCN MCULE-5241430588 [0,1,0,0,0,0|3,0,0]=4 916 B8R0.3 COC(=O)N(C)CCN MCULE-6970201742 [0,1,0,0,0,0|3,0,0]=4 917 B8R0.3 COC(=O)N(C)CCO MCULE-3282195016 [0,1,0,0,0,0|2,1,0]=4 918 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [0,1,0,0,0,0|1,0,0]=2 919 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [0,1,0,0,0,0|1,0,0]=2 920 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [0,1,0,0,0,0|1,0,0]=2 921 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [0,1,0,0,0,0|1,0,0]=2 922 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [0,1,0,0,0,0|1,0,0]=2 923 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [0,1,0,0,0,0|1,0,0]=2 924 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [0,1,0,0,0,0|0,0,0]=1 925 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,1,0,0,0,0|2,0,0]=3 926 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,1,0,0,0,0|2,0,0]=3 927 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,1,0,0,0,0|2,0,0]=3 928 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,1,0,0,0,0|2,0,0]=3 929 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-1204029497 [0,1,0,0,0,0|2,0,0]=3 930 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-2464186416 [0,1,0,0,0,0|2,0,0]=3 931 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-4887582087 [0,1,0,0,0,0|2,0,0]=3 932 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-8785450046 [0,1,0,0,0,0|2,0,0]=3 933 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [0,1,0,0,0,0|1,0,0]=2 934 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [0,1,0,0,0,0|1,0,0]=2 935 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,1,0,0,0,0|0,1,0]=2 936 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,1,0,0,0,0|0,1,0]=2 937 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [0,1,0,0,0,0|0,0,0]=1 938 B8R0.3 COCC(Br)C(=O)OC MCULE-5792855565 [0,1,0,0,0,0|3,0,0]=4 939 B8R0.3 COCC(C)C(=O)OC MCULE-4110856609 [0,1,0,0,0,0|3,0,0]=4 940 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [0,1,0,0,0,0|2,0,0]=3 941 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [0,1,0,0,0,0|2,0,0]=3 942 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [0,1,0,0,0,0|2,0,0]=3 943 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [0,1,0,0,0,0|2,0,0]=3 944 B8R0.3 COCC(O)C(=O)OC MCULE-6071304250 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [0,1,0,0,0,0|2,0,0]=3 946 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [0,1,0,0,0,0|2,0,0]=3 947 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [0,1,0,0,0,0|2,0,0]=3 948 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [0,1,0,0,0,0|2,0,0]=3 949 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,1,0,0,0,0|1,0,0]=2 950 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,1,0,0,0,0|2,0,0]=3 951 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,1,0,0,0,0|1,0,0]=2 952 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,1,0,0,0,0|1,0,0]=2 953 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,1,0,0,0,0|1,0,0]=2 954 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,1,0,0,0,0|1,0,0]=2 955 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,1,0,0,0,0|1,0,0]=2 956 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,1,0,0,0,0|1,0,0]=2 957 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,1,0,0,0,0|2,0,0]=3 959 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,1,0,0,0,0|2,0,0]=3 960 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,1,0,0,0,0|2,0,0]=3 964 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,1,0,0,0,0|2,0,0]=3 965 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,1,0,0,0,0|1,0,0]=2 966 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,1,0,0,0,0|1,0,0]=2 967 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,1,0,0,0,0|1,0,0]=2 968 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,1,0,0,0,0|1,0,0]=2 969 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,1,0,0,0,0|1,0,0]=2 970 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,1,0,0,0,0|1,0,0]=2 971 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,1,0,0,0,0|1,0,0]=2 972 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,1,0,0,0,0|1,0,0]=2 973 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,1,0,0,0,0|2,0,1]=4 975 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,1,0,0,0,0|1,0,1]=3 976 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,1,0,0,0,0|1,0,1]=3 977 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,1,0,0,0,0|1,0,1]=3 978 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,1,0,0,0,0|1,0,1]=3 979 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,1,0,0,0,0|1,0,1]=3 980 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [0,1,0,0,0,0|3,0,0]=4 981 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,1,0,0,0,0|2,0,0]=3 983 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,1,0,0,0,0|2,0,0]=3 984 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,1,0,0,0,0|1,1,0]=3 985 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,1,0,0,0,0|3,0,0]=4 989 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,1,0,0,0,0|2,0,0]=3 990 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,1,0,0,0,0|3,0,0]=4 991 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,1,0,0,0,0|3,0,0]=4 993 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,1,0,0,0,0|2,0,0]=3 994 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,1,0,0,0,0|2,0,0]=3 995 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,1,0,0,0,0|2,0,0]=3 996 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,1,0,0,0,0|2,0,0]=3 997 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,1,0,0,0,0|1,0,0]=2 998 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,1,0,0,0,0|2,0,1]=4 999 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,1,0,0,0,0|2,0,1]=4 1000 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,1,0,0,0,0|3,0,0]=4 1001 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,1,0,0,0,0|2,0,0]=3 1002 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,1,0,0,0,0|2,0,0]=3 1003 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,1,0,0,0,0|1,0,0]=2 1004 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,1,0,0,0,0|1,0,0]=2 1005 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,1,0,0,0,0|2,0,0]=3 1006 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,1,0,0,0,0|2,0,0]=3 1007 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,1,0,0,0,0|2,0,0]=3 1008 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,1,0,0,0,0|2,0,0]=3 1009 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,1,0,0,0,0|2,0,0]=3 1010 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,1,0,0,0,0|2,0,0]=3 1011 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,1,0,0,0,0|1,0,0]=2 1012 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,1,0,0,0,0|1,0,0]=2 1013 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,1,0,0,0,0|2,0,1]=4 1014 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,1,0,0,0,0|2,0,0]=3 1015 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,1,0,0,0,0|2,0,0]=3 1017 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,1,0,0,0,0|2,0,0]=3 1018 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,1,0,0,0,0|1,0,0]=2 1019 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,1,0,0,0,0|1,0,0]=2 1020 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,1,0,0,0,0|1,0,0]=2 1021 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,1,0,0,0,0|1,0,0]=2 1022 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,1,0,0,0,0|1,0,0]=2 1023 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,1,0,0,0,0|1,1,0]=3 1024 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,1,0,0,0,0|1,1,0]=3 1025 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,1,0,0,0,0|1,1,0]=3 1026 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,1,0,0,0,0|0,1,0]=2 1027 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,1,0,0,0,0|0,1,0]=2 1028 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,1,0,0,0,0|0,1,0]=2 1029 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,1,0,0,0,0|1,0,1]=3 1030 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,1,0,0,0,0|1,0,2]=4 1031 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,1,0,0,0,0|1,0,0]=2 1032 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,1,0,0,0,0|1,0,0]=2 1033 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,1,0,0,0,0|1,0,0]=2 1034 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,1,0,0,0,0|1,0,0]=2 1035 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,1,0,0,0,0|0,0,0]=1 1036 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,1,0,0,0,0|1,0,0]=2 1038 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,1,0,0,0,0|0,0,0]=1 1039 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,1,0,0,0,0|0,0,0]=1 1040 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,1,0,0,0,0|0,0,1]=2 1041 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,1,0,0,0,0|0,0,1]=2 1042 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,1,0,0,0,0|1,0,0]=2 1043 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,1,0,0,0,0|1,0,0]=2 1044 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,1,0,0,0,0|1,0,0]=2 1045 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,1,0,0,0,0|1,0,0]=2 1046 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,1,0,0,0,0|0,0,0]=1 1047 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,1,0,0,0,0|0,0,0]=1 1048 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,1,0,0,0,0|0,0,0]=1 1049 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,1,0,0,0,0|0,1,0]=2 1050 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,1,0,0,0,0|0,1,0]=2 1051 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,1,0,0,0,0|0,1,0]=2 1052 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,1,0,0,0,0|0,1,0]=2 1053 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,1,0,0,0,0|1,0,0]=2 1054 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,1,0,0,0,0|1,0,0]=2 1057 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,1,0,0,0,0|1,0,0]=2 1058 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,1,0,0,0,0|1,0,0]=2 1059 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,1,0,0,0,0|1,0,0]=2 1060 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,1,0,0,0,0|1,0,0]=2 1061 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,1,0,0,0,0|1,0,0]=2 1062 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,1,0,0,0,0|1,0,0]=2 1063 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,1,0,0,0,0|1,0,0]=2 1064 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,1,0,0,0,0|1,0,0]=2 1065 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,1,0,0,0,0|1,0,0]=2 1066 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,1,0,0,0,0|1,0,0]=2 1067 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,1,0,0,0,0|1,0,0]=2 1068 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,1,0,0,0,0|1,0,0]=2 1069 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,1,0,0,0,0|0,1,0]=2 1070 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,1,0,0,0,0|0,1,0]=2 1071 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,1,0,0,0,0|0,1,0]=2 1072 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,1,0,0,0,0|0,1,0]=2 1073 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,1,0,0,0,0|0,1,0]=2 1074 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,1,0,0,0,0|0,1,0]=2 1075 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,1,0,0,0,0|1,1,0]=3 1076 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,1,0,0,0,0|1,1,1]=4 1077 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,1,0,0,0,0|1,0,0]=2 1078 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,1,0,0,0,0|0,1,0]=2 1079 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,1,0,0,0,0|2,0,0]=3 1080 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,1,0,0,0,0|2,0,0]=3 1081 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,1,0,0,0,0|2,0,0]=3 1082 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,1,0,0,0,0|2,0,0]=3 1083 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,1,0,0,0,0|2,0,0]=3 1084 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,1,0,0,0,0|2,0,0]=3 1085 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,1,0,0,0,0|2,0,0]=3 1086 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.12 C#CCC(C)(C)C(=O)O MCULE-9823304703 [0,1,0,0,0,0|2,0,1]=4 1088 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,1,0,0,0,0|1,0,1]=3 1089 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,1,0,0,0,0|1,0,1]=3 1090 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,1,0,0,0,0|1,0,1]=3 1091 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,1,0,0,0,0|1,0,1]=3 1092 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,1,0,0,0,0|1,0,1]=3 1093 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,1,0,0,0,0|1,0,1]=3 1094 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,1,0,0,0,0|1,0,1]=3 1095 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,1,0,0,0,0|2,0,1]=4 1096 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,1,0,0,0,0|1,0,1]=3 1097 B8R0.12 C=CCC(F)(F)C(=O)O MCULE-5503944687 [0,1,0,0,0,0|2,0,1]=4 1098 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,1,0,0,0,0|1,0,1]=3 1099 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,1,0,0,0,0|1,0,1]=3 1100 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,1,0,0,0,0|1,0,1]=3 1101 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,1,0,0,0,0|1,0,1]=3 1102 B8R0.12 CC(C)(CC#N)C(=O)O MCULE-5490055179 [0,1,0,0,0,0|2,0,1]=4 1103 B8R0.12 CC(C)(CCCl)C(=O)Cl MCULE-2654588224 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [0,1,0,0,0,0|2,0,0]=3 1105 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [0,1,0,0,0,0|2,0,0]=3 1106 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [0,1,0,0,0,0|1,1,0]=3 1107 B8R0.12 CC(C)(CCO)C(=O)[O-] MCULE-5034791567 [0,1,0,0,0,0|1,1,1]=4 1108 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,1,0,0,0,0|1,0,0]=2 1109 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,1,0,0,0,0|1,0,0]=2 1110 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,1,0,0,0,0|2,0,0]=3 1113 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,1,0,0,0,0|1,0,0]=2 1114 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,1,0,0,0,0|3,0,0]=4 1115 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,1,0,0,0,0|2,0,0]=3 1116 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,1,0,0,0,0|1,0,0]=2 1118 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,1,0,0,0,0|3,0,0]=4 1119 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,1,0,0,0,0|3,0,0]=4 1120 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,1,0,0,0,0|3,0,0]=4 1121 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [0,1,0,0,0,0|3,0,0]=4 1122 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [0,1,0,0,0,0|3,0,0]=4 1123 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [0,1,0,0,0,0|3,0,0]=4 1124 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [0,1,0,0,0,0|3,0,0]=4 1125 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [0,1,0,0,0,0|3,0,0]=4 1128 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [0,1,0,0,0,0|3,0,0]=4 1129 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [0,1,0,0,0,0|3,0,0]=4 1130 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,1,0,0,0,0|3,0,0]=4 1131 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [0,1,0,0,0,0|2,0,0]=3 1132 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [0,1,0,0,0,0|2,0,1]=4 1134 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,1,0,0,0,0|2,0,0]=3 1135 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,1,0,0,0,0|2,0,0]=3 1136 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [0,1,0,0,0,0|1,0,1]=3 1137 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [0,1,0,0,0,0|3,0,0]=4 1138 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,1,0,0,0,0|2,0,0]=3 1139 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [0,1,0,0,0,0|2,0,0]=3 1140 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,1,0,0,0,0|1,0,0]=2 1141 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,1,0,0,0,0|1,0,0]=2 1142 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,1,0,0,0,0|1,0,0]=2 1143 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [0,1,0,0,0,0|1,0,0]=2 1144 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [0,1,0,0,0,0|2,0,0]=3 1145 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,1,0,0,0,0|1,0,0]=2 1146 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,1,0,0,0,0|1,0,0]=2 1147 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [0,1,0,0,0,0|2,0,0]=3 1148 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [0,1,0,0,0,0|2,0,0]=3 1149 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,1,0,0,0,0|1,0,0]=2 1150 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,1,0,0,0,0|1,0,0]=2 1151 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,1,0,0,0,0|1,0,0]=2 1152 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [0,1,0,0,0,0|1,0,0]=2 1153 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [0,1,0,0,0,0|3,0,0]=4 1154 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.15 CNC(CCN)C(=O)N MCULE-4176706453 [0,1,0,0,0,0|2,0,0]=3 1156 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [0,1,0,0,0,0|1,0,0]=2 1157 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,1,0,0,0,0|2,0,0]=3 1159 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,1,0,0,0,0|0,1,0]=2 1161 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,1,0,0,0,0|0,1,0]=2 1162 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [0,1,0,0,0,0|3,0,0]=4 1163 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [0,1,0,0,0,0|3,0,0]=4 1164 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,1,0,0,0,0|0,1,0]=2 1165 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,1,0,0,0,0|0,1,0]=2 1166 B8R0.15 COC(CCN)C(=O)N MCULE-4310174639 [0,1,0,0,0,0|3,0,0]=4 1167 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [0,1,0,0,0,0|2,0,0]=3 1168 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [0,1,0,0,0,0|3,0,0]=4 1169 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [0,1,0,0,0,0|2,0,0]=3 1170 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [0,1,0,0,0,0|2,0,0]=3 1171 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,0|1,0,0]=2 1172 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,0|1,1,0]=3 1173 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,0|1,0,1]=3 1174 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,0|1,0,1]=3 1175 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,0|1,0,1]=3 1176 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,0|1,0,1]=3 1177 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,0|1,0,1]=3 1178 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,0|1,0,1]=3 1180 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,0|1,0,1]=3 1181 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,0|2,0,1]=4 1182 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,0|1,0,1]=3 1183 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,0|1,0,1]=3 1184 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,1,0,0,0,0|2,0,1]=4 1185 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,0|1,0,1]=3 1186 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,0|1,0,1]=3 1187 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,1,0,0,0,0|3,0,0]=4 1188 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|1,1,1]=4 1189 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,1,0,0,0,0|2,0,0]=3 1190 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|1,1,1]=4 1191 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|0,1,1]=3 1192 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|0,1,1]=3 1193 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|1,1,1]=4 1194 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,0,0,0,0|2,0,1]=4 1195 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,0|2,0,0]=3 1196 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,0|2,0,0]=3 1197 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,0|2,0,0]=3 1198 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,0|2,0,0]=3 1199 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,0|2,0,0]=3 1200 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,1,0,0,0,0|2,0,0]=3 1201 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,1,0,0,0,0|2,0,0]=3 1202 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,0|1,0,0]=2 1203 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,0|1,0,0]=2 1204 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,0|2,0,0]=3 1205 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,0|2,0,0]=3 1206 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,0|2,0,0]=3 1207 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,0|2,0,0]=3 1208 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,1,0,0,0,0|2,0,0]=3 1209 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,0|1,0,0]=2 1210 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,0|1,0,0]=2 1211 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,0|2,0,0]=3 1212 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,0|2,0,0]=3 1213 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,0|2,0,0]=3 1214 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,0|2,0,0]=3 1215 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,0|2,0,0]=3 1216 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,0|2,0,0]=3 1217 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,1,0,0,0,0|2,0,0]=3 1218 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,1,0,0,0,0|2,0,0]=3 1219 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,1,0,0,0,0|2,0,0]=3 1221 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,0|1,0,0]=2 1222 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,0|1,0,0]=2 1223 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,0|1,0,0]=2 1224 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,0|2,0,0]=3 1225 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,0|2,0,0]=3 1226 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,0|3,0,0]=4 1227 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,0|3,0,0]=4 1228 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,0|3,0,0]=4 1229 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,0|3,0,0]=4 1230 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|1,1,1]=4 1231 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|1,1,1]=4 1232 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|1,1,1]=4 1233 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,1,0,0,0,0|2,0,0]=3 1234 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,0|3,0,0]=4 1235 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,0|3,0,0]=4 1236 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,0|2,1,0]=4 1237 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,0|2,0,0]=3 1238 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,0|2,0,0]=3 1239 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,0|3,0,0]=4 1240 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,0|2,0,0]=3 1241 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,0|2,0,0]=3 1242 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,0|2,0,0]=3 1243 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,0|2,0,0]=3 1244 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,0|2,0,0]=3 1245 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,0|3,0,0]=4 1246 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,0|1,1,0]=3 1247 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,0|1,1,0]=3 1248 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,0|1,1,0]=3 1249 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|1,1,1]=4 1250 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|1,1,1]=4 1251 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|1,1,1]=4 1252 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|1,1,1]=4 1253 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,0|1,0,0]=2 1254 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,0|1,0,0]=2 1255 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,0|1,1,0]=3 1256 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|1,1,1]=4 1257 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|1,1,1]=4 1258 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|0,1,1]=3 1259 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|1,1,1]=4 1260 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|0,1,1]=3 1261 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|0,1,1]=3 1262 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|1,1,1]=4 1263 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|1,1,1]=4 1264 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|1,1,1]=4 1265 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|1,1,1]=4 1266 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|0,1,1]=3 1267 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|0,1,1]=3 1268 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|1,1,1]=4 1269 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|1,1,1]=4 1270 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|1,1,1]=4 1271 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|1,1,1]=4 1272 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|1,1,1]=4 1273 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|1,1,1]=4 1274 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|0,1,1]=3 1275 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|0,1,1]=3 1276 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|0,1,2]=4 1277 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|0,1,2]=4 1278 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|0,1,1]=3 1279 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,0|0,1,2]=4 1280 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,0|0,1,2]=4 1281 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,1,0,0,0,0|1,0,0]=2 1282 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,1,0,0,0,0|1,0,0]=2 1283 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|0,1,1]=3 1284 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|0,1,1]=3 1285 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|0,1,2]=4 1286 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|0,1,1]=3 1287 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,0|0,1,2]=4 1288 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,0|0,1,2]=4 1289 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,0|0,1,2]=4 1290 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,0|0,1,2]=4 1291 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,0|0,1,2]=4 1292 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,1,0,0,0,0|1,0,0]=2 1293 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,1,0,0,0,0|1,0,0]=2 1294 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,1,0,0,0,0|1,0,0]=2 1295 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,1,0,0,0,0|1,0,0]=2 1296 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|1,1,0]=3 1297 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|1,1,0]=3 1298 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|0,1,1]=3 1299 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,1,0,0,0,0|1,0,0]=2 1300 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,1,0,0,0,0|1,0,0]=2 1301 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|1,1,1]=4 1302 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|1,1,1]=4 1303 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|1,1,1]=4 1304 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|1,1,1]=4 1305 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|1,1,1]=4 1306 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|1,1,1]=4 1307 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|1,1,1]=4 1308 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|1,1,1]=4 1309 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|1,1,1]=4 1310 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|1,1,1]=4 1311 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|1,1,1]=4 1312 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|1,1,1]=4 1313 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|1,1,1]=4 1314 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|1,1,1]=4 1315 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|1,1,1]=4 1316 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|1,1,1]=4 1317 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|1,1,1]=4 1318 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|0,1,1]=3 1319 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,1,0,0,0,0|2,0,0]=3 1320 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,1,0,0,0,0|2,0,0]=3 1321 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,1,0,0,0,0|2,0,0]=3 1322 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,0|1,1,0]=3 1323 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,0|1,1,1]=4 1324 B8R1.5 C=C1COCCC1N MCULE-4966385224 [0,0,0,1,0,0|2,1,0]=4 1325 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,0,0,1,0,0|3,0,0]=4 1326 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,0,0,1,0,0|3,0,0]=4 1327 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,0,0,1,0,0|2,0,0]=3 1328 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,0,0,1,0,0|3,0,0]=4 1329 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,0,0,1,0,0|3,0,0]=4 1330 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,0,0,1,0,0|2,1,0]=4 1331 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,0,0,1,0,0|2,0,0]=3 1332 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,0,0,1,0,0|2,0,0]=3 1333 B8R1.5 NC1CCCCC1O MCULE-1427424523 [0,0,0,1,0,0|2,0,1]=4 1334 B8R1.5 NC1CCCCC1O MCULE-2793336591 [0,0,0,1,0,0|2,0,1]=4 1335 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,0,0,1,0,0|2,0,0]=3 1336 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,0,0,1,0,0|2,0,0]=3 1337 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,0,0,1,0,0|2,0,0]=3 1338 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,0,0,1,0,0|2,0,0]=3 1339 B8R1.5 NC1CCNCC1O MCULE-2705091841 [0,0,0,1,0,0|2,0,1]=4 1340 B8R1.5 NC1CCOCC1O MCULE-2815184899 [0,0,0,1,0,0|1,1,1]=4 1341 B8R1.5 NC1CCOCC1O MCULE-4548392204 [0,0,0,1,0,0|1,1,1]=4 1342 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,0,0,1,0,0|3,0,0]=4 1343 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,0,0,1,0,0|3,0,0]=4 1344 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,0,0,1,0,0|3,0,0]=4 1345 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,0,0,1,0,0|3,0,0]=4 1346 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,0,0,1,0,0|3,0,0]=4 1347 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,0,0,1,0,0|2,0,0]=3 1348 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [0,0,0,1,0,0|2,0,1]=4 1349 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [0,0,0,1,0,0|2,0,1]=4 1350 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [0,0,0,1,0,0|2,0,1]=4 1351 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [0,0,0,1,0,0|2,0,1]=4 1352 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [0,0,0,1,0,0|2,0,1]=4 1353 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [0,0,0,1,0,0|2,0,1]=4 1354 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [0,0,0,1,0,0|2,0,1]=4 1355 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [0,0,0,1,0,0|2,0,1]=4 1356 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [0,0,0,1,0,0|2,0,1]=4 1357 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [0,0,0,1,0,0|2,0,1]=4 1358 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,0,0,1,0,0|2,0,0]=3 1359 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,0,0,1,0,0|2,0,0]=3 1360 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,0,0,1,0,0|2,0,0]=3 1361 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,0,0,1,0,0|2,0,0]=3 1362 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [0,0,0,1,0,0|2,0,1]=4 1363 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [0,0,0,1,0,0|2,0,1]=4 1364 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [0,0,0,1,0,0|1,1,1]=4 1365 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [0,0,0,1,0,0|1,1,1]=4 1366 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [0,0,0,1,0,0|1,1,1]=4 1367 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [0,0,0,1,0,0|1,1,1]=4 1368 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [0,0,0,1,0,0|1,1,1]=4 1369 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [0,0,0,1,0,0|1,1,1]=4 1370 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [0,0,0,1,0,0|1,1,1]=4 1371 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [0,0,0,1,0,0|1,1,1]=4 1372 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [0,0,0,1,0,0|2,0,1]=4 1373 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [0,0,0,1,0,0|2,0,1]=4 1374 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [0,0,0,1,0,0|2,0,1]=4 1375 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [0,0,0,1,0,0|2,0,1]=4 1376 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [0,0,0,1,0,0|2,0,1]=4 1377 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [0,0,0,1,0,0|2,0,1]=4 1378 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [0,0,0,1,0,0|2,0,1]=4 1379 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [0,0,0,1,0,0|2,0,1]=4 1380 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [0,0,0,1,0,0|2,0,1]=4 1381 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [0,0,0,1,0,0|2,0,1]=4 1382 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,0,0,1,0,0|2,0,0]=3 1383 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,0,0,1,0,0|2,0,0]=3 1384 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,0,0,1,0,0|2,0,0]=3 1385 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,0,0,1,0,0|2,0,0]=3 1386 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [0,0,0,1,0,0|1,1,1]=4 1387 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [0,0,0,1,0,0|1,1,1]=4 1388 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [0,0,0,1,0,0|1,1,1]=4 1389 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [0,0,0,1,0,0|1,1,1]=4 1390 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [0,0,0,1,0,0|1,1,1]=4 1391 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [0,0,0,1,0,0|1,1,1]=4 1392 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [0,0,0,1,0,0|1,1,1]=4 1393 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [0,0,0,1,0,0|1,1,1]=4 1394 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,0,0,1,0,0|3,0,0]=4 1395 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,0,0,1,0,0|3,0,0]=4 1396 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,0,0,1,0,0|3,0,0]=4 1397 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,0,0,1,0,0|3,0,0]=4 1398 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,0,0,1,0,0|3,0,0]=4 1399 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,0,0,1,0,0|3,0,0]=4 1400 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,0,0,1,0,0|3,0,0]=4 1401 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,0,0,1,0,0|3,0,0]=4 1402 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,0,0,1,0,0|3,0,0]=4 1403 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,0,0,1,0,0|3,0,0]=4 1404 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,0,0,1,0,0|2,0,0]=3 1405 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,0,0,1,0,0|2,0,0]=3 1406 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [0,0,0,1,0,0|1,1,1]=4 1407 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [0,0,0,1,0,0|1,1,1]=4 1408 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [0,0,0,1,0,0|1,1,1]=4 1409 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [0,0,0,1,0,0|1,1,1]=4 1410 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,0,0,1,0,0|2,0,0]=3 1411 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,0,0,1,0,0|2,0,0]=3 1412 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,0,0,1,0,0|3,0,0]=4 1413 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,0,0,1,0,0|3,0,0]=4 1414 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,0,0,1,0,0|2,0,0]=3 1415 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,0,0,1,0,0|2,0,0]=3 1416 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,0,0,1,0,0|1,1,0]=3 1417 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [0,0,0,1,0,0|2,0,1]=4 1418 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,1,0,0|3,0,0]=4 1419 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,0,0,1,0,0|2,0,0]=3 1420 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,0,0,1,0,0|2,0,0]=3 1421 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,0,0,1,0,0|3,0,0]=4 1422 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,0,0,1,0,0|3,0,0]=4 1423 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,0,0,1,0,0|3,0,0]=4 1424 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,0,0,1,0,0|2,1,0]=4 1425 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,0,0,1,0,0|3,0,0]=4 1426 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,0,0,1,0,0|3,0,0]=4 1427 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,0,0,1,0,0|2,0,0]=3 1428 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,0,0,1,0,0|2,0,0]=3 1429 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,0,0,1,0,0|2,0,0]=3 1430 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,0,0,1,0,0|2,0,0]=3 1431 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,0,0,1,0,0|3,0,0]=4 1432 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,0,0,1,0,0|3,0,0]=4 1433 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,0,0,1,0,0|2,0,0]=3 1434 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,0,0,1,0,0|2,0,0]=3 1435 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,0,0,1,0,0|3,0,0]=4 1436 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5014228849 [0,0,0,1,0,0|2,0,1]=4 1437 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5063876687 [0,0,0,1,0,0|2,0,1]=4 1438 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [0,0,0,1,0,0|3,0,0]=4 1439 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [0,0,0,1,0,0|3,0,0]=4 1440 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,1,0,0|3,0,0]=4 1441 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,0,0,1,0,0|2,0,0]=3 1442 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,0,0,1,0,0|2,0,0]=3 1443 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,0,0,1,0,0|3,0,0]=4 1444 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,0,0,1,0,0|3,0,0]=4 1445 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,0,0,1,0,0|3,0,0]=4 1446 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,0,0,1,0,0|2,1,0]=4 1447 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,0,0,1,0,0|3,0,0]=4 1448 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,0,0,1,0,0|2,0,0]=3 1449 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,0,0,1,0,0|2,0,0]=3 1450 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,0,0,1,0,0|2,0,0]=3 1451 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,0,0,1,0,0|2,0,0]=3 1452 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,0,0,1,0,0|3,0,0]=4 1453 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,0,0,1,0,0|3,0,0]=4 1454 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,0,0,1,0,0|3,0,0]=4 1455 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,0,0,1,0,0|3,0,0]=4 1456 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,0,0,1,0,0|3,0,0]=4 1457 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,0,0,1,0,0|3,0,0]=4 1458 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,0,0,1,0,0|2,0,0]=3 1459 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,0,0,1,0,0|2,0,0]=3 1460 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,0,0,1,0,0|2,0,0]=3 1461 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,0,0,1,0,0|2,0,0]=3 1462 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,0,0,1,0,0|3,0,0]=4 1463 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,0,0,1,0,0|3,0,0]=4 1464 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,0,0,1,0,0|3,0,0]=4 1465 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,0,0,1,0,0|3,0,0]=4 1466 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,0,0,1,0,0|2,1,0]=4 1467 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,1,0,0|3,0,0]=4 1468 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,0,0,1,0,0|3,0,0]=4 1469 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,0,0,1,0,0|2,1,0]=4 1470 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,1,0,0|2,0,1]=4 1471 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,0,0,1,0,0|1,0,2]=4 1472 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,0,0,1,0,0|1,1,1]=4 1473 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [0,0,0,1,0,0|2,0,1]=4 1474 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,1,0,0|1,0,2]=4 1475 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,0,0,1,0,0|0,1,2]=4 1476 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,0,0,1,0,0|2,0,0]=3 1477 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,0,0,1,0,0|1,0,2]=4 1478 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,0,0,1,0,0|1,0,2]=4 1479 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,0,0,1,0,0|1,0,2]=4 1480 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,0,0,1,0,0|1,0,2]=4 1481 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,0,0,1,0,0|3,0,0]=4 1482 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [0,0,0,1,0,0|2,0,1]=4 1483 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,0,0,1,0,0|1,0,1]=3 1484 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,1,0,0|2,0,0]=3 1485 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,1,0,0|1,0,0]=2 1486 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,1,0,0|1,0,0]=2 1487 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,1,0,0|1,0,0]=2 1488 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,1,0,0|1,0,0]=2 1489 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,0,1,0,0|2,0,0]=3 1490 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,0,1,0,0|2,0,0]=3 1491 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,1,0,0|2,0,0]=3 1492 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,0,0,1,0,0|2,0,0]=3 1493 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,0,0,1,0,0|2,0,0]=3 1494 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,0,0,1,0,0|2,0,0]=3 1495 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,0,0,1,0,0|1,1,0]=3 1496 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,1,0,0|1,0,0]=2 1497 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,0,0,1,0,0|2,0,0]=3 1498 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,0,0,1,0,0|2,0,0]=3 1499 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,0,0,1,0,0|2,0,0]=3 1500 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,0,0,1,0,0|2,0,0]=3 1501 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,0,0,1,0,0|2,0,0]=3 1502 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,0,0,1,0,0|2,0,0]=3 1503 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,0,0,1,0,0|3,0,0]=4 1504 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,1,0,0|3,0,0]=4 1505 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,0,0,1,0,0|1,0,2]=4 1506 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,0,0,1,0,0|1,0,2]=4 1507 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,0,0,1,0,0|1,0,2]=4 1508 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,0,0,1,0,0|1,0,2]=4 1509 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,1,0,0|1,0,0]=2 1510 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,1,0,0|1,0,0]=2 1511 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,1,0,0|1,0,0]=2 1512 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,1,0,0|1,0,0]=2 1513 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,0,1,0,0|2,0,0]=3 1514 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,0,1,0,0|2,0,0]=3 1515 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,0,0,1,0,0|2,0,0]=3 1516 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,0,0,1,0,0|2,0,0]=3 1517 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,0,0,1,0,0|2,0,0]=3 1518 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,0,0,1,0,0|2,0,0]=3 1519 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,0,0,1,0,0|1,1,0]=3 1520 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,0,0,1,0,0|1,1,0]=3 1521 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,0,0,1,0,0|2,0,0]=3 1522 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,0,0,1,0,0|2,0,0]=3 1523 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,0,0,1,0,0|2,0,0]=3 1524 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,0,0,1,0,0|2,0,0]=3 1525 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,0,0,1,0,0|2,0,0]=3 1526 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,0,0,1,0,0|2,0,0]=3 1527 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,0,0,1,0,0|1,0,2]=4 1528 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,0,0,1,0,0|1,0,2]=4 1529 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,0,0,1,0,0|1,0,2]=4 1530 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,1,0,0|1,0,0]=2 1531 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,1,0,0|1,0,0]=2 1532 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,0,1,0,0|2,0,0]=3 1533 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,0,1,0,0|2,0,0]=3 1534 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,0,0,1,0,0|2,0,0]=3 1535 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,0,0,1,0,0|2,0,0]=3 1536 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,0,0,1,0,0|2,0,0]=3 1537 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,0,0,1,0,0|2,0,0]=3 1538 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,0,0,1,0,0|1,1,0]=3 1539 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,0,0,1,0,0|1,1,0]=3 1540 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,0,0,1,0,0|2,0,0]=3 1541 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,0,0,1,0,0|2,0,0]=3 1542 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [0,0,0,1,0,0|1,0,2]=4 1543 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,0,0,1,0,0|1,0,1]=3 1544 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,0,0,1,0,0|2,0,1]=4 1545 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,0,0,1,0,0|1,0,1]=3 1546 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,0,0,1,0,0|1,0,1]=3 1547 B8R1.7 OB(O)C1CCCN1 MCULE-5123578937 [0,0,0,1,0,0|2,0,1]=4 1548 B8R1.7 OB(O)C1CCCN1 MCULE-6072524963 [0,0,0,1,0,0|2,0,1]=4 1549 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,0,0,1,0,0|2,0,1]=4 1550 B8R1.13 CCCC1CCC1=O MCULE-7626165824 [0,0,0,1,0,0|3,0,0]=4 1551 B8R1.13 O=C1CCC1CCCl MCULE-1577834742 [0,0,0,1,0,0|3,0,0]=4 1552 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,0,0,1,0,0|2,0,1]=4 1553 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,0,0,1,0,0|1,1,1]=4 1554 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,0,0,1,0,0|2,0,0]=3 1555 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,0,0,1,0,0|1,0,0]=2 1556 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,0,0,1,0,0|1,0,0]=2 1557 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,0,0,1,0,0|2,0,1]=4 1558 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,0,0,1,0,0|2,0,1]=4 1559 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,0,0,1,0,0|1,1,1]=4 1560 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,1,0,0|1,1,1]=4 1561 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,1,0,0|1,1,1]=4 1562 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,0,0|0,1,1]=3 1563 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,0,0|0,1,1]=3 1564 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,1,0,0|1,1,1]=4 1565 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,1,0,0|1,1,1]=4 1566 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,0,0|0,1,1]=3 1567 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,0,0|0,1,1]=3 1568 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,0,0|0,1,1]=3 1569 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,0,0|0,1,1]=3 1570 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,1,0,0|1,1,1]=4 1571 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,1,0,0|1,1,1]=4 1572 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,0,0|0,1,1]=3 1573 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,0,0|0,1,1]=3 1574 B8R1.19 CC1(CCCC1N)O MCULE-3396541731 [0,0,0,1,0,0|2,0,1]=4 1575 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-4508286005 [0,0,0,1,0,0|2,0,1]=4 1576 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-9668737274 [0,0,0,1,0,0|2,0,1]=4 1577 B8R1.19 C[C@@]1(CCC[C@H]1N)O MCULE-2369187970 [0,0,0,1,0,0|2,0,1]=4 1578 B8R1.19 C[C@]1(CCC[C@@H]1N)O MCULE-2644040109 [0,0,0,1,0,0|2,0,1]=4 1579 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-2446086306 [0,0,0,1,0,0|2,0,1]=4 1580 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-8959851594 [0,0,0,1,0,0|2,0,1]=4 1581 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-9937788175 [0,0,0,1,0,0|2,0,1]=4 1582 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|0,1,1]=3 1583 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,0|2,0,1]=4 1584 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,0|2,1,0]=4 1585 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,0|2,0,0]=3 1586 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,0|1,0,0]=2 1587 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,0|3,0,0]=4 1588 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,0|1,0,0]=2 1589 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,0|2,0,0]=3 1590 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,0|2,0,0]=3 1591 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,0|1,0,0]=2 1592 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,0,0,1,0,0|3,0,0]=4 1593 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,0,0,1,0,0|3,0,0]=4 1594 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,0,0,1,0,0|2,1,0]=4 1595 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,0|2,0,0]=3 1596 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,0|2,0,0]=3 1597 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,0|2,0,0]=3 1598 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,0|2,0,0]=3 1599 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,0|2,0,0]=3 1600 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,0|2,0,0]=3 1601 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,0|2,0,0]=3 1602 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,0|2,0,0]=3 1603 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,0|2,0,0]=3 1604 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,0|1,1,0]=3 1605 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,0|2,0,0]=3 1606 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,0|2,0,0]=3 1607 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,0|1,1,0]=3 1608 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,0|2,0,0]=3 1609 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,0|2,0,0]=3 1610 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,0|1,1,0]=3 1611 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|1,1,1]=4 1612 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|0,1,1]=3 1613 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|1,1,1]=4 1614 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|0,1,1]=3 1615 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|0,1,1]=3 1616 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|0,1,1]=3 1617 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|0,1,1]=3 1618 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,0|2,0,0]=3 1619 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,0,0,1,0,0|2,0,0]=3 1620 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,0,0,1,0,0|2,0,0]=3 1621 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,0,0,1,0,0|2,0,0]=3 1622 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,0,0,1,0,0|2,0,0]=3 1623 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,0,0,1,0,0|2,0,0]=3 1624 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,0,0,1,0,0|2,0,0]=3 1625 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,0,0,1,0,0|2,0,0]=3 1626 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,0,0,1,0,0|2,0,1]=4 1627 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,0,0,1,0,0|2,0,1]=4 1628 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,0,0,1,0,0|2,0,1]=4 1629 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,0,0,1,0,0|2,0,1]=4 1630 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,0,0,1,0,0|2,0,1]=4 1631 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,0,0,1,0,0|2,0,1]=4 1632 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,0,0,1,0,0|2,0,1]=4 1633 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,0|2,0,0]=3 1634 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,0|2,0,0]=3 1635 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,0,0,1,0,0|3,0,0]=4 1636 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,0,0,1,0,0|2,0,1]=4 1637 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,0,0,1,0,0|2,0,1]=4 1638 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,0,0,1,0,0|2,0,1]=4 1639 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,0,0,1,0,0|2,0,1]=4 1640 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,0,0,1,0,0|2,0,1]=4 1641 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,0|2,1,0]=4 1642 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,0|2,0,0]=3 1643 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,0|2,0,0]=3 1644 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,0|2,0,0]=3 1645 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,0|2,0,0]=3 1646 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,0|2,0,0]=3 1647 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,0|1,1,0]=3 1648 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,0|2,0,0]=3 1649 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,0|1,1,0]=3 1650 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,0|1,1,0]=3 1651 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,0,0,1,0,0|2,0,1]=4 1652 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,0,0,1,0,0|2,0,1]=4 1653 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,0,0,1,0,0|1,0,0]=2 1654 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,0,0,1,0,0|2,0,1]=4 1655 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [0,0,0,1,0,0|3,0,0]=4 1656 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,0,0,1,0,0|2,0,0]=3 1657 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,0,0,1,0,0|2,0,0]=3 1658 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,0,0,1,0,0|2,0,0]=3 1659 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [0,0,0,1,0,0|3,0,0]=4 1660 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,0,0,1,0,0|1,0,0]=2 1661 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,0,0,1,0,0|1,0,0]=2 1662 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,0,0,1,0,0|1,0,0]=2 1663 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,0,0,1,0,0|1,0,0]=2 1664 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,0,0,1,0,0|1,0,0]=2 1665 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,0,0,1,0,0|1,0,0]=2 1666 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,0,0,1,0,0|2,0,1]=4 1667 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,0,0,1,0,0|2,0,0]=3 1668 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,0,0,1,0,0|2,0,0]=3 1669 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,0,0,1,0,0|2,0,0]=3 1670 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,0,0,1,0,0|2,0,0]=3 1671 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [0,0,0,1,0,0|3,0,0]=4 1672 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [0,0,0,1,0,0|3,0,0]=4 1673 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [0,0,0,1,0,0|3,0,0]=4 1674 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,0,0,1,0,0|2,0,0]=3 1675 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,0,0,1,0,0|1,1,0]=3 1676 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [0,0,0,1,0,0|3,0,0]=4 1677 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [0,0,0,1,0,0|3,0,0]=4 1678 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [0,0,0,1,0,0|3,0,0]=4 1679 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,0,0,1,0,0|1,1,0]=3 1680 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [0,0,0,1,0,0|3,0,0]=4 1681 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,0,0,1,0,0|2,0,0]=3 1682 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,0,0,1,0,0|2,0,0]=3 1683 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [0,0,0,1,0,0|3,0,0]=4 1684 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,0,0,1,0,0|3,0,0]=4 1685 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,0,0,1,0,0|2,0,0]=3 1686 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,0,0,1,0,0|2,0,0]=3 1687 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,0,0,1,0,0|1,0,0]=2 1688 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,0,0,1,0,0|1,0,0]=2 1689 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,0,0,1,0,0|2,0,0]=3 1690 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,0,0,1,0,0|2,0,0]=3 1691 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,0,0,1,0,0|2,0,0]=3 1692 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,0,0,1,0,0|2,0,0]=3 1693 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,0,0,1,0,0|2,0,0]=3 1694 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [0,0,0,1,0,0|2,0,0]=3 1695 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [0,0,0,1,0,0|2,0,0]=3 1696 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [0,0,0,1,0,0|2,0,0]=3 1697 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [0,0,0,1,0,0|3,0,0]=4 1698 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [0,0,0,1,0,0|3,0,0]=4 1699 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [0,0,0,1,0,0|3,0,0]=4 1700 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [0,0,0,1,0,0|3,0,0]=4 1701 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,0,0,0,0,1|1,0,1]=3 1702 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,0,0,0,0,1|1,0,1]=3 1703 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,0,0,0,0,1|1,0,1]=3 1704 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,0,0,0,0,1|1,0,1]=3 1705 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,0,0,0,0,1|1,0,1]=3 1706 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,0,0,0,0,1|1,0,1]=3 1707 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,0,0,0,0,1|1,0,1]=3 1708 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,0,0,0,0,1|1,0,1]=3 1709 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,0,0,0,0,1|1,0,1]=3 1710 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,0,0,0,0,1|1,0,1]=3 1711 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,0,0,0,0,1|2,0,1]=4 1712 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,0,0,0,0,1|1,0,1]=3 1713 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,0,0,0,0,1|1,0,1]=3 1714 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,0,0,0,0,1|1,0,1]=3 1715 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,0,0,0,0,1|1,0,1]=3 1716 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,0,0,0,0,1|1,0,1]=3 1717 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,0,0,0,0,1|1,0,1]=3 1718 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,0,0,0,0,1|1,0,1]=3 1719 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,0,0,0,0,1|1,0,1]=3 1720 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,0,0,0,0,1|1,0,1]=3 1721 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,0,0,0,0,1|1,0,1]=3 1722 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,0,0,0,0,1|1,0,1]=3 1723 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,0,0,0,0,1|1,0,1]=3 1724 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,0,0,0,0,1|2,0,1]=4 1725 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,0,0,0,0,1|2,0,1]=4 1726 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,0,0,0,0,1|2,0,1]=4 1727 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,0,0,0,0,1|3,0,0]=4 1728 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,0,0,0,0,1|2,0,0]=3 1729 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,0,0,0,0,1|3,0,0]=4 1730 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,0,0,0,0,1|3,0,0]=4 1731 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,0,0,0,0,1|3,0,0]=4 1732 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,0,0,0,0,1|1,0,0]=2 1733 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,0,0,0,0,1|1,0,0]=2 1734 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,0,0,0,0,1|1,0,0]=2 1735 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,0,0,0,0,1|1,0,0]=2 1736 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,0,0,0,0,1|2,0,0]=3 1737 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,0,0,0,0,1|3,0,0]=4 1738 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,0,0,0,0,1|3,0,0]=4 1739 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,0,0,0,0,1|3,0,0]=4 1740 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,0,0,0,0,1|1,0,0]=2 1741 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,0,0,0,0,1|1,0,0]=2 1742 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,0,0,0,0,1|1,0,0]=2 1743 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,0,0,0,0,1|1,0,0]=2 1744 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,0,0,0,0,1|1,0,0]=2 1745 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,0,0,0,0,1|3,0,0]=4 1746 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,0,0,0,0,1|3,0,0]=4 1747 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,0,0,0,0,1|2,0,1]=4 1748 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,0,0,0,0,1|2,0,1]=4 1749 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,0,0,0,0,1|3,0,0]=4 1750 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,0,0,0,0,1|2,1,0]=4 1751 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,0,0,0,0,1|3,0,0]=4 1752 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,0,0,0,0,1|3,0,0]=4 1753 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,0,0,0,0,1|3,0,0]=4 1754 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,0,0,0,0,1|2,0,0]=3 1755 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,0,0,0,0,1|2,0,0]=3 1756 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 1757 B5R0.1 C(C)(N)CCC MCULE-4800297905 [2,0,0,0,0,0|1,0,1]=4 1758 B5R0.1 C(C)(N)CCC MCULE-7674864567 [2,0,0,0,0,0|1,0,1]=4 1759 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|0,1,1]=4 1760 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,2]=4 1761 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|2,0,0]=4 1762 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,2]=4 1763 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 1764 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 1765 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 1766 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|2,0,0]=4 1767 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|2,0,0]=4 1768 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,1,0]=4 1769 B5R0.1 CC(C)CCS MCULE-7115473363 [2,0,0,0,0,0|1,0,1]=4 1770 B5R0.1 CC(N)CCN MCULE-5308134596 [2,0,0,0,0,0|1,0,1]=4 1771 B5R0.1 CC(N)CCN MCULE-5880045507 [2,0,0,0,0,0|1,0,1]=4 1772 B5R0.1 CC(N)CCN MCULE-7827515430 [2,0,0,0,0,0|1,0,1]=4 1773 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|0,1,1]=4 1774 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|0,1,1]=4 1775 B5R0.1 CC(O)CCBr MCULE-7983169885 [2,0,0,0,0,0|2,0,0]=4 1776 B5R0.1 CC(O)CCCl MCULE-2952545606 [2,0,0,0,0,0|2,0,0]=4 1777 B5R0.1 CC(O)CCN MCULE-6836791276 [2,0,0,0,0,0|2,0,0]=4 1778 B5R0.1 CC(O)CCN MCULE-7186260925 [2,0,0,0,0,0|2,0,0]=4 1779 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|1,1,0]=4 1780 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|1,1,0]=4 1781 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,2]=4 1782 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 1783 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 1784 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 1785 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 1786 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 1787 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 1788 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 1789 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 1790 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 1791 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 1792 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 1793 B5R0.1 CCCC(C)N MCULE-2640298430 [2,0,0,0,0,0|1,0,1]=4 1794 B5R0.1 CCCC(C)N MCULE-7225905167 [2,0,0,0,0,0|1,0,1]=4 1795 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 1796 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,1]=4 1797 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 1798 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 1799 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 1800 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [2,0,0,0,0,0|1,0,1]=4 1801 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [2,0,0,0,0,0|1,0,1]=4 1802 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [2,0,0,0,0,0|1,0,1]=4 1803 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [2,0,0,0,0,0|1,0,1]=4 1804 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 1805 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [2,0,0,0,0,0|1,0,1]=4 1806 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [2,0,0,0,0,0|1,0,1]=4 1807 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [2,0,0,0,0,0|1,0,1]=4 1808 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [2,0,0,0,0,0|1,0,1]=4 1809 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 1810 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|2,0,0]=4 1811 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 1812 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 1813 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|2,0,0]=4 1814 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|2,0,0]=4 1815 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|2,0,0]=4 1816 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|2,0,0]=4 1817 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 1818 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 1819 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 1820 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 1821 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 1822 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 1823 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 1824 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 1825 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 1826 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 1827 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 1828 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 1829 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 1830 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 1831 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 1832 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 1833 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|0,1,1]=4 1834 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|0,1,1]=4 1835 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [2,0,0,0,0,0|2,0,0]=4 1836 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [2,0,0,0,0,0|2,0,0]=4 1837 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [2,0,0,0,0,0|2,0,0]=4 1838 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [2,0,0,0,0,0|2,0,0]=4 1839 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|1,1,0]=4 1840 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|1,1,0]=4 1841 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|0,1,1]=4 1842 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|0,1,1]=4 1843 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|0,1,1]=4 1844 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|0,1,1]=4 1845 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [2,0,0,0,0,0|2,0,0]=4 1846 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [2,0,0,0,0,0|2,0,0]=4 1847 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|1,1,0]=4 1848 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|1,1,0]=4 1849 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 1850 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|1,0,1]=4 1851 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|1,0,1]=4 1852 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|0,1,1]=4 1853 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|0,0,1]=3 1854 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 1855 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|1,0,1]=4 1856 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|1,0,1]=4 1857 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,0]=3 1858 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,0]=3 1859 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,0]=3 1860 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|1,0,1]=4 1861 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|2,0,0]=4 1862 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 1863 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 1864 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 1865 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 1866 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 1867 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 1868 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 1869 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 1870 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 1871 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 1872 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 1873 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 1874 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 1875 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,1,0]=3 1876 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,0,0]=2 1877 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,1,0]=4 1878 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|0,1,1]=4 1879 B5R0.1 O=N(=O)CCS MCULE-4845430658 [2,0,0,0,0,0|1,0,1]=4 1880 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 1881 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 1882 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|1,0,1]=4 1883 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|1,0,1]=4 1884 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|2,0,0]=4 1885 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|2,0,0]=4 1886 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|2,0,0]=4 1887 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|2,0,0]=4 1888 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|2,0,0]=4 1889 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|2,0,0]=4 1890 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|1,1,0]=4 1891 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|1,0,0]=3 1892 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|1,0,1]=4 1893 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|1,0,1]=4 1894 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|2,0,0]=4 1895 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|2,0,0]=4 1896 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|2,0,0]=4 1897 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|2,0,0]=4 1898 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|2,0,0]=4 1899 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|2,0,0]=4 1900 B5R0.2 COCCCS MCULE-2371333731 [2,0,0,0,0,0|2,0,0]=4 1901 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|2,0,0]=4 1902 B5R0.2 CSCCCS MCULE-8405766359 [2,0,0,0,0,0|2,0,0]=4 1903 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 1904 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|1,0,1]=4 1905 B5R0.2 NCCCCS MCULE-4353910418 [2,0,0,0,0,0|1,0,1]=4 1906 B5R0.2 NCCCCS MCULE-9812416858 [2,0,0,0,0,0|1,0,1]=4 1907 B5R0.2 NOCCCS MCULE-2063976508 [2,0,0,0,0,0|2,0,0]=4 1908 B5R0.2 NOCCCS MCULE-3464018652 [2,0,0,0,0,0|2,0,0]=4 1909 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|0,1,1]=4 1910 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|0,1,1]=4 1911 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 1912 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 1913 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 1914 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|0,1,0]=3 1915 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|1,1,0]=4 1916 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,1,0]=4 1917 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 1918 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 1919 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,1]=4 1920 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,1]=4 1921 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,1]=4 1922 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,1]=4 1923 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|0,1,1]=4 1924 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|0,1,1]=4 1925 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|0,0,1]=3 1926 B5R0.2 SCCCCS MCULE-6695609899 [2,0,0,0,0,0|0,1,1]=4 1927 B5R0.3 C#CC(N)CC MCULE-2327605941 [2,0,0,0,0,0|1,0,1]=4 1928 B5R0.3 C#CC(N)CC MCULE-3572771620 [2,0,0,0,0,0|1,0,1]=4 1929 B5R0.3 C=C(C=O)CC MCULE-2875154067 [2,0,0,0,0,0|1,0,1]=4 1930 B5R0.3 C=CC(C)CC MCULE-8112547661 [2,0,0,0,0,0|2,0,0]=4 1931 B5R0.3 C=CC(N)CC MCULE-6270835453 [2,0,0,0,0,0|1,0,0]=3 1932 B5R0.3 C=CC(N)CC MCULE-7920121163 [2,0,0,0,0,0|1,0,0]=3 1933 B5R0.3 C=CC(N)CO MCULE-2457433196 [2,0,0,0,0,0|1,1,0]=4 1934 B5R0.3 C=CC(N)CO MCULE-6697949182 [2,0,0,0,0,0|1,1,0]=4 1935 B5R0.3 C=CC(N)CO MCULE-7137123222 [2,0,0,0,0,0|1,1,0]=4 1936 B5R0.3 C=CC(N)CO MCULE-8388687355 [2,0,0,0,0,0|1,1,0]=4 1937 B5R0.3 C=CC(O)CC MCULE-2794806228 [2,0,0,0,0,0|2,0,0]=4 1938 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [2,0,0,0,0,0|1,1,0]=4 1939 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [2,0,0,0,0,0|1,1,0]=4 1940 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [2,0,0,0,0,0|1,1,0]=4 1941 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [2,0,0,0,0,0|1,1,0]=4 1942 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [2,0,0,0,0,0|1,1,0]=4 1943 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [2,0,0,0,0,0|1,1,0]=4 1944 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [2,0,0,0,0,0|1,1,0]=4 1945 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [2,0,0,0,0,0|1,1,0]=4 1946 B5R0.3 CC(CO)CS MCULE-1990992504 [2,0,0,0,0,0|1,0,1]=4 1947 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [2,0,0,0,0,0|1,0,1]=4 1948 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [2,0,0,0,0,0|1,0,1]=4 1949 B5R0.3 CCC(Br)C=O MCULE-3064952987 [2,0,0,0,0,0|1,0,0]=3 1950 B5R0.3 CCC(Br)CO MCULE-7211805716 [2,0,0,0,0,0|1,0,1]=4 1951 B5R0.3 CCC(C)C=O MCULE-2523669899 [2,0,0,0,0,0|1,0,0]=3 1952 B5R0.3 CCC(C)CO MCULE-6521026296 [2,0,0,0,0,0|1,0,1]=4 1953 B5R0.3 CCC(C)NO MCULE-1247092627 [2,0,0,0,0,0|2,0,0]=4 1954 B5R0.3 CCC(C)NO MCULE-6169819668 [2,0,0,0,0,0|2,0,0]=4 1955 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [2,0,0,0,0,0|1,0,0]=3 1956 B5R0.3 CCC(Cl)CO MCULE-1756262629 [2,0,0,0,0,0|1,0,1]=4 1957 B5R0.3 CCC(N)C#N MCULE-1350483203 [2,0,0,0,0,0|1,0,1]=4 1958 B5R0.3 CCC(N)C#N MCULE-3867024162 [2,0,0,0,0,0|1,0,1]=4 1959 B5R0.3 CCC(N)CBr MCULE-3567691924 [2,0,0,0,0,0|1,0,1]=4 1960 B5R0.3 CCC(N)CC MCULE-4261937519 [2,0,0,0,0,0|1,0,1]=4 1961 B5R0.3 CCC(N)CC MCULE-5899128891 [2,0,0,0,0,0|1,0,1]=4 1962 B5R0.3 CCC(N)CN MCULE-6911484065 [2,0,0,0,0,0|1,0,1]=4 1963 B5R0.3 CCC(N)CN MCULE-8376506697 [2,0,0,0,0,0|1,0,1]=4 1964 B5R0.3 CCC(N)CO MCULE-1135809021 [2,0,0,0,0,0|0,0,1]=3 1965 B5R0.3 CCC(N)CO MCULE-7588854111 [2,0,0,0,0,0|0,0,1]=3 1966 B5R0.3 CCC(O)CO MCULE-2488753438 [2,0,0,0,0,0|1,0,1]=4 1967 B5R0.3 CCC(O)CO MCULE-7297282094 [2,0,0,0,0,0|1,0,1]=4 1968 B5R0.3 CCN(C)C=O MCULE-2308681384 [2,0,0,0,0,0|2,0,0]=4 1969 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [2,0,0,0,0,0|1,0,1]=4 1970 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [2,0,0,0,0,0|1,0,1]=4 1971 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [2,0,0,0,0,0|1,0,1]=4 1972 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [2,0,0,0,0,0|1,0,1]=4 1973 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [2,0,0,0,0,0|0,0,1]=3 1974 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [2,0,0,0,0,0|0,0,1]=3 1975 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [2,0,0,0,0,0|1,0,1]=4 1976 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [2,0,0,0,0,0|1,0,1]=4 1977 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [2,0,0,0,0,0|1,0,1]=4 1978 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [2,0,0,0,0,0|1,0,1]=4 1979 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [2,0,0,0,0,0|1,0,1]=4 1980 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [2,0,0,0,0,0|1,0,1]=4 1981 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [2,0,0,0,0,0|1,0,1]=4 1982 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [2,0,0,0,0,0|1,0,1]=4 1983 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [2,0,0,0,0,0|0,0,1]=3 1984 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [2,0,0,0,0,0|0,0,1]=3 1985 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [2,0,0,0,0,0|1,0,1]=4 1986 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [2,0,0,0,0,0|1,0,1]=4 1987 B5R0.3 NC(CO)CF MCULE-3756808200 [2,0,0,0,0,0|1,0,1]=4 1988 B5R0.3 NC(CO)CF MCULE-9468719402 [2,0,0,0,0,0|1,0,1]=4 1989 B5R0.3 NC(CO)CO MCULE-1559988016 [2,0,0,0,0,0|0,1,1]=4 1990 B5R0.3 NC(CO)CO MCULE-4954119952 [2,0,0,0,0,0|0,1,1]=4 1991 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [2,0,0,0,0,0|1,0,1]=4 1992 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [2,0,0,0,0,0|1,0,1]=4 1993 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [2,0,0,0,0,0|1,0,1]=4 1994 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [2,0,0,0,0,0|1,0,1]=4 1995 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [2,0,0,0,0,0|1,0,1]=4 1996 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [2,0,0,0,0,0|1,0,1]=4 1997 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [2,0,0,0,0,0|1,0,1]=4 1998 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [2,0,0,0,0,0|1,0,1]=4 1999 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [2,0,0,0,0,0|1,0,1]=4 2000 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [2,0,0,0,0,0|1,0,1]=4 2001 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [2,0,0,0,0,0|1,0,1]=4 2002 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [2,0,0,0,0,0|1,0,1]=4 2003 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|1,1,0]=4 2004 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|1,1,0]=4 2005 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|1,1,0]=4 2006 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|1,1,0]=4 2007 B5R0.3 OCC(O)CS MCULE-6300188207 [2,0,0,0,0,0|1,0,1]=4 2008 B5R0.3 OCC(S)CS MCULE-9735516119 [2,0,0,0,0,0|1,0,1]=4 2009 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [2,0,0,0,0,0|1,0,1]=4 2010 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [2,0,0,0,0,0|1,0,1]=4 2011 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [2,0,0,0,0,0|2,0,0]=4 2012 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [2,0,0,0,0,0|2,0,0]=4 2013 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [2,0,0,0,0,0|2,0,0]=4 2014 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [2,0,0,0,0,0|2,0,0]=4 2015 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [2,0,0,0,0,0|1,0,0]=3 2016 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [2,0,0,0,0,0|1,0,0]=3 2017 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [2,0,0,0,0,0|2,0,0]=4 2018 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [2,0,0,0,0,0|2,0,0]=4 2019 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [2,0,0,0,0,0|2,0,0]=4 2020 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [2,0,0,0,0,0|1,0,0]=3 2021 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [2,0,0,0,0,0|1,0,0]=3 2022 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [2,0,0,0,0,0|1,0,0]=3 2023 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [2,0,0,0,0,0|1,0,0]=3 2024 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [2,0,0,0,0,0|2,0,0]=4 2025 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [2,0,0,0,0,0|2,0,0]=4 2026 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [2,0,0,0,0,0|2,0,0]=4 2027 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [2,0,0,0,0,0|1,0,0]=3 2028 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [2,0,0,0,0,0|1,0,0]=3 2029 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [2,0,0,0,0,0|2,0,0]=4 2030 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [2,0,0,0,0,0|2,0,0]=4 2031 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [2,0,0,0,0,0|2,0,0]=4 2032 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [2,0,0,0,0,0|1,0,0]=3 2033 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [2,0,0,0,0,0|1,1,0]=4 2034 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [2,0,0,0,0,0|2,0,0]=4 2035 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [2,0,0,0,0,0|2,0,0]=4 2036 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [2,0,0,0,0,0|2,0,0]=4 2037 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [2,0,0,0,0,0|1,0,0]=3 2038 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [2,0,0,0,0,0|1,0,0]=3 2039 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [2,0,0,0,0,0|1,0,0]=3 2040 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [2,0,0,0,0,0|2,0,0]=4 2041 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [2,0,0,0,0,0|1,0,0]=3 2042 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [2,0,0,0,0,0|1,0,0]=3 2043 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [2,0,0,0,0,0|1,0,0]=3 2044 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [2,0,0,0,0,0|1,0,0]=3 2045 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [2,0,0,0,0,0|1,0,0]=3 2046 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [2,0,0,0,0,0|1,0,0]=3 2047 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [2,0,0,0,0,0|0,0,0]=2 2048 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [2,0,0,0,0,0|0,0,0]=2 2049 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [2,0,0,0,0,0|0,0,0]=2 2050 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [2,0,0,0,0,0|0,0,0]=2 2051 B5R0.5 CC(N)C(C)O MCULE-3512899672 [2,0,0,0,0,0|1,0,1]=4 2052 B5R0.5 CC(N)C(C)O MCULE-6286987696 [2,0,0,0,0,0|1,0,1]=4 2053 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [2,0,0,0,0,0|2,0,0]=4 2054 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [2,0,0,0,0,0|2,0,0]=4 2055 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [2,0,0,0,0,0|1,0,0]=3 2056 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [2,0,0,0,0,0|1,0,0]=3 2057 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [2,0,0,0,0,0|1,0,1]=4 2058 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [2,0,0,0,0,0|1,0,1]=4 2059 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [2,0,0,0,0,0|1,0,1]=4 2060 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [2,0,0,0,0,0|2,0,0]=4 2061 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [2,0,0,0,0,0|1,0,0]=3 2062 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [2,0,0,0,0,0|2,0,0]=4 2063 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [2,0,0,0,0,0|2,0,0]=4 2064 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [2,0,0,0,0,0|1,0,0]=3 2065 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [2,0,0,0,0,0|1,0,0]=3 2066 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [2,0,0,0,0,0|2,0,0]=4 2067 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [2,0,0,0,0,0|1,0,0]=3 2068 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [2,0,0,0,0,0|1,0,0]=3 2069 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [2,0,0,0,0,0|2,0,0]=4 2070 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [2,0,0,0,0,0|1,0,0]=3 2071 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [2,0,0,0,0,0|1,0,0]=3 2072 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [2,0,0,0,0,0|1,0,0]=3 2073 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [2,0,0,0,0,0|1,0,0]=3 2074 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [2,0,0,0,0,0|0,0,0]=2 2075 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [2,0,0,0,0,0|0,0,0]=2 2076 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [2,0,0,0,0,0|1,0,1]=4 2077 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [2,0,0,0,0,0|1,0,1]=4 2078 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [2,0,0,0,0,0|1,0,1]=4 2079 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [2,0,0,0,0,0|1,0,1]=4 2080 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [2,0,0,0,0,0|1,0,1]=4 2081 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [2,0,0,0,0,0|2,0,0]=4 2082 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [2,0,0,0,0,0|2,0,0]=4 2083 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [2,0,0,0,0,0|1,0,0]=3 2084 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [2,0,0,0,0,0|1,0,0]=3 2085 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [2,0,0,0,0,0|1,0,1]=4 2086 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [2,0,0,0,0,0|1,0,1]=4 2087 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [2,0,0,0,0,0|1,0,1]=4 2088 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [2,0,0,0,0,0|2,0,0]=4 2089 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [2,0,0,0,0,0|1,0,0]=3 2090 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [2,0,0,0,0,0|1,0,0]=3 2091 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [2,0,0,0,0,0|1,0,0]=3 2092 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [2,0,0,0,0,0|1,0,0]=3 2093 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [2,0,0,0,0,0|2,0,0]=4 2094 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [2,0,0,0,0,0|1,0,0]=3 2095 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [2,0,0,0,0,0|1,0,0]=3 2096 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [2,0,0,0,0,0|1,0,0]=3 2097 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [2,0,0,0,0,0|1,0,0]=3 2098 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [2,0,0,0,0,0|1,0,0]=3 2099 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [2,0,0,0,0,0|1,0,0]=3 2100 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [2,0,0,0,0,0|1,0,0]=3 2101 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [2,0,0,0,0,0|1,0,0]=3 2102 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [2,0,0,0,0,0|0,0,0]=2 2103 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [2,0,0,0,0,0|0,0,0]=2 2104 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [2,0,0,0,0,0|0,0,0]=2 2105 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [2,0,0,0,0,0|0,0,0]=2 2106 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [2,0,0,0,0,0|1,0,1]=4 2107 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [2,0,0,0,0,0|1,0,1]=4 2108 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [2,0,0,0,0,0|1,0,1]=4 2109 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [2,0,0,0,0,0|1,0,1]=4 2110 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [2,0,0,0,0,0|1,0,1]=4 2111 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [2,0,0,0,0,0|1,0,1]=4 2112 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [2,0,0,0,0,0|2,0,0]=4 2113 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [2,0,0,0,0,0|1,0,0]=3 2114 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [2,0,0,0,0,0|1,0,0]=3 2115 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [2,0,0,0,0,0|1,0,1]=4 2116 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [2,0,0,0,0,0|1,0,1]=4 2117 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [2,0,0,0,0,0|1,0,1]=4 2118 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [2,0,0,0,0,0|1,0,1]=4 2119 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [2,0,0,0,0,0|1,0,1]=4 2120 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [2,0,0,0,0,0|1,0,1]=4 2121 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [2,0,0,0,0,0|1,0,1]=4 2122 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [2,0,0,0,0,0|1,0,1]=4 2123 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [2,0,0,0,0,0|1,0,1]=4 2124 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [2,0,0,0,0,0|0,1,1]=4 2125 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [2,0,0,0,0,0|0,1,0]=3 2126 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [2,0,0,0,0,0|2,0,0]=4 2127 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [2,0,0,0,0,0|2,0,0]=4 2128 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [2,0,0,0,0,0|2,0,0]=4 2129 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [2,0,0,0,0,0|2,0,0]=4 2130 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [2,0,0,0,0,0|2,0,0]=4 2131 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [2,0,0,0,0,0|2,0,0]=4 2132 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [2,0,0,0,0,0|2,0,0]=4 2133 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [2,0,0,0,0,0|1,1,0]=4 2134 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [2,0,0,0,0,0|2,0,0]=4 2135 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [2,0,0,0,0,0|2,0,0]=4 2136 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [2,0,0,0,0,0|2,0,0]=4 2137 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [1,1,0,0,0,0|2,0,0]=4 2138 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [1,1,0,0,0,0|1,0,1]=4 2139 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [1,1,0,0,0,0|1,0,1]=4 2140 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [1,1,0,0,0,0|1,0,1]=4 2141 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [1,1,0,0,0,0|1,0,1]=4 2142 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [1,1,0,0,0,0|1,0,0]=3 2143 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [1,1,0,0,0,0|1,0,1]=4 2144 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [1,1,0,0,0,0|1,0,1]=4 2145 B7R0.2 NC(CO)CC(F)F MCULE-5033329865 [1,1,0,0,0,0|1,0,1]=4 2146 B7R0.2 NC(CO)CC(F)F MCULE-6986507912 [1,1,0,0,0,0|1,0,1]=4 2147 B7R0.3 C#CCC[C@@H](N)CO MCULE-6761945465 [1,1,0,0,0,0|1,0,1]=4 2148 B7R0.3 C#CCC[C@@H](N)CO MCULE-9589288760 [1,1,0,0,0,0|1,0,1]=4 2149 B7R0.3 C#CCC[C@H](N)CO MCULE-5308019604 [1,1,0,0,0,0|1,0,1]=4 2150 B7R0.3 C#CCC[C@H](N)CO MCULE-7191637286 [1,1,0,0,0,0|1,0,1]=4 2151 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,1,0,0,0,0|1,0,1]=4 2152 B7R0.3 CC(C=O)CCC#N MCULE-6355316754 [1,1,0,0,0,0|2,0,0]=4 2153 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,1,0,0,0,0|2,0,0]=4 2154 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|1,0,1]=4 2155 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|1,0,1]=4 2156 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|1,0,1]=4 2157 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|1,0,1]=4 2158 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|1,0,1]=4 2159 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|1,0,1]=4 2160 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|1,0,1]=4 2161 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|1,0,1]=4 2162 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,1,0,0,0,0|2,0,0]=4 2163 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|1,0,1]=4 2164 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,1,0,0,0,0|1,0,1]=4 2166 B7R0.3 COCCC(N)CO MCULE-9758817920 [1,1,0,0,0,0|0,1,1]=4 2167 B7R0.3 CSCCC(N)CO MCULE-1688371230 [1,1,0,0,0,0|0,0,1]=3 2168 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [1,1,0,0,0,0|0,0,1]=3 2169 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [1,1,0,0,0,0|0,0,1]=3 2170 B7R0.3 CSCC[C@H](N)CN MCULE-6460179286 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [1,1,0,0,0,0|0,0,1]=3 2172 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [1,1,0,0,0,0|0,0,1]=3 2173 B7R0.7 CCCC(N)CCO MCULE-3641094890 [1,1,0,0,0,0|1,0,1]=4 2174 B7R0.7 CCCC(N)CCO MCULE-5323991138 [1,1,0,0,0,0|1,0,1]=4 2175 B7R0.7 CCCC(N)CCO MCULE-6597027417 [1,1,0,0,0,0|1,0,1]=4 2176 B7R0.7 CCCC(N)CCO MCULE-8093709628 [1,1,0,0,0,0|1,0,1]=4 2177 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [1,1,0,0,0,0|1,0,1]=4 2178 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [1,1,0,0,0,0|1,0,1]=4 2179 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [1,1,0,0,0,0|1,0,1]=4 2180 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [1,1,0,0,0,0|1,0,1]=4 2181 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [1,1,0,0,0,0|1,0,1]=4 2182 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [1,1,0,0,0,0|1,0,1]=4 2183 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [1,1,0,0,0,0|1,0,1]=4 2184 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [1,1,0,0,0,0|1,0,1]=4 2185 B7R0.7 COCC(N)CCO MCULE-2569422233 [1,1,0,0,0,0|0,1,1]=4 2186 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [1,1,0,0,0,0|1,0,1]=4 2187 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [1,1,0,0,0,0|1,0,1]=4 2188 B7R0.10 CCC(C)C(N)CO MCULE-3990781918 [1,1,0,0,0,0|1,0,1]=4 2189 B7R0.10 CCC(C)C(N)CO MCULE-9261445768 [1,1,0,0,0,0|1,0,1]=4 2190 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-2122638055 [1,1,0,0,0,0|1,0,1]=4 2191 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-7964651759 [1,1,0,0,0,0|1,0,1]=4 2192 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-8482653298 [1,1,0,0,0,0|1,0,1]=4 2193 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-3647332227 [1,1,0,0,0,0|1,0,1]=4 2194 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-5774547825 [1,1,0,0,0,0|1,0,1]=4 2195 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8401203397 [1,1,0,0,0,0|1,0,1]=4 2196 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8452836661 [1,1,0,0,0,0|1,0,1]=4 2197 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-9307589673 [1,1,0,0,0,0|1,0,1]=4 2198 B7R0.10 N[C@@H](CO)[C@@H](N)CO MCULE-2394488011 [1,1,0,0,0,0|0,1,1]=4 2199 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [1,1,0,0,0,0|1,1,0]=4 2200 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [1,1,0,0,0,0|1,1,0]=4 2201 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [1,1,0,0,0,0|1,1,0]=4 2202 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [1,1,0,0,0,0|1,1,0]=4 2203 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [1,1,0,0,0,0|1,1,0]=4 2204 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [1,1,0,0,0,0|1,1,0]=4 2205 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [1,1,0,0,0,0|1,1,0]=4 2206 B7R0.10 OC[C@@H](O)[C@H](S)CS MCULE-1423721945 [1,1,0,0,0,0|1,0,1]=4 2207 B7R0.10 [C@@H](C)(CC)[C@@H](N)CO MCULE-4423825378 [1,1,0,0,0,0|1,0,1]=4 2208 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [1,1,0,0,0,0|1,0,1]=4 2209 B7R0.11 CCCC(C)(C)C=O MCULE-1675435662 [1,1,0,0,0,0|2,0,0]=4 2210 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [1,1,0,0,0,0|1,0,1]=4 2211 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [1,1,0,0,0,0|0,0,2]=4 2212 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [1,1,0,0,0,0|2,0,0]=4 2213 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [1,1,0,0,0,0|2,0,0]=4 2214 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [1,1,0,0,0,0|2,0,0]=4 2215 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [1,1,0,0,0,0|2,0,0]=4 2216 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [1,1,0,0,0,0|2,0,0]=4 2217 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [1,1,0,0,0,0|2,0,0]=4 2218 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [1,1,0,0,0,0|1,1,0]=4 2219 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [1,1,0,0,0,0|2,0,0]=4 2220 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [1,1,0,0,0,0|0,1,0]=3 2221 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [1,1,0,0,0,0|0,1,0]=3 2222 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [1,1,0,0,0,0|0,0,0]=2 2223 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [1,1,0,0,0,0|0,0,0]=2 2224 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [1,1,0,0,0,0|2,0,0]=4 2225 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [1,1,0,0,0,0|2,0,0]=4 2226 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [1,1,0,0,0,0|1,1,0]=4 2227 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [1,1,0,0,0,0|2,0,0]=4 2228 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [1,1,0,0,0,0|1,0,0]=3 2229 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [1,1,0,0,0,0|2,0,0]=4 2230 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [1,1,0,0,0,0|2,0,0]=4 2231 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [1,1,0,0,0,0|1,0,0]=3 2232 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [1,1,0,0,0,0|1,0,0]=3 2233 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [1,1,0,0,0,0|0,0,0]=2 2234 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [1,1,0,0,0,0|0,0,0]=2 2235 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [1,1,0,0,0,0|0,0,0]=2 2236 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [1,1,0,0,0,0|2,0,0]=4 2237 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [1,1,0,0,0,0|2,0,0]=4 2238 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [1,1,0,0,0,0|2,0,0]=4 2239 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [1,1,0,0,0,0|1,0,0]=3 2240 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [1,1,0,0,0,0|1,0,0]=3 2241 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [1,1,0,0,0,0|1,0,0]=3 2242 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [1,1,0,0,0,0|1,0,1]=4 2243 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [1,1,0,0,0,0|0,0,0]=2 2244 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [1,1,0,0,0,0|0,0,0]=2 2245 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [1,1,0,0,0,0|0,0,0]=2 2246 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [1,1,0,0,0,0|0,0,0]=2 2247 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [1,1,0,0,0,0|0,0,0]=2 2248 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [1,1,0,0,0,0|0,0,0]=2 2249 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [1,1,0,0,0,0|0,0,0]=2 2250 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [1,1,0,0,0,0|0,0,0]=2 2251 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [1,1,0,0,0,0|1,0,0]=3 2252 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [1,1,0,0,0,0|2,0,0]=4 2253 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [1,1,0,0,0,0|2,0,0]=4 2254 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [1,1,0,0,0,0|2,0,0]=4 2255 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [1,1,0,0,0,0|2,0,0]=4 2256 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [1,1,0,0,0,0|0,1,0]=3 2257 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [1,1,0,0,0,0|0,1,0]=3 2258 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [1,1,0,0,0,0|0,0,0]=2 2259 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [1,1,0,0,0,0|0,0,0]=2 2260 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [1,1,0,0,0,0|0,0,0]=2 2261 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [1,1,0,0,0,0|0,0,0]=2 2262 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [1,1,0,0,0,0|2,0,0]=4 2263 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [1,1,0,0,0,0|2,0,0]=4 2264 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [1,1,0,0,0,0|0,1,0]=3 2265 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [1,1,0,0,0,0|0,1,0]=3 2266 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [1,1,0,0,0,0|0,0,0]=2 2267 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [1,1,0,0,0,0|0,0,0]=2 2268 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [1,1,0,0,0,0|0,0,0]=2 2269 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [1,1,0,0,0,0|0,0,0]=2 2270 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [1,1,0,0,0,0|2,0,0]=4 2271 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [1,1,0,0,0,0|2,0,0]=4 2272 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [1,1,0,0,0,0|2,0,0]=4 2275 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [1,1,0,0,0,0|1,1,0]=4 2276 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.14 CCC(N)C(C)(C)O MCULE-2452246439 [1,1,0,0,0,0|1,0,1]=4 2278 B7R0.14 CCC(N)C(C)(C)O MCULE-3686970762 [1,1,0,0,0,0|1,0,1]=4 2279 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [1,1,0,0,0,0|1,0,0]=3 2280 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-2250873384 [1,1,0,0,0,0|1,0,1]=4 2282 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-7069208023 [1,1,0,0,0,0|1,0,1]=4 2283 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-6344226071 [1,1,0,0,0,0|1,0,1]=4 2284 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-7677944024 [1,1,0,0,0,0|1,0,1]=4 2285 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [1,1,0,0,0,0|2,0,0]=4 2286 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [1,1,0,0,0,0|1,0,1]=4 2287 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [1,1,0,0,0,0|0,0,1]=3 2288 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [1,1,0,0,0,0|2,0,0]=4 2289 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [1,1,0,0,0,0|2,0,0]=4 2290 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [1,1,0,0,0,0|2,0,0]=4 2291 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [1,1,0,0,0,0|1,0,0]=3 2292 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [1,1,0,0,0,0|0,0,0]=2 2293 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [1,1,0,0,0,0|0,0,0]=2 2294 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,1,0,0,0,0|1,0,0]=3 2295 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [1,1,0,0,0,0|1,0,1]=4 2296 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [1,1,0,0,0,0|1,0,0]=3 2297 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [1,1,0,0,0,0|1,0,0]=3 2298 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [1,1,0,0,0,0|0,0,0]=2 2299 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [1,1,0,0,0,0|0,0,0]=2 2300 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [1,1,0,0,0,0|0,0,0]=2 2301 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [1,1,0,0,0,0|0,0,0]=2 2302 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [1,1,0,0,0,0|2,0,0]=4 2303 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [1,1,0,0,0,0|1,0,0]=3 2304 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [1,1,0,0,0,0|1,0,0]=3 2305 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [1,1,0,0,0,0|0,0,0]=2 2306 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [1,1,0,0,0,0|0,0,0]=2 2307 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [1,1,0,0,0,0|0,0,0]=2 2308 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [1,1,0,0,0,0|0,0,0]=2 2309 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [1,1,0,0,0,0|0,0,0]=2 2310 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,1,0,0,0,0|1,0,0]=3 2311 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [1,1,0,0,0,0|1,0,0]=3 2312 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [1,1,0,0,0,0|1,0,0]=3 2313 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [1,1,0,0,0,0|1,0,0]=3 2314 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [1,1,0,0,0,0|1,0,0]=3 2315 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [1,1,0,0,0,0|2,0,0]=4 2316 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [1,1,0,0,0,0|0,1,0]=3 2317 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [1,1,0,0,0,0|0,1,0]=3 2318 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [1,1,0,0,0,0|0,0,0]=2 2319 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [1,1,0,0,0,0|0,0,0]=2 2320 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [1,1,0,0,0,0|1,0,0]=3 2321 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [1,1,0,0,0,0|1,0,0]=3 2322 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [1,1,0,0,0,0|0,1,0]=3 2323 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [1,1,0,0,0,0|0,1,0]=3 2324 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [1,1,0,0,0,0|0,1,0]=3 2325 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [1,1,0,0,0,0|0,1,0]=3 2326 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [1,1,0,0,0,0|0,0,0]=2 2327 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [1,1,0,0,0,0|0,0,0]=2 2328 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [1,1,0,0,0,0|0,1,0]=3 2329 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [1,1,0,0,0,0|0,1,0]=3 2330 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [1,1,0,0,0,0|2,0,0]=4 2331 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [1,1,0,0,0,0|2,0,0]=4 2332 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [1,1,0,0,0,0|1,0,0]=3 2333 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [1,1,0,0,0,0|1,0,0]=3 2334 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [1,1,0,0,0,0|2,0,0]=4 2335 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [1,1,0,0,0,0|1,0,0]=3 2336 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [1,1,0,0,0,0|1,0,0]=3 2337 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [1,1,0,0,0,0|1,0,1]=4 2338 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [1,1,0,0,0,0|0,1,0]=3 2339 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [1,1,0,0,0,0|0,1,0]=3 2340 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [1,1,0,0,0,0|0,1,0]=3 2341 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [1,1,0,0,0,0|0,1,0]=3 2342 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [1,1,0,0,0,0|0,1,0]=3 2343 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [1,1,0,0,0,0|2,0,0]=4 2344 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [1,1,0,0,0,0|1,0,0]=3 2345 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [1,1,0,0,0,0|0,1,0]=3 2346 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [1,1,0,0,0,0|1,0,1]=4 2347 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,1,0,0,0,0|0,0,1]=3 2348 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,1,0,0,0,0|0,0,1]=3 2349 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,1,0,0,0,0|0,0,1]=3 2350 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,1,0,0,0,0|0,0,1]=3 2351 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [1,1,0,0,0,0|1,0,1]=4 2352 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,1,0,0,0,0|0,0,1]=3 2353 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,1,0,0,0,0|0,0,1]=3 2354 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,1,0,0,0,0|0,0,1]=3 2355 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,1,0,0,0,0|0,0,1]=3 2356 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [1,1,0,0,0,0|2,0,0]=4 2357 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [1,1,0,0,0,0|2,0,0]=4 2358 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [1,1,0,0,0,0|1,0,1]=4 2359 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [1,1,0,0,0,0|1,0,1]=4 2360 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [1,1,0,0,0,0|1,0,0]=3 2361 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [1,1,0,0,0,0|1,0,0]=3 2362 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,1,0,0,0,0|2,0,0]=4 2363 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,1,0,0,0,0|2,0,0]=4 2364 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,1,0,0,0,0|2,0,0]=4 2365 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [1,1,0,0,0,0|1,0,1]=4 2366 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [1,1,0,0,0,0|2,0,0]=4 2367 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [1,1,0,0,0,0|2,0,0]=4 2368 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [1,1,0,0,0,0|2,0,0]=4 2369 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [1,1,0,0,0,0|1,0,0]=3 2370 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [1,1,0,0,0,0|1,0,0]=3 2371 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [1,1,0,0,0,0|2,0,0]=4 2372 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [1,1,0,0,0,0|1,0,0]=3 2373 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [1,1,0,0,0,0|2,0,0]=4 2374 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [1,1,0,0,0,0|1,0,0]=3 2375 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [1,1,0,0,0,0|1,0,0]=3 2376 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [1,1,0,0,0,0|1,0,0]=3 2377 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [1,1,0,0,0,0|1,0,0]=3 2378 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [1,1,0,0,0,0|0,0,0]=2 2379 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [1,1,0,0,0,0|0,0,0]=2 2380 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [1,1,0,0,0,0|1,0,0]=3 2381 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [1,1,0,0,0,0|1,0,0]=3 2382 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [1,1,0,0,0,0|1,0,0]=3 2383 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [1,1,0,0,0,0|1,0,0]=3 2384 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [1,1,0,0,0,0|1,0,0]=3 2385 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [1,1,0,0,0,0|1,0,0]=3 2386 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [1,1,0,0,0,0|1,0,0]=3 2387 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [1,1,0,0,0,0|1,0,0]=3 2388 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [1,1,0,0,0,0|0,0,0]=2 2389 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [1,1,0,0,0,0|0,0,0]=2 2390 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [1,1,0,0,0,0|1,0,0]=3 2391 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [1,1,0,0,0,0|1,0,0]=3 2392 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [1,1,0,0,0,0|1,0,0]=3 2393 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [1,1,0,0,0,0|1,0,0]=3 2394 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [1,1,0,0,0,0|1,0,0]=3 2395 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [1,1,0,0,0,0|1,0,0]=3 2396 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [1,1,0,0,0,0|1,0,0]=3 2397 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [1,1,0,0,0,0|1,0,0]=3 2398 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [1,1,0,0,0,0|1,0,0]=3 2399 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [1,1,0,0,0,0|1,0,0]=3 2400 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [1,1,0,0,0,0|1,0,0]=3 2401 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [1,1,0,0,0,0|1,0,0]=3 2402 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [1,1,0,0,0,0|1,0,0]=3 2403 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [1,1,0,0,0,0|1,0,0]=3 2404 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [1,1,0,0,0,0|0,0,0]=2 2405 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [1,1,0,0,0,0|0,0,0]=2 2406 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [1,1,0,0,0,0|1,0,0]=3 2407 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [1,1,0,0,0,0|1,0,0]=3 2408 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [1,1,0,0,0,0|0,0,0]=2 2409 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [1,1,0,0,0,0|1,0,0]=3 2410 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [1,1,0,0,0,0|1,0,0]=3 2411 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [1,1,0,0,0,0|1,0,0]=3 2412 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [1,1,0,0,0,0|1,0,0]=3 2413 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,1,0,0,0,0|1,0,0]=3 2414 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [1,1,0,0,0,0|1,0,0]=3 2415 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [1,1,0,0,0,0|1,0,0]=3 2416 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,1,0,0,0,0|0,0,0]=2 2417 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,1,0,0,0,0|0,0,0]=2 2418 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,1,0,0,0,0|2,0,0]=4 2419 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,1,0,0,0,0|2,0,0]=4 2420 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,1,0,0,0,0|2,0,0]=4 2421 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [1,1,0,0,0,0|0,0,0]=2 2422 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,1,0,0,0,0|0,0,0]=2 2423 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,1,0,0,0,0|0,0,0]=2 2424 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,1,0,0,0,0|0,0,0]=2 2425 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,1,0,0,0,0|0,0,0]=2 2426 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [1,1,0,0,0,0|1,0,0]=3 2427 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [1,1,0,0,0,0|1,0,0]=3 2428 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [1,1,0,0,0,0|1,0,0]=3 2429 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [1,1,0,0,0,0|1,0,0]=3 2430 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [1,1,0,0,0,0|1,0,0]=3 2431 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [1,1,0,0,0,0|1,0,0]=3 2432 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,1,0,0,0,0|0,0,0]=2 2433 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,1,0,0,0,0|0,0,0]=2 2434 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,1,0,0,0,0|0,0,0]=2 2435 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,1,0,0,0,0|0,0,0]=2 2436 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,1,0,0,0,0|0,0,0]=2 2437 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,1,0,0,0,0|1,0,0]=3 2438 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,1,0,0,0,0|2,0,0]=4 2439 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,1,0,0,0,0|2,0,0]=4 2440 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [1,1,0,0,0,0|1,0,0]=3 2441 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [1,1,0,0,0,0|1,0,0]=3 2442 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,1,0,0,0,0|1,0,0]=3 2443 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [1,1,0,0,0,0|0,0,0]=2 2444 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [1,1,0,0,0,0|1,0,0]=3 2445 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [1,1,0,0,0,0|1,0,0]=3 2446 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [1,1,0,0,0,0|0,0,0]=2 2447 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,1,0,0,0,0|0,0,0]=2 2448 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,1,0,0,0,0|0,0,0]=2 2449 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,1,0,0,0,0|0,0,0]=2 2450 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,1,0,0,0,0|0,0,0]=2 2451 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,1,0,0,0,0|0,0,0]=2 2452 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,1,0,0,0,0|0,0,0]=2 2453 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,1,0,0,0,0|0,1,1]=4 2454 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,1,0,0,0,0|2,0,0]=4 2456 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,1,0,0,0,0|2,0,0]=4 2458 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|1,0,0]=3 2459 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|1,0,1]=4 2460 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|1,0,1]=4 2461 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,1,0,0,0,0|1,0,1]=4 2462 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,1,0,0,0,0|1,0,1]=4 2463 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|1,0,1]=4 2464 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|1,0,1]=4 2465 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|1,0,1]=4 2466 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,1,0,0,0,0|2,0,0]=4 2467 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|1,0,0]=3 2468 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|1,0,1]=4 2469 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|1,0,1]=4 2470 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|1,0,1]=4 2471 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|1,0,1]=4 2472 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|1,0,1]=4 2473 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,1,0,0,0,0|2,0,0]=4 2474 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|2,0,0]=4 2475 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|2,0,0]=4 2476 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|1,1,0]=4 2477 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,1,0,0,0,0|2,0,0]=4 2478 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|2,0,0]=4 2479 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|2,0,0]=4 2480 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|2,0,0]=4 2481 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|2,0,0]=4 2482 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|1,1,0]=4 2483 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,1,0,0,0,0|2,0,0]=4 2484 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,1,0,0,0,0|2,0,0]=4 2485 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,1,0,0,0,0|2,0,0]=4 2486 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|1,1,0]=4 2487 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,1,0,0,0,0|1,0,0]=3 2488 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,1,0,0,0,0|2,0,0]=4 2489 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,1,0,0,0,0|2,0,0]=4 2490 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|1,1,0]=4 2491 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,1,0,0,0,0|1,0,1]=4 2494 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|1,0,1]=4 2495 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|2,0,0]=4 2496 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,1,0,0,0,0|2,0,0]=4 2497 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|2,0,0]=4 2498 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|1,0,0]=3 2499 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,1,0,0,0,0|1,0,1]=4 2500 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,1,0,0,0,0|1,0,1]=4 2501 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|2,0,0]=4 2502 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,1,0,0,0,0|2,0,0]=4 2503 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|2,0,0]=4 2504 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|2,0,0]=4 2505 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|2,0,0]=4 2506 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|2,0,0]=4 2507 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|2,0,0]=4 2508 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,1,0,0,0,0|2,0,0]=4 2509 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|2,0,0]=4 2510 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|2,0,0]=4 2511 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|1,0,0]=3 2512 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|1,0,0]=3 2513 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|1,0,0]=3 2514 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|2,0,0]=4 2515 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|1,0,0]=3 2516 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|2,0,0]=4 2517 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|2,0,0]=4 2518 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|1,0,0]=3 2519 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|1,0,0]=3 2520 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|2,0,0]=4 2521 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,1,0,0,0,0|2,0,0]=4 2522 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|1,0,0]=3 2523 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|1,0,0]=3 2524 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|2,0,0]=4 2525 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|2,0,0]=4 2526 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|1,0,0]=3 2527 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|1,0,0]=3 2528 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|1,1,0]=4 2529 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|0,1,0]=3 2530 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|0,0,2]=4 2531 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|0,0,0]=2 2532 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|2,0,0]=4 2533 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,1,0,0,0,0|2,0,0]=4 2534 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,1,0,0,0,0|2,0,0]=4 2535 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|1,0,0]=3 2536 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|1,0,0]=3 2537 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,1,0,0,0,0|1,0,1]=4 2538 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|2,0,0]=4 2539 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|2,0,0]=4 2540 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|2,0,0]=4 2541 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|1,1,0]=4 2542 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [1,1,0,0,0,0|2,0,0]=4 2543 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|1,1,0]=4 2544 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|1,1,0]=4 2545 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|1,1,0]=4 2546 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|2,0,0]=4 2547 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|2,0,0]=4 2548 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|1,0,0]=3 2549 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|1,0,0]=3 2550 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|1,0,0]=3 2551 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|1,0,0]=3 2552 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [1,1,0,0,0,0|2,0,0]=4 2554 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [1,1,0,0,0,0|2,0,0]=4 2555 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|1,0,0]=3 2556 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|1,0,0]=3 2557 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,0]=3 2558 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,0]=3 2559 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,0]=3 2560 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,0]=3 2561 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|0,1,0]=3 2562 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|0,1,0]=3 2563 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,1,0,0,0,0|2,0,0]=4 2564 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,1,0,0,0,0|2,0,0]=4 2565 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,1,0,0,0,0|2,0,0]=4 2566 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [1,1,0,0,0,0|2,0,0]=4 2567 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [1,1,0,0,0,0|2,0,0]=4 2568 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,1,0,0,0,0|2,0,0]=4 2569 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,1,0,0,0,0|0,1,1]=4 2570 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|1,0,1]=4 2571 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|1,0,0]=3 2572 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|1,0,0]=3 2573 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|0,1,0]=3 2574 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|0,0,0]=2 2575 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|0,1,0]=3 2576 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,0]=3 2577 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,0]=3 2578 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,0]=3 2579 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|0,1,0]=3 2580 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,0]=3 2581 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|0,1,0]=3 2582 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|0,1,1]=4 2583 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|0,1,1]=4 2584 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|0,1,0]=3 2585 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,1,0,0,0,0|1,0,1]=4 2586 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|1,0,1]=4 2587 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,1,0,0,0,0|1,0,1]=4 2588 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|0,1,1]=4 2589 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|2,0,0]=4 2590 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 2591 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|2,0,0]=4 2592 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|2,0,0]=4 2593 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|1,0,0]=3 2594 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|2,0,0]=4 2595 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|2,0,0]=4 2596 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|2,0,0]=4 2598 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|2,0,0]=4 2599 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|1,0,0]=3 2600 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|1,0,0]=3 2601 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|0,1,0]=3 2602 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|0,1,1]=4 2603 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|0,0,0]=2 2604 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|2,0,0]=4 2605 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|2,0,0]=4 2606 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|1,1,0]=4 2607 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|1,0,0]=3 2608 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|1,0,0]=3 2609 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|1,0,0]=3 2610 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|1,0,0]=3 2611 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,1,0]=4 2612 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|1,0,0]=3 2613 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|1,0,0]=3 2614 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|2,0,0]=4 2615 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|2,0,0]=4 2616 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|0,1,1]=4 2617 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,1,0,0,0,0|1,1,0]=4 2618 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,1,0,0,0,0|0,1,1]=4 2619 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,1,0,0,0,0|0,1,1]=4 2620 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|1,0,0]=3 2621 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,1,0,0,0,0|1,1,0]=4 2622 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,1,0,0,0,0|2,0,0]=4 2623 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,1,0,0,0,0|2,0,0]=4 2624 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,1,0,0,0,0|0,1,1]=4 2625 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|2,0,0]=4 2626 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|2,0,0]=4 2627 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|2,0,0]=4 2628 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|2,0,0]=4 2629 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [1,1,0,0,0,0|2,0,0]=4 2630 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [1,1,0,0,0,0|2,0,0]=4 2631 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [1,1,0,0,0,0|2,0,0]=4 2632 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [1,1,0,0,0,0|2,0,0]=4 2633 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [1,1,0,0,0,0|2,0,0]=4 2634 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|1,1,0]=4 2635 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [1,1,0,0,0,0|1,0,0]=3 2636 B7R0.8 O=S(=O)([O-])CCCS MCULE-1959129773 [1,1,0,0,0,0|1,0,1]=4 2637 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,1,0,0,0,1|1,0,0]=3 2638 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,1,0,0,0,1|1,0,0]=3 2639 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,1,0,0,0,1|1,1,0]=4 2640 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,1,0,0,0,1|2,0,0]=4 2641 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,1,0,0,0,1|1,0,0]=3 2642 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,1,0,0,0,1|1,0,0]=3 2643 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,1,0,0,0,1|2,0,0]=4 2644 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,1,0,0,0,1|1,0,0]=3 2645 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,1,0,0,0,1|2,0,0]=4 2646 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,1,0,0,0,1|1,0,0]=3 2647 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,1,0,0,0,1|0,0,0]=2 2648 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,1,0,0,0,1|0,0,0]=2 2649 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,1,0,0,0,1|1,0,0]=3 2650 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,1,0,0,0,1|0,0,0]=2 2651 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,1,0,0,0,1|0,0,0]=2 2652 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,1,0,0,0,1|0,0,0]=2 2653 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,1,0,0,0,1|0,0,0]=2 2654 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,1,0,0,0,1|0,0,0]=2 2655 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,1,0,0,0,1|0,0,0]=2 2656 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,1,0,0,0,1|0,0,0]=2 2657 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,1,0,0,0,1|0,0,0]=2 2658 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,1,0,0,0,1|1,0,0]=3 2659 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,1,0,0,0,1|1,0,0]=3 2660 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,1,0,0,0,1|1,0,0]=3 2661 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,1,0,0,0,1|1,0,0]=3 2662 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,1,0,0,0,1|1,0,0]=3 2663 B9R0.4 [N-]=[N+]=NC[C@@H](N)CC(=O)O MCULE-2831741781 [0,1,0,0,0,1|2,0,0]=4 2664 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,0,0,0,1|2,0,0]=4 2665 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,1,0,0,0,1|2,0,0]=4 2666 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,1,0,0,0,1|2,0,0]=4 2667 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,0,0,0,1|2,0,0]=4 2668 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,1,0,0,0,1|2,0,0]=4 2669 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,1,0,0,0,1|2,0,0]=4 2670 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,1,0,0,0,1|1,0,0]=3 2671 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,1,0,0,0,1|1,0,0]=3 2672 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,1,0,0,0,1|1,0,0]=3 2673 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,1,0,0,0,1|2,0,0]=4 2674 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,1,0,0,0,1|2,0,0]=4 2675 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,1,0,0,0,1|1,0,0]=3 2676 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,1,0,0,0,1|1,0,0]=3 2677 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,1,0,0,0,1|1,0,0]=3 2678 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,1,0,0,0,1|1,0,0]=3 2679 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,1,0,0,0,1|1,0,0]=3 2680 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,1,0,0,0,1|1,0,0]=3 2681 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,1,0,0,0,1|1,0,0]=3 2682 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,1,0,0,0,1|1,0,0]=3 2683 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,1,0,0,0,1|1,0,0]=3 2684 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,1,0,0,0,1|1,0,0]=3 2685 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,1,0,0,0,1|1,0,0]=3 2686 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,1,0,0,0,1|1,0,0]=3 2687 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,1,0,0,0,1|1,1,0]=4 2688 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,1,0,0,0,1|1,1,0]=4 2689 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9776508302 [0,1,0,0,0,1|1,0,1]=4 2690 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9805416518 [0,1,0,0,0,1|1,0,1]=4 2691 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [0,1,0,0,0,1|1,0,0]=3 2692 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [0,1,0,0,0,1|1,0,0]=3 2693 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [0,1,0,0,0,1|2,0,0]=4 2694 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [0,1,0,0,0,1|1,0,0]=3 2695 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [0,1,0,0,0,1|1,0,0]=3 2696 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [0,1,0,0,0,1|1,0,0]=3 2697 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [0,1,0,0,0,1|1,0,0]=3 2698 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [0,1,0,0,0,1|2,0,0]=4 2699 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [0,1,0,0,0,1|2,0,0]=4 2700 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,1,0,0,0,1|2,0,0]=4 2701 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,1,0,0,0,1|1,0,0]=3 2702 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,1,0,0,0,1|1,0,0]=3 2703 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,1,0,0,0,1|1,0,0]=3 2704 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,1,0,0,0,1|2,0,0]=4 2705 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,1,0,0,0,1|1,0,0]=3 2706 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,1,0,0,0,1|1,0,0]=3 2707 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,1,0,0,0,1|1,0,0]=3 2708 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,1,0,0,0,1|1,0,0]=3 2709 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,1,0,0,0,1|1,0,0]=3 2710 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,1,0,0,0,1|1,0,0]=3 2711 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,1,0,0,0,1|1,0,0]=3 2712 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,1,0,0,0,1|1,0,0]=3 2713 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,1|0,1,1]=4 2714 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,1|0,1,1]=4 2715 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,1,0,0,0,1|1,1,0]=4 2716 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,1,0,0,0,1|2,0,0]=4 2717 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,1,0,0,0,1|2,0,0]=4 2718 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,1,0,0,0,1|1,1,0]=4 2719 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,1,0,0,0,1|1,1,0]=4 2720 B9R0.27 CCC(C)C(Cl)C(=O)OC MCULE-4549387192 [0,2,0,0,0,0|2,0,0]=4 2721 B9R0.27 CCC(C)C(N)C(=O)CCl MCULE-4483538140 [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.27 CCC(C)C(N)C(=O)CCl MCULE-8837034349 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-1846968686 [0,2,0,0,0,0|1,0,0]=3 2724 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-3209850544 [0,2,0,0,0,0|1,0,0]=3 2725 B9R0.27 CCC(C)C(O)C(=O)OC MCULE-8434457313 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-5958902036 [0,2,0,0,0,0|2,0,0]=4 2727 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-7272235506 [0,2,0,0,0,0|2,0,0]=4 2728 B9R0.27 CCC(O)C(C)C(=O)OC MCULE-2007143538 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-5533680436 [0,2,0,0,0,0|1,0,0]=3 2730 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-7868747169 [0,2,0,0,0,0|1,0,0]=3 2731 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-9579020209 [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-1729886523 [0,2,0,0,0,0|1,0,0]=3 2733 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-2521314466 [0,2,0,0,0,0|1,0,0]=3 2734 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-5130592222 [0,2,0,0,0,0|1,0,0]=3 2735 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-6653217048 [0,2,0,0,0,0|1,0,0]=3 2736 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-2281100748 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-5249500214 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-6738846261 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-9006274135 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC MCULE-4817137974 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC MCULE-6810748923 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-5150983559 [0,2,0,0,0,0|1,0,0]=3 2743 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-6620651568 [0,2,0,0,0,0|1,0,0]=3 2744 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-7115424543 [0,2,0,0,0,0|1,0,0]=3 2745 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-9658781072 [0,2,0,0,0,0|1,0,0]=3 2746 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr MCULE-2908359031 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,2,0,0,0,0|1,1,0]=4 2748 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,2,0,0,0,0|1,1,0]=4 2749 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,2,0,0,0,0|1,1,0]=4 2750 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,2,0,0,0,0|1,1,0]=4 2751 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,2,0,0,0,0|1,1,0]=4 2752 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,2,0,0,0,0|1,1,0]=4 2753 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,2,0,0,0,0|1,1,0]=4 2754 B9R0.28 CCC(C)C(F)(F)C(=O)O MCULE-8813807658 [0,2,0,0,0,0|2,0,0]=4 2755 B9R0.28 CCC(O)C(F)(F)C(=O)O MCULE-8473962124 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.29 CCC(C)C(NC)C(=O)O MCULE-1957885665 [0,2,0,0,0,0|1,0,0]=3 2757 B9R0.29 CCC(C)C(OC)C(=O)O MCULE-7966384544 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O MCULE-8364477291 [0,2,0,0,0,0|1,0,0]=3 2759 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O MCULE-6136891317 [0,2,0,0,0,0|1,0,0]=3 2760 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-1871065287 [0,2,0,0,0,0|1,0,0]=3 2761 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-3891615565 [0,2,0,0,0,0|1,0,0]=3 2762 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-9489341112 [0,2,0,0,0,0|1,0,0]=3 2763 B9R0.29 [C@H](C)(CC)[C@H](NC)C(=O)O MCULE-1663789159 [0,2,0,0,0,0|1,0,0]=3 2764 B9R0.32 C=CC(C)(C)C(N)C(=O)O MCULE-2556027740 [0,2,0,0,0,0|1,0,1]=4 2765 B9R0.32 CC(C)(CN)C(O)C(=O)O MCULE-1251426662 [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [0,2,0,0,0,0|1,1,0]=4 2767 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [0,2,0,0,0,0|1,1,0]=4 2768 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-2030759346 [0,2,0,0,0,0|1,0,0]=3 2769 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-8756866734 [0,2,0,0,0,0|1,0,0]=3 2770 B9R0.32 CCC(C)(C)C(O)C(=O)O MCULE-6783140520 [0,2,0,0,0,0|2,0,0]=4 2771 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [0,2,0,0,0,0|2,0,0]=4 2772 B9R0.32 COC(C)(C)C(N)C(=O)O MCULE-7291117506 [0,2,0,0,0,0|2,0,0]=4 2773 B9R0.32 COC(C)(C)[C@H](N)C(=O)O MCULE-1351027484 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.41 CCC(CC)C(C)C(=O)O MCULE-8487981910 [0,2,0,0,0,0|2,0,0]=4 2775 B9R0.41 CCC(CC)C(N)C(=O)N MCULE-1437498037 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-5833155408 [0,2,0,0,0,0|1,0,0]=3 2777 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-6712053086 [0,2,0,0,0,0|1,0,0]=3 2778 B9R0.41 CCC(CC)[C@@H](N)C(=O)O MCULE-2731098319 [0,2,0,0,0,0|1,0,0]=3 2779 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-2848963263 [0,2,0,0,0,0|1,0,0]=3 2780 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-7573557331 [0,2,0,0,0,0|1,0,0]=3 2781 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|0,1,1]=4 2782 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|0,1,1]=4 2783 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,2,0,0,0,0|1,0,0]=3 2784 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,2,0,0,0,0|1,0,0]=3 2785 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,2,0,0,0,0|2,0,0]=4 2786 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,2,0,0,0,0|1,0,0]=3 2787 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,2,0,0,0,0|1,0,0]=3 2788 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,2,0,0,0,0|1,0,0]=3 2789 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,2,0,0,0,0|1,0,0]=3 2790 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,2,0,0,0,0|1,0,0]=3 2791 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,2,0,0,0,0|1,0,0]=3 2792 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,2,0,0,0,0|1,0,0]=3 2793 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,2,0,0,0,0|1,0,0]=3 2794 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,2,0,0,0,0|1,0,0]=3 2795 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,2,0,0,0,0|0,1,0]=3 2796 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,2,0,0,0,0|0,1,0]=3 2797 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,2,0,0,0,0|0,1,0]=3 2798 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|0,1,1]=4 2799 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|0,1,1]=4 2800 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,2,0,0,0,0|0,1,0]=3 2801 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,2,0,0,0,0|0,1,0]=3 2802 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,2,0,0,0,0|0,1,1]=4 2803 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|0,1,1]=4 2804 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,2,0,0,0,0|0,1,1]=4 2805 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,2,0,0,0,0|0,1,1]=4 2806 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|0,1,1]=4 2807 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|0,1,1]=4 2808 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,2,0,0,0,0|0,1,0]=3 2809 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,2,0,0,0,0|1,0,0]=3 2810 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,2,0,0,0,0|1,0,0]=3 2811 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [0,2,0,0,0,0|1,0,0]=3 2812 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [0,2,0,0,0,0|1,0,0]=3 2813 B9R0.8 CC#CCC(N)C(=O)OC MCULE-5322994663 [0,2,0,0,0,0|1,0,1]=4 2814 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,2,0,0,0,0|2,0,0]=4 2815 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,2,0,0,0,0|1,0,0]=3 2816 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,2,0,0,0,0|1,0,0]=3 2817 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,2,0,0,0,0|1,0,0]=3 2819 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,2,0,0,0,0|1,0,0]=3 2820 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,2,0,0,0,0|1,0,0]=3 2821 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,2,0,0,0,0|1,0,0]=3 2822 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,2,0,0,0,0|1,0,0]=3 2823 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,2,0,0,0,0|1,0,0]=3 2824 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,2,0,0,0,0|1,0,0]=3 2825 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,2,0,0,0,0|1,0,0]=3 2826 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,2,0,0,0,0|2,0,0]=4 2827 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,2,0,0,0,0|1,0,0]=3 2829 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,2,0,0,0,0|1,0,0]=3 2830 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,2,0,0,0,0|2,0,0]=4 2832 B9R0.8 COC(=O)C(C)NCCF MCULE-3281749935 [0,2,0,0,0,0|2,0,0]=4 2833 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,2,0,0,0,0|1,0,0]=3 2834 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,2,0,0,0,0|0,0,0]=2 2835 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,2,0,0,0,0|0,0,0]=2 2836 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,2,0,0,0,0|2,0,0]=4 2837 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,2,0,0,0,0|1,0,0]=3 2838 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,2,0,0,0,0|1,0,0]=3 2839 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,2,0,0,0,0|1,0,0]=3 2840 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,2,0,0,0,0|1,0,0]=3 2841 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,2,0,0,0,0|1,0,0]=3 2842 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,2,0,0,0,0|0,0,0]=2 2843 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,2,0,0,0,0|0,0,0]=2 2844 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,2,0,0,0,0|0,0,0]=2 2845 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,2,0,0,0,0|0,0,0]=2 2846 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,2,0,0,0,0|1,0,0]=3 2847 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,2,0,0,0,0|1,0,0]=3 2848 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,2,0,0,0,0|1,0,0]=3 2849 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,2,0,0,0,0|1,0,0]=3 2850 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,2,0,0,0,0|0,0,0]=2 2851 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,2,0,0,0,0|0,0,0]=2 2852 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,2,0,0,0,0|0,0,0]=2 2853 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,2,0,0,0,0|0,0,0]=2 2854 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,2,0,0,0,0|0,1,0]=3 2855 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,2,0,0,0,0|0,1,0]=3 2856 B9R0.12 C=CCC(NC)C(=O)OC MCULE-2627043783 [0,2,0,0,0,0|1,0,1]=4 2857 B9R0.12 C=CCC(NC)C(=O)OC MCULE-9141678175 [0,2,0,0,0,0|1,0,1]=4 2858 B9R0.12 CCCC(NC)C(=O)OC MCULE-1157341941 [0,2,0,0,0,0|1,0,0]=3 2859 B9R0.12 CNC(=O)C(CCO)NC MCULE-9412548333 [0,2,0,0,0,0|1,1,0]=4 2860 B9R0.12 CNC(CCN)C(=O)OC MCULE-7848551324 [0,2,0,0,0,0|1,0,0]=3 2861 B9R0.12 CNC(COC)C(=O)OC MCULE-6909479011 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.12 COC(=O)C(CCN)OC MCULE-4716419095 [0,2,0,0,0,0|2,0,0]=4 2863 B9R0.35 C#CCC(N)C(=O)OCC MCULE-8236062299 [0,2,0,0,0,0|1,0,1]=4 2864 B9R0.35 C#CCC(N)C(=O)OCC MCULE-9710001499 [0,2,0,0,0,0|1,0,1]=4 2865 B9R0.35 C=CCC(N)C(=O)OCC MCULE-6988577150 [0,2,0,0,0,0|1,0,1]=4 2866 B9R0.35 C=CCC(N)C(=O)OCC MCULE-9307872655 [0,2,0,0,0,0|1,0,1]=4 2867 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-3595098101 [0,2,0,0,0,0|1,0,1]=4 2868 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-5727134719 [0,2,0,0,0,0|1,0,1]=4 2869 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-5878141476 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.35 C=CC[C@@H](N)C(=O)OCC MCULE-8963760852 [0,2,0,0,0,0|1,0,1]=4 2871 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-1611787862 [0,2,0,0,0,0|1,0,1]=4 2872 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-2812687218 [0,2,0,0,0,0|1,0,1]=4 2873 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-7811335758 [0,2,0,0,0,0|1,0,1]=4 2874 B9R0.35 C=CC[C@H](N)C(=O)OCC MCULE-9759543265 [0,2,0,0,0,0|1,0,1]=4 2875 B9R0.35 CCCC(Br)C(=O)OCC MCULE-1641585625 [0,2,0,0,0,0|2,0,0]=4 2876 B9R0.35 CCCC(C)C(=O)OCC MCULE-6427957662 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.35 CCCC(Cl)C(=O)OCC MCULE-2230642797 [0,2,0,0,0,0|2,0,0]=4 2878 B9R0.35 CCCC(N)C(=O)OCC MCULE-2079160613 [0,2,0,0,0,0|1,0,0]=3 2879 B9R0.35 CCCC(N)C(=O)OCC MCULE-2244229552 [0,2,0,0,0,0|1,0,0]=3 2880 B9R0.35 CCCC(N)C(=O)OCC MCULE-3263328358 [0,2,0,0,0,0|1,0,0]=3 2881 B9R0.35 CCCC(N)C(=O)OCC MCULE-7880644615 [0,2,0,0,0,0|1,0,0]=3 2882 B9R0.35 CCCC(O)C(=O)OCC MCULE-6556101983 [0,2,0,0,0,0|2,0,0]=4 2883 B9R0.35 CCCN(N)C(=O)OCC MCULE-9670705824 [0,2,0,0,0,0|2,0,0]=4 2884 B9R0.35 CCC[C@@H](N)C(=O)OCC MCULE-1531063816 [0,2,0,0,0,0|1,0,0]=3 2885 B9R0.35 CCC[C@@H](N)C(=O)OCC MCULE-7568828812 [0,2,0,0,0,0|1,0,0]=3 2886 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-3035934367 [0,2,0,0,0,0|1,0,0]=3 2887 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-4542516474 [0,2,0,0,0,0|1,0,0]=3 2888 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-6667556654 [0,2,0,0,0,0|1,0,0]=3 2889 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-8895399157 [0,2,0,0,0,0|1,0,0]=3 2890 B9R0.35 CCOC(=O)C(Br)CCBr MCULE-7116141170 [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.35 CCOC(=O)C(N)CCF MCULE-2487544760 [0,2,0,0,0,0|1,0,0]=3 2892 B9R0.35 CCOC(=O)C(N)CCF MCULE-6489878876 [0,2,0,0,0,0|1,0,0]=3 2893 B9R0.35 CCOC(=O)C(N)CSC MCULE-2209633449 [0,2,0,0,0,0|2,0,0]=4 2894 B9R0.35 CCOC(=O)C(N)CSC MCULE-8867028850 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.35 CCOC(=O)[C@@H](N)CSC MCULE-5964178887 [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.35 CCOC(=O)[C@@H](N)CSC MCULE-6298472660 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.60 C=CCC(C)(N)C(=O)OC MCULE-9985053421 [0,2,0,0,0,0|1,0,1]=4 2898 B9R0.60 C=CC[C@@](C)(N)C(=O)OC MCULE-5748038167 [0,2,0,0,0,0|1,0,1]=4 2899 B9R0.60 C=CC[C@](C)(N)C(=O)OC MCULE-8337287647 [0,2,0,0,0,0|1,0,1]=4 2900 B9R0.60 CCCC(C)(N)C(=O)OC MCULE-3420672647 [0,2,0,0,0,0|1,0,0]=3 2901 B9R0.60 CCCC(C)(N)C(=O)OC MCULE-5121628800 [0,2,0,0,0,0|1,0,0]=3 2902 B9R0.60 CCCC(C)(O)C(=O)OC MCULE-6961757561 [0,2,0,0,0,0|2,0,0]=4 2903 B9R0.60 COC(=O)C(C)(C)CCBr MCULE-5231711658 [0,2,0,0,0,0|2,0,0]=4 2904 B9R0.60 COC(=O)C(C)(C)CCN MCULE-2023148799 [0,2,0,0,0,0|2,0,0]=4 2905 B9R0.60 COC(=O)C(C)(C)CCN MCULE-2474943279 [0,2,0,0,0,0|2,0,0]=4 2906 B9R0.60 COC(=O)C(C)(C)CCO MCULE-8244412814 [0,2,0,0,0,0|1,1,0]=4 2907 B9R0.60 COC(=O)C(C)(N)CCF MCULE-3286692679 [0,2,0,0,0,0|1,0,0]=3 2908 B9R0.60 COCC(C)(N)C(=O)OC MCULE-1217021832 [0,2,0,0,0,0|2,0,0]=4 2909 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-7544508587 [0,2,0,0,0,0|1,0,1]=4 2910 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-8202006517 [0,2,0,0,0,0|1,0,1]=4 2911 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [0,2,0,0,0,0|2,0,0]=4 2912 B9R0.3 CSCCC(N)C(C)(C)O MCULE-3424813820 [0,2,0,0,0,0|1,0,1]=4 2913 B9R0.3 CSCCC(N)C(C)(C)O MCULE-8866627958 [0,2,0,0,0,0|1,0,1]=4 2914 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-1314538644 [0,2,0,0,0,0|1,0,1]=4 2915 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-6475773659 [0,2,0,0,0,0|1,0,1]=4 2916 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-7880752352 [0,2,0,0,0,0|1,0,1]=4 2917 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-9319403199 [0,2,0,0,0,0|1,0,1]=4 2918 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-3286830056 [0,2,0,0,0,0|1,0,1]=4 2919 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-4360953563 [0,2,0,0,0,0|1,0,1]=4 2920 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,2,0,0,0,0|0,1,0]=3 2921 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,2,0,0,0,0|1,0,1]=4 2922 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,2,0,0,0,0|1,0,1]=4 2923 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,2,0,0,0,0|1,0,1]=4 2924 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,2,0,0,0,0|0,1,1]=4 2925 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,2,0,0,0,0|0,1,1]=4 2926 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,2,0,0,0,0|0,1,1]=4 2927 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,2,0,0,0,0|0,1,1]=4 2928 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,2,0,0,0,0|0,1,1]=4 2929 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,2,0,0,0,0|0,1,1]=4 2930 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,2,0,0,0,0|0,1,1]=4 2931 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,2,0,0,0,0|0,1,1]=4 2932 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,2,0,0,0,0|0,1,1]=4 2933 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,2,0,0,0,0|0,1,1]=4 2934 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,2,0,0,0,0|0,1,1]=4 2935 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,2,0,0,0,0|0,1,1]=4 2936 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,2,0,0,0,0|0,1,1]=4 2937 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,2,0,0,0,0|0,1,1]=4 2938 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,2,0,0,0,0|0,1,1]=4 2939 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,2,0,0,0,0|0,1,1]=4 2940 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,2,0,0,0,0|2,0,0]=4 2941 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,2,0,0,0,0|2,0,0]=4 2942 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,2,0,0,0,0|1,0,0]=3 2943 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,2,0,0,0,0|1,0,0]=3 2944 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,2,0,0,0,0|1,0,0]=3 2945 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,2,0,0,0,0|1,0,0]=3 2946 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,2,0,0,0,0|1,0,0]=3 2947 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,2,0,0,0,0|1,0,0]=3 2948 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,2,0,0,0,0|1,0,0]=3 2949 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,2,0,0,0,0|1,0,0]=3 2950 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,2,0,0,0,0|1,0,0]=3 2951 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,2,0,0,0,0|2,0,0]=4 2952 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,2,0,0,0,0|1,0,0]=3 2953 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,2,0,0,0,0|1,0,0]=3 2954 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,2,0,0,0,0|1,1,0]=4 2955 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,2,0,0,0,0|1,1,0]=4 2956 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,2,0,0,0,0|2,0,0]=4 2958 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,2,0,0,0,0|1,0,0]=3 2959 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,2,0,0,0,0|1,0,0]=3 2961 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,2,0,0,0,0|1,0,0]=3 2962 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,2,0,0,0,0|0,0,1]=3 2963 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,2,0,0,0,0|0,0,1]=3 2964 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,2,0,0,0,0|0,0,1]=3 2965 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,2,0,0,0,0|0,0,1]=3 2966 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,2,0,0,0,0|0,0,1]=3 2967 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,2,0,0,0,0|0,0,1]=3 2968 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,2,0,0,0,0|1,1,0]=4 2969 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,2,0,0,0,0|1,1,0]=4 2970 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,2,0,0,0,0|1,1,0]=4 2971 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,2,0,0,0,0|1,1,0]=4 2972 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,2,0,0,0,0|0,0,1]=3 2973 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,2,0,0,0,0|0,0,1]=3 2974 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,2,0,0,0,0|0,0,1]=3 2975 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,2,0,0,0,0|0,0,1]=3 2976 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,2,0,0,0,0|0,0,1]=3 2977 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,2,0,0,0,0|0,0,2]=4 2978 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,2,0,0,0,0|0,0,1]=3 2979 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,2,0,0,0,0|0,0,1]=3 2980 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,2,0,0,0,0|0,0,1]=3 2981 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,2,0,0,0,0|0,0,1]=3 2982 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,2,0,0,0,0|0,0,1]=3 2983 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,2,0,0,0,0|0,0,1]=3 2984 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,2,0,0,0,0|0,0,1]=3 2985 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,2,0,0,0,0|0,0,1]=3 2986 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,2,0,0,0,0|0,0,1]=3 2987 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,2,0,0,0,0|1,0,1]=4 2988 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,2,0,0,0,0|1,0,1]=4 2989 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,2,0,0,0,0|1,0,1]=4 2990 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,2,0,0,0,0|1,0,1]=4 2991 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,2,0,0,0,0|1,0,1]=4 2992 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,2,0,0,0,0|1,0,1]=4 2993 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,2,0,0,0,0|1,0,1]=4 2994 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,2,0,0,0,0|1,0,1]=4 2995 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,2,0,0,0,0|1,1,0]=4 2996 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,2,0,0,0,0|1,1,0]=4 2997 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,2,0,0,0,0|0,1,0]=3 2998 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,2,0,0,0,0|1,1,0]=4 2999 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,2,0,0,0,0|1,1,0]=4 3000 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,2,0,0,0,0|1,1,0]=4 3001 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,2,0,0,0,0|1,1,0]=4 3002 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,2,0,0,0,0|0,1,0]=3 3003 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,2,0,0,0,0|0,1,0]=3 3004 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,2,0,0,0,0|1,1,0]=4 3005 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,2,0,0,0,0|1,1,0]=4 3006 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,2,0,0,0,0|1,1,0]=4 3007 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,2,0,0,0,0|1,1,0]=4 3008 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,2,0,0,0,0|0,1,0]=3 3009 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,2,0,0,0,0|0,1,0]=3 3010 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,2,0,0,0,0|0,1,1]=4 3011 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,2,0,0,0,0|0,1,1]=4 3012 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,2,0,0,0,0|0,1,1]=4 3013 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,2,0,0,0,0|0,1,1]=4 3014 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,2,0,0,0,0|0,1,1]=4 3015 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,2,0,0,0,0|0,1,1]=4 3016 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,2,0,0,0,0|1,1,0]=4 3017 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,2,0,0,0,0|1,1,0]=4 3018 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,2,0,0,0,0|1,1,0]=4 3019 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,2,0,0,0,0|1,1,0]=4 3020 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,2,0,0,0,0|1,1,0]=4 3021 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,2,0,0,0,0|1,1,0]=4 3022 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,2,0,0,0,0|0,1,0]=3 3023 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,2,0,0,0,0|0,1,0]=3 3024 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,2,0,0,0,0|0,1,0]=3 3025 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,2,0,0,0,0|0,1,0]=3 3026 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,2,0,0,0,0|0,1,0]=3 3027 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,2,0,0,0,0|0,1,0]=3 3028 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,2,0,0,0,0|0,1,0]=3 3029 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,2,0,0,0,0|0,1,0]=3 3030 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,2,0,0,0,0|0,1,0]=3 3031 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,2,0,0,0,0|0,1,1]=4 3032 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,2,0,0,0,0|0,1,0]=3 3033 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,2,0,0,0,0|0,1,0]=3 3034 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,2,0,0,0,0|0,1,0]=3 3035 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,2,0,0,0,0|0,1,0]=3 3036 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,2,0,0,0,0|1,1,0]=4 3037 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,2,0,0,0,0|1,1,0]=4 3038 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,2,0,0,0,0|1,1,0]=4 3039 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,2,0,0,0,0|1,1,0]=4 3040 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,2,0,0,0,0|1,1,0]=4 3041 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,2,0,0,0,0|1,1,0]=4 3042 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,2,0,0,0,0|1,1,0]=4 3043 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,2,0,0,0,0|1,1,0]=4 3044 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,2,0,0,0,0|0,1,0]=3 3045 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,2,0,0,0,0|1,1,0]=4 3046 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,2,0,0,0,0|0,1,0]=3 3047 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,2,0,0,0,0|0,0,1]=3 3048 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,2,0,0,0,0|1,1,0]=4 3049 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [0,2,0,0,0,0|2,0,0]=4 3050 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,2,0,0,0,0|1,1,0]=4 3051 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [0,2,0,0,0,0|1,1,0]=4 3052 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,2,0,0,0,0|2,0,0]=4 3053 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,2,0,0,0,0|1,0,0]=3 3054 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,2,0,0,0,0|2,0,0]=4 3055 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,2,0,0,0,0|1,0,0]=3 3057 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,2,0,0,0,0|2,0,0]=4 3058 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,2,0,0,0,0|2,0,0]=4 3059 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,2,0,0,0,0|1,0,0]=3 3061 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,2,0,0,0,0|2,0,0]=4 3063 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,2,0,0,0,0|2,0,0]=4 3065 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,2,0,0,0,0|2,0,0]=4 3066 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,2,0,0,0,0|1,0,0]=3 3069 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,2,0,0,0,0|1,0,0]=3 3070 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,2,0,0,0,0|1,0,0]=3 3071 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,2,0,0,0,0|1,0,0]=3 3072 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,2,0,0,0,0|0,0,0]=2 3073 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,2,0,0,0,0|0,0,0]=2 3074 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [0,2,0,0,0,0|0,0,1]=3 3076 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,2,0,0,0,0|0,1,1]=4 3077 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,2,0,0,0,0|0,1,0]=3 3078 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,2,0,0,0,0|1,0,0]=3 3079 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,2,0,0,0,0|1,0,0]=3 3080 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,2,0,0,0,0|1,0,0]=3 3082 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,2,0,0,0,0|1,0,0]=3 3083 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,2,0,0,0,0|0,1,1]=4 3086 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,2,0,0,0,0|0,1,1]=4 3087 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,2,0,0,0,0|0,1,1]=4 3088 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,2,0,0,0,0|0,1,1]=4 3089 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,2,0,0,0,0|0,1,1]=4 3090 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,2,0,0,0,0|0,1,1]=4 3091 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,2,0,0,0,0|0,1,1]=4 3092 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,2,0,0,0,0|0,1,1]=4 3093 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,2,0,0,0,0|0,1,1]=4 3094 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,2,0,0,0,0|0,1,1]=4 3095 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,2,0,0,0,0|0,1,1]=4 3096 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,2,0,0,0,0|0,1,1]=4 3097 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,2,0,0,0,0|0,1,1]=4 3098 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,2,0,0,0,0|0,1,1]=4 3099 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,2,0,0,0,0|0,1,1]=4 3100 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,2,0,0,0,0|0,1,1]=4 3101 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,2,0,0,0,0|0,1,1]=4 3102 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,2,0,0,0,0|1,1,0]=4 3103 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|1,0,0]=3 3104 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|1,0,0]=3 3105 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|0,1,1]=4 3106 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,2,0,0,0,0|1,1,0]=4 3107 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,2,0,0,0,0|1,1,0]=4 3108 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,2,0,0,0,0|1,0,0]=3 3109 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,2,0,0,0,0|1,0,0]=3 3110 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,2,0,0,0,0|1,0,0]=3 3111 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,2,0,0,0,0|1,0,0]=3 3112 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,2,0,0,0,0|1,0,0]=3 3113 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,2,0,0,0,0|1,0,0]=3 3114 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,2,0,0,0,0|1,0,0]=3 3115 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,2,0,0,0,0|1,0,0]=3 3116 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [0,2,0,0,0,0|1,0,1]=4 3117 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,2,0,0,0,0|1,0,0]=3 3118 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,2,0,0,0,0|1,0,0]=3 3119 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,2,0,0,0,0|1,0,0]=3 3120 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,2,0,0,0,0|1,0,0]=3 3121 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,2,0,0,0,0|1,0,0]=3 3122 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,2,0,0,0,0|1,0,0]=3 3123 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,2,0,0,0,0|1,0,0]=3 3124 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,2,0,0,0,0|2,0,0]=4 3125 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,2,0,0,0,0|1,0,0]=3 3127 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,2,0,0,0,0|1,0,0]=3 3128 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,2,0,0,0,0|1,0,0]=3 3129 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,2,0,0,0,0|1,0,0]=3 3130 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,2,0,0,0,0|1,0,0]=3 3131 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,2,0,0,0,0|1,0,0]=3 3132 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,2,0,0,0,0|1,0,0]=3 3133 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,2,0,0,0,0|0,0,0]=2 3134 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.47 CC(NCCC#N)C(=O)O MCULE-7314407236 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [0,2,0,0,0,0|1,0,1]=4 3138 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,2,0,0,0,0|1,0,0]=3 3141 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,2,0,0,0,0|1,0,0]=3 3142 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,2,0,0,0,0|2,0,0]=4 3143 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,2,0,0,0,0|1,0,0]=3 3144 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,2,0,0,0,0|1,0,0]=3 3145 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,2,0,0,0,0|1,0,0]=3 3146 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,2,0,0,0,0|1,0,0]=3 3147 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,2,0,0,0,0|2,0,0]=4 3148 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,2,0,0,0,0|2,0,0]=4 3149 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,2,0,0,0,0|1,0,0]=3 3150 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,2,0,0,0,0|1,0,0]=3 3151 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,2,0,0,0,0|1,0,0]=3 3152 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,2,0,0,0,0|1,0,0]=3 3153 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,2,0,0,0,0|0,0,0]=2 3154 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,2,0,0,0,0|0,0,0]=2 3155 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,2,0,0,0,0|0,0,0]=2 3156 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,2,0,0,0,0|0,0,0]=2 3157 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,2,0,0,0,0|0,1,0]=3 3158 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,2,0,0,0,0|1,1,0]=4 3159 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,2,0,0,0,0|1,1,0]=4 3160 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,2,0,0,0,0|1,1,0]=4 3161 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,2,0,0,0,0|1,1,0]=4 3162 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,2,0,0,0,0|1,0,0]=3 3163 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,2,0,0,0,0|0,0,0]=2 3164 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,2,0,0,0,0|1,0,0]=3 3165 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [0,2,0,0,0,0|1,0,1]=4 3166 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [0,2,0,0,0,0|1,0,1]=4 3167 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,2,0,0,0,0|0,1,0]=3 3168 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,2,0,0,0,0|0,1,0]=3 3169 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,2,0,0,0,0|1,0,0]=3 3170 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,2,0,0,0,0|1,0,0]=3 3171 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,2,0,0,0,0|1,0,0]=3 3172 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,2,0,0,0,0|2,0,0]=4 3173 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,2,0,0,0,0|1,0,0]=3 3175 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,2,0,0,0,0|1,0,0]=3 3176 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,2,0,0,0,0|1,0,0]=3 3177 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,2,0,0,0,0|1,0,0]=3 3178 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,2,0,0,0,0|1,0,0]=3 3179 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,2,0,0,0,0|1,0,0]=3 3180 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,2,0,0,0,0|1,0,0]=3 3181 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,2,0,0,0,0|1,0,0]=3 3182 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,2,0,0,0,0|1,0,0]=3 3183 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,2,0,0,0,0|1,0,0]=3 3188 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,2,0,0,0,0|1,0,0]=3 3189 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,2,0,0,0,0|1,0,0]=3 3190 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,2,0,0,0,0|1,0,0]=3 3191 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,2,0,0,0,0|1,0,0]=3 3194 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,2,0,0,0,0|1,0,0]=3 3195 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,2,0,0,0,0|1,0,0]=3 3196 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,2,0,0,0,0|1,0,0]=3 3198 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,2,0,0,0,0|1,0,1]=4 3199 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,2,0,0,0,0|1,0,0]=3 3200 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,2,0,0,0,0|1,0,0]=3 3201 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,2,0,0,0,0|1,0,0]=3 3202 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,2,0,0,0,0|1,0,0]=3 3203 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,2,0,0,0,0|1,0,0]=3 3204 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,2,0,0,0,0|1,0,0]=3 3205 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,2,0,0,0,0|1,0,0]=3 3206 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,2,0,0,0,0|1,0,0]=3 3207 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,2,0,0,0,0|1,0,0]=3 3208 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,2,0,0,0,0|1,0,0]=3 3209 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,2,0,0,0,0|1,0,0]=3 3210 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,2,0,0,0,0|1,0,0]=3 3211 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,2,0,0,0,0|1,0,0]=3 3212 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,2,0,0,0,0|1,0,0]=3 3213 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,2,0,0,0,0|0,1,0]=3 3214 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,2,0,0,0,0|0,1,0]=3 3215 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,2,0,0,0,0|0,1,0]=3 3216 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,2,0,0,0,0|0,1,0]=3 3217 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,2,0,0,0,0|0,1,0]=3 3218 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,2,0,0,0,0|0,1,0]=3 3219 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,2,0,0,0,0|0,0,0]=2 3220 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,2,0,0,0,0|0,1,0]=3 3221 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,2,0,0,0,0|0,1,0]=3 3222 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,2,0,0,0,0|2,0,0]=4 3223 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,2,0,0,0,0|1,0,0]=3 3224 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,2,0,0,0,0|1,0,0]=3 3225 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,2,0,0,0,0|1,0,0]=3 3226 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,2,0,0,0,0|1,0,0]=3 3228 B9R0.47 [N-]=[N+]=NCC[C@@H]([NH3+])C(=O)O MCULE-9960871536 [0,2,0,0,0,0|1,0,1]=4 3229 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,2,0,0,0,0|1,0,0]=3 3230 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,2,0,0,0,0|1,0,0]=3 3231 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,2,0,0,0,0|1,0,0]=3 3232 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,2,0,0,0,0|1,0,0]=3 3233 B9R0.47 [N-]=[N+]=NCC[C@H](O)C(=O)O MCULE-6077907887 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.47 [N-]=[N+]=NCC[C@H]([NH3+])C(=O)O MCULE-9804764124 [0,2,0,0,0,0|1,0,1]=4 3235 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,2,0,0,0,0|1,0,0]=3 3237 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,2,0,0,0,0|1,0,0]=3 3238 B9R0.51 CC(C)(CCC#N)C(=O)O MCULE-6179801954 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,2,0,0,0,0|1,1,0]=4 3240 B9R0.51 CC(C)(OCCO)C(=O)O MCULE-7350629526 [0,2,0,0,0,0|1,1,0]=4 3241 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,2,0,0,0,0|1,0,0]=3 3242 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,2,0,0,0,0|1,0,0]=3 3243 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,2,0,0,0,0|2,0,0]=4 3244 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,2,0,0,0,0|2,0,0]=4 3245 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,2,0,0,0,0|2,0,0]=4 3246 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,2,0,0,0,0|2,0,0]=4 3247 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [0,2,0,0,0,0|2,0,0]=4 3248 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,2,0,0,0,0|1,1,0]=4 3249 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,2,0,0,0,0|0,1,0]=3 3250 B9R0.11 CC(C)(CC(F)F)C(=O)O MCULE-9712340050 [0,2,0,0,0,0|2,0,0]=4 3251 B9R0.11 CC(C)CC(C)(C)C(=O)O MCULE-1527618443 [0,2,0,0,0,0|2,0,0]=4 3252 B9R0.11 CC(C)CC(C)(F)C(=O)O MCULE-9239880064 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.11 CC(C)CC(C)(N)C(=O)N MCULE-8569516764 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-4257632982 [0,2,0,0,0,0|1,0,0]=3 3255 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-6991659149 [0,2,0,0,0,0|1,0,0]=3 3256 B9R0.11 CC(C)CC(C)(O)C(=O)O MCULE-6600862818 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-4712290479 [0,2,0,0,0,0|1,0,0]=3 3258 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-9085844136 [0,2,0,0,0,0|1,0,0]=3 3259 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-6073129801 [0,2,0,0,0,0|1,0,0]=3 3260 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-7162987343 [0,2,0,0,0,0|1,0,0]=3 3261 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|0,1,1]=4 3262 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|0,1,1]=4 3263 B9R0.11 CN(C)CC(C)(N)C(=O)O MCULE-4857565953 [0,2,0,0,0,0|2,0,0]=4 3264 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|0,1,1]=4 3265 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|0,1,1]=4 3266 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,2,0,0,0,0|0,1,1]=4 3267 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,2,0,0,0,0|0,1,1]=4 3268 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|0,1,1]=4 3269 B9R0.74 CCC(N)(COC)C(=O)O MCULE-1112258412 [0,2,0,0,0,0|2,0,0]=4 3270 B9R0.74 CCC(N)(COC)C(=O)O MCULE-3146530110 [0,2,0,0,0,0|2,0,0]=4 3271 B9R0.74 CCCC(C)(CC)C(=O)O MCULE-2557760328 [0,2,0,0,0,0|2,0,0]=4 3272 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-2758260935 [0,2,0,0,0,0|1,0,0]=3 3273 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-6297600490 [0,2,0,0,0,0|1,0,0]=3 3274 B9R0.74 CNC(C)(COC)C(=O)O MCULE-1951800408 [0,2,0,0,0,0|2,0,0]=4 3275 B9R0.74 CNC(C)(COC)C(=O)O MCULE-6037506715 [0,2,0,0,0,0|2,0,0]=4 3276 B9R0.10 CC(C)CC(N)S(=O)(=O)O MCULE-1533349603 [0,2,0,0,0,0|2,0,0]=4 3277 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O MCULE-4058698477 [0,2,0,0,0,0|2,0,0]=4 3278 B9R0.15 C=CCC(CCC)C(=O)O MCULE-5379398676 [0,2,0,0,0,0|2,0,0]=4 3279 B9R0.15 CCCC(CCC)C(=O)O MCULE-7136317196 [0,2,0,0,0,0|2,0,0]=4 3280 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [0,2,0,0,0,0|1,0,0]=3 3281 B9R0.15 CCCC(OCC)C(=O)O MCULE-7197686501 [0,2,0,0,0,0|2,0,0]=4 3282 B9R0.15 CCNC(CCN)C(=O)N MCULE-3086906812 [0,2,0,0,0,0|2,0,0]=4 3283 B9R0.15 NCCC(CCN)C(=O)O MCULE-3747615668 [0,2,0,0,0,0|1,0,0]=3 3284 B9R0.15 NCCC(CCN)C(=O)O MCULE-8055618051 [0,2,0,0,0,0|1,0,0]=3 3285 B9R0.33 C=CCC(C(=O)O)N(C)C MCULE-4850155708 [0,2,0,0,0,0|1,0,1]=4 3286 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-5177043751 [0,2,0,0,0,0|2,0,0]=4 3287 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-7075545898 [0,2,0,0,0,0|2,0,0]=4 3288 B9R0.33 CCCC(C(=O)N)N(C)C MCULE-4951647411 [0,2,0,0,0,0|2,0,0]=4 3289 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [0,2,0,0,0,0|2,0,0]=4 3290 B9R0.33 CCCC(C(=O)O)C(C)C MCULE-9298455866 [0,2,0,0,0,0|2,0,0]=4 3291 B9R0.33 CCCC(C(=O)O)N(C)C MCULE-1361270877 [0,2,0,0,0,0|1,0,0]=3 3292 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-5821588618 [0,2,0,0,0,0|1,0,0]=3 3293 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-6045614611 [0,2,0,0,0,0|1,0,0]=3 3294 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-3627937276 [0,2,0,0,0,0|1,0,0]=3 3295 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-6264285545 [0,2,0,0,0,0|1,0,0]=3 3296 B9R0.33 CN(C)C(CCN)C(=O)N MCULE-2767580456 [0,2,0,0,0,0|2,0,0]=4 3297 B9R0.33 CN(C)C(CCN)C(=O)O MCULE-8339128470 [0,2,0,0,0,0|1,0,0]=3 3298 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-1062850066 [0,2,0,0,0,0|1,0,0]=3 3299 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-3495896981 [0,2,0,0,0,0|1,0,0]=3 3300 B9R0.33 CN(C)[C@@H](CCO)C(=O)O MCULE-5311348966 [0,2,0,0,0,0|0,1,0]=3 3301 B9R0.33 COCC(C(=O)O)N(C)C MCULE-4810605036 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.33 COCC(C(=O)O)N(C)C MCULE-7502849046 [0,2,0,0,0,0|2,0,0]=4 3303 B9R0.39 CC(C)CC(C#N)C(=O)O MCULE-2645522679 [0,2,0,0,0,0|1,0,1]=4 3304 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,2,0,0,0,0|1,0,0]=3 3305 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,2,0,0,0,0|1,0,0]=3 3306 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,2,0,0,0,0|1,0,0]=3 3307 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,2,0,0,0,0|1,0,0]=3 3308 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,2,0,0,0,0|1,0,0]=3 3309 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,2,0,0,0,0|1,0,0]=3 3311 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [0,2,0,0,0,0|2,0,0]=4 3312 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,2,0,0,0,0|1,0,0]=3 3313 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,2,0,0,0,0|1,0,0]=3 3314 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,2,0,0,0,0|1,0,0]=3 3315 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,2,0,0,0,0|1,0,0]=3 3316 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [0,2,0,0,0,0|2,0,0]=4 3317 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.39 CCC(CC(F)F)C(=O)O MCULE-2440123997 [0,2,0,0,0,0|2,0,0]=4 3319 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|0,1,1]=4 3320 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [0,2,0,0,0,0|1,0,0]=3 3321 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [0,2,0,0,0,0|1,0,0]=3 3322 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,2,0,0,0,0|0,1,1]=4 3323 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|0,1,1]=4 3324 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|0,1,1]=4 3325 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|0,1,1]=4 3326 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-7907533997 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-8591020499 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [0,2,0,0,0,0|1,0,0]=3 3329 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [0,2,0,0,0,0|1,0,0]=3 3330 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [0,2,0,0,0,0|1,0,0]=3 3331 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [0,2,0,0,0,0|1,0,0]=3 3332 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,2,0,0,0,0|0,1,1]=4 3333 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|0,1,1]=4 3334 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|0,1,1]=4 3335 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|0,1,1]=4 3336 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [0,2,0,0,0,0|1,0,0]=3 3337 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [0,2,0,0,0,0|1,0,0]=3 3338 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [0,2,0,0,0,0|1,0,0]=3 3339 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [0,2,0,0,0,0|1,0,0]=3 3340 B9R0.39 COC(CC(C)C)C(=O)O MCULE-4497994493 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|0,1,1]=4 3342 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|0,1,1]=4 3343 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-1846409149 [0,2,0,0,0,0|1,0,0]=3 3344 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6496394437 [0,2,0,0,0,0|1,0,0]=3 3345 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6507277407 [0,2,0,0,0,0|1,0,0]=3 3346 B9R0.57 CC(C)(C)CC(O)C(=O)O MCULE-2158861127 [0,2,0,0,0,0|2,0,0]=4 3347 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-6215032420 [0,2,0,0,0,0|1,0,0]=3 3348 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-8005575699 [0,2,0,0,0,0|1,0,0]=3 3349 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-1515081556 [0,2,0,0,0,0|1,0,0]=3 3350 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-3358775275 [0,2,0,0,0,0|1,0,0]=3 3351 B9R0.57 CC(C)(F)CC(N)C(=O)O MCULE-2499553394 [0,2,0,0,0,0|1,0,0]=3 3352 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-2670827731 [0,2,0,0,0,0|1,0,0]=3 3353 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-7946625431 [0,2,0,0,0,0|1,0,0]=3 3354 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2378112153 [0,2,0,0,0,0|0,1,1]=4 3355 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2969041989 [0,2,0,0,0,0|0,1,1]=4 3356 B9R0.57 CC(CC(C)(C)C)C(=O)O MCULE-1654401215 [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-2497907613 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-7900482158 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.57 CC(CC(F)(F)F)C(=O)O MCULE-6748667600 [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,2,0,0,0,0|1,1,0]=4 3361 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,2,0,0,0,0|1,1,0]=4 3362 B9R0.57 C[C@H](CC(F)(F)F)C(=O)O MCULE-8212277158 [0,2,0,0,0,0|2,0,0]=4 3363 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O MCULE-5057039244 [0,2,0,0,0,0|1,1,0]=4 3364 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-4670432872 [0,2,0,0,0,0|1,0,0]=3 3365 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-7906484739 [0,2,0,0,0,0|1,0,0]=3 3366 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,2,0,0,0,0|1,1,0]=4 3367 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,2,0,0,0,0|1,1,0]=4 3368 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,2,0,0,0,0|1,1,0]=4 3369 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-3474800558 [0,2,0,0,0,0|1,0,0]=3 3370 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-5230934404 [0,2,0,0,0,0|1,0,0]=3 3371 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6065207677 [0,2,0,0,0,0|1,0,0]=3 3372 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6989845390 [0,2,0,0,0,0|1,0,0]=3 3373 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,2,0,0,0,0|1,1,0]=4 3374 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,2,0,0,0,0|1,1,0]=4 3375 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,2,0,0,0,0|1,1,0]=4 3376 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1211212478 [0,2,0,0,0,0|1,0,0]=3 3377 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1864367361 [0,2,0,0,0,0|1,0,0]=3 3378 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-4616647635 [0,2,0,0,0,0|1,0,0]=3 3379 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-6212697927 [0,2,0,0,0,0|1,0,0]=3 3380 B9R0.57 O=C(O)C(Br)CC(F)(F)F MCULE-6413329978 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.57 O=C(O)C(F)CC(F)(F)F MCULE-5090835582 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.57 O=C(O)C(O)CC(F)(F)F MCULE-8723427671 [0,2,0,0,0,0|2,0,0]=4 3383 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [1,0,0,1,0,0|1,0,1]=4 3384 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [1,0,0,1,0,0|2,0,0]=4 3385 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [1,0,0,1,0,0|2,0,0]=4 3386 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,1,0,0|2,0,0]=4 3387 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,0,0,1,0,0|2,0,0]=4 3388 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [1,0,0,1,0,0|2,0,0]=4 3389 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [1,0,0,1,0,0|1,1,0]=4 3390 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [1,0,0,1,0,0|1,0,0]=3 3391 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [1,0,0,1,0,0|1,1,0]=4 3392 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [1,0,0,1,0,0|1,1,0]=4 3393 B7R1.1 OCC1CCCN1 MCULE-1016922679 [1,0,0,1,0,0|1,0,1]=4 3394 B7R1.1 OCC1CCCN1 MCULE-8224535891 [1,0,0,1,0,0|1,0,1]=4 3395 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,0,0,1,0,0|0,1,1]=4 3396 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,0,0,1,0,0|0,1,1]=4 3397 B7R1.1 OCC1CCSC1 MCULE-2226132734 [1,0,0,1,0,0|1,0,1]=4 3398 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [1,0,0,1,0,0|1,0,1]=4 3399 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [1,0,0,1,0,0|1,0,1]=4 3400 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [1,0,0,1,0,0|1,0,1]=4 3401 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [1,0,0,1,0,0|1,0,1]=4 3402 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [1,0,0,1,0,0|1,0,1]=4 3403 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [1,0,0,1,0,0|1,0,1]=4 3404 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [1,0,0,1,0,0|1,0,1]=4 3405 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [1,0,0,1,0,0|1,0,1]=4 3406 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [1,0,0,1,0,0|1,0,1]=4 3407 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [1,0,0,1,0,0|1,0,1]=4 3408 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [1,0,0,1,0,0|1,1,0]=4 3409 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [1,0,0,1,0,0|1,1,0]=4 3410 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [1,0,0,1,0,0|1,1,0]=4 3411 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [1,0,0,1,0,0|1,1,0]=4 3412 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [1,0,0,1,0,0|1,0,1]=4 3413 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [1,0,0,1,0,0|1,0,1]=4 3414 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [1,0,0,1,0,0|2,0,0]=4 3415 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [1,0,0,1,0,0|2,0,0]=4 3416 B7R1.3 NC1CCCOC1 MCULE-3002610862 [1,0,0,1,0,0|1,0,1]=4 3417 B7R1.3 NC1CCCOC1 MCULE-8678558313 [1,0,0,1,0,0|1,0,1]=4 3418 B7R1.3 NC1CCSCC1 MCULE-1077822824 [1,0,0,1,0,0|1,0,1]=4 3419 B7R1.3 NC1CCSCC1 MCULE-7148332202 [1,0,0,1,0,0|1,0,1]=4 3420 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [1,0,0,1,0,0|1,0,1]=4 3421 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [1,0,0,1,0,0|1,0,1]=4 3422 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [1,0,0,1,0,0|1,0,1]=4 3423 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [1,0,0,1,0,0|1,0,1]=4 3424 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [1,0,0,1,0,0|1,0,1]=4 3425 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [1,0,0,1,0,0|1,0,1]=4 3426 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [1,0,0,1,0,0|1,0,1]=4 3427 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [1,0,0,1,0,0|1,0,1]=4 3428 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,0,0,1,0,0|1,0,0]=3 3429 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,0,0,1,0,0|1,0,0]=3 3430 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,0,0,1,0,0|2,0,0]=4 3431 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,0,0,1,0,0|2,0,0]=4 3432 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,0,0,1,0,0|1,1,0]=4 3433 B7R1.4 CC1SCCC1N MCULE-5160182865 [1,0,0,1,0,0|1,0,1]=4 3434 B7R1.4 CC1SCCC1N MCULE-8827106279 [1,0,0,1,0,0|1,0,1]=4 3435 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,0,0,1,0,0|2,0,0]=4 3436 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,0,0,1,0,0|2,0,0]=4 3437 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,0,0,1,0,0|1,0,0]=3 3438 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,0,0,1,0,0|1,0,0]=3 3439 B7R1.4 NC1CCCC1O MCULE-1657591641 [1,0,0,1,0,0|1,0,1]=4 3440 B7R1.4 NC1CCCC1O MCULE-6248992494 [1,0,0,1,0,0|1,0,1]=4 3441 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,0,0,1,0,0|1,0,0]=3 3442 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,0,0,1,0,0|1,0,0]=3 3443 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,0,0,1,0,0|0,1,0]=3 3444 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,0,0,1,0,0|0,1,0]=3 3445 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,0,0,1,0,0|0,1,0]=3 3446 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,0,0,1,0,0|0,1,0]=3 3447 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,0,0,1,0,0|0,1,0]=3 3448 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,0,0,1,0,0|0,1,0]=3 3449 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,0,0,1,0,0|0,0,0]=2 3450 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,0,0,1,0,0|0,0,0]=2 3451 B7R1.4 NC1CONC1=O MCULE-3118867985 [1,0,0,1,0,0|2,0,0]=4 3452 B7R1.4 NC1CONC1=O MCULE-3159218372 [1,0,0,1,0,0|2,0,0]=4 3453 B7R1.4 NN1CCCC1=O MCULE-2994786381 [1,0,0,1,0,0|2,0,0]=4 3454 B7R1.4 NN1CCCC1=O MCULE-5599329775 [1,0,0,1,0,0|2,0,0]=4 3455 B7R1.4 NN1CCNC1=O MCULE-9094725216 [1,0,0,1,0,0|2,0,0]=4 3456 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,0,0,1,0,0|1,1,0]=4 3457 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,0,0,1,0,0|1,1,0]=4 3458 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [1,0,0,1,0,0|1,0,1]=4 3459 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [1,0,0,1,0,0|1,0,1]=4 3460 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [1,0,0,1,0,0|1,0,1]=4 3461 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [1,0,0,1,0,0|1,0,1]=4 3462 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [1,0,0,1,0,0|1,0,1]=4 3463 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [1,0,0,1,0,0|1,0,1]=4 3464 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [1,0,0,1,0,0|1,0,1]=4 3465 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [1,0,0,1,0,0|1,0,1]=4 3466 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [1,0,0,1,0,0|1,0,1]=4 3467 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [1,0,0,1,0,0|1,0,1]=4 3468 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [1,0,0,1,0,0|1,0,1]=4 3469 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,0,0,1,0,0|1,0,0]=3 3470 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,0,0,1,0,0|1,0,0]=3 3471 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,0,0,1,0,0|1,0,0]=3 3472 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,0,0,1,0,0|1,0,0]=3 3473 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,0,0,1,0,0|0,1,0]=3 3474 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,0,0,1,0,0|0,1,0]=3 3475 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,0,0,1,0,0|0,1,0]=3 3476 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,0,0,1,0,0|0,1,0]=3 3477 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,0,0,1,0,0|0,0,0]=2 3478 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,0,0,1,0,0|0,0,0]=2 3479 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,0,0,1,0,0|0,0,0]=2 3480 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,0,0,1,0,0|0,0,0]=2 3481 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [1,0,0,1,0,0|2,0,0]=4 3482 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [1,0,0,1,0,0|2,0,0]=4 3483 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [1,0,0,1,0,0|1,0,1]=4 3484 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [1,0,0,1,0,0|1,0,1]=4 3485 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [1,0,0,1,0,0|1,0,1]=4 3486 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [1,0,0,1,0,0|1,0,1]=4 3487 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [1,0,0,1,0,0|1,0,1]=4 3488 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [1,0,0,1,0,0|1,0,1]=4 3489 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [1,0,0,1,0,0|1,0,1]=4 3490 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [1,0,0,1,0,0|1,0,1]=4 3491 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [1,0,0,1,0,0|1,0,1]=4 3492 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,0,0,1,0,0|1,0,0]=3 3493 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,0,0,1,0,0|1,0,0]=3 3494 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,0,0,1,0,0|1,0,0]=3 3495 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,0,0,1,0,0|1,0,0]=3 3496 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,0,0,1,0,0|0,1,0]=3 3497 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,0,0,1,0,0|0,1,0]=3 3498 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,0,0,1,0,0|0,1,0]=3 3499 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,0,0,1,0,0|0,1,0]=3 3500 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,0,0,1,0,0|0,1,0]=3 3501 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,0,0,1,0,0|0,0,0]=2 3502 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,0,0,1,0,0|0,0,0]=2 3503 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,0,0,1,0,0|0,0,0]=2 3504 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,0,0,1,0,0|0,0,0]=2 3505 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [1,0,0,1,0,0|2,0,0]=4 3506 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [1,0,0,1,0,0|2,0,0]=4 3507 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,0,0,1,0,0|2,0,0]=4 3508 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,0,0,1,0,0|2,0,0]=4 3509 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,0,0,1,0,0|2,0,0]=4 3510 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,0,0,1,0,0|2,0,0]=4 3511 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,0,0,1,0,0|2,0,0]=4 3512 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,0,0,1,0,0|2,0,0]=4 3513 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,0,0,1,0,0|2,0,0]=4 3514 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,0,0,1,0,0|2,0,0]=4 3515 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,0,0,1,0,0|2,0,0]=4 3516 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,0,0,1,0,0|2,0,0]=4 3517 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,0,0,1,0,0|2,0,0]=4 3518 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,0,0,1,0,0|2,0,0]=4 3519 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,0,0,1,0,0|2,0,0]=4 3520 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,0,0,1,0,0|1,1,0]=4 3521 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|1,1,0]=4 3522 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,0,0,1,0,0|1,1,0]=4 3523 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|1,1,0]=4 3524 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|1,1,0]=4 3525 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|1,1,0]=4 3526 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|1,1,0]=4 3527 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,0,0,1,0,0|0,1,1]=4 3528 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [1,0,0,1,0,0|2,0,0]=4 3529 B7R1.22 CC(C=O)C1CC1 MCULE-9307079880 [1,0,0,1,0,0|2,0,0]=4 3530 B7R1.22 NC(CO)C1CC1 MCULE-5154854421 [1,0,0,1,0,0|1,0,1]=4 3531 B7R1.22 NC(CO)C1CC1 MCULE-8775546228 [1,0,0,1,0,0|1,0,1]=4 3532 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5231249344 [1,0,0,1,0,0|1,0,1]=4 3533 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5233980282 [1,0,0,1,0,0|1,0,1]=4 3534 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9664157108 [1,0,0,1,0,0|1,0,1]=4 3535 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9941605288 [1,0,0,1,0,0|1,0,1]=4 3536 B7R1.22 N[C@H](CO)C1CC1 MCULE-3523450080 [1,0,0,1,0,0|1,0,1]=4 3537 B7R1.22 N[C@H](CO)C1CC1 MCULE-6097147899 [1,0,0,1,0,0|1,0,1]=4 3538 B7R1.22 N[C@H](CO)C1CC1 MCULE-9050007019 [1,0,0,1,0,0|1,0,1]=4 3539 B7R1.22 N[C@H](CO)C1CC1 MCULE-9945100855 [1,0,0,1,0,0|1,0,1]=4 3540 B7R1.25 CC1(CCC1)C=O MCULE-9513047998 [1,0,0,1,0,0|2,0,0]=4 3541 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [1,0,0,1,0,0|1,0,1]=4 3542 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [1,0,0,1,0,0|1,0,1]=4 3543 B7R1.25 O=CC1(CCC1)F MCULE-8878080032 [1,0,0,1,0,0|2,0,0]=4 3544 B7R1.27 CC1CC1(C)C=O MCULE-1780701123 [1,0,0,1,0,0|2,0,0]=4 3545 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|2,0,0]=4 3546 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|2,0,0]=4 3547 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|1,0,1]=4 3548 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|2,0,0]=4 3549 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|2,0,0]=4 3550 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,0]=3 3551 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|2,0,0]=4 3552 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,0]=3 3553 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,0]=3 3554 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,0]=3 3555 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,0]=3 3556 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,0]=3 3557 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,0]=3 3558 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,0]=3 3559 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,0]=3 3560 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,0]=3 3561 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|2,0,0]=4 3562 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|2,0,0]=4 3563 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|2,0,0]=4 3564 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|2,0,0]=4 3565 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|2,0,0]=4 3566 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|2,0,0]=4 3567 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|2,0,0]=4 3568 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|2,0,0]=4 3569 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|2,0,0]=4 3570 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|2,0,0]=4 3571 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|2,0,0]=4 3572 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|2,0,0]=4 3573 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|2,0,0]=4 3574 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|2,0,0]=4 3575 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|2,0,0]=4 3576 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|2,0,0]=4 3577 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|2,0,0]=4 3578 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|2,0,0]=4 3579 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|2,0,0]=4 3580 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|2,0,0]=4 3581 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|2,0,0]=4 3582 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|2,0,0]=4 3583 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,0]=3 3584 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|0,0,0]=2 3585 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|2,0,0]=4 3586 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|2,0,0]=4 3587 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|1,0,0]=3 3588 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|1,0,0]=3 3589 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|1,0,0]=3 3590 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|2,0,0]=4 3591 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|1,0,1]=4 3592 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,0]=3 3593 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|0,0,0]=2 3594 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|0,0,0]=2 3595 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|0,0,0]=2 3596 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|1,0,0]=3 3597 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|1,0,0]=3 3598 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 3599 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 3600 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|1,1,0]=4 3601 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|1,0,0]=3 3602 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|0,0,0]=2 3603 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|0,0,0]=2 3604 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|0,0,0]=2 3605 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|0,0,0]=2 3606 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|1,0,0]=3 3607 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|1,0,0]=3 3608 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|0,0,0]=2 3609 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|0,0,0]=2 3610 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|0,0,0]=2 3611 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|0,0,0]=2 3612 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|1,0,0]=3 3613 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|1,0,0]=3 3614 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [1,0,0,1,0,0|2,0,0]=4 3615 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [1,0,0,1,0,0|2,0,0]=4 3616 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [1,0,0,1,0,0|2,0,0]=4 3617 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [1,0,0,1,0,0|2,0,0]=4 3618 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [1,0,0,1,0,0|1,0,0]=3 3619 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [1,0,0,1,0,0|1,0,0]=3 3620 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [1,0,0,1,0,0|1,0,1]=4 3621 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [1,0,0,1,0,0|2,0,0]=4 3622 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [1,0,0,1,0,0|2,0,0]=4 3623 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [1,0,0,1,0,0|1,0,0]=3 3624 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [1,0,0,1,0,0|1,1,0]=4 3625 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [1,0,0,1,0,0|2,0,0]=4 3626 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [1,0,0,1,0,0|2,0,0]=4 3627 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [1,0,0,1,0,0|1,0,0]=3 3628 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [1,0,0,1,0,0|1,0,0]=3 3629 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [1,0,0,1,0,0|2,0,0]=4 3630 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [1,0,0,1,0,0|1,0,0]=3 3631 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [1,0,0,1,0,0|1,0,0]=3 3632 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [1,0,0,1,0,0|0,0,0]=2 3633 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [1,0,0,1,0,0|0,0,0]=2 3634 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [1,0,0,1,0,0|1,0,0]=3 3635 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [1,0,0,1,0,0|1,0,0]=3 3636 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [1,0,0,1,0,0|1,0,0]=3 3637 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [1,0,0,1,0,0|1,0,0]=3 3638 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [1,0,0,1,0,0|1,0,0]=3 3639 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|2,0,0]=4 3640 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|2,0,0]=4 3641 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|1,1,0]=4 3642 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|2,0,0]=4 3643 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|1,0,0]=3 3644 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|0,1,0]=3 3645 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|0,1,0]=3 3646 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,0,0,1,0,1|2,0,0]=4 3647 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,0,0,1,0,1|2,0,0]=4 3648 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [0,0,0,1,0,1|2,0,0]=4 3649 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,0,0,1,0,1|2,0,0]=4 3650 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,0,0,1,0,1|2,0,0]=4 3651 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,0,0,1,0,1|2,0,0]=4 3652 B9R1.7 NCCC1=NC(=O)ON1 MCULE-7683505560 [0,0,0,1,0,1|1,0,1]=4 3653 B9R1.7 NCCC1=NC(=O)ON1 MCULE-9980874270 [0,0,0,1,0,1|1,0,1]=4 3654 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,0,0,1,0,1|1,0,0]=3 3655 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,0,0,1,0,1|1,0,0]=3 3656 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,0,0,1,0,1|2,0,0]=4 3657 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,0,0,1,0,1|2,0,0]=4 3658 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,0,0,1,0,1|2,0,0]=4 3659 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,0,0,1,0,1|2,0,0]=4 3660 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,0,0,1,0,1|2,0,0]=4 3661 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,0,0,1,0,1|2,0,0]=4 3662 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,0,0,1,0,1|2,0,0]=4 3663 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,0,0,1,0,1|2,0,0]=4 3664 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,0,0,1,0,1|2,0,0]=4 3665 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,0,0,1,0,1|1,0,0]=3 3666 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,0,0,1,0,1|1,0,0]=3 3667 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,0,0,1,0,1|2,0,0]=4 3668 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,0,0,1,0,1|2,0,0]=4 3669 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,0,0,1,0,1|2,0,0]=4 3670 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,0,0,1,0,1|1,1,0]=4 3671 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,0,0,1,0,1|1,1,0]=4 3672 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,0,0,1,0,1|1,0,0]=3 3673 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,0,0,1,0,1|1,0,0]=3 3674 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,0,0,1,0,1|1,0,0]=3 3675 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,0,0,1,0,1|1,0,0]=3 3676 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,0,0,1,0,1|2,0,0]=4 3677 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,0,0,1,0,1|2,0,0]=4 3678 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,0,0,1,0,1|2,0,0]=4 3679 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,0,0,1,0,1|2,0,0]=4 3680 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,0,0,1,0,1|2,0,0]=4 3681 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,0,0,1,0,1|1,1,0]=4 3682 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,0,0,1,0,1|1,1,0]=4 3683 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,0,0,1,0,1|1,0,0]=3 3684 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,0,0,1,0,1|1,0,0]=3 3685 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,0,0,1,0,1|1,0,0]=3 3686 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,0,0,1,0,1|1,0,0]=3 3687 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,0,0,1,0,1|2,0,0]=4 3688 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,0,0,1,0,1|2,0,0]=4 3689 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,0,0,1,0,1|2,0,0]=4 3690 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,0,0,1,0,1|2,0,0]=4 3691 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,0,0,1,0,1|1,1,0]=4 3692 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,0,0,1,0,1|1,1,0]=4 3693 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,0,0,1,0,1|1,0,0]=3 3694 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,0,0,1,0,1|1,1,0]=4 3695 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,0,0,1,0,1|1,1,0]=4 3696 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,0,0,1,0,1|1,1,0]=4 3697 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,0,0,1,0,1|1,1,0]=4 3698 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,0,0,1,0,1|2,0,0]=4 3699 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,0,0,1,0,1|2,0,0]=4 3700 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,0,0,1,0,1|2,0,0]=4 3701 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,0,0,1,0,1|2,0,0]=4 3702 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,0,0,1,0,1|2,0,0]=4 3703 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,0,0,1,0,1|2,0,0]=4 3704 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,0,0,1,0,1|1,1,0]=4 3705 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,0,0,1,0,1|2,0,0]=4 3706 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,0,0,1,0,1|2,0,0]=4 3707 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,0,0,1,0,1|2,0,0]=4 3708 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [0,0,0,1,0,1|2,0,0]=4 3709 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [0,0,0,1,0,1|2,0,0]=4 3710 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [0,0,0,1,0,1|2,0,0]=4 3711 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [0,0,0,1,0,1|2,0,0]=4 3712 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [0,0,0,1,0,1|2,0,0]=4 3713 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [0,0,0,1,0,1|2,0,0]=4 3714 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [0,0,0,1,0,1|1,0,1]=4 3715 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,0,0,1,0,1|1,0,0]=3 3716 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,0,0,1,0,1|1,0,0]=3 3717 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,0,0,1,0,1|1,0,0]=3 3718 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,0,0,1,0,1|1,0,0]=3 3719 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,0,0,1,0,1|2,0,0]=4 3720 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,0,0,1,0,1|2,0,0]=4 3721 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,0,0,1,0,1|2,0,0]=4 3722 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,0,0,1,0,1|2,0,0]=4 3723 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,0,0,1,0,1|1,0,0]=3 3724 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,0,0,1,0,1|1,0,0]=3 3725 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,0,0,1,0,1|1,0,0]=3 3726 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,0,0,1,0,1|1,0,0]=3 3727 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,0,0,1,0,1|1,0,0]=3 3728 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,0,0,1,0,1|1,0,0]=3 3729 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,0,0,1,0,1|1,0,0]=3 3730 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,0,0,1,0,1|1,0,0]=3 3731 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,0,0,1,0,1|1,0,0]=3 3732 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,0,0,1,0,1|1,0,0]=3 3733 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,0,0,1,0,1|1,0,0]=3 3734 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,0,0,1,0,1|1,0,0]=3 3735 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,0,0,1,0,1|2,0,0]=4 3736 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,0,0,1,0,1|2,0,0]=4 3737 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,0,0,1,0,1|1,0,0]=3 3738 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,0,0,1,0,1|1,0,0]=3 3739 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,0,0,1,0,1|1,0,0]=3 3740 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,0,0,1,0,1|1,0,0]=3 3741 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,0,0,1,0,1|1,0,0]=3 3742 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,0,0,1,0,1|1,0,0]=3 3743 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,0,0,1,0,1|1,0,0]=3 3744 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,0,0,1,0,1|1,0,0]=3 3745 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,0,0,1,0,1|1,0,0]=3 3746 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,0,0,1,0,1|1,0,0]=3 3747 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,0,0,1,0,1|2,0,0]=4 3748 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,0,0,1,0,1|2,0,0]=4 3749 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,0,0,1,0,1|2,0,0]=4 3750 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,0,0,1,0,1|2,0,0]=4 3751 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,0,0,1,0,1|2,0,0]=4 3752 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,0,0,1,0,1|2,0,0]=4 3753 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,0,0,1,0,1|2,0,0]=4 3754 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,0,0,1,0,1|2,0,0]=4 3755 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,0,0,1,0,1|2,0,0]=4 3756 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,0,0,1,0,1|2,0,0]=4 3757 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,0,0,1,0,1|2,0,0]=4 3758 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,0,0,1,0,1|2,0,0]=4 3759 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,0,0,1,0,1|2,0,0]=4 3760 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,0,0,1,0,1|2,0,0]=4 3761 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,0,0,1,0,1|2,0,0]=4 3762 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,0,0,1,0,1|2,0,0]=4 3763 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,0,0,1,0,1|2,0,0]=4 3764 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,0,0,1,0,1|2,0,0]=4 3765 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,0,0,1,0,1|2,0,0]=4 3766 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,0,0,1,0,1|2,0,0]=4 3767 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,0,0,1,0,1|2,0,0]=4 3768 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,0,0,1,0,1|2,0,0]=4 3769 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,0,0,1,0,1|2,0,0]=4 3770 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,0,0,1,0,1|2,0,0]=4 3771 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,0,0,1,0,1|2,0,0]=4 3772 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,0,0,1,0,1|2,0,0]=4 3773 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,0,0,1,0,1|2,0,0]=4 3774 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,0,0,1,0,1|2,0,0]=4 3775 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,0,0,1,0,1|2,0,0]=4 3776 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,0,0,1,0,1|2,0,0]=4 3777 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,0,0,1,0,1|2,0,0]=4 3778 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,0,0,1,0,1|2,0,0]=4 3779 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,0,0,1,0,1|2,0,0]=4 3780 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,0,0,1,0,1|2,0,0]=4 3781 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,0,0,1,0,1|2,0,0]=4 3782 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,0,0,1,0,1|2,0,0]=4 3783 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,0,0,1,0,1|2,0,0]=4 3784 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,0,0,1,0,1|2,0,0]=4 3785 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,0,0,1,0,1|2,0,0]=4 3786 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,0,0,1,0,1|2,0,0]=4 3787 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,0,0,1,0,1|2,0,0]=4 3788 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,0,0,1,0,1|2,0,0]=4 3789 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,0,0,1,0,1|2,0,0]=4 3790 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,0,0,1,0,1|2,0,0]=4 3791 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,0,0,1,0,1|2,0,0]=4 3792 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,0,0,1,0,1|2,0,0]=4 3793 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,0,0,1,0,1|2,0,0]=4 3794 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,0,0,1,0,1|2,0,0]=4 3795 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,0,0,1,0,1|2,0,0]=4 3796 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,0,0,1,0,1|2,0,0]=4 3797 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,0,0,1,0,1|2,0,0]=4 3798 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,1|0,1,1]=4 3799 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,0,0,1,0,1|2,0,0]=4 3800 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,0,0,1,0,1|2,0,0]=4 3801 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,0,0,1,0,1|2,0,0]=4 3802 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,0,0,1,0,1|2,0,0]=4 3803 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,0,0,1,0,1|2,0,0]=4 3804 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,0,0,1,0,1|2,0,0]=4 3805 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,0,0,1,0,1|2,0,0]=4 3806 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,0,0,1,0,1|1,0,0]=3 3807 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,0,0,1,0,1|1,0,0]=3 3808 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,0,0,1,0,1|1,0,0]=3 3809 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,0,0,1,0,1|2,0,0]=4 3810 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9066660105 [0,0,0,1,0,1|2,0,0]=4 3811 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9947560643 [0,0,0,1,0,1|2,0,0]=4 3812 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,0,0,1,0,1|1,0,0]=3 3813 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,0,0,1,0,1|1,0,0]=3 3814 B9R1.171 NC1(COC1)CC(=O)O MCULE-7347209492 [0,0,0,1,0,1|2,0,0]=4 3815 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,0,0,1,0,1|2,0,0]=4 3816 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,1,0,0|2,0,0]=4 3817 B9R1.3 CN1CCCC(C1=O)N MCULE-3986588144 [0,1,0,1,0,0|2,0,0]=4 3818 B9R1.3 CN1CCCC(C1=O)N MCULE-7149075004 [0,1,0,1,0,0|2,0,0]=4 3819 B9R1.3 CN1CCCC(C1=O)N MCULE-8825003509 [0,1,0,1,0,0|2,0,0]=4 3820 B9R1.3 CN1CCCC(C1=O)N MCULE-8988509393 [0,1,0,1,0,0|2,0,0]=4 3821 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-1758642850 [0,1,0,1,0,0|2,0,0]=4 3822 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-3159461429 [0,1,0,1,0,0|2,0,0]=4 3823 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-7461179322 [0,1,0,1,0,0|2,0,0]=4 3824 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-9831345261 [0,1,0,1,0,0|2,0,0]=4 3825 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-1637263724 [0,1,0,1,0,0|2,0,0]=4 3826 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-4764518735 [0,1,0,1,0,0|2,0,0]=4 3827 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8517113396 [0,1,0,1,0,0|2,0,0]=4 3828 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8710321967 [0,1,0,1,0,0|2,0,0]=4 3829 B9R1.3 NC1CCCN(C1=O)O MCULE-1786572763 [0,1,0,1,0,0|1,0,0]=3 3830 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,1,0,1,0,0|2,0,0]=4 3831 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,1,0,1,0,0|2,0,0]=4 3832 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,1,0,1,0,0|2,0,0]=4 3833 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|1,0,0]=3 3834 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,1,0,1,0,0|1,0,0]=3 3835 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,1,0,1,0,0|1,0,0]=3 3836 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,1,0,1,0,0|1,0,0]=3 3837 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,1,0,1,0,0|1,0,0]=3 3838 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,1,0,1,0,0|1,0,0]=3 3839 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,1,0,1,0,0|1,0,0]=3 3840 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,1,0,0|1,1,0]=4 3841 B9R1.101 COC(=O)C(Cl)C1CC1 MCULE-4883773844 [0,1,0,1,0,0|2,0,0]=4 3842 B9R1.101 COC(=O)C(N)C1CC1 MCULE-2038255981 [0,1,0,1,0,0|1,0,0]=3 3843 B9R1.101 COC(=O)C(N)C1CC1 MCULE-3639110456 [0,1,0,1,0,0|1,0,0]=3 3844 B9R1.101 COC(=O)C(N)C1CC1 MCULE-7214245033 [0,1,0,1,0,0|1,0,0]=3 3845 B9R1.101 COC(=O)C(N)C1CC1 MCULE-9180623373 [0,1,0,1,0,0|1,0,0]=3 3846 B9R1.101 COC(=O)C(O)C1CC1 MCULE-3063472245 [0,1,0,1,0,0|2,0,0]=4 3847 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-5322655268 [0,1,0,1,0,0|1,0,0]=3 3848 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-5602597755 [0,1,0,1,0,0|1,0,0]=3 3849 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-6011007181 [0,1,0,1,0,0|1,0,0]=3 3850 B9R1.101 COC(=O)[C@@H](N)C1CC1 MCULE-9876911123 [0,1,0,1,0,0|1,0,0]=3 3851 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-2678578757 [0,1,0,1,0,0|1,0,0]=3 3852 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-4214324166 [0,1,0,1,0,0|1,0,0]=3 3853 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-4635560514 [0,1,0,1,0,0|1,0,0]=3 3854 B9R1.101 COC(=O)[C@H](N)C1CC1 MCULE-7478160763 [0,1,0,1,0,0|1,0,0]=3 3855 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,1,0,1,0,0|1,0,0]=3 3856 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,1,0,1,0,0|0,1,0]=3 3857 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,1,0,1,0,0|2,0,0]=4 3858 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,1,0,1,0,0|2,0,0]=4 3859 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,1,0,1,0,0|1,1,0]=4 3860 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,1,0,1,0,0|2,0,0]=4 3861 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,1,0,1,0,0|2,0,0]=4 3862 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,1,0,1,0,0|1,1,0]=4 3863 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,1,0,1,0,0|2,0,0]=4 3864 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,1,0,1,0,0|2,0,0]=4 3865 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,1,0,1,0,0|1,0,0]=3 3866 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,1,0,1,0,0|1,0,0]=3 3867 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,1,0,1,0,0|0,1,0]=3 3868 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,1,0,1,0,0|1,0,0]=3 3869 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,1,0,1,0,0|1,0,0]=3 3870 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,1,0,1,0,0|1,0,0]=3 3871 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,1,0,1,0,0|1,0,0]=3 3872 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,1,0,1,0,0|0,1,0]=3 3873 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,1,0,1,0,0|0,1,0]=3 3874 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,1,0,1,0,0|1,0,0]=3 3875 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,1,0,1,0,0|1,0,0]=3 3876 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,1,0,1,0,0|1,0,0]=3 3877 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,1,0,1,0,0|0,1,0]=3 3878 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,1,0,1,0,0|0,1,0]=3 3879 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,1,0,1,0,0|2,0,0]=4 3880 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,1,0,1,0,0|2,0,0]=4 3881 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,1,0,1,0,0|2,0,0]=4 3882 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,1,0,1,0,0|2,0,0]=4 3883 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,1,0,1,0,0|2,0,0]=4 3884 B9R1.111 CC(C(=O)O)C1(CC1)N MCULE-1517881247 [0,1,0,1,0,0|2,0,0]=4 3885 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-6145936175 [0,1,0,1,0,0|1,0,0]=3 3886 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-7535494625 [0,1,0,1,0,0|1,0,0]=3 3887 B9R1.111 CC1(CC1)C(O)C(=O)O MCULE-9368385665 [0,1,0,1,0,0|2,0,0]=4 3888 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-1811208675 [0,1,0,1,0,0|1,0,0]=3 3889 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-7721561513 [0,1,0,1,0,0|1,0,0]=3 3890 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [0,1,0,1,0,0|1,0,0]=3 3891 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [0,1,0,1,0,0|1,0,0]=3 3892 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [0,1,0,1,0,0|1,0,0]=3 3893 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [0,1,0,1,0,0|1,0,0]=3 3894 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-5173033031 [0,1,0,1,0,0|1,0,0]=3 3895 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-8799551410 [0,1,0,1,0,0|1,0,0]=3 3896 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,1,0,1,0,0|2,0,0]=4 3897 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,1,0,1,0,0|2,0,0]=4 3898 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,1,0,1,0,0|2,0,0]=4 3899 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,1,0,1,0,0|2,0,0]=4 3900 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,1,0,1,0,0|2,0,0]=4 3901 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,1,0,1,0,0|2,0,0]=4 3902 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,1,0,1,0,0|2,0,0]=4 3903 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,1,0,1,0,0|2,0,0]=4 3904 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,1,0,1,0,0|2,0,0]=4 3905 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,1,0,1,0,0|2,0,0]=4 3906 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,1,0,1,0,0|2,0,0]=4 3907 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,1,0,1,0,0|2,0,0]=4 3908 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,1,0,1,0,0|2,0,0]=4 3909 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,1,0,1,0,0|2,0,0]=4 3910 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,1,0,1,0,0|2,0,0]=4 3911 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,1,0,1,0,0|2,0,0]=4 3912 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,1,0,1,0,0|2,0,0]=4 3913 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,1,0,1,0,0|2,0,0]=4 3914 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,1,0,1,0,0|2,0,0]=4 3915 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,1,0,1,0,0|2,0,0]=4 3916 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,1,0,1,0,0|2,0,0]=4 3917 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,1,0,1,0,0|2,0,0]=4 3918 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,1,0,1,0,0|2,0,0]=4 3919 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,1,0,1,0,0|2,0,0]=4 3920 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,1,0,1,0,0|2,0,0]=4 3921 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,1,0,1,0,0|2,0,0]=4 3922 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,1,0,1,0,0|2,0,0]=4 3923 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,1,0,1,0,0|2,0,0]=4 3924 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [0,1,0,1,0,0|2,0,0]=4 3925 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [0,1,0,1,0,0|2,0,0]=4 3926 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [0,1,0,1,0,0|2,0,0]=4 3927 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [0,1,0,1,0,0|1,1,0]=4 3928 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [0,1,0,1,0,0|2,0,0]=4 3929 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [0,1,0,1,0,0|2,0,0]=4 3930 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [0,1,0,1,0,0|2,0,0]=4 3931 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [0,1,0,1,0,0|2,0,0]=4 3932 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [0,1,0,1,0,0|2,0,0]=4 3933 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [0,1,0,1,0,0|2,0,0]=4 3934 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [0,1,0,1,0,0|2,0,0]=4 3935 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [0,1,0,1,0,0|2,0,0]=4 3936 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [0,1,0,1,0,0|2,0,0]=4 3937 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [0,1,0,1,0,0|2,0,0]=4 3938 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [0,1,0,1,0,0|2,0,0]=4 3939 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [0,1,0,1,0,0|2,0,0]=4 3940 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [0,1,0,1,0,0|2,0,0]=4 3941 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [0,1,0,1,0,0|2,0,0]=4 3942 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [0,1,0,1,0,0|1,0,0]=3 3943 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [0,1,0,1,0,0|1,0,0]=3 3944 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [0,1,0,1,0,0|1,0,0]=3 3945 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [0,1,0,1,0,0|1,0,0]=3 3946 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [0,1,0,1,0,0|2,0,0]=4 3947 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [0,1,0,1,0,0|2,0,0]=4 3948 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [0,1,0,1,0,0|2,0,0]=4 3949 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [0,1,0,1,0,0|2,0,0]=4 3950 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [0,1,0,1,0,0|2,0,0]=4 3951 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [0,1,0,1,0,0|1,1,0]=4 3952 B9R1.11 COC(=O)C1CSCN1 MCULE-5351052142 [0,1,0,1,0,0|2,0,0]=4 3953 B9R1.11 COC(=O)C1CSCN1 MCULE-9093296447 [0,1,0,1,0,0|2,0,0]=4 3954 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [0,1,0,1,0,0|2,0,0]=4 3955 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [0,1,0,1,0,0|1,0,0]=3 3956 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [0,1,0,1,0,0|1,0,0]=3 3957 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [0,1,0,1,0,0|1,0,0]=3 3958 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [0,1,0,1,0,0|1,0,0]=3 3959 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [0,1,0,1,0,0|2,0,0]=4 3960 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [0,1,0,1,0,0|2,0,0]=4 3961 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [0,1,0,1,0,0|2,0,0]=4 3962 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [0,1,0,1,0,0|2,0,0]=4 3963 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [0,1,0,1,0,0|2,0,0]=4 3964 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [0,1,0,1,0,0|2,0,0]=4 3965 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [0,1,0,1,0,0|1,1,0]=4 3966 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [0,1,0,1,0,0|1,1,0]=4 3967 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-5459284567 [0,1,0,1,0,0|2,0,0]=4 3968 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-6009801924 [0,1,0,1,0,0|2,0,0]=4 3969 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [0,1,0,1,0,0|1,0,0]=3 3970 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [0,1,0,1,0,0|1,0,0]=3 3971 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [0,1,0,1,0,0|1,0,0]=3 3972 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [0,1,0,1,0,0|1,0,0]=3 3973 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [0,1,0,1,0,0|2,0,0]=4 3974 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [0,1,0,1,0,0|2,0,0]=4 3975 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [0,1,0,1,0,0|2,0,0]=4 3976 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [0,1,0,1,0,0|2,0,0]=4 3977 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [0,1,0,1,0,0|2,0,0]=4 3978 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [0,1,0,1,0,0|2,0,0]=4 3979 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [0,1,0,1,0,0|1,1,0]=4 3980 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [0,1,0,1,0,0|1,1,0]=4 3981 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [0,1,0,1,0,0|2,0,0]=4 3982 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [0,1,0,1,0,0|2,0,0]=4 3983 B9R1.15 CCC1CCCOC1=O MCULE-7711682964 [0,1,0,1,0,0|2,0,0]=4 3984 B9R1.15 CNC1CCCCC1=O MCULE-4213094446 [0,1,0,1,0,0|2,0,0]=4 3985 B9R1.15 CNC1CCCCC1=O MCULE-6828302325 [0,1,0,1,0,0|2,0,0]=4 3986 B9R1.15 CNC1CCCNC1=O MCULE-5728861814 [0,1,0,1,0,0|2,0,0]=4 3987 B9R1.15 CNC1CCCNC1=O MCULE-6142186918 [0,1,0,1,0,0|2,0,0]=4 3988 B9R1.15 NCC1CCCNC1=O MCULE-3811327759 [0,1,0,1,0,0|2,0,0]=4 3989 B9R1.15 NCC1CCCNC1=O MCULE-7406524376 [0,1,0,1,0,0|2,0,0]=4 3990 B9R1.33 O=C1OCCC1CCBr MCULE-8450575724 [0,1,0,1,0,0|2,0,0]=4 3991 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,1,0,0|2,0,0]=4 3992 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,1,0,1,0,0|1,1,0]=4 3993 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,1,0,1,0,0|1,1,0]=4 3994 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,1,0,1,0,0|1,1,0]=4 3995 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,1,0,1,0,0|1,1,0]=4 3996 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,1,0,1,0,0|1,1,0]=4 3997 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,1,0,1,0,0|1,1,0]=4 3998 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,1,0,1,0,0|1,1,0]=4 3999 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,1,0,1,0,0|1,1,0]=4 4000 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,1,0,1,0,0|1,1,0]=4 4001 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,1,0,1,0,0|1,1,0]=4 4002 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,1,0,1,0,0|1,1,0]=4 4003 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,1,0,1,0,0|1,1,0]=4 4004 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,1,0,0|1,1,0]=4 4005 B9R1.82 COC(=O)C1CC(C1)Br MCULE-6919888743 [0,1,0,1,0,0|2,0,0]=4 4006 B9R1.82 COC(=O)C1CC(C1)C MCULE-6294133796 [0,1,0,1,0,0|2,0,0]=4 4007 B9R1.82 COC(=O)C1CC(C1)Cl MCULE-6335137966 [0,1,0,1,0,0|2,0,0]=4 4008 B9R1.82 COC(=O)C1CC(C1)F MCULE-7350931097 [0,1,0,1,0,0|2,0,0]=4 4009 B9R1.82 COC(=O)C1CC(C1)I MCULE-7700167011 [0,1,0,1,0,0|2,0,0]=4 4010 B9R1.82 COC(=O)C1CC(C1)N MCULE-6848727495 [0,1,0,1,0,0|2,0,0]=4 4011 B9R1.82 COC(=O)C1CC(C1)N MCULE-7901580981 [0,1,0,1,0,0|2,0,0]=4 4012 B9R1.82 COC(=O)C1CC(C1)O MCULE-3261368737 [0,1,0,1,0,0|1,1,0]=4 4013 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)Br MCULE-9276010203 [0,1,0,1,0,0|2,0,0]=4 4014 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-7126562831 [0,1,0,1,0,0|2,0,0]=4 4015 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-9087679760 [0,1,0,1,0,0|2,0,0]=4 4016 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O MCULE-8119011760 [0,1,0,1,0,0|1,1,0]=4 4017 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-1208738380 [0,1,0,1,0,0|2,0,0]=4 4018 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-4735817474 [0,1,0,1,0,0|2,0,0]=4 4019 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O MCULE-5931352731 [0,1,0,1,0,0|1,1,0]=4 4020 B9R1.88 COC(=O)C1CC1CN MCULE-1236079239 [0,1,0,1,0,0|2,0,0]=4 4021 B9R1.88 COC(=O)C1CC1CN MCULE-4562850748 [0,1,0,1,0,0|2,0,0]=4 4022 B9R1.88 COC(=O)C1CC1CO MCULE-5565427339 [0,1,0,1,0,0|1,1,0]=4 4023 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr MCULE-3300025556 [0,1,0,1,0,0|2,0,0]=4 4024 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-3830996710 [0,1,0,1,0,0|1,1,0]=4 4025 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-8401143479 [0,1,0,1,0,0|1,1,0]=4 4026 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO MCULE-2397945276 [0,1,0,1,0,0|1,1,0]=4 4027 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO MCULE-8447681594 [0,1,0,1,0,0|1,1,0]=4 4028 B9R1.186 COC(=O)C1(CCC1)Br MCULE-8163588898 [0,1,0,1,0,0|2,0,0]=4 4029 B9R1.186 COC(=O)C1(CCC1)C MCULE-4295306660 [0,1,0,1,0,0|2,0,0]=4 4030 B9R1.186 COC(=O)C1(CCC1)N MCULE-4561399895 [0,1,0,1,0,0|1,0,0]=3 4031 B9R1.186 COC(=O)C1(CCC1)N MCULE-6643904748 [0,1,0,1,0,0|1,0,0]=3 4032 B9R1.186 COC(=O)C1(CCC1)O MCULE-9685086952 [0,1,0,1,0,0|2,0,0]=4 4033 B9R1.186 COC(=O)C1(CCN1)C MCULE-7183976970 [0,1,0,1,0,0|2,0,0]=4 4034 B9R1.186 COC(=O)C1(CCN1)C MCULE-7540921007 [0,1,0,1,0,0|2,0,0]=4 4035 B9R1.186 COC(=O)C1(COC1)N MCULE-4240909479 [0,1,0,1,0,0|2,0,0]=4 4036 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-6518097292 [0,1,0,1,0,0|2,0,0]=4 4037 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-7597317458 [0,1,0,1,0,0|2,0,0]=4 4038 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,1,0,1,0,0|2,0,0]=4 4039 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,1,0,1,0,0|2,0,0]=4 4040 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,1,0,1,0,0|2,0,0]=4 4041 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,1,0,1,0,0|1,0,0]=3 4042 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,1,0,1,0,0|1,0,0]=3 4043 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,1,0,1,0,0|1,0,0]=3 4044 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,1,0,1,0,0|1,0,0]=3 4045 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,1,0,1,0,0|1,0,0]=3 4046 B9R1.6 C=C(O)C1CNCCN1 MCULE-4032832858 [0,1,0,1,0,0|2,0,0]=4 4047 B9R1.6 C=C(O)C1CNCCN1 MCULE-7014741917 [0,1,0,1,0,0|2,0,0]=4 4048 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,1,0,1,0,0|2,0,0]=4 4049 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,1,0,1,0,0|2,0,0]=4 4050 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,1,0,1,0,0|2,0,0]=4 4051 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,1,0,1,0,0|2,0,0]=4 4052 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,1,0,1,0,0|2,0,0]=4 4053 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,1,0,1,0,0|2,0,0]=4 4054 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,1,0,1,0,0|2,0,0]=4 4055 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,1,0,1,0,0|2,0,0]=4 4056 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,1,0,1,0,0|2,0,0]=4 4057 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,1,0,1,0,0|2,0,0]=4 4058 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,1,0,1,0,0|2,0,0]=4 4059 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,1,0,1,0,0|2,0,0]=4 4060 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,1,0,1,0,0|2,0,0]=4 4061 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,1,0,1,0,0|2,0,0]=4 4062 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,1,0,1,0,0|2,0,0]=4 4063 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,1,0,1,0,0|2,0,0]=4 4064 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,1,0,1,0,0|2,0,0]=4 4065 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,1,0,1,0,0|2,0,0]=4 4066 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,1,0,1,0,0|2,0,0]=4 4067 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,1,0,1,0,0|2,0,0]=4 4068 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,1,0,1,0,0|2,0,0]=4 4069 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,1,0,1,0,0|2,0,0]=4 4070 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,1,0,1,0,0|2,0,0]=4 4071 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,1,0,1,0,0|2,0,0]=4 4072 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,1,0,1,0,0|2,0,0]=4 4073 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,1,0,1,0,0|2,0,0]=4 4074 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,1,0,1,0,0|2,0,0]=4 4075 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,1,0,1,0,0|2,0,0]=4 4076 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,1,0,1,0,0|2,0,0]=4 4077 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,1,0,1,0,0|2,0,0]=4 4078 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,1,0,1,0,0|2,0,0]=4 4079 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,1,0,1,0,0|2,0,0]=4 4080 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,1,0,1,0,0|2,0,0]=4 4081 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,1,0,1,0,0|2,0,0]=4 4082 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,1,0,1,0,0|2,0,0]=4 4083 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,1,0,1,0,0|2,0,0]=4 4084 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,1,0,1,0,0|2,0,0]=4 4085 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,1,0,1,0,0|2,0,0]=4 4086 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,1,0,1,0,0|2,0,0]=4 4087 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,1,0,1,0,0|1,0,1]=4 4088 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,1,0,1,0,0|1,0,1]=4 4089 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,1,0,1,0,0|2,0,0]=4 4090 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,1,0,1,0,0|2,0,0]=4 4091 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [0,1,0,1,0,0|2,0,0]=4 4092 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,1,0,1,0,0|2,0,0]=4 4093 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,1,0,1,0,0|1,0,0]=3 4094 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,1,0,1,0,0|1,0,0]=3 4095 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,1,0,1,0,0|1,0,0]=3 4096 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,1,0,1,0,0|1,0,0]=3 4097 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,1,0,1,0,0|2,0,0]=4 4098 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,1,0,1,0,0|2,0,0]=4 4099 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,1,0,1,0,0|1,0,0]=3 4100 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,1,0,1,0,0|1,0,0]=3 4101 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,1,0,1,0,0|1,0,0]=3 4102 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,1,0,1,0,0|1,0,0]=3 4103 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,1,0,1,0,0|1,0,0]=3 4104 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,1,0,1,0,0|1,1,0]=4 4105 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,1,0,1,0,0|1,0,0]=3 4106 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,1,0,1,0,0|2,0,0]=4 4107 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,1,0,1,0,0|2,0,0]=4 4108 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,1,0,1,0,0|1,1,0]=4 4109 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,1,0,1,0,0|0,1,0]=3 4110 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,1,0,1,0,0|0,1,0]=3 4111 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,1,0,1,0,0|1,0,0]=3 4112 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,1,0,1,0,0|0,0,0]=2 4113 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,1,0,1,0,0|0,0,0]=2 4114 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,1,0,1,0,0|1,0,0]=3 4115 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,1,0,1,0,0|1,0,0]=3 4116 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,1,0,1,0,0|1,0,0]=3 4117 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,1,0,1,0,0|2,0,0]=4 4118 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,1,0,1,0,0|2,0,0]=4 4119 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,1,0,1,0,0|2,0,0]=4 4120 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,1,0,1,0,0|2,0,0]=4 4121 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,1,0,1,0,0|2,0,0]=4 4122 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,1,0,1,0,0|2,0,0]=4 4123 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,1,0,1,0,0|1,0,0]=3 4124 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,1,0,1,0,0|1,0,0]=3 4125 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,1,0,1,0,0|1,1,0]=4 4126 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,1,0,1,0,0|1,1,0]=4 4127 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [0,1,0,1,0,0|1,1,0]=4 4128 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,1,0,1,0,0|1,0,0]=3 4129 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,1,0,1,0,0|1,0,0]=3 4130 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,1,0,1,0,0|1,0,0]=3 4131 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,1,0,1,0,0|1,0,0]=3 4132 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,1,0,1,0,0|2,0,0]=4 4133 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,1,0,1,0,0|2,0,0]=4 4134 B9R1.6 O=C(O)C1SCSCS1 MCULE-6847986458 [0,1,0,1,0,0|2,0,0]=4 4135 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,1,0,1,0,0|2,0,0]=4 4136 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,1,0,1,0,0|2,0,0]=4 4137 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,1,0,1,0,0|2,0,0]=4 4138 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,1,0,1,0,0|1,0,0]=3 4139 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,1,0,1,0,0|1,0,0]=3 4140 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,1,0,1,0,0|1,0,0]=3 4141 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,1,0,1,0,0|1,0,0]=3 4142 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,1,0,1,0,0|2,0,0]=4 4143 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,1,0,1,0,0|2,0,0]=4 4144 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,1,0,1,0,0|1,0,0]=3 4145 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,1,0,1,0,0|1,0,0]=3 4146 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,1,0,1,0,0|1,0,0]=3 4147 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,1,0,1,0,0|1,0,0]=3 4148 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,1,0,1,0,0|1,0,0]=3 4149 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,1,0,1,0,0|1,0,0]=3 4150 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,1,0,1,0,0|1,0,0]=3 4151 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,1,0,1,0,0|1,1,0]=4 4152 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,1,0,1,0,0|1,1,0]=4 4153 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,1,0,1,0,0|1,0,0]=3 4154 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,1,0,1,0,0|1,0,0]=3 4155 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,1,0,1,0,0|1,0,0]=3 4156 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,1,0,1,0,0|1,0,0]=3 4157 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,1,0,1,0,0|2,0,0]=4 4158 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,1,0,1,0,0|2,0,0]=4 4159 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,1,0,1,0,0|2,0,0]=4 4160 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,1,0,1,0,0|2,0,0]=4 4161 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,1,0,1,0,0|2,0,0]=4 4162 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,1,0,1,0,0|1,0,0]=3 4163 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,1,0,1,0,0|1,0,0]=3 4164 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,1,0,1,0,0|1,0,0]=3 4165 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,1,0,1,0,0|1,0,0]=3 4166 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,1,0,1,0,0|1,1,0]=4 4167 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,1,0,1,0,0|1,1,0]=4 4168 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,1,0,1,0,0|1,0,0]=3 4169 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,1,0,1,0,0|1,0,0]=3 4170 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,1,0,1,0,0|1,0,0]=3 4171 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,1,0,1,0,0|2,0,0]=4 4172 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,1,0,1,0,0|2,0,0]=4 4173 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,1,0,1,0,0|1,0,0]=3 4174 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,1,0,1,0,0|1,0,0]=3 4175 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,1,0,1,0,0|1,0,0]=3 4176 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,1,0,1,0,0|1,0,0]=3 4177 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,1,0,1,0,0|2,0,0]=4 4178 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,1,0,1,0,0|2,0,0]=4 4179 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,1,0,1,0,0|1,0,0]=3 4180 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,1,0,1,0,0|1,0,0]=3 4181 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,1,0,1,0,0|1,0,0]=3 4182 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,1,0,1,0,0|1,0,0]=3 4183 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,1,0,1,0,0|1,0,0]=3 4184 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,1,0,1,0,0|1,0,0]=3 4185 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,1,0,1,0,0|1,1,0]=4 4186 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,1,0,1,0,0|1,1,0]=4 4187 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,1,0,1,0,0|1,0,0]=3 4188 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,1,0,1,0,0|1,0,0]=3 4189 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,1,0,1,0,0|1,0,0]=3 4190 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,1,0,1,0,0|1,0,0]=3 4191 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,1,0,1,0,0|1,0,0]=3 4192 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,1,0,1,0,0|1,0,0]=3 4193 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,1,0,1,0,0|2,0,0]=4 4194 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,1,0,1,0,0|2,0,0]=4 4195 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,1,0,1,0,0|2,0,0]=4 4196 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,1,0,1,0,0|2,0,0]=4 4197 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,1,0,1,0,0|2,0,0]=4 4198 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,1,0,1,0,0|1,0,0]=3 4199 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,1,0,1,0,0|1,0,0]=3 4200 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,1,0,1,0,0|1,0,0]=3 4201 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,1,0,1,0,0|1,0,0]=3 4202 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,1,0,1,0,0|1,1,0]=4 4203 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,1,0,1,0,0|1,1,0]=4 4204 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,1,0,1,0,0|1,0,0]=3 4205 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,1,0,1,0,0|1,0,0]=3 4206 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,1,0,1,0,0|1,0,0]=3 4207 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,1,0,1,0,0|1,0,1]=4 4208 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,1,0,1,0,0|1,0,0]=3 4209 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,1,0,1,0,0|1,1,0]=4 4210 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,1,0,1,0,0|1,1,0]=4 4211 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,1,0,1,0,0|2,0,0]=4 4212 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,1,0,1,0,0|2,0,0]=4 4213 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,1,0,1,0,0|2,0,0]=4 4214 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,1,0,1,0,0|1,0,1]=4 4215 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,1,0,1,0,0|1,0,1]=4 4216 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,1,0,1,0,0|1,1,0]=4 4217 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,1,0,1,0,0|2,0,0]=4 4218 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,1,0,1,0,0|1,0,0]=3 4219 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,1,0,1,0,0|1,0,0]=3 4220 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,1,0,1,0,0|2,0,0]=4 4221 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,1,0,1,0,0|1,0,0]=3 4222 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,1,0,1,0,0|1,0,0]=3 4223 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,1,0,1,0,0|2,0,0]=4 4224 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,1,0,1,0,0|1,0,0]=3 4225 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,1,0,1,0,0|1,0,0]=3 4226 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,1,0,1,0,0|2,0,0]=4 4227 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,1,0,1,0,0|2,0,0]=4 4228 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,1,0,1,0,0|2,0,0]=4 4229 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,1,0,1,0,0|2,0,0]=4 4230 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,1,0,1,0,0|2,0,0]=4 4231 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,1,0,1,0,0|2,0,0]=4 4232 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,1,0,1,0,0|2,0,0]=4 4233 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,1,0,1,0,0|2,0,0]=4 4234 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,1,0,1,0,0|1,0,0]=3 4235 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,1,0,1,0,0|1,0,0]=3 4236 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,1,0,1,0,0|2,0,0]=4 4237 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,1,0,1,0,0|2,0,0]=4 4238 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,1,0,1,0,0|1,0,0]=3 4239 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,1,0,1,0,0|1,0,0]=3 4240 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,1,0,1,0,0|1,0,0]=3 4241 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,1,0,1,0,0|1,0,0]=3 4242 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,1,0,1,0,0|1,0,0]=3 4243 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,1,0,1,0,0|1,0,0]=3 4244 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,1,0,1,0,0|1,0,0]=3 4245 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,1,0,1,0,0|1,0,0]=3 4246 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,1,0,1,0,0|1,0,0]=3 4247 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,1,0,1,0,0|1,0,0]=3 4248 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,1,0,1,0,0|1,0,0]=3 4249 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,1,0,1,0,0|1,0,0]=3 4250 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,1,0,1,0,0|1,0,0]=3 4251 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,1,0,1,0,0|1,0,0]=3 4252 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,1,0,1,0,0|1,0,0]=3 4253 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,1,0,1,0,0|1,0,0]=3 4254 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,1,0,1,0,0|1,0,0]=3 4255 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,1,0,1,0,0|1,0,0]=3 4256 B9R1.35 NC(=O)C1CC(CN1)F MCULE-8271084148 [0,1,0,1,0,0|2,0,0]=4 4257 B9R1.35 NC(=O)C1CC(CN1)F MCULE-9864087367 [0,1,0,1,0,0|2,0,0]=4 4258 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,1,0,1,0,0|1,1,0]=4 4259 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,1,0,1,0,0|1,1,0]=4 4260 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,1,0,1,0,0|1,1,0]=4 4261 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,1,0,1,0,0|1,1,0]=4 4262 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,1,0,1,0,0|1,1,0]=4 4263 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-1115995515 [0,1,0,1,0,0|2,0,0]=4 4264 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-3958905536 [0,1,0,1,0,0|2,0,0]=4 4265 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-5421731805 [0,1,0,1,0,0|2,0,0]=4 4266 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-9864372515 [0,1,0,1,0,0|2,0,0]=4 4267 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,1,0,1,0,0|1,1,0]=4 4268 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,1,0,1,0,0|1,1,0]=4 4269 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2111867079 [0,1,0,1,0,0|2,0,0]=4 4270 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2486268743 [0,1,0,1,0,0|2,0,0]=4 4271 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-8625619596 [0,1,0,1,0,0|2,0,0]=4 4272 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,1,0,1,0,0|1,1,0]=4 4273 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,1,0,1,0,0|1,1,0]=4 4274 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,1,0,1,0,0|1,1,0]=4 4275 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,1,0,1,0,0|1,1,0]=4 4276 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,1,0,1,0,0|1,1,0]=4 4277 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,1,0,1,0,0|1,1,0]=4 4278 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,1,0,1,0,0|1,1,0]=4 4279 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,1,0,1,0,0|1,1,0]=4 4280 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [0,1,0,1,0,0|2,0,0]=4 4281 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [0,1,0,1,0,0|2,0,0]=4 4282 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,1,0,1,0,0|2,0,0]=4 4283 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,1,0,1,0,0|2,0,0]=4 4284 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,1,0,1,0,0|1,0,0]=3 4285 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,1,0,1,0,0|1,0,0]=3 4286 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [0,1,0,1,0,0|2,0,0]=4 4287 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [0,1,0,1,0,0|2,0,0]=4 4288 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [0,1,0,1,0,0|2,0,0]=4 4289 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [0,1,0,1,0,0|2,0,0]=4 4290 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,1,0,1,0,0|2,0,0]=4 4291 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,1,0,1,0,0|2,0,0]=4 4292 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,1,0,1,0,0|2,0,0]=4 4293 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,1,0,1,0,0|2,0,0]=4 4294 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,1,0,1,0,0|2,0,0]=4 4295 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,1,0,1,0,0|2,0,0]=4 4296 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,1,0,1,0,0|2,0,0]=4 4297 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,1,0,1,0,0|2,0,0]=4 4298 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,1,0,1,0,0|1,0,0]=3 4299 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,1,0,1,0,0|1,0,0]=3 4300 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,1,0,1,0,0|1,0,0]=3 4301 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,1,0,1,0,0|1,0,0]=3 4302 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,1,0,1,0,0|1,0,0]=3 4303 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,1,0,1,0,0|1,0,0]=3 4304 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,1,0,1,0,0|1,0,0]=3 4305 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,1,0,1,0,0|1,0,0]=3 4306 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [0,1,0,1,0,0|2,0,0]=4 4307 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [0,1,0,1,0,0|2,0,0]=4 4308 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [0,1,0,1,0,0|2,0,0]=4 4309 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [0,1,0,1,0,0|2,0,0]=4 4310 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [0,1,0,1,0,0|2,0,0]=4 4311 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [0,1,0,1,0,0|2,0,0]=4 4312 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [0,1,0,1,0,0|2,0,0]=4 4313 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [0,1,0,1,0,0|2,0,0]=4 4314 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [0,1,0,1,0,0|2,0,0]=4 4315 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,1,0,1,0,0|2,0,0]=4 4316 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,1,0,1,0,0|2,0,0]=4 4317 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,1,0,1,0,0|2,0,0]=4 4318 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,1,0,1,0,0|2,0,0]=4 4319 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,1,0,1,0,0|2,0,0]=4 4320 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,1,0,1,0,0|2,0,0]=4 4321 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,1,0,1,0,0|2,0,0]=4 4322 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,1,0,1,0,0|2,0,0]=4 4323 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,1,0,1,0,0|2,0,0]=4 4324 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,1,0,1,0,0|2,0,0]=4 4325 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,1,0,1,0,0|1,0,0]=3 4326 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,1,0,1,0,0|1,0,0]=3 4327 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,1,0,1,0,0|1,0,0]=3 4328 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,1,0,1,0,0|1,0,0]=3 4329 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,1,0,1,0,0|1,0,0]=3 4330 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,1,0,1,0,0|1,0,0]=3 4331 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,1,0,1,0,0|1,0,0]=3 4332 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,1,0,1,0,0|1,0,0]=3 4333 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,1,0,1,0,0|1,0,0]=3 4334 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,1,0,1,0,0|1,0,0]=3 4335 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,1,0,1,0,0|1,0,0]=3 4336 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,1,0,1,0,0|1,0,0]=3 4337 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,1,0,1,0,0|0,1,0]=3 4338 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,1,0,1,0,0|0,1,0]=3 4339 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,1,0,1,0,0|0,0,0]=2 4340 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,1,0,1,0,0|0,0,0]=2 4341 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,1,0,1,0,0|2,0,0]=4 4342 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,1,0,1,0,0|2,0,0]=4 4343 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,1,0,1,0,0|1,1,0]=4 4344 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,1,0,1,0,0|0,0,2]=4 4345 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,1,0,1,0,0|1,1,0]=4 4346 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,1,0,1,0,0|0,1,0]=3 4347 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,1,0,1,0,0|0,0,0]=2 4348 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,1,0,1,0,0|0,0,0]=2 4349 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,1,0,1,0,0|1,1,0]=4 4350 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,1,0,1,0,0|1,1,0]=4 4351 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,1,0,1,0,0|1,1,0]=4 4352 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,1,0,1,0,0|0,0,2]=4 4353 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,1,0,1,0,0|0,0,2]=4 4354 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,1,0,1,0,0|1,0,0]=3 4355 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,1,0,1,0,0|1,0,0]=3 4356 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,1,0,1,0,0|1,0,0]=3 4357 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,1,0,1,0,0|1,0,0]=3 4358 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,1,0,1,0,0|1,0,0]=3 4359 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,1,0,1,0,0|1,0,0]=3 4360 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,1,0,1,0,0|0,1,0]=3 4361 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,1,0,1,0,0|0,1,0]=3 4362 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,1,0,1,0,0|0,1,0]=3 4363 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,1,0,1,0,0|0,1,0]=3 4364 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,1,0,1,0,0|0,1,0]=3 4365 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,1,0,1,0,0|0,0,0]=2 4366 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,1,0,1,0,0|0,0,0]=2 4367 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,1,0,1,0,0|0,0,0]=2 4368 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,1,0,1,0,0|0,0,0]=2 4369 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,1,0,1,0,0|1,0,0]=3 4370 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,1,0,1,0,0|1,0,0]=3 4371 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,1,0,1,0,0|1,0,0]=3 4372 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,1,0,1,0,0|1,0,0]=3 4373 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,1,0,1,0,0|0,1,0]=3 4374 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,1,0,1,0,0|0,1,0]=3 4375 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,1,0,1,0,0|0,1,0]=3 4376 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,1,0,1,0,0|0,1,0]=3 4377 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,1,0,1,0,0|0,0,0]=2 4378 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,1,0,1,0,0|0,0,0]=2 4379 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,1,0,1,0,0|0,0,0]=2 4380 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,1,0,1,0,0|0,0,0]=2 4381 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,1,0,1,0,0|0,0,0]=2 4382 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,1,0,1,0,0|0,0,0]=2 4383 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,1,0,1,0,0|1,1,0]=4 4384 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,1,0,1,0,0|1,1,0]=4 4385 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,1,0,1,0,0|1,1,0]=4 4386 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,1,0,1,0,0|1,0,0]=3 4387 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,1,0,1,0,0|1,0,0]=3 4388 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,1,0,1,0,0|1,0,0]=3 4389 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,1,0,1,0,0|0,1,0]=3 4390 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,1,0,1,0,0|0,1,0]=3 4391 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,1,0,1,0,0|0,1,0]=3 4392 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,1,0,1,0,0|0,1,0]=3 4393 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,1,0,1,0,0|0,1,0]=3 4394 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,1,0,1,0,0|1,0,0]=3 4395 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,1,0,1,0,0|1,0,0]=3 4396 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,1,0,1,0,0|1,0,0]=3 4397 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,1,0,1,0,0|1,0,0]=3 4398 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,1,0,1,0,0|0,1,0]=3 4399 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,1,0,1,0,0|0,1,0]=3 4400 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,1,0,1,0,0|0,1,0]=3 4401 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,1,0,1,0,0|0,1,0]=3 4402 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,1,0,1,0,0|0,1,1]=4 4403 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,1,0,1,0,0|1,0,1]=4 4404 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,1,0,1,0,0|0,1,1]=4 4405 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,1,0,1,0,0|1,1,0]=4 4406 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,1,0,1,0,0|1,1,0]=4 4407 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,1,0,1,0,0|0,1,0]=3 4408 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,1,0,1,0,0|0,1,0]=3 4409 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,1,0,1,0,0|0,1,1]=4 4410 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,1,0,1,0,0|1,1,0]=4 4411 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,1,0,1,0,0|1,1,0]=4 4412 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,1,0,1,0,0|1,1,0]=4 4413 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,1,0,1,0,0|1,1,0]=4 4414 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,1,0,1,0,0|0,1,0]=3 4415 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,1,0,1,0,0|0,1,0]=3 4416 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,1,0,1,0,0|1,1,0]=4 4417 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,1,0,1,0,0|1,1,0]=4 4418 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,1,0,1,0,0|1,1,0]=4 4419 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,1,0,1,0,0|1,1,0]=4 4420 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,1,0,1,0,0|0,1,0]=3 4421 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,1,0,1,0,0|0,1,0]=3 4422 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,1,0,1,0,0|0,1,0]=3 4423 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,1,0,1,0,0|0,1,1]=4 4424 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,1,0,1,0,0|0,1,1]=4 4425 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,1,0,1,0,0|1,1,0]=4 4426 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,1,0,1,0,0|1,1,0]=4 4427 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,1,0,1,0,0|1,1,0]=4 4428 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,1,0,1,0,0|0,1,1]=4 4429 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,1,0,1,0,0|0,1,1]=4 4430 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,1,0,1,0,0|0,1,1]=4 4431 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,1,0,1,0,0|0,1,1]=4 4432 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,1,0,1,0,0|0,1,1]=4 4433 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,1,0,1,0,0|0,1,1]=4 4434 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,1,0,1,0,0|0,1,1]=4 4435 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,1,0,1,0,0|0,1,1]=4 4436 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,1,0,1,0,0|0,1,1]=4 4437 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,1,0,1,0,0|0,1,1]=4 4438 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,1,0,1,0,0|0,1,1]=4 4439 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,1,0,1,0,0|0,1,1]=4 4440 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,1,0,1,0,0|0,1,1]=4 4441 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,1,0,1,0,0|0,1,1]=4 4442 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,1,0,1,0,0|0,1,1]=4 4443 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,1,0,1,0,0|0,1,1]=4 4444 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,1,0,1,0,0|0,1,1]=4 4445 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,1,0,1,0,0|0,1,1]=4 4446 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,1,0,1,0,0|0,1,1]=4 4447 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,1,0,1,0,0|0,1,1]=4 4448 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,1,0,1,0,0|0,1,1]=4 4449 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,1,0,1,0,0|0,1,1]=4 4450 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,1,0,1,0,0|0,1,1]=4 4451 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,1,0,1,0,0|0,1,1]=4 4452 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,1,0,1,0,0|0,1,1]=4 4453 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,1,0,1,0,0|0,1,1]=4 4454 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,1,0,1,0,0|0,1,0]=3 4455 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,1,0,1,0,0|2,0,0]=4 4456 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,1,0,1,0,0|2,0,0]=4 4457 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2355223336 [0,1,0,1,0,0|2,0,0]=4 4458 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2483830451 [0,1,0,1,0,0|2,0,0]=4 4459 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,1,0,1,0,0|1,0,0]=3 4460 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,1,0,1,0,0|1,0,0]=3 4461 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,1,0,1,0,0|0,0,0]=2 4462 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,1,0,1,0,0|1,0,0]=3 4463 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,1,0,1,0,0|1,0,0]=3 4464 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,1,0,1,0,0|0,1,0]=3 4465 B9R1.40 CC1(CCCNC1=O)N MCULE-5500513283 [0,1,0,1,0,0|2,0,0]=4 4466 B9R1.40 CC1(CCCNC1=O)N MCULE-5995809623 [0,1,0,1,0,0|2,0,0]=4 4467 B9R1.40 CC1(CCCOC1=O)C MCULE-9200729474 [0,1,0,1,0,0|2,0,0]=4 4468 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,1,0,1,0,0|2,0,0]=4 4469 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,1,0,1,0,0|2,0,0]=4 4470 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,1,0,1,0,0|2,0,0]=4 4471 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,1,0,1,0,0|2,0,0]=4 4472 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,1,0,1,0,0|2,0,0]=4 4473 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,1,0,1,0,0|1,1,0]=4 4474 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,1,0,1,0,0|1,1,0]=4 4475 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,1,0,1,0,0|1,1,0]=4 4476 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,1,0,1,0,0|2,0,0]=4 4477 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,1,0,1,0,0|2,0,0]=4 4478 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,1,0,1,0,0|2,0,0]=4 4479 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,1,0,1,0,0|2,0,0]=4 4480 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,1,0,1,0,0|2,0,0]=4 4481 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,1,0,1,0,0|2,0,0]=4 4482 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,1,0,1,0,0|2,0,0]=4 4483 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,1,0,1,0,0|1,1,0]=4 4484 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,1,0,1,0,0|1,1,0]=4 4485 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,1,0,1,0,0|1,1,0]=4 4486 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,1,0,1,0,0|2,0,0]=4 4487 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,1,0,1,0,0|2,0,0]=4 4488 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,1,0,1,0,0|2,0,0]=4 4489 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,1,0,1,0,0|2,0,0]=4 4490 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,1,0,1,0,0|2,0,0]=4 4491 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,1,0,1,0,0|2,0,0]=4 4492 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,1,0,1,0,0|2,0,0]=4 4493 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,1,0,1,0,0|2,0,0]=4 4494 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,1,0,1,0,0|1,0,0]=3 4495 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,1,0,1,0,0|1,0,0]=3 4496 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,1,0,1,0,0|1,0,0]=3 4497 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,1,0,1,0,0|1,0,0]=3 4498 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,1,0,1,0,0|1,0,0]=3 4499 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,1,0,1,0,0|1,0,0]=3 4500 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,1,0,1,0,0|1,0,0]=3 4501 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,1,0,1,0,0|2,0,0]=4 4502 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,1,0,1,0,0|2,0,0]=4 4503 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,1,0,1,0,0|2,0,0]=4 4504 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,1,0,1,0,0|2,0,0]=4 4505 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,1,0,1,0,0|2,0,0]=4 4506 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,1,0,1,0,0|2,0,0]=4 4507 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,1,0,1,0,0|2,0,0]=4 4508 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,1,0,1,0,0|2,0,0]=4 4509 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [0,1,0,1,0,0|2,0,0]=4 4510 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [0,1,0,1,0,0|2,0,0]=4 4511 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [0,1,0,1,0,0|2,0,0]=4 4512 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,1,0,1,0,0|1,0,0]=3 4513 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,1,0,1,0,0|1,0,0]=3 4514 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,1,0,1,0,0|1,0,0]=3 4515 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,1,0,1,0,0|1,0,0]=3 4516 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,1,0,1,0,0|1,0,0]=3 4517 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,1,0,1,0,0|1,1,0]=4 4518 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,1,0,1,0,0|1,0,0]=3 4519 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,1,0,1,0,0|2,0,0]=4 4520 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,1,0,1,0,0|2,0,0]=4 4521 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,1,0,1,0,0|1,1,0]=4 4522 B9R1.163 CC1(CSSC1)C(=O)O MCULE-1267186189 [0,1,0,1,0,0|2,0,0]=4 4523 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,1,0,1,0,0|1,0,0]=3 4524 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,1,0,1,0,0|1,1,0]=4 4525 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,1,0,1,0,0|1,0,0]=3 4526 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,1,0,1,0,0|1,0,0]=3 4527 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,1,0,1,0,0|1,0,0]=3 4528 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,1,0,1,0,0|1,0,0]=3 4529 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,1,0,1,0,0|1,1,0]=4 4530 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,1,0,1,0,0|2,0,0]=4 4531 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,1,0,1,0,0|2,0,0]=4 4532 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,1,0,1,0,0|1,1,0]=4 4533 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [0,1,0,1,0,0|2,0,0]=4 4534 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [0,1,0,1,0,0|2,0,0]=4 4535 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [0,1,0,1,0,0|2,0,0]=4 4536 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,1,0,1,0,0|1,0,0]=3 4537 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,1,0,1,0,0|1,0,0]=3 4538 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,1,0,1,0,0|1,0,0]=3 4539 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,1,0,1,0,0|1,0,0]=3 4540 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,1,0,1,0,0|1,1,0]=4 4541 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,1,0,1,0,0|2,0,0]=4 4542 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,1,0,1,0,0|2,0,0]=4 4543 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,1,0,1,0,0|2,0,0]=4 4544 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,1,0,1,0,0|2,0,0]=4 4545 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [0,1,0,1,0,0|1,0,0]=3 4546 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,1,0,1,0,0|2,0,0]=4 4547 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [0,1,0,1,0,0|1,0,1]=4 4548 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [0,1,0,1,0,0|1,0,1]=4 4549 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,1,0,1,0,0|1,0,0]=3 4550 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,1,0,1,0,0|1,0,0]=3 4551 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,1,0,1,0,0|0,1,0]=3 4552 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,1,0,1,0,0|0,1,0]=3 4553 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,1,0,1,0,0|0,1,0]=3 4554 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,1,0,1,0,0|0,0,0]=2 4555 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,1,0,1,0,0|0,0,0]=2 4556 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,1,0,1,0,0|0,1,0]=3 4557 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,1,0,1,0,0|0,1,0]=3 4558 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,1,0,1,0,0|0,0,0]=2 4559 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,1,0,1,0,0|0,0,0]=2 4560 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,1,0,1,0,0|1,0,0]=3 4561 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,1,0,1,0,0|1,0,0]=3 4562 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,1,0,1,0,0|0,1,0]=3 4563 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,1,0,1,0,0|0,1,0]=3 4564 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,1,0,1,0,0|0,0,0]=2 4565 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,1,0,1,0,0|0,0,0]=2 4566 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,1,0,1,0,0|2,0,0]=4 4567 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,1,0,1,0,0|2,0,0]=4 4568 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,1,0,1,0,0|2,0,0]=4 4569 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,1,0,1,0,0|2,0,0]=4 4570 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,1,0,1,0,0|2,0,0]=4 4571 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,1,0,1,0,0|2,0,0]=4 4572 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,1,0,1,0,0|2,0,0]=4 4573 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,1,0,1,0,0|1,1,0]=4 4574 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,1,0,1,0,0|1,1,0]=4 4575 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,1,0,1,0,0|1,0,0]=3 4576 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,1,0,1,0,0|2,0,0]=4 4577 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-2576475336 [0,1,0,1,0,0|2,0,0]=4 4578 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-6535558159 [0,1,0,1,0,0|2,0,0]=4 4579 B9R1.152 CC1CC(C1)(C)C(=O)O MCULE-6119301322 [0,1,0,1,0,0|2,0,0]=4 4580 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4599601598 [0,1,0,1,0,0|2,0,0]=4 4581 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4763611062 [0,1,0,1,0,0|2,0,0]=4 4582 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-2054460365 [0,1,0,1,0,0|2,0,0]=4 4583 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-8615255294 [0,1,0,1,0,0|2,0,0]=4 4584 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,1,0,1,0,0|1,0,0]=3 4585 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,1,0,1,0,0|1,0,0]=3 4586 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,1,0,1,0,0|1,0,0]=3 4587 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,1,0,1,0,0|1,0,0]=3 4588 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,1,0,1,0,0|0,1,0]=3 4589 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,1,0,1,0,0|0,1,0]=3 4590 B9R1.152 NC1CC(C1)(F)C(=O)O MCULE-8174066741 [0,1,0,1,0,0|2,0,0]=4 4591 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,1,0,1,0,0|1,0,0]=3 4592 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,1,0,1,0,0|0,1,0]=3 4593 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,1,0,1,0,0|1,0,0]=3 4594 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,1,0,1,0,0|1,1,0]=4 4595 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,1,0,1,0,0|1,1,0]=4 4596 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,1,0,1,0,0|1,1,0]=4 4597 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,1,0,1,0,0|1,1,0]=4 4598 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,1,0,1,0,0|1,1,0]=4 4599 B9R1.165 CC(C)(C(=O)O)C1CC1 MCULE-6388172792 [0,1,0,1,0,0|2,0,0]=4 4600 B9R1.165 CC(N)(C(=O)N)C1CC1 MCULE-9753922744 [0,1,0,1,0,0|2,0,0]=4 4601 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5305811185 [0,1,0,1,0,0|1,0,0]=3 4602 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5428190802 [0,1,0,1,0,0|1,0,0]=3 4603 B9R1.165 CC(O)(C(=O)O)C1CC1 MCULE-4917199167 [0,1,0,1,0,0|2,0,0]=4 4604 B9R1.165 O=C(O)C(F)(F)C1CC1 MCULE-2348785938 [0,1,0,1,0,0|2,0,0]=4 4605 B9R1.179 CCCC1(CC1)C(=O)O MCULE-3737695448 [0,1,0,1,0,0|2,0,0]=4 4606 B9R1.179 NCCC1(CC1)C(=O)O MCULE-1732909908 [0,1,0,1,0,0|2,0,0]=4 4607 B9R1.179 NCCC1(CC1)C(=O)O MCULE-7079307522 [0,1,0,1,0,0|2,0,0]=4 4608 B9R1.179 O=C(O)C1(CC1)CCCl MCULE-8895296339 [0,1,0,1,0,0|2,0,0]=4 4609 B9R1.179 O=C(O)C1(CC1)CCF MCULE-7598361699 [0,1,0,1,0,0|2,0,0]=4 4610 B9R1.179 O=C(O)C1(CC1)CCO MCULE-4706234979 [0,1,0,1,0,0|1,1,0]=4 4611 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [0,1,0,1,0,0|2,0,0]=4 4612 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [0,1,0,1,0,0|2,0,0]=4 4613 B9R1.116 CNC(C(=O)N)C1CC1 MCULE-8533863121 [0,1,0,1,0,0|2,0,0]=4 4614 B9R1.116 CNC(C(=O)O)C1CC1 MCULE-7436139771 [0,1,0,1,0,0|1,0,0]=3 4615 B9R1.116 COC(C(=O)O)C1CC1 MCULE-8084470877 [0,1,0,1,0,0|2,0,0]=4 4616 B9R1.116 NOC(C(=O)O)C1CC1 MCULE-4234133801 [0,1,0,1,0,0|1,0,0]=3 4617 B9R1.116 NOC(C(=O)O)C1CC1 MCULE-8165844235 [0,1,0,1,0,0|1,0,0]=3 4618 B9R1.119 C#CC1(CCC1)C(=O)O MCULE-2021077070 [0,1,0,1,0,0|2,0,0]=4 4619 B9R1.119 CCC1(CCC1)C(=O)O MCULE-8472500117 [0,1,0,1,0,0|2,0,0]=4 4620 B9R1.119 CCC1(CCO1)C(=O)O MCULE-9145728118 [0,1,0,1,0,0|1,1,0]=4 4621 B9R1.119 CC[C@]1(CCO1)C(=O)O MCULE-5752888055 [0,1,0,1,0,0|1,1,0]=4 4622 B9R1.119 CNC1(CCC1)C(=O)N MCULE-9618501617 [0,1,0,1,0,0|2,0,0]=4 4623 B9R1.119 CNC1(CCC1)C(=O)O MCULE-3757495053 [0,1,0,1,0,0|1,0,0]=3 4624 B9R1.119 CNC1(CCC1)C(=O)O MCULE-4024637716 [0,1,0,1,0,0|1,0,0]=3 4625 B9R1.119 CNC1(CNC1)C(=O)O MCULE-2429867360 [0,1,0,1,0,0|2,0,0]=4 4626 B9R1.119 CNC1(CNC1)C(=O)O MCULE-6668272665 [0,1,0,1,0,0|2,0,0]=4 4627 B9R1.119 CNC1(COC1)C(=O)O MCULE-5428851378 [0,1,0,1,0,0|2,0,0]=4 4628 B9R1.119 COC1(CCC1)C(=O)O MCULE-5969292821 [0,1,0,1,0,0|2,0,0]=4 4629 B9R1.119 CSC1(CCC1)C(=O)O MCULE-8804902018 [0,1,0,1,0,0|2,0,0]=4 4630 B9R1.119 N#CC1(CCC1)C(=O)O MCULE-3878444605 [0,1,0,1,0,0|1,0,1]=4 4631 B9R1.119 NCC1(CCC1)C(=O)N MCULE-9304292524 [0,1,0,1,0,0|2,0,0]=4 4632 B9R1.119 NCC1(CCC1)C(=O)O MCULE-3914754838 [0,1,0,1,0,0|1,0,0]=3 4633 B9R1.119 NCC1(CCC1)C(=O)O MCULE-4280814319 [0,1,0,1,0,0|1,0,0]=3 4634 B9R1.119 O=C(O)C1(CCC1)CBr MCULE-5543146509 [0,1,0,1,0,0|2,0,0]=4 4635 B9R1.119 O=C(O)C1(CCC1)CF MCULE-5485073729 [0,1,0,1,0,0|2,0,0]=4 4636 B9R1.119 O=C(O)C1(CCC1)CO MCULE-3232370055 [0,1,0,1,0,0|2,0,0]=4 4637 B9R1.130 CC1CC1(C#N)C(=O)O MCULE-4083324671 [0,1,0,1,0,0|1,0,1]=4 4638 B9R1.130 CC[C@]1(C[C@@H]1F)C(=O)O MCULE-7765739144 [0,1,0,1,0,0|2,0,0]=4 4639 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-6558255104 [0,1,0,1,0,0|2,0,0]=4 4640 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-9949603359 [0,1,0,1,0,0|2,0,0]=4 4641 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,1,0,1,0,0|1,0,0]=3 4642 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,1,0,1,0,0|1,0,0]=3 4643 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|2,0,0]=4 4644 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,1,0,1,0,0|2,0,0]=4 4645 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,1,0,1,0,0|2,0,0]=4 4646 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,1,0,1,0,0|2,0,0]=4 4647 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,1,0,1,0,0|2,0,0]=4 4648 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,1,0,1,0,0|2,0,0]=4 4649 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,1,0,1,0,0|2,0,0]=4 4650 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,1,0,1,0,0|2,0,0]=4 4651 B9R1.164 CC1(CC(C1)C(=O)O)C MCULE-2113829273 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.164 CC1(CC(C1)C(=O)O)F MCULE-6709976888 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.164 CC1(CC(C1)C(=O)O)O MCULE-2222519984 [0,1,0,1,0,0|1,1,0]=4 4654 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)F MCULE-5383135274 [0,1,0,1,0,0|2,0,0]=4 4655 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)O MCULE-4467958139 [0,1,0,1,0,0|1,1,0]=4 4656 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)F MCULE-3132782538 [0,1,0,1,0,0|2,0,0]=4 4657 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)O MCULE-3757447768 [0,1,0,1,0,0|1,1,0]=4 4658 B9R1.164 O=C(O)C1CC(C1)(F)F MCULE-2201483659 [0,1,0,1,0,0|2,0,0]=4 4659 B9R1.169 CC1(CC1(Br)Br)C(=O)O MCULE-3847405281 [0,1,0,1,0,0|2,0,0]=4 4660 B9R1.169 CC1(CC1(Cl)Cl)C(=O)O MCULE-4921441641 [0,1,0,1,0,0|2,0,0]=4 4661 B9R1.169 CC1(CC1(F)Cl)C(=O)O MCULE-2748610174 [0,1,0,1,0,0|2,0,0]=4 4662 B9R1.169 CC1(CC1(F)F)C(=O)O MCULE-3474318455 [0,1,0,1,0,0|2,0,0]=4 4663 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,2,0,0|2,0,0]=4 4664 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,2,0,0|1,0,0]=3 4665 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|2,0,0]=4 4666 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|2,0,0]=4 4667 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|2,0,0]=4 4668 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|2,0,0]=4 4669 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [0,0,0,2,0,0|2,0,0]=4 4670 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [0,0,0,2,0,0|2,0,0]=4 4671 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,2,0,0|1,0,0]=3 4672 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,2,0,0|1,0,0]=3 4673 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,2,0,0|1,0,0]=3 4674 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,2,0,0|1,0,0]=3 4675 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,2,0,0|1,0,0]=3 4676 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,2,0,0|1,0,0]=3 4677 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,2,0,0|1,0,0]=3 4678 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,2,0,0|1,0,0]=3 4679 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,2,0,0|2,0,0]=4 4680 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,2,0,0|2,0,0]=4 4681 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,2,0,0|2,0,0]=4 4682 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [0,0,0,2,0,0|2,0,0]=4 4683 B9R2.145 O=C(O)C12CC(C1)C2 MCULE-3144378973 [0,0,0,2,0,0|2,0,0]=4 4684 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|2,0,0]=4 4685 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|2,0,0]=4 4686 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,0,0,0,0,2|2,0,0]=4 4687 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,0,0,0,0,2|1,0,0]=3 4688 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,0,0,0,0,2|1,0,0]=3