0 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,0,0,0,0|1,1,0]=2 3 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,0,0,0,0|1,1,1]=3 13 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,0,0,0,0|1,0,1]=2 22 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,0,0,0,0|1,0,1]=2 33 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,0,0,0,0|1,0,1]=2 34 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,0,0,0,0|1,0,1]=2 35 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,0,0,0,0,0|2,1,1]=4 37 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,0,0,0,0,0|2,1,1]=4 40 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,0,0,0,0,0|2,1,1]=4 42 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,0,0,0,0,0|2,1,0]=3 43 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,0,0,0,0|1,1,0]=2 45 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,0,0,0,0|1,1,0]=2 46 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,0,0,0,0,0|2,1,1]=4 53 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,0,0,0,0,0|2,1,1]=4 54 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,0,0,0,0,0|2,1,1]=4 55 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,0,0,0,0,0|2,1,1]=4 58 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,0,0,0,0,0|2,1,1]=4 59 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,0,0,0,0,0|2,1,1]=4 63 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,0,0,0,0,0|2,1,1]=4 64 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,0,0,0,0,0|2,1,1]=4 65 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,0,0,0,0,0|2,1,1]=4 66 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,0,0,0,0|2,0,0]=2 67 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,0,0,0,0|2,0,0]=2 68 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,0,0,0,0|2,0,0]=2 69 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,0,0,0,0|2,0,0]=2 70 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,0,0,0,0,0|4,0,0]=4 71 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,0,0,0,0|1,1,0]=2 72 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,0,0,0,0,0|1,1,1]=3 73 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,0,0,0,0,0|2,1,1]=4 74 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,0,0,0,0|1,1,0]=2 75 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,0,0,0,0,0|2,1,1]=4 77 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,0,0,0,0,0|2,0,1]=3 78 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,0,0,0,0,0|2,0,1]=3 79 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,0,0,0,0,0|1,1,1]=3 80 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,0,0,0,0,0|2,1,1]=4 82 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,0,0,0,0,0|3,0,0]=3 85 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,0,0,0,0,0|2,0,2]=4 88 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,0,0,0,0,0|2,0,2]=4 89 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,0,0,0,0,0|2,0,2]=4 90 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,0,0,0,0,0|2,0,2]=4 91 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,0,0,0,0|2,0,2]=4 94 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,0,0,0,0|3,0,0]=3 96 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,0,0,0,0|3,0,0]=3 98 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,0,0,0,0|2,0,0]=2 99 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,0,0,0,0,0|4,0,0]=4 101 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,0,0,0,0,0|4,0,0]=4 102 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,0,0,0,0|3,0,0]=3 103 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,0,0,0,0|3,0,0]=3 104 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,0,0,0,0|3,0,0]=3 105 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,0,0,0,0|2,0,0]=2 107 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,0,0,0,0,0|3,1,0]=4 108 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,0,0,0,0|3,0,0]=3 110 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,0,0,0,0|3,0,0]=3 111 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,0,0,0,0|2,0,0]=2 112 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,0,0,0,0|2,0,0]=2 113 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,0,0,0,0|2,0,0]=2 114 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,0,0,0,0|2,0,0]=2 115 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,0,0,0,0|2,0,0]=2 116 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,0,0,0,0|2,0,0]=2 117 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,0,0,0,0|1,0,0]=1 118 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,0,0,0,0|1,0,0]=1 119 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,0,0,0,0|1,0,0]=1 120 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,0,0,0,0|1,0,0]=1 121 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [0,0,0,0,0,0|3,0,1]=4 122 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [0,0,0,0,0,0|3,0,1]=4 123 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,0,0,0,0,0|2,0,1]=3 124 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,0,0,0,0,0|2,0,1]=3 125 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [0,0,0,0,0,0|3,0,1]=4 126 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [0,0,0,0,0,0|3,0,1]=4 127 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,0,0,0,0|2,0,0]=2 129 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,0,0,0,0|2,0,0]=2 130 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,0,0,0,0|2,0,1]=3 131 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,0,0,0,0|2,0,1]=3 132 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,0,0,0,0,0|3,0,1]=4 133 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,0,0,0,0|3,0,0]=3 134 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,0,0,0,0|2,0,0]=2 135 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,0,0,0,0,0|4,0,0]=4 136 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,0,0,0,0,0|4,0,0]=4 137 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,0,0,0,0|3,0,0]=3 138 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,0,0,0,0|4,0,0]=4 139 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,0,0,0,0|2,0,0]=2 140 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,0,0,0,0|2,0,0]=2 141 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,0,0,0,0|3,0,0]=3 142 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,0,0,0,0|3,0,0]=3 143 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,0,0,0,0|2,0,0]=2 144 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,0,0,0,0|2,0,0]=2 145 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,0,0,0,0|2,0,0]=2 146 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,0,0,0,0|2,0,0]=2 147 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,0,0,0,0|2,0,0]=2 148 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,0,0,0,0|2,0,0]=2 149 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,0,0,0,0|2,0,0]=2 150 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,0,0,0,0|2,0,0]=2 151 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,0,0,0,0|1,0,0]=1 152 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,0,0,0,0|1,0,0]=1 153 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,0,0,0,0|1,0,0]=1 154 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,0,0,0,0|1,0,0]=1 155 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,0,0,0,0,0|2,0,1]=3 156 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,0,0,0,0,0|2,0,1]=3 157 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,0,0,0,0|2,0,0]=2 158 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,0,0,0,0|2,0,0]=2 159 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,0,0,0,0|2,0,0]=2 160 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,0,0,0,0|2,0,0]=2 161 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,0,0,0,0|2,0,0]=2 162 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,0,0,0,0|2,0,0]=2 163 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,0,0,0,0|2,0,0]=2 164 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,0,0,0,0|2,0,0]=2 165 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,0,0,0,0|2,0,0]=2 166 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,0,0,0,0|2,0,0]=2 167 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,0,0,0,0|1,0,0]=1 169 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,0,0,0,0|1,0,0]=1 170 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,0,0,0,0|1,0,0]=1 171 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,0,0,0,0|1,0,0]=1 172 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,0,0,0,0|1,1,0]=2 173 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,0,0,0,0|1,1,0]=2 174 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [0,0,0,0,0,0|3,0,1]=4 175 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [0,0,0,0,0,0|3,0,1]=4 176 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,0,0,0,0,0|2,0,1]=3 177 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,0,0,0,0,0|2,0,1]=3 178 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,0,0,0,0,0|2,0,1]=3 179 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,0,0,0,0,0|2,0,1]=3 180 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,0,0,0,0,0|2,0,1]=3 181 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,0,0,0,0,0|2,0,1]=3 182 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,0,0,0,0|2,0,0]=2 183 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,0,0,0,0|2,0,0]=2 184 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,0,0,0,0|2,0,1]=3 185 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,0,0,0,0,0|3,0,1]=4 186 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,0,0,0,0,0|4,0,0]=4 187 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,0,0,0,0,0|4,0,0]=4 188 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,0,0,0,0,0|3,0,0]=3 189 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,0,0,0,0,0|3,0,0]=3 190 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,0,0,0,0,0|3,0,0]=3 191 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,0,0,0,0,0|4,0,0]=4 192 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,0,0,0,0,0|3,0,0]=3 193 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,0,0,0,0,0|3,0,0]=3 194 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,0,0,0,0,0|3,0,0]=3 195 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,0,0,0,0,0|3,0,0]=3 196 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,0,0,0,0,0|3,0,0]=3 197 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,0,0,0,0,0|3,0,0]=3 198 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,0,0,0,0,0|3,0,0]=3 199 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,0,0,0,0,0|3,0,1]=4 200 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,0,0,0,0,0|4,0,0]=4 201 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,0,0,0,0,0|3,0,0]=3 202 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,0,0,0,0,0|4,0,0]=4 203 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,0,0,0,0,0|4,0,0]=4 204 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,0,0,0,0,0|3,0,0]=3 205 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,0,0,0,0,0|4,0,0]=4 206 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,0,0,0,0,0|3,0,0]=3 207 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,0,0,0,0,0|3,0,0]=3 208 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,0,0,0,0,0|3,0,0]=3 209 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,0,0,0,0,0|3,0,0]=3 210 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,0,0,0,0,0|4,0,0]=4 211 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,0,0,0,0|3,0,0]=3 212 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,0,0,0,0|2,0,0]=2 213 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,0,0,0,0|2,0,0]=2 214 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,0,0,0,0|2,0,0]=2 215 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,0,0,0,0|2,0,0]=2 216 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,0,0,0,0|1,1,0]=2 217 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,0,0,0,0|1,1,0]=2 218 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,0,0,0,0,0|1,1,1]=3 219 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,0,0,0,0,0|1,1,1]=3 220 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,0,0,0,0,0|1,1,1]=3 221 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,0,0,0,0,0|1,1,1]=3 222 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,0,0,0,0,0|1,1,1]=3 223 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,0,0,0,0,0|1,1,1]=3 224 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,0,0,0,0,0|3,0,0]=3 225 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,0,0,0,0,0|3,0,0]=3 226 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,0,0,0,0|2,0,0]=2 227 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,0,0,0,0|2,0,0]=2 228 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,0,0,0,0|2,0,0]=2 229 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,0,0,0,0|2,0,0]=2 230 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,0,0,0,0|1,1,0]=2 231 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,0,0,0,0|1,1,0]=2 232 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,0,0,0,0,0|1,1,1]=3 233 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,0,0,0,0,0|1,1,1]=3 234 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,0,0,0,0,0|1,1,1]=3 235 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,0,0,0,0,0|1,1,1]=3 236 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,0,0,0,0,0|1,1,1]=3 237 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,0,0,0,0,0|1,1,1]=3 238 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,0,0,0,0,0|3,0,0]=3 239 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,0,0,0,0,0|3,0,0]=3 240 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,0,0,0,0,0|3,0,1]=4 241 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,0,0,0,0,0|2,0,1]=3 242 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,0,0,0,0,0|2,1,1]=4 243 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,0,0,0,0,0|3,0,0]=3 244 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,0,0,0,0,0|3,0,0]=3 245 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,0,0,0,0|1,1,0]=2 246 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,0,0,0,0|1,1,0]=2 247 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,0,0,0,0|1,1,0]=2 248 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,0,0,0,0|1,1,0]=2 249 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,0,0,0,0|1,1,0]=2 250 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,0,0,0,0|1,1,0]=2 251 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,0,0,0,0|1,1,0]=2 252 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,0,0,0,0|1,1,0]=2 253 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,0,0,0,0|1,1,0]=2 254 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,0,0,0,0|1,1,0]=2 255 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,0,0,0,0|1,1,0]=2 256 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,0,0,0,0|1,1,0]=2 257 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,0,0,0,0|1,0,0]=1 258 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,0,0,0,0|1,0,0]=1 259 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,0,0,0,0|1,0,0]=1 260 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,0,0,0,0|1,0,0]=1 261 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,0,0,0,0|0,1,0]=1 262 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,0,0,0,0|0,1,0]=1 263 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,0,0,0,0|0,1,0]=1 264 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,0,0,0,0|0,1,0]=1 265 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,0,0,0,0|0,1,0]=1 266 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,0,0,0,0|0,1,0]=1 267 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,0,0,0,0|2,0,0]=2 268 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,0,0,0,0|2,0,0]=2 269 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,0,0,0,0|2,0,0]=2 270 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,0,0,0,0|2,0,0]=2 271 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,0,0,0,0|1,0,0]=1 272 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,0,0,0,0|1,0,0]=1 273 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,0,0,0,0|1,0,0]=1 274 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,0,0,0,0|1,0,0]=1 275 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,0,0,0,0|1,0,0]=1 276 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,0,0,0,0,0|3,0,0]=3 277 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,0,0,0,0,0|3,0,0]=3 278 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,0,0,0,0|2,0,0]=2 279 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,0,0,0,0|2,0,0]=2 280 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,0,0,0,0|2,0,0]=2 281 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,0,0,0,0|2,0,0]=2 282 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,0,0,0,0|2,0,0]=2 283 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,0,0,0,0|2,0,0]=2 284 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,0,0,0,0|1,0,0]=1 285 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,0,0,0,0|1,0,0]=1 286 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,0,0,0,0|1,0,0]=1 287 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,0,0,0,0|2,0,0]=2 288 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,0,0,0,0|2,0,0]=2 289 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,0,0,0,0|2,0,0]=2 290 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,0,0,0,0|2,0,0]=2 291 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,0,0,0,0|2,0,0]=2 292 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,0,0,0,0|2,0,0]=2 293 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,0,0,0,0|1,0,0]=1 294 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,0,0,0,0|1,0,0]=1 295 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,0,0,0,0|1,0,0]=1 296 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,0,0,0,0|1,0,0]=1 297 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,0,0,0,0|1,0,0]=1 298 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,0,0,0,0|1,0,0]=1 299 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,0,0,0,0|2,0,0]=2 300 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,0,0,0,0|2,0,0]=2 301 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,0,0,0,0|1,0,0]=1 302 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,0,0,0,0|1,0,0]=1 303 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,0,0,0,0|1,0,0]=1 304 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,0,0,0,0|1,0,0]=1 305 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,0,0,0,0|0,1,0]=1 306 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,0,0,0,0|0,1,0]=1 307 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,0,0,0,0|0,1,0]=1 308 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,0,0,0,0|0,1,0]=1 309 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,0,0,0,0|0,1,0]=1 310 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,0,0,0,0|0,1,0]=1 311 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,0,0,0,0|0,1,0]=1 312 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,0,0,0,0|0,1,0]=1 313 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,0,0,0,0|1,0,0]=1 314 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,0,0,0,0|1,0,0]=1 315 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,0,0,0,0|1,0,0]=1 316 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,0,0,0,0|1,0,0]=1 317 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,0,0,0,0|1,0,0]=1 318 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,0,0,0,0|1,0,0]=1 319 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,0,0,0,0|0,1,0]=1 320 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,0,0,0,0|0,1,0]=1 321 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,0,0,0,0|0,1,0]=1 322 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,0,0,0,0|0,1,0]=1 323 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,0,0,0,0|0,1,0]=1 324 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,0,0,0,0|0,1,0]=1 325 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,0,0,0,0,0|3,0,1]=4 326 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,0,0,0,0,0|3,0,0]=3 327 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,0,0,0,0,0|3,0,0]=3 328 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,0,0,0,0,0|2,0,2]=4 329 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,0,0,0,0,0|2,0,2]=4 330 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,0,0,0,0|2,0,1]=3 331 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,0,0,0,0|2,0,1]=3 332 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,0,0,0,0|2,0,1]=3 333 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,0,0,0,0|1,1,1]=3 334 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,0,0,0,0|1,1,1]=3 335 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,0,0,0,0|2,0,0]=2 336 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,0,0,0,0|2,0,0]=2 337 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,0,0,0,0|1,1,0]=2 338 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,0,0,0,0|2,0,0]=2 339 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,0,0,0,0|1,1,0]=2 340 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,0,0,0,0|2,0,0]=2 341 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,0,0,0,0|2,0,0]=2 342 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,0,0,0,0|2,0,0]=2 343 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,0,0,0,0|1,1,0]=2 344 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,0,0,0,0|1,1,0]=2 345 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,0,0,0,0|1,1,0]=2 346 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,0,0,0,0|2,0,0]=2 347 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,0,0,0,0|1,1,0]=2 348 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,0,0,0,0|1,1,0]=2 349 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,0,0,0,0|1,1,0]=2 350 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,0,0,0,0|1,1,0]=2 351 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,0,0,0,0|2,0,0]=2 352 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,0,0,0,0,0|2,0,2]=4 353 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,0,0,0,0,0|1,1,2]=4 354 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,0,0,0,0,0|1,1,1]=3 355 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,0,0,0,0,0|2,1,1]=4 356 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,0,0,0,0|1,0,1]=2 357 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,0,0,0,0|1,0,0]=1 358 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,0,0,0,0,0|3,0,0]=3 359 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,0,0,0,0|1,1,0]=2 360 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,0,0,0,0|2,0,0]=2 361 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,0,0,0,0|0,0,0]=0 362 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|1,0,1]=3 363 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|1,0,2]=4 364 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,0,0,0,0,0|3,0,0]=4 365 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|2,1,0]=4 366 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,0,0,0,0|3,0,0]=4 367 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|3,0,0]=4 368 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,0,0,0,0|3,0,0]=4 369 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,0,0,0,0|3,0,0]=4 370 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|3,0,0]=4 371 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|3,0,0]=4 372 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|2,1,0]=4 373 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|2,0,1]=4 374 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|2,0,1]=4 375 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|1,0,1]=3 376 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|3,0,0]=4 377 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|1,0,2]=4 378 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|2,0,1]=4 379 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,0]=3 380 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,0]=3 381 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|2,0,0]=3 382 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|2,0,0]=3 383 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|1,1,0]=3 384 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|2,1,0]=4 385 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|3,0,0]=4 386 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|3,0,0]=4 387 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|3,0,0]=4 388 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,0,0,0,0,0|2,0,1]=4 389 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,0,0,0,0,0|2,0,1]=4 390 B5R0.1 CC(O)CCN MCULE-6836791276 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.1 CC(O)CCN MCULE-7186260925 [1,0,0,0,0,0|2,0,1]=4 392 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,0,0,0,0|1,1,1]=4 393 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,0,0,0,0|1,1,1]=4 394 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|1,0,2]=4 395 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|3,0,0]=4 397 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|3,0,0]=4 398 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|2,0,0]=3 399 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|2,0,0]=3 400 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|2,0,0]=3 401 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|1,0,0]=2 402 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|1,0,1]=3 403 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|1,0,1]=3 404 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|2,1,0]=4 405 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|1,1,0]=3 406 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|2,0,1]=4 407 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|2,0,1]=4 410 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|3,0,0]=4 414 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|3,0,0]=4 415 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|3,0,0]=4 416 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|3,0,0]=4 417 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|3,0,0]=4 418 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|3,0,0]=4 419 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|3,0,0]=4 420 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|3,0,0]=4 421 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|3,0,0]=4 422 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|3,0,0]=4 423 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|3,0,0]=4 424 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|3,0,0]=4 425 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|2,0,0]=3 426 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|2,0,0]=3 427 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|2,0,1]=4 428 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|3,0,0]=4 429 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|3,0,0]=4 430 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|3,0,0]=4 431 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|2,0,0]=3 432 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|3,0,0]=4 433 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|3,0,0]=4 434 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|3,0,0]=4 435 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|3,0,0]=4 436 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|3,0,0]=4 437 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,1,0]=4 438 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|3,0,0]=4 439 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|3,0,0]=4 440 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|3,0,0]=4 441 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|2,0,0]=3 442 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,0,0,0,0,0|2,0,1]=4 443 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,0,0,0,0,0|2,0,1]=4 444 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,0,0,0,0,0|2,0,1]=4 445 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,0,0,0,0,0|2,0,1]=4 446 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,0,0,0,0|1,1,1]=4 447 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,0,0,0,0|1,1,1]=4 448 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,0,0,0,0,0|2,0,1]=4 449 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,0,0,0,0,0|2,0,1]=4 450 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,0,0,0,0|1,1,1]=4 451 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,0,0,0,0|1,1,1]=4 452 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,1,0]=4 453 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|2,0,1]=4 455 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|1,0,1]=3 456 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|1,0,2]=4 457 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|1,0,2]=4 458 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,0,0,0,0|3,0,0]=4 459 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,0,0,0,0|3,0,0]=4 460 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|2,1,0]=4 461 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|2,1,0]=4 462 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|2,0,0]=3 463 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|2,0,0]=3 464 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|1,1,0]=3 465 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|1,1,0]=3 466 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|2,1,0]=4 467 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,0]=3 468 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,0]=3 469 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,0]=3 470 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,0]=2 471 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,0]=2 472 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,0]=2 473 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|1,0,1]=3 474 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|2,0,0]=3 476 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|2,0,0]=3 477 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 478 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 479 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,0]=3 480 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,0]=3 481 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,0]=3 482 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,0]=3 483 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,0]=3 484 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,0]=3 485 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,0]=3 486 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,0]=3 487 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 488 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,2]=4 489 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,2]=4 490 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,2]=4 491 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,2]=4 492 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,2]=4 493 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,2]=4 494 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|1,1,1]=4 495 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 496 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,2]=4 497 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,2]=4 498 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,2]=4 499 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|1,1,1]=4 500 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,0]=2 501 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,0]=2 502 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,0]=2 503 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,0]=2 504 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|0,1,0]=2 505 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|0,1,0]=2 506 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|1,1,0]=3 507 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|0,1,1]=3 508 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|1,1,1]=4 509 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,0,0,0,0,0|1,1,1]=4 510 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|2,0,1]=4 511 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|2,0,1]=4 512 B5R0.3 C#CC(N)CC MCULE-2327605941 [1,0,0,0,0,0|2,0,1]=4 513 B5R0.3 C#CC(N)CC MCULE-3572771620 [1,0,0,0,0,0|2,0,1]=4 514 B5R0.3 C#CC(N)CO MCULE-2442851523 [1,0,0,0,0,0|1,0,2]=4 515 B5R0.3 C#CC(N)CO MCULE-3866086926 [1,0,0,0,0,0|1,0,2]=4 516 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [1,0,0,0,0,0|1,0,2]=4 517 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [1,0,0,0,0,0|1,0,2]=4 518 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [1,0,0,0,0,0|1,0,2]=4 519 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [1,0,0,0,0,0|1,0,2]=4 520 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,0,0,0,0|2,0,1]=4 521 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,0,0,0,0,0|3,0,0]=4 522 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [1,0,0,0,0,0|3,0,0]=4 523 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,0,0,0,0|2,0,0]=3 524 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,0,0,0,0|2,0,0]=3 525 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,0,0,0,0,0|1,1,0]=3 526 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,0,0,0,0,0|1,1,0]=3 527 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,0,0,0,0,0|1,1,0]=3 528 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,0,0,0,0,0|1,1,0]=3 529 B5R0.3 C=CC(O)CBr MCULE-3538023814 [1,0,0,0,0,0|3,0,0]=4 530 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,0,0,0,0,0|3,0,0]=4 531 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,0,0,0,0,0|3,0,0]=4 532 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,0,0,0,0,0|2,1,0]=4 533 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,0,0,0,0,0|1,1,0]=3 534 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,0,0,0,0,0|1,1,0]=3 535 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,0,0,0,0,0|1,1,0]=3 536 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,0,0,0,0,0|1,1,0]=3 537 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,0,0,0,0,0|2,1,0]=4 538 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,0,0,0,0,0|1,1,0]=3 539 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,0,0,0,0,0|1,1,0]=3 540 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,0,0,0,0,0|1,1,0]=3 541 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,0,0,0,0,0|1,1,0]=3 542 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,0,0,0,0,0|2,1,0]=4 543 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,0,0,0,0,0|2,1,0]=4 544 B5R0.3 CC(CN)CO MCULE-5880795484 [1,0,0,0,0,0|2,0,1]=4 545 B5R0.3 CC(CN)CO MCULE-8083007887 [1,0,0,0,0,0|2,0,1]=4 546 B5R0.3 CC(CO)CBr MCULE-3815333295 [1,0,0,0,0,0|2,0,1]=4 547 B5R0.3 CC(CO)CBr MCULE-5695891877 [1,0,0,0,0,0|2,0,1]=4 548 B5R0.3 CC(CO)CO MCULE-2340730326 [1,0,0,0,0,0|1,1,1]=4 549 B5R0.3 CC(CO)CS MCULE-1990992504 [1,0,0,0,0,0|1,1,1]=4 550 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,0,0,0,0,0|2,0,1]=4 552 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,0,0,0,0|2,0,0]=3 553 B5R0.3 CCC(Br)CO MCULE-7211805716 [1,0,0,0,0,0|2,0,1]=4 554 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,0,0,0,0|2,0,0]=3 555 B5R0.3 CCC(C)CO MCULE-6521026296 [1,0,0,0,0,0|2,0,1]=4 556 B5R0.3 CCC(C)NO MCULE-1247092627 [1,0,0,0,0,0|3,0,0]=4 557 B5R0.3 CCC(C)NO MCULE-6169819668 [1,0,0,0,0,0|3,0,0]=4 558 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,0,0,0,0|2,0,0]=3 559 B5R0.3 CCC(Cl)CO MCULE-1756262629 [1,0,0,0,0,0|2,0,1]=4 560 B5R0.3 CCC(N)C#N MCULE-1350483203 [1,0,0,0,0,0|2,0,1]=4 561 B5R0.3 CCC(N)C#N MCULE-3867024162 [1,0,0,0,0,0|2,0,1]=4 562 B5R0.3 CCC(N)CBr MCULE-3567691924 [1,0,0,0,0,0|2,0,1]=4 563 B5R0.3 CCC(N)CC MCULE-4261937519 [1,0,0,0,0,0|2,0,1]=4 564 B5R0.3 CCC(N)CC MCULE-5899128891 [1,0,0,0,0,0|2,0,1]=4 565 B5R0.3 CCC(N)CN MCULE-6911484065 [1,0,0,0,0,0|2,0,1]=4 566 B5R0.3 CCC(N)CN MCULE-8376506697 [1,0,0,0,0,0|2,0,1]=4 567 B5R0.3 CCC(N)CO MCULE-1135809021 [1,0,0,0,0,0|1,0,1]=3 568 B5R0.3 CCC(N)CO MCULE-7588854111 [1,0,0,0,0,0|1,0,1]=3 569 B5R0.3 CCC(O)CO MCULE-2488753438 [1,0,0,0,0,0|2,0,1]=4 570 B5R0.3 CCC(O)CO MCULE-7297282094 [1,0,0,0,0,0|2,0,1]=4 571 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,0,0,0,0|3,0,0]=4 572 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [1,0,0,0,0,0|2,0,1]=4 573 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [1,0,0,0,0,0|2,0,1]=4 574 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [1,0,0,0,0,0|2,0,1]=4 575 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [1,0,0,0,0,0|2,0,1]=4 576 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,0,0,0,0,0|1,0,1]=3 577 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,0,0,0,0,0|1,0,1]=3 578 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [1,0,0,0,0,0|2,0,1]=4 579 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [1,0,0,0,0,0|2,0,1]=4 580 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [1,0,0,0,0,0|2,0,1]=4 581 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [1,0,0,0,0,0|2,0,1]=4 582 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [1,0,0,0,0,0|2,0,1]=4 583 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [1,0,0,0,0,0|2,0,1]=4 584 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [1,0,0,0,0,0|2,0,1]=4 585 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [1,0,0,0,0,0|2,0,1]=4 586 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,0,0,0,0,0|1,0,1]=3 587 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,0,0,0,0,0|1,0,1]=3 588 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [1,0,0,0,0,0|2,0,1]=4 589 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [1,0,0,0,0,0|2,0,1]=4 590 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [1,0,0,0,0,0|2,0,1]=4 591 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [1,0,0,0,0,0|2,0,1]=4 592 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [1,0,0,0,0,0|2,0,1]=4 593 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [1,0,0,0,0,0|2,0,1]=4 594 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [1,0,0,0,0,0|2,0,1]=4 595 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [1,0,0,0,0,0|2,0,1]=4 596 B5R0.3 N#CC(Br)C=O MCULE-3951653048 [1,0,0,0,0,0|2,0,1]=4 597 B5R0.3 N#CC(Cl)C=O MCULE-3516957476 [1,0,0,0,0,0|2,0,1]=4 598 B5R0.3 N#CC(N)CO MCULE-5918855868 [1,0,0,0,0,0|1,0,2]=4 599 B5R0.3 N#CC(N)CO MCULE-8439000158 [1,0,0,0,0,0|1,0,2]=4 600 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [1,0,0,0,0,0|2,0,1]=4 601 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,0,0,0,0,0|1,1,1]=4 602 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [1,0,0,0,0,0|2,0,1]=4 603 B5R0.3 NC(CF)CF MCULE-4671221738 [1,0,0,0,0,0|2,0,1]=4 604 B5R0.3 NC(CF)CF MCULE-8916274721 [1,0,0,0,0,0|2,0,1]=4 605 B5R0.3 NC(CO)CF MCULE-3756808200 [1,0,0,0,0,0|1,0,1]=3 606 B5R0.3 NC(CO)CF MCULE-9468719402 [1,0,0,0,0,0|1,0,1]=3 607 B5R0.3 NC(CO)CO MCULE-1559988016 [1,0,0,0,0,0|0,1,1]=3 608 B5R0.3 NC(CO)CO MCULE-4954119952 [1,0,0,0,0,0|0,1,1]=3 609 B5R0.3 NCC(F)CO MCULE-6156319956 [1,0,0,0,0,0|2,0,1]=4 610 B5R0.3 NCC(F)CO MCULE-7472307328 [1,0,0,0,0,0|2,0,1]=4 611 B5R0.3 NCC(O)CO MCULE-2689763818 [1,0,0,0,0,0|2,0,1]=4 612 B5R0.3 NCC(O)CO MCULE-6096620010 [1,0,0,0,0,0|2,0,1]=4 613 B5R0.3 NCC(O)CO MCULE-7307777212 [1,0,0,0,0,0|2,0,1]=4 614 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [1,0,0,0,0,0|2,0,1]=4 615 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [1,0,0,0,0,0|2,0,1]=4 616 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [1,0,0,0,0,0|1,0,1]=3 617 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [1,0,0,0,0,0|1,0,1]=3 618 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [1,0,0,0,0,0|2,0,1]=4 619 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [1,0,0,0,0,0|2,0,1]=4 620 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [1,0,0,0,0,0|2,0,1]=4 621 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [1,0,0,0,0,0|2,0,1]=4 622 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [1,0,0,0,0,0|2,0,1]=4 623 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [1,0,0,0,0,0|2,0,1]=4 624 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [1,0,0,0,0,0|1,0,1]=3 625 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [1,0,0,0,0,0|1,0,1]=3 626 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [1,0,0,0,0,0|2,0,1]=4 627 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [1,0,0,0,0,0|2,0,1]=4 628 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [1,0,0,0,0,0|2,0,1]=4 629 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [1,0,0,0,0,0|2,0,1]=4 630 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [1,0,0,0,0,0|1,0,1]=3 631 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [1,0,0,0,0,0|1,0,1]=3 632 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [1,0,0,0,0,0|1,0,1]=3 633 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [1,0,0,0,0,0|1,0,1]=3 634 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [1,0,0,0,0,0|1,0,1]=3 635 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [1,0,0,0,0,0|1,0,1]=3 636 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [1,0,0,0,0,0|1,0,1]=3 637 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [1,0,0,0,0,0|1,0,1]=3 638 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,0,0,0,0|1,1,1]=4 639 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [1,0,0,0,0,0|1,1,1]=4 640 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [1,0,0,0,0,0|1,1,1]=4 641 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,0,0,0,0|1,1,0]=3 642 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,0,0,0,0|1,1,0]=3 643 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,0,0,0,0|1,1,0]=3 644 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,0,0,0,0|1,1,0]=3 645 B5R0.3 OCC(Br)CBr MCULE-9616107956 [1,0,0,0,0,0|2,0,1]=4 646 B5R0.3 OCC(Br)CO MCULE-9272628834 [1,0,0,0,0,0|1,1,1]=4 647 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [1,0,0,0,0,0|2,0,1]=4 648 B5R0.3 OCC(Cl)CO MCULE-7487945326 [1,0,0,0,0,0|1,1,1]=4 649 B5R0.3 OCC(F)CBr MCULE-2889937576 [1,0,0,0,0,0|2,0,1]=4 650 B5R0.3 OCC(F)CO MCULE-2970537690 [1,0,0,0,0,0|1,1,1]=4 651 B5R0.3 OCC(O)CBr MCULE-9116190245 [1,0,0,0,0,0|2,0,1]=4 652 B5R0.3 OCC(O)CCl MCULE-7895191088 [1,0,0,0,0,0|2,0,1]=4 653 B5R0.3 OCC(O)CCl MCULE-8992242488 [1,0,0,0,0,0|2,0,1]=4 654 B5R0.3 OCC(O)CF MCULE-3575952891 [1,0,0,0,0,0|2,0,1]=4 655 B5R0.3 OCC(O)CF MCULE-8981430411 [1,0,0,0,0,0|2,0,1]=4 656 B5R0.3 OCC(O)CI MCULE-6705992930 [1,0,0,0,0,0|2,0,1]=4 657 B5R0.3 OCC(O)CO MCULE-6349111826 [1,0,0,0,0,0|1,1,1]=4 658 B5R0.3 OCC(O)CS MCULE-6300188207 [1,0,0,0,0,0|1,1,1]=4 659 B5R0.3 OCC(S)CS MCULE-9735516119 [1,0,0,0,0,0|1,1,1]=4 660 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [1,0,0,0,0,0|2,0,1]=4 661 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [1,0,0,0,0,0|2,0,1]=4 662 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [1,0,0,0,0,0|2,0,1]=4 663 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [1,0,0,0,0,0|2,0,1]=4 664 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [1,0,0,0,0,0|2,0,1]=4 665 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [1,0,0,0,0,0|2,0,1]=4 666 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [1,0,0,0,0,0|2,0,1]=4 667 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [1,0,0,0,0,0|2,0,1]=4 668 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [1,0,0,0,0,0|2,0,1]=4 669 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,0,0,0,0,0|1,0,2]=4 670 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,0,0,0,0,0|2,0,1]=4 671 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,0,0,0,0,0|2,0,1]=4 672 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,0,0,0,0,0|2,0,1]=4 673 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,0,0,0,0|1,0,1]=3 674 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,0,0,0,0,0|1,0,2]=4 675 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,0,0,0,0,0|1,0,2]=4 676 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,0,0,0,0,0|1,0,2]=4 677 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,0,0,0,0,0|3,0,0]=4 678 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,0,0,0,0,0|3,0,0]=4 679 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,0,0,0,0,0|3,0,0]=4 680 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,0,0,0,0,0|1,0,2]=4 681 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,0,0,0,0,0|1,0,2]=4 682 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,0,0,0,0,0|2,0,1]=4 683 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,0,0,0,0,0|2,0,1]=4 684 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,0,0,0,0,0|1,1,1]=4 685 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,0,0,0,0|1,0,1]=3 686 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,0,0,0,0,0|1,0,2]=4 687 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,0,0,0,0,0|1,0,2]=4 688 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,0,0,0,0,0|1,0,2]=4 689 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,0,0,0,0,0|1,1,1]=4 690 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,0,0,0,0|2,0,0]=3 691 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,0,0,0,0|2,0,0]=3 692 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,0,0,0,0|2,0,0]=3 693 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,0,0,0,0|2,0,0]=3 694 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,0,0,0,0|1,0,0]=2 695 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,0,0,0,0|1,0,0]=2 696 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,0,0,0,0|2,0,0]=3 697 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,0,0,0,0|2,0,0]=3 698 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [1,0,0,0,0,0|3,0,0]=4 699 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [1,0,0,0,0,0|3,0,0]=4 700 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,0,0,0,0,0|3,0,0]=4 701 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,0,0,0,0,0|2,0,0]=3 702 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,0,0,0,0|1,0,0]=2 703 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,0,0,0,0|1,0,0]=2 704 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,0,0,0,0|1,0,0]=2 705 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,0,0,0,0|1,0,0]=2 706 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,0,0,0,0,0|2,0,0]=3 707 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,0,0,0,0,0|2,0,0]=3 708 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,0,0,0,0,0|2,0,0]=3 709 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,0,0,0,0|1,0,0]=2 710 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,0,0,0,0|1,0,0]=2 711 B5R0.5 CC(C)B(O)O MCULE-1255589444 [1,0,0,0,0,0|2,0,1]=4 712 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,0,0,0,0,0|3,0,0]=4 713 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,0,0,0,0,0|3,0,0]=4 714 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,0,0,0,0,0|2,0,0]=3 715 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,0,0,0,0,0|2,0,0]=3 716 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,0,0,0,0,0|2,0,0]=3 717 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,0,0,0,0|1,0,0]=2 718 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,0,0,0,0,0|1,1,0]=3 719 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,0,0,0,0,0|2,1,0]=4 720 B5R0.5 CC(C)C(C)N MCULE-1630754475 [1,0,0,0,0,0|2,0,1]=4 721 B5R0.5 CC(C)C(C)N MCULE-1801901816 [1,0,0,0,0,0|2,0,1]=4 722 B5R0.5 CC(C)C(C)N MCULE-3544463874 [1,0,0,0,0,0|2,0,1]=4 723 B5R0.5 CC(C)C(C)N MCULE-4774844065 [1,0,0,0,0,0|2,0,1]=4 724 B5R0.5 CC(C)C(C)O MCULE-4829392845 [1,0,0,0,0,0|2,0,1]=4 725 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [1,0,0,0,0,0|2,0,1]=4 726 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,0,0,0,0,0|3,0,0]=4 727 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,0,0,0,0,0|2,0,0]=3 728 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [1,0,0,0,0,0|2,0,1]=4 729 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [1,0,0,0,0,0|2,0,1]=4 730 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [1,0,0,0,0,0|2,0,1]=4 731 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [1,0,0,0,0,0|2,0,1]=4 732 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [1,0,0,0,0,0|2,0,1]=4 733 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [1,0,0,0,0,0|2,0,1]=4 734 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [1,0,0,0,0,0|2,0,1]=4 735 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [1,0,0,0,0,0|2,0,1]=4 736 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [1,0,0,0,0,0|2,0,1]=4 737 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [1,0,0,0,0,0|2,0,1]=4 738 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,0,0,0,0,0|3,0,0]=4 739 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,0,0,0,0,0|3,0,0]=4 740 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,0,0,0,0,0|2,0,0]=3 741 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,0,0,0,0,0|2,0,0]=3 742 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,0,0,0,0|1,0,0]=2 743 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,0,0,0,0|1,0,0]=2 744 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,0,0,0,0|1,0,0]=2 745 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,0,0,0,0,0|2,0,0]=3 746 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,0,0,0,0|1,0,0]=2 747 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,0,0,0,0|1,0,0]=2 748 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,0,0,0,0|1,0,0]=2 749 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,0,0,0,0|1,0,0]=2 750 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,0,0,0,0|1,0,0]=2 751 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,0,0,0,0|1,0,0]=2 752 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,0,0,0,0|0,0,0]=1 753 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,0,0,0,0|0,0,0]=1 754 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,0,0,0,0|0,0,0]=1 755 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,0,0,0,0|0,0,0]=1 756 B5R0.5 CC(N)C(C)N MCULE-6724099648 [1,0,0,0,0,0|2,0,1]=4 757 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,0,0,0,0,0|1,0,1]=3 758 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,0,0,0,0,0|1,0,1]=3 759 B5R0.5 CC(N)C(F)F MCULE-5449346446 [1,0,0,0,0,0|2,0,1]=4 760 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,0,0,0,0,0|3,0,0]=4 761 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,0,0,0,0,0|3,0,0]=4 762 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,0,0,0,0,0|2,0,0]=3 763 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,0,0,0,0,0|2,0,0]=3 764 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,0,0,0,0|1,0,0]=2 765 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,0,0,0,0|1,0,0]=2 766 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,0,0,0,0,0|1,0,1]=3 767 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,0,0,0,0,0|1,0,1]=3 768 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,0,0,0,0,0|1,0,1]=3 769 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [1,0,0,0,0,0|2,0,1]=4 770 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [1,0,0,0,0,0|2,0,1]=4 771 B5R0.5 CC(O)C(C)O MCULE-2858785316 [1,0,0,0,0,0|2,0,1]=4 772 B5R0.5 CC(O)C(C)S MCULE-3741743569 [1,0,0,0,0,0|2,0,1]=4 773 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,0,0,0,0|2,0,0]=3 774 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,0,0,0,0|1,0,0]=2 775 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,0,0,0,0,0|3,0,0]=4 776 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,0,0,0,0|3,0,0]=4 777 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,0,0,0,0|2,0,0]=3 778 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,0,0,0,0,0|2,0,1]=4 779 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,0,0,0,0|2,0,0]=3 780 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [1,0,0,0,0,0|2,1,0]=4 781 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,0,0,0,0|1,0,0]=2 782 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,0,0,0,0|1,0,0]=2 783 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,0,0,0,0,0|2,0,0]=3 784 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,0,0,0,0|1,0,0]=2 785 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,0,0,0,0|1,0,0]=2 786 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,0,0,0,0,0|2,0,0]=3 787 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,0,0,0,0|1,0,0]=2 788 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,0,0,0,0|1,0,0]=2 789 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,0,0,0,0|1,0,0]=2 790 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,0,0,0,0|1,0,0]=2 791 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,0,0,0,0|0,0,0]=1 792 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,0,0,0,0|0,0,0]=1 793 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [1,0,0,0,0,0|2,0,1]=4 794 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [1,0,0,0,0,0|2,0,1]=4 795 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [1,0,0,0,0,0|2,0,1]=4 796 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,0,0,0,0,0|1,0,1]=3 797 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,0,0,0,0,0|1,0,1]=3 798 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,0,0,0,0,0|1,0,1]=3 799 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,0,0,0,0,0|1,0,1]=3 800 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,0,0,0,0,0|1,0,1]=3 801 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,0,0,0,0,0|3,0,0]=4 802 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,0,0,0,0,0|3,0,0]=4 803 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,0,0,0,0,0|3,0,0]=4 804 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,0,0,0,0,0|3,0,0]=4 805 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,0,0,0,0,0|2,0,0]=3 806 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,0,0,0,0,0|2,0,0]=3 807 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,0,0,0,0|1,0,0]=2 808 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,0,0,0,0|1,0,0]=2 809 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,0,0,0,0,0|1,0,1]=3 810 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,0,0,0,0,0|1,0,1]=3 811 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,0,0,0,0,0|1,0,1]=3 812 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [1,0,0,0,0,0|2,0,1]=4 813 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [1,0,0,0,0,0|2,0,1]=4 814 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [1,0,0,0,0,0|2,0,1]=4 815 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,0,0,0,0,0|2,0,0]=3 816 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,0,0,0,0|1,0,0]=2 817 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,0,0,0,0|1,0,0]=2 818 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,0,0,0,0|1,0,0]=2 819 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,0,0,0,0|1,0,0]=2 820 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,0,0,0,0,0|2,0,0]=3 821 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,0,0,0,0|1,0,0]=2 822 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,0,0,0,0|1,0,0]=2 823 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,0,0,0,0|1,0,0]=2 824 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,0,0,0,0|1,0,0]=2 825 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,0,0,0,0|1,0,0]=2 826 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,0,0,0,0|1,0,0]=2 827 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,0,0,0,0|1,0,0]=2 828 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,0,0,0,0|1,0,0]=2 829 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,0,0,0,0|0,0,0]=1 830 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,0,0,0,0|0,0,0]=1 831 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,0,0,0,0|0,0,0]=1 832 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,0,0,0,0|0,0,0]=1 833 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,0,0,0,0,0|1,0,1]=3 834 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,0,0,0,0,0|1,0,1]=3 835 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [1,0,0,0,0,0|2,0,1]=4 836 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,0,0,0,0,0|1,0,1]=3 837 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,0,0,0,0,0|1,0,1]=3 838 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,0,0,0,0,0|1,0,1]=3 839 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,0,0,0,0,0|1,0,1]=3 840 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,0,0,0,0,0|2,0,0]=3 841 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,0,0,0,0|1,0,0]=2 842 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,0,0,0,0|1,0,0]=2 843 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,0,0,0,0,0|1,0,1]=3 844 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,0,0,0,0,0|1,0,1]=3 845 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,0,0,0,0,0|1,0,1]=3 846 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,0,0,0,0,0|1,0,1]=3 847 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,0,0,0,0,0|1,0,1]=3 848 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,0,0,0,0,0|1,0,1]=3 849 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,0,0,0,0,0|1,0,1]=3 850 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,0,0,0,0,0|1,0,1]=3 851 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,0,0,0,0,0|1,0,1]=3 852 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [1,0,0,0,0,0|2,0,1]=4 853 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [1,0,0,0,0,0|2,0,1]=4 854 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [1,0,0,0,0,0|2,0,1]=4 855 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [1,0,0,0,0,0|2,0,1]=4 856 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [1,0,0,0,0,0|2,0,1]=4 857 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,0,0,0,0,0|1,1,1]=4 858 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,0,0,0,0|0,1,1]=3 859 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [1,0,0,0,0,0|0,1,2]=4 860 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [1,0,0,0,0,0|0,1,2]=4 861 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,0,0,0,0,0|3,0,0]=4 862 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,0,0,0,0,0|3,0,0]=4 863 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,0,0,0,0,0|3,0,0]=4 864 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,0,0,0,0,0|3,0,0]=4 865 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,0,0,0,0,0|3,0,0]=4 866 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,0,0,0,0,0|3,0,0]=4 867 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,0,0,0,0|0,1,0]=2 868 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [1,0,0,0,0,0|3,0,0]=4 869 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [1,0,0,0,0,0|3,0,0]=4 870 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [1,0,0,0,0,0|3,0,0]=4 871 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [1,0,0,0,0,0|3,0,0]=4 872 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,0,0,0,0,0|1,1,1]=4 873 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,0,0,0,0,0|1,1,1]=4 874 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,0,0,0,0,0|1,1,1]=4 875 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,0,0,0,0,0|1,1,1]=4 876 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,0,0,0,0,0|1,1,1]=4 877 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,0,0,0,0,0|1,1,1]=4 878 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,0,0,0,0,0|1,1,1]=4 879 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,0,0,0,0,0|1,1,1]=4 880 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,0,0,0,0,0|1,1,1]=4 881 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,0,0,0,0,0|1,1,1]=4 882 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,0,0,0,0,0|1,1,1]=4 883 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,0,0,0,0,0|2,0,0]=3 884 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,0,0,0,0,0|2,0,0]=3 885 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,0,0,0,0,0|2,0,0]=3 886 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,0,0,0,0,0|2,0,0]=3 887 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,0,0,0,0,0|2,0,0]=3 888 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,0,0,0,0,0|2,0,0]=3 889 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,0,0,0,0,0|2,0,0]=3 890 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,0,0,0,0|1,1,0]=3 891 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,0,0,0,0,0|2,0,0]=3 892 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,0,0,0,0,0|2,0,0]=3 893 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [1,0,0,0,0,0|2,0,1]=4 894 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [1,0,0,0,0,0|2,0,1]=4 895 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [1,0,0,0,0,0|2,0,1]=4 896 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [1,0,0,0,0,0|3,0,0]=4 897 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,0,0,0,0,0|2,0,0]=3 898 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,1,0,0,0,0|2,0,0]=3 899 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,1,0,0,0,0|2,0,0]=3 900 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,1,0,0,0,0|1,0,0]=2 901 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,1,0,0,0,0|1,0,0]=2 902 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,1,0,0,0,0|1,0,0]=2 903 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,1,0,0,0,0|1,0,0]=2 904 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,1,0,0,0,0|2,0,0]=3 905 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,1,0,0,0,0|1,0,0]=2 906 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,1,0,0,0,0|1,0,0]=2 907 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,1,0,0,0,0|1,0,0]=2 908 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,1,0,0,0,0|1,0,0]=2 909 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,1,0,0,0,0|1,0,0]=2 910 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,1,0,0,0,0|1,0,0]=2 911 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,1,0,0,0,0|1,0,0]=2 912 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,1,0,0,0,0|1,0,0]=2 913 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,1,0,0,0,0|1,1,1]=4 915 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,1,0,0,0,0|1,1,1]=4 916 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,1,0,0,0,0|2,0,1]=4 917 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,1,0,0,0,0|3,0,0]=4 918 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,1,0,0,0,0|2,0,0]=3 919 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,1,0,0,0,0|1,0,0]=2 920 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,1,0,0,0,0|1,0,0]=2 921 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,1,0,0,0,0|1,0,0]=2 922 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,1,0,0,0,0|1,0,0]=2 923 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,1,0,0,0,0|2,0,0]=3 924 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,1,0,0,0,0|1,0,0]=2 925 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,1,0,0,0,0|1,0,0]=2 926 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,1,0,0,0,0|1,0,0]=2 927 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,1,0,0,0,0|1,0,0]=2 928 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,1,0,0,0,0|2,0,0]=3 929 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,1,0,0,0,0|1,0,0]=2 930 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,1,0,0,0,0|1,0,0]=2 931 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,1,0,0,0,0|1,0,0]=2 932 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,1,0,0,0,0|1,0,0]=2 933 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,1,0,0,0,0|2,0,0]=3 934 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,1,0,0,0,0|3,0,0]=4 935 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,1,0,0,0,0|3,0,0]=4 936 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,1,0,0,0,0|2,1,0]=4 937 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,1,0,0,0,0|3,0,0]=4 938 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,1,0,0,0,0|2,1,0]=4 939 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,1,0,0,0,0|3,0,0]=4 940 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,1,0,0,0,0|2,1,0]=4 943 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,0,0,0,0|1,1,0]=3 944 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,0,0,0,0|1,1,1]=4 945 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,1,0,0,0,0|3,0,0]=4 946 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,1,0,0,0,0|3,0,0]=4 947 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,1,0,0,0,0|1,1,1]=4 948 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,1,0,0,0,0|2,0,1]=4 949 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,1,0,0,0,0|2,0,1]=4 950 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,1,0,0,0,0|2,0,1]=4 951 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,1,0,0,0,0|2,0,1]=4 952 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,1,0,0,0,0|2,0,1]=4 953 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,1,0,0,0,0|2,0,1]=4 954 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,1,0,0,0,0|2,0,0]=3 956 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,1,0,0,0,0|3,0,0]=4 958 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,1,0,0,0,0|3,0,0]=4 959 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,1,0,0,0,0|2,0,0]=3 960 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,1,0,0,0,0|2,0,0]=3 961 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,1,0,0,0,0|2,0,0]=3 962 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,0,0,0,0|2,0,0]=3 963 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,0,0,0,0|2,0,0]=3 964 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,0,0,0,0|1,0,0]=2 965 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,0,0,0,0|1,0,0]=2 966 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,0,0,0,0|1,0,0]=2 967 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,1,0,0,0,0|2,0,0]=3 969 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,1,0,0,0,0|2,0,0]=3 970 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,0,0,0,0|1,0,0]=2 971 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,0,0,0,0|1,0,0]=2 972 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,1,0,0,0,0|2,0,0]=3 973 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,1,0,0,0,0|2,0,0]=3 974 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,0,0,0,0|2,0,0]=3 975 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,0,0,0,0|2,0,0]=3 976 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,0,0,0,0|2,0,0]=3 977 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,0,0,0,0|2,0,0]=3 978 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,0,0,0,0|1,0,0]=2 979 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,0,0,0,0|1,0,0]=2 980 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,0,0,0,0|1,0,0]=2 981 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,1,0,0,0,0|2,0,0]=3 982 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,1,0,0,0,0|2,0,0]=3 983 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,1,0,0,0,0|2,0,1]=4 984 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,1,0,0,0,0|3,0,0]=4 985 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,1,0,0,0,0|3,0,0]=4 986 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,1,0,0,0,0|2,0,0]=3 987 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,1,0,0,0,0|2,0,0]=3 988 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,1,0,0,0,0|2,0,0]=3 989 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,0,0,0,0|2,0,1]=4 990 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,1,0,0,0,0|2,0,0]=3 991 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,1,0,0,0,0|2,0,0]=3 992 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,1,0,0,0,0|2,0,0]=3 993 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,1,0,0,0,0|2,0,0]=3 994 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,1,0,0,0,0|1,0,0]=2 995 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,1,0,0,0,0|1,0,0]=2 996 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,1,0,0,0,0|1,0,0]=2 997 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,1,0,0,0,0|1,0,0]=2 998 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,1,0,0,0,0|1,0,0]=2 999 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,1,0,0,0,0|1,0,0]=2 1000 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,1,0,0,0,0|1,1,0]=3 1001 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,1,0,0,0,0|2,1,0]=4 1002 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,0,0,0,0|1,1,0]=3 1003 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,1,0,0,0,0|1,1,0]=3 1004 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,1,0,0,0,0|1,1,0]=3 1005 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,1,0,0,0,0|1,1,0]=3 1006 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,1,0,0,0,0|0,1,0]=2 1007 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,1,0,0,0,0|0,1,0]=2 1008 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,1,0,0,0,0|0,1,0]=2 1009 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,1,0,0,0,0|0,1,0]=2 1010 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,1,0,0,0,0|1,1,0]=3 1011 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,1,0,0,0,0|0,1,0]=2 1012 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,1,0,0,0,0|0,1,0]=2 1013 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,1,0,0,0,0|0,1,0]=2 1014 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,1,0,0,0,0|0,1,0]=2 1015 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,1,0,0,0,0|0,1,0]=2 1016 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,1,0,0,0,0|0,1,0]=2 1017 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,1,0,0,0,0|0,1,0]=2 1018 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,1,0,0,0,0|0,1,0]=2 1019 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,1,0,0,0,0|1,1,0]=3 1020 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,1,0,0,0,0|0,1,0]=2 1021 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,1,0,0,0,0|0,1,0]=2 1022 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,1,0,0,0,0|0,1,0]=2 1023 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,1,0,0,0,0|1,1,0]=3 1024 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,1,0,0,0,0|3,0,0]=4 1025 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,1,0,0,0,0|3,0,0]=4 1026 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,1,0,0,0,0|3,0,0]=4 1027 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,1,0,0,0,0|3,0,0]=4 1028 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,1,0,0,0,0|3,0,0]=4 1029 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,1,0,0,0,0|3,0,0]=4 1030 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,1,0,0,0,0|1,1,1]=4 1031 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,1,0,0,0,0|1,1,1]=4 1032 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,1,0,0,0,0|0,0,0]=1 1033 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,1,0,0,0,0|0,0,0]=1 1034 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,1,0,0,0,0|0,0,0]=1 1035 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,1,0,0,0,0|0,0,0]=1 1036 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,1,0,0,0,0|0,0,0]=1 1037 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,1,0,0,0,0|0,0,0]=1 1038 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,1,0,0,0,0|1,0,0]=2 1039 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,1,0,0,0,0|1,0,0]=2 1040 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,1,0,0,0,0|1,0,0]=2 1041 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,1,0,0,0,0|3,0,0]=4 1042 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,0,0,0,0|1,0,0]=2 1043 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,0,0,0,0|1,0,0]=2 1044 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,0,0,0,0|1,0,0]=2 1045 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,0,0,0,0|1,0,0]=2 1046 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,0,0,0,0|0,1,0]=2 1047 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,0,0,0,0|0,1,0]=2 1048 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,0,0,0,0|0,1,0]=2 1049 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,0,0,0,0|0,1,0]=2 1050 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,0,0,0,0|0,1,0]=2 1051 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,0,0,0,0|2,0,0]=3 1052 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,0,0,0,0|2,0,0]=3 1053 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,0,0,0,0|1,0,0]=2 1054 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,0,0,0,0|1,0,0]=2 1055 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,0,0,0,0|1,0,0]=2 1056 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,0,0,0,0|1,0,0]=2 1057 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,0,0,0,0|1,0,0]=2 1058 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,0,0,0,0|1,0,0]=2 1059 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,0,0,0,0|1,0,0]=2 1060 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,0,0,0,0|2,0,0]=3 1061 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,0,0,0,0|2,0,0]=3 1062 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,0,0,0,0|1,0,0]=2 1063 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,0,0,0,0|1,0,0]=2 1064 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,0,0,0,0|1,0,0]=2 1065 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,0,0,0,0|1,0,0]=2 1066 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,0,0,0,0|2,0,0]=3 1067 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,0,0,0,0|1,0,0]=2 1068 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,0,0,0,0|1,0,0]=2 1069 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,0,0,0,0|1,0,0]=2 1070 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,0,0,0,0|1,0,0]=2 1071 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,0,0,0,0|1,0,0]=2 1072 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,0,0,0,0|1,0,0]=2 1073 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,0,0,0,0|1,0,0]=2 1074 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,0,0,0,0|1,0,0]=2 1075 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,0,0,0,0|1,0,0]=2 1076 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,0,0,0,0|2,0,0]=3 1077 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,0,0,0,0|2,0,0]=3 1078 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,1,0,0,0,0|0,1,0]=2 1079 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,0,0,0,0|1,0,0]=2 1080 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,0,0,0,0|1,0,0]=2 1082 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,0,0,0,0|1,0,0]=2 1083 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,0,0,0,0|0,1,0]=2 1084 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,0,0,0,0|0,1,0]=2 1085 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,0,0,0,0|0,1,0]=2 1086 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,0,0,0,0|0,1,0]=2 1087 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,1,0,0,0,0|0,1,0]=2 1088 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,0,0,0,0|1,0,0]=2 1089 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,0,0,0,0|1,0,0]=2 1090 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,0,0,0,0|0,1,0]=2 1091 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,0,0,0,0|0,1,0]=2 1092 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,0,0,0,0|0,1,0]=2 1093 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,0,0,0,0|0,1,0]=2 1094 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,1,0,0,0,0|3,0,0]=4 1095 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,1,0,0,0,0|3,0,0]=4 1096 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,1,0,0,0,0|3,0,0]=4 1097 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,1,0,0,0,0|2,0,0]=3 1098 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,1,0,0,0,0|1,1,0]=3 1099 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,1,0,0,0,0|1,0,0]=2 1100 B7R0.10 C=C(CBr)C(=O)OC MCULE-7991860093 [0,1,0,0,0,0|2,0,1]=4 1101 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,1,0,0,0,0|2,0,1]=4 1102 B7R0.10 C=C(CCl)C(=O)OC MCULE-8356509776 [0,1,0,0,0,0|2,0,1]=4 1103 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,1,0,0,0,0|1,1,1]=4 1104 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,1,0,0,0,0|2,0,1]=4 1105 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,1,0,0,0,0|1,0,1]=3 1106 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,1,0,0,0,0|1,0,1]=3 1107 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,1,0,0,0,0|2,0,1]=4 1108 B7R0.10 CC(CCl)C(=N)NO MCULE-4023987029 [0,1,0,0,0,0|3,0,0]=4 1109 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,1,0,0,0,0|2,0,1]=4 1110 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,1,0,0,0,0|3,0,0]=4 1111 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,1,0,0,0,0|3,0,0]=4 1112 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,1,0,0,0,0|2,0,0]=3 1113 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [0,1,0,0,0,0|3,0,0]=4 1114 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [0,1,0,0,0,0|3,0,0]=4 1115 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,1,0,0,0,0|3,0,0]=4 1116 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,1,0,0,0,0|3,0,0]=4 1117 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,1,0,0,0,0|3,0,0]=4 1118 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,1,0,0,0,0|3,0,0]=4 1119 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,1,0,0,0,0|2,0,0]=3 1120 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,1,0,0,0,0|2,0,0]=3 1121 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,1,0,0,0,0|2,0,0]=3 1122 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,1,0,0,0,0|2,0,0]=3 1123 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,1,0,0,0,0|1,0,0]=2 1124 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,1,0,0,0,0|1,0,0]=2 1125 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,1,0,0,0,0|1,0,0]=2 1126 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,1,0,0,0,0|1,0,0]=2 1127 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,1,0,0,0,0|1,0,0]=2 1128 B7R0.10 CCC(N)C(O)CC MCULE-3578258801 [0,1,0,0,0,0|2,0,1]=4 1129 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,1,0,0,0,0|2,0,0]=3 1130 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,1,0,0,0,0|2,0,0]=3 1131 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,1,0,0,0,0|1,0,0]=2 1132 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,1,0,0,0,0|1,0,0]=2 1133 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,1,0,0,0,0|1,0,0]=2 1134 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,1,0,0,0,0|1,0,0]=2 1135 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,1,0,0,0,0|2,0,0]=3 1136 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,1,0,0,0,0|2,0,0]=3 1137 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,1,0,0,0,0|2,0,0]=3 1138 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,1,0,0,0,0|1,0,0]=2 1139 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,1,0,0,0,0|1,0,0]=2 1140 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,1,0,0,0,0|1,0,0]=2 1141 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,1,0,0,0,0|1,0,0]=2 1142 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,1,0,0,0,0|2,0,0]=3 1143 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,1,0,0,0,0|2,0,0]=3 1144 B7R0.10 CNC(=O)C(C)CN MCULE-6853199259 [0,1,0,0,0,0|3,0,0]=4 1145 B7R0.10 CNC(=O)C(C)CN MCULE-9315732080 [0,1,0,0,0,0|3,0,0]=4 1146 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,1,0,0,0,0|1,1,0]=3 1147 B7R0.10 CNC(=O)C(O)CN MCULE-4650373222 [0,1,0,0,0,0|3,0,0]=4 1148 B7R0.10 CNC(=O)C(O)CN MCULE-8978952332 [0,1,0,0,0,0|3,0,0]=4 1149 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,1,0,0,0,0|3,0,0]=4 1150 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,1,0,0,0,0|3,0,0]=4 1151 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,1,0,0,0,0|3,0,0]=4 1152 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,1,0,0,0,0|3,0,0]=4 1153 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,1,0,0,0,0|3,0,0]=4 1154 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,1,0,0,0,0|3,0,0]=4 1155 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,1,0,0,0,0|3,0,0]=4 1156 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,1,0,0,0,0|3,0,0]=4 1157 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,1,0,0,0,0|3,0,0]=4 1158 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,1,0,0,0,0|3,0,0]=4 1159 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [0,1,0,0,0,0|1,1,1]=4 1160 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,1,0,0,0,0|2,0,1]=4 1161 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,1,0,0,0,0|2,0,0]=3 1162 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,1,0,0,0,0|2,0,0]=3 1163 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,1,0,0,0,0|1,1,0]=3 1164 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,1,0,0,0,0|1,1,0]=3 1165 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,1,0,0,0,0|3,0,0]=4 1166 B7R0.10 COC(=O)C(C)C#N MCULE-3764857061 [0,1,0,0,0,0|2,0,1]=4 1167 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,1,0,0,0,0|1,1,1]=4 1168 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,1,0,0,0,0|2,0,0]=3 1169 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,1,0,0,0,0|2,0,0]=3 1170 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,1,0,0,0,0|2,0,0]=3 1171 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,1,0,0,0,0|2,0,0]=3 1172 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,1,0,0,0,0|1,1,0]=3 1173 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,1,0,0,0,0|1,1,0]=3 1174 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,1,0,0,0,0|1,1,0]=3 1175 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,1,0,0,0,0|3,0,0]=4 1176 B7R0.10 COC(=O)C(C)ON MCULE-1829014190 [0,1,0,0,0,0|3,0,0]=4 1177 B7R0.10 COC(=O)C(C)ON MCULE-4104938309 [0,1,0,0,0,0|3,0,0]=4 1178 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,1,0,0,0,0|3,0,0]=4 1179 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,1,0,0,0,0|1,1,1]=4 1180 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,1,0,0,0,0|2,0,0]=3 1181 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,1,0,0,0,0|1,1,0]=3 1182 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,1,0,0,0,0|3,0,0]=4 1183 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,1,0,0,0,0|2,0,0]=3 1184 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,1,0,0,0,0|2,0,0]=3 1185 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,1,0,0,0,0|1,1,0]=3 1186 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,1,0,0,0,0|1,0,1]=3 1187 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,1,0,0,0,0|1,0,0]=2 1188 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,1,0,0,0,0|1,0,0]=2 1189 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,1,0,0,0,0|1,0,0]=2 1190 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,1,0,0,0,0|1,0,0]=2 1191 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,1,0,0,0,0|1,0,0]=2 1192 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,1,0,0,0,0|1,0,0]=2 1193 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,1,0,0,0,0|1,0,0]=2 1194 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,1,0,0,0,0|1,0,0]=2 1195 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,1,0,0,0,0|0,1,0]=2 1196 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,1,0,0,0,0|0,1,0]=2 1197 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,1,0,0,0,0|0,1,0]=2 1198 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,1,0,0,0,0|0,1,0]=2 1199 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,1,0,0,0,0|0,1,0]=2 1200 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,1,0,0,0,0|0,1,0]=2 1201 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,1,0,0,0,0|0,1,0]=2 1202 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,1,0,0,0,0|0,1,0]=2 1203 B7R0.10 COC(=O)C(O)C#N MCULE-2296440580 [0,1,0,0,0,0|2,0,1]=4 1204 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,1,0,0,0,0|2,0,0]=3 1205 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,1,0,0,0,0|2,0,0]=3 1206 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,1,0,0,0,0|2,0,0]=3 1207 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,1,0,0,0,0|1,1,0]=3 1208 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,1,0,0,0,0|1,1,0]=3 1209 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,1,0,0,0,0|3,0,0]=4 1210 B7R0.10 COC(=O)N(C)CCl MCULE-8717315487 [0,1,0,0,0,0|3,0,0]=4 1211 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,1,0,0,0,0|1,1,0]=3 1212 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,1,0,0,0,0|1,1,0]=3 1213 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,1,0,0,0,0|2,0,0]=3 1214 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,1,0,0,0,0|2,0,0]=3 1215 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,1,0,0,0,0|2,0,0]=3 1216 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,1,0,0,0,0|2,0,0]=3 1217 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,1,0,0,0,0|1,1,0]=3 1218 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,1,0,0,0,0|1,1,0]=3 1219 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,1,0,0,0,0|2,0,0]=3 1220 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,1,0,0,0,0|2,0,0]=3 1221 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,1,0,0,0,0|2,0,0]=3 1222 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,1,0,0,0,0|2,0,0]=3 1223 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,1,0,0,0,0|1,0,0]=2 1224 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,1,0,0,0,0|1,0,0]=2 1225 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,1,0,0,0,0|1,0,0]=2 1226 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,1,0,0,0,0|1,0,0]=2 1227 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,1,0,0,0,0|1,0,0]=2 1228 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,1,0,0,0,0|1,0,0]=2 1229 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,1,0,0,0,0|1,0,0]=2 1230 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,1,0,0,0,0|1,0,0]=2 1231 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,1,0,0,0,0|0,1,0]=2 1232 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,1,0,0,0,0|0,1,0]=2 1233 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,1,0,0,0,0|0,1,0]=2 1234 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,1,0,0,0,0|0,1,0]=2 1235 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,1,0,0,0,0|0,1,0]=2 1236 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,1,0,0,0,0|0,1,0]=2 1237 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,1,0,0,0,0|0,1,0]=2 1238 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,1,0,0,0,0|0,1,0]=2 1239 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,1,0,0,0,0|2,0,0]=3 1240 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,1,0,0,0,0|2,0,0]=3 1241 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,1,0,0,0,0|2,0,0]=3 1242 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,1,0,0,0,0|2,0,0]=3 1243 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,1,0,0,0,0|1,1,0]=3 1244 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,1,0,0,0,0|1,1,0]=3 1245 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,1,0,0,0,0|1,1,0]=3 1246 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,1,0,0,0,0|1,1,1]=4 1247 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,1,0,0,0,0|2,0,0]=3 1248 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,1,0,0,0,0|2,0,0]=3 1249 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,1,0,0,0,0|2,0,0]=3 1250 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,1,0,0,0,0|2,0,0]=3 1251 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,1,0,0,0,0|1,1,0]=3 1252 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,1,0,0,0,0|1,1,0]=3 1253 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,1,0,0,0,0|3,0,0]=4 1254 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,1,0,0,0,0|1,0,0]=2 1255 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,1,0,0,0,0|1,0,0]=2 1256 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,1,0,0,0,0|1,0,0]=2 1257 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,1,0,0,0,0|1,0,0]=2 1258 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,1,0,0,0,0|0,1,0]=2 1259 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,1,0,0,0,0|0,1,0]=2 1260 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,1,0,0,0,0|0,1,0]=2 1261 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,1,0,0,0,0|0,1,0]=2 1262 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,1,0,0,0,0|0,1,0]=2 1263 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,1,0,0,0,0|0,1,0]=2 1264 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,1,0,0,0,0|0,1,0]=2 1265 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,1,0,0,0,0|0,1,0]=2 1266 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,1,0,0,0,0|2,0,0]=3 1268 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,1,0,0,0,0|1,1,0]=3 1269 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,1,0,0,0,0|1,1,0]=3 1270 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,1,0,0,0,0|1,0,0]=2 1271 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,1,0,0,0,0|1,1,0]=3 1272 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,1,0,0,0,0|1,1,0]=3 1273 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,1,0,0,0,0|1,1,0]=3 1274 B7R0.10 N[C@@H](CO)[C@@H](N)CO MCULE-2394488011 [0,1,0,0,0,0|1,1,1]=4 1275 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,1,0,0,0,0|1,1,0]=3 1276 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,1,0,0,0,0|1,1,0]=3 1277 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,1,0,0,0,0|1,1,0]=3 1278 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,1,0,0,0,0|1,1,0]=3 1279 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,1,0,0,0,0|1,1,1]=4 1280 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,1,0,0,0,0|1,1,1]=4 1281 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,1,0,0,0,0|1,1,1]=4 1282 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,1,0,0,0,0|1,1,1]=4 1283 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,1,0,0,0,0|1,1,1]=4 1284 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,1,0,0,0,0|1,1,1]=4 1285 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,1,0,0,0,0|1,1,1]=4 1286 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,1,0,0,0,0|3,0,0]=4 1287 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,1,0,0,0,0|3,0,0]=4 1288 B7R0.13 C#CC(C)(C)C(=O)O MCULE-4971472343 [0,1,0,0,0,0|2,0,1]=4 1289 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,1,0,0,0,0|2,0,1]=4 1290 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,1,0,0,0,0|2,0,1]=4 1291 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,1,0,0,0,0|1,0,1]=3 1292 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,1,0,0,0,0|2,1,0]=4 1293 B7R0.13 CC(=O)C(F)(F)CBr MCULE-6144124710 [0,1,0,0,0,0|3,0,0]=4 1294 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,1,0,0,0,0|2,0,0]=3 1295 B7R0.13 CC(C)(C#N)C(=O)O MCULE-8297007076 [0,1,0,0,0,0|2,0,1]=4 1296 B7R0.13 CC(C)(CBr)C(=O)Cl MCULE-2173837084 [0,1,0,0,0,0|3,0,0]=4 1297 B7R0.13 CC(C)(CBr)C(=O)F MCULE-3596602192 [0,1,0,0,0,0|3,0,0]=4 1298 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,1,0,0,0,0|3,0,0]=4 1299 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,1,0,0,0,0|2,0,0]=3 1300 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,1,0,0,0,0|2,0,0]=3 1301 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,1,0,0,0,0|2,0,0]=3 1302 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,1,0,0,0,0|3,0,0]=4 1303 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,1,0,0,0,0|2,0,0]=3 1304 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,1,0,0,0,0|2,0,0]=3 1305 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,1,0,0,0,0|1,1,0]=3 1306 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,1,0,0,0,0|3,0,0]=4 1307 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,1,0,0,0,0|3,0,0]=4 1308 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,1,0,0,0,0|2,0,0]=3 1309 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,0,0,0,0|0,1,0]=2 1310 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,0,0,0,0|0,1,0]=2 1311 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,0,0,0,0|0,1,0]=2 1312 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,0,0,0,0|0,1,0]=2 1313 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,1,0,0,0,0|2,0,0]=3 1314 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,1,0,0,0,0|2,0,0]=3 1315 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,1,0,0,0,0|1,1,0]=3 1316 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,1,0,0,0,0|3,0,0]=4 1317 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,1,0,0,0,0|2,0,0]=3 1318 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,1,0,0,0,0|3,0,0]=4 1319 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,1,0,0,0,0|3,0,0]=4 1320 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,1,0,0,0,0|2,0,0]=3 1321 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,1,0,0,0,0|2,0,0]=3 1322 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,0,0,0,0|1,0,0]=2 1323 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,0,0,0,0|1,0,0]=2 1324 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,0,0,0,0|1,0,0]=2 1325 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,1,0,0,0,0|3,0,0]=4 1326 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,1,0,0,0,0|3,0,0]=4 1327 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,1,0,0,0,0|3,0,0]=4 1328 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,1,0,0,0,0|2,0,0]=3 1329 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,1,0,0,0,0|2,0,0]=3 1330 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,1,0,0,0,0|2,0,0]=3 1331 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,1,0,0,0,0|2,0,1]=4 1332 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,0,0,0,0|1,0,0]=2 1333 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,0,0,0,0|1,0,0]=2 1334 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,0,0,0,0|1,0,0]=2 1335 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,0,0,0,0|1,0,0]=2 1336 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,0,0,0,0|1,0,0]=2 1337 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,0,0,0,0|1,0,0]=2 1338 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,0,0,0,0|1,0,0]=2 1339 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,0,0,0,0|1,0,0]=2 1340 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,1,0,0,0,0|2,0,0]=3 1341 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,1,0,0,0,0|3,0,0]=4 1342 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,1,0,0,0,0|3,0,0]=4 1343 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,1,0,0,0,0|3,0,0]=4 1344 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,1,0,0,0,0|3,0,0]=4 1345 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,0,0,0,0|0,1,0]=2 1346 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,0,0,0,0|0,1,0]=2 1347 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,0,0,0,0|0,1,0]=2 1348 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,0,0,0,0|0,1,0]=2 1349 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,0,0,0,0|0,1,0]=2 1350 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,0,0,0,0|0,1,0]=2 1351 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,1,0,0,0,0|2,0,0]=3 1352 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,1,0,0,0,0|2,0,0]=3 1353 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,0,0,0,0|0,1,0]=2 1354 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,0,0,0,0|0,1,0]=2 1355 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,0,0,0,0|0,1,0]=2 1356 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,0,0,0,0|0,1,0]=2 1357 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,0,0,0,0|0,1,0]=2 1358 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,0,0,0,0|0,1,0]=2 1359 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,1,0,0,0,0|2,0,0]=3 1360 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,1,0,0,0,0|2,0,0]=3 1361 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,1,0,0,0,0|3,0,0]=4 1362 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,1,0,0,0,0|3,0,0]=4 1363 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,1,0,0,0,0|2,0,0]=3 1364 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,1,0,0,0,0|2,0,0]=3 1365 B7R0.13 O=C(Cl)C(F)(Cl)CCl MCULE-8770305626 [0,1,0,0,0,0|3,0,0]=4 1366 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,1,0,0,0,0|2,0,0]=3 1367 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,1,0,0,0,0|1,1,0]=3 1368 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,1,0,0,0,0|3,0,0]=4 1369 B7R0.14 CCC(N)C(C)(C)O MCULE-2452246439 [0,1,0,0,0,0|2,0,1]=4 1370 B7R0.14 CCC(N)C(C)(C)O MCULE-3686970762 [0,1,0,0,0,0|2,0,1]=4 1371 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,1,0,0,0,0|2,0,0]=3 1372 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,1,0,0,0,0|3,0,0]=4 1373 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-2250873384 [0,1,0,0,0,0|2,0,1]=4 1374 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-7069208023 [0,1,0,0,0,0|2,0,1]=4 1375 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-6344226071 [0,1,0,0,0,0|2,0,1]=4 1376 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-7677944024 [0,1,0,0,0,0|2,0,1]=4 1377 B7R0.14 O=S(=O)(O)C(O)CCl MCULE-7097420026 [0,1,0,0,0,0|3,0,0]=4 1378 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,1,0,0,0,0|2,0,1]=4 1379 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,1,0,0,0,0|2,1,0]=4 1380 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,1,0,0,0,0|2,0,1]=4 1381 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,1,0,0,0,0|1,0,1]=3 1382 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,1,0,0,0,0|3,0,0]=4 1383 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,1,0,0,0,0|3,0,0]=4 1384 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,1,0,0,0,0|3,0,0]=4 1385 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,1,0,0,0,0|2,0,0]=3 1386 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,0,0,0,0|1,0,0]=2 1387 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,0,0,0,0|1,0,0]=2 1388 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,0,0,0,0|1,1,0]=3 1389 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,1,0,0,0,0|1,1,1]=4 1390 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,1,0,0,0,0|2,0,0]=3 1391 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,1,0,0,0,0|2,0,0]=3 1392 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,0,0,0,0|1,0,0]=2 1393 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,0,0,0,0|1,0,0]=2 1394 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,0,0,0,0|1,0,0]=2 1395 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,0,0,0,0|1,0,0]=2 1396 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,1,0,0,0,0|3,0,0]=4 1397 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,1,0,0,0,0|2,0,0]=3 1398 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,1,0,0,0,0|2,0,0]=3 1399 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,0,0,0,0|1,0,0]=2 1400 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,0,0,0,0|1,0,0]=2 1401 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,0,0,0,0|1,0,0]=2 1402 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,0,0,0,0|1,0,0]=2 1403 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,0,0,0,0|1,0,0]=2 1404 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,0,0,0,0|1,1,0]=3 1405 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,1,0,0,0,0|2,0,0]=3 1406 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,1,0,0,0,0|2,0,0]=3 1407 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,1,0,0,0,0|2,0,0]=3 1408 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,1,0,0,0,0|2,0,0]=3 1409 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,1,0,0,0,0|2,0,0]=3 1410 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,0,0,0,0|0,1,0]=2 1411 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,0,0,0,0|0,1,0]=2 1412 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,0,0,0,0|0,1,0]=2 1413 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,0,0,0,0|0,1,0]=2 1414 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,0,0,0,0|1,0,0]=2 1415 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,0,0,0,0|1,0,0]=2 1416 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,0,0,0,0|0,1,0]=2 1417 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,0,0,0,0|0,1,0]=2 1418 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,0,0,0,0|0,1,0]=2 1419 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,0,0,0,0|0,1,0]=2 1420 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,0,0,0,0|0,1,0]=2 1421 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,0,0,0,0|0,1,0]=2 1422 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,0,0,0,0|0,1,0]=2 1423 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,0,0,0,0|0,1,0]=2 1424 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,1,0,0,0,0|2,0,0]=3 1425 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,1,0,0,0,0|3,0,0]=4 1426 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,1,0,0,0,0|2,0,0]=3 1427 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,1,0,0,0,0|2,0,0]=3 1428 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,1,0,0,0,0|3,0,0]=4 1429 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,1,0,0,0,0|2,0,0]=3 1430 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,1,0,0,0,0|2,0,0]=3 1431 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,1,0,0,0,0|1,0,1]=3 1432 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,0,0,0,0|0,1,0]=2 1433 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,0,0,0,0|0,1,0]=2 1434 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,0,0,0,0|0,1,0]=2 1435 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,0,0,0,0|0,1,0]=2 1436 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,0,0,0,0|0,1,0]=2 1437 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,1,0,0,0,0|2,0,0]=3 1438 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,1,0,0,0,0|1,1,0]=3 1439 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,0,0,0,0|0,1,0]=2 1440 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,0,0,0,0|2,0,1]=4 1441 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|1,0,1]=3 1442 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|1,0,1]=3 1443 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|1,0,1]=3 1444 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|1,0,1]=3 1445 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,0|2,0,1]=4 1446 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|1,0,1]=3 1447 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|1,0,1]=3 1448 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|1,0,1]=3 1449 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|1,0,1]=3 1450 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,0,0,0,0|3,0,0]=4 1451 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,0,0,0,0|3,0,0]=4 1452 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|1,1,1]=4 1453 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|1,1,1]=4 1454 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|2,0,0]=3 1455 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|2,0,0]=3 1456 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,0|1,1,1]=4 1457 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,0|3,0,0]=4 1458 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,0|3,0,0]=4 1459 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,0|3,0,0]=4 1460 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,0,0,0,0|2,0,1]=4 1461 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,0,0,0,0|3,0,0]=4 1462 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,0,0,0,0|3,0,0]=4 1463 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,0,0|3,0,0]=4 1464 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|2,0,0]=3 1465 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|2,0,0]=3 1466 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,0,0,0,0|3,0,0]=4 1467 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|2,0,0]=3 1468 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,0,0,0,0|3,0,0]=4 1469 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|2,0,0]=3 1470 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|2,0,0]=3 1471 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,0|2,0,0]=3 1472 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,0|2,0,0]=3 1473 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|1,0,0]=2 1474 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|1,0,0]=2 1475 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|2,0,0]=3 1476 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|2,0,0]=3 1477 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|2,0,0]=3 1478 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|2,0,0]=3 1479 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,0|2,0,0]=3 1480 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,0|2,0,0]=3 1481 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,0|2,0,0]=3 1482 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,0|2,0,0]=3 1483 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|1,0,0]=2 1484 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|1,0,0]=2 1485 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|2,0,0]=3 1486 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|2,0,0]=3 1487 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|2,0,0]=3 1488 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|2,0,0]=3 1489 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|2,0,0]=3 1490 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|2,0,0]=3 1491 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|2,0,0]=3 1492 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|2,0,0]=3 1493 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,0|2,0,0]=3 1494 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,0|2,0,0]=3 1495 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,0|2,0,0]=3 1496 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,0|2,0,0]=3 1497 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,0|2,0,0]=3 1498 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,0|2,0,0]=3 1499 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|1,0,0]=2 1500 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|1,0,0]=2 1501 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|2,0,0]=3 1502 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|2,0,0]=3 1503 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|1,0,0]=2 1504 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|2,0,0]=3 1505 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|2,0,0]=3 1506 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|2,0,0]=3 1507 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|2,0,0]=3 1508 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|1,1,0]=3 1509 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|1,1,0]=3 1510 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|1,1,0]=3 1511 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|0,1,0]=2 1512 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|0,1,0]=2 1513 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,0|3,0,0]=4 1514 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,0|3,0,0]=4 1515 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,0|3,0,0]=4 1516 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|1,0,0]=2 1517 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|0,1,0]=2 1518 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|0,1,0]=2 1519 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|0,1,0]=2 1520 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|0,1,0]=2 1521 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|1,1,0]=3 1522 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|1,1,0]=3 1523 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|1,1,0]=3 1524 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|1,1,0]=3 1525 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|1,1,0]=3 1526 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|1,1,0]=3 1527 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|0,1,0]=2 1528 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|0,1,0]=2 1529 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|0,1,0]=2 1530 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|0,1,0]=2 1531 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|0,1,0]=2 1532 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|1,1,0]=3 1533 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,0|3,0,0]=4 1534 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,0|3,0,0]=4 1535 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|2,0,0]=3 1536 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|2,0,0]=3 1537 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|1,1,0]=3 1538 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|1,0,0]=2 1539 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|2,0,0]=3 1540 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|2,0,0]=3 1541 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|1,0,0]=2 1542 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|0,1,0]=2 1543 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|0,1,0]=2 1544 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|0,1,0]=2 1545 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|0,1,0]=2 1546 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|0,1,0]=2 1547 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|0,1,0]=2 1548 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,0|1,1,1]=4 1549 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|0,1,1]=3 1550 B7R0.16 O=C(O)C(=O)C(Br)Br MCULE-6847251467 [0,1,0,0,0,0|2,0,1]=4 1551 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,0|1,1,1]=4 1552 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,0|1,1,1]=4 1553 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,0|1,1,1]=4 1554 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,0|2,0,0]=3 1555 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,0,1,0,0|2,0,0]=3 1556 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,0,1,0,0|2,0,0]=3 1557 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,0,0,1,0,0|2,0,1]=4 1558 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,0,0,1,0,0|2,1,0]=4 1559 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,0,0,1,0,0|2,1,0]=4 1560 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,1,0,0|3,0,0]=4 1561 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,1,0,0|3,0,0]=4 1562 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,1,0,0|2,0,0]=3 1563 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,0,0,1,0,0|3,0,0]=4 1564 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,0,0,1,0,0|3,0,0]=4 1565 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,0,0,1,0,0|2,1,0]=4 1566 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,0,0,1,0,0|2,1,0]=4 1567 B7R1.4 CC1OCCC1N MCULE-4343663724 [0,0,0,1,0,0|2,0,1]=4 1568 B7R1.4 CC1OCCC1N MCULE-9003879039 [0,0,0,1,0,0|2,0,1]=4 1569 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,1,0,0|3,0,0]=4 1570 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,1,0,0|3,0,0]=4 1571 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [0,0,0,1,0,0|2,0,1]=4 1572 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [0,0,0,1,0,0|2,0,1]=4 1573 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,1,0,0|3,0,0]=4 1574 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [0,0,0,1,0,0|2,0,1]=4 1575 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [0,0,0,1,0,0|2,0,1]=4 1576 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [0,0,0,1,0,0|2,0,1]=4 1577 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [0,0,0,1,0,0|2,0,1]=4 1578 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,0,0,1,0,0|1,0,2]=4 1579 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,1,0,0|2,0,0]=3 1580 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,1,0,0|2,0,0]=3 1581 B7R1.4 NC1CCCC1O MCULE-1657591641 [0,0,0,1,0,0|2,0,1]=4 1582 B7R1.4 NC1CCCC1O MCULE-6248992494 [0,0,0,1,0,0|2,0,1]=4 1583 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,0,1,0,0|2,0,0]=3 1584 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,0,1,0,0|2,0,0]=3 1585 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,0,1,0,0|1,0,0]=2 1586 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,0,1,0,0|1,0,0]=2 1587 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,0,1,0,0|1,0,0]=2 1588 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,0,1,0,0|1,0,0]=2 1589 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,0,1,0,0|1,0,0]=2 1590 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,0,1,0,0|1,0,0]=2 1591 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,0,1,0,0|1,1,0]=3 1592 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,0,1,0,0|1,1,0]=3 1593 B7R1.4 NC1COCC1O MCULE-3115911209 [0,0,0,1,0,0|1,1,1]=4 1594 B7R1.4 NC1COCC1O MCULE-9837103399 [0,0,0,1,0,0|1,1,1]=4 1595 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,0,0,1,0,0|1,1,0]=3 1596 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,0,0,1,0,0|1,1,0]=3 1597 B7R1.4 NC1CSCC1O MCULE-4474934833 [0,0,0,1,0,0|1,1,1]=4 1598 B7R1.4 NC1CSCC1O MCULE-5059305463 [0,0,0,1,0,0|1,1,1]=4 1599 B7R1.4 NC1CSCC1O MCULE-8633680588 [0,0,0,1,0,0|1,1,1]=4 1600 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,1,0,0|3,0,0]=4 1601 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,1,0,0|3,0,0]=4 1602 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,1,0,0|3,0,0]=4 1603 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,0,1,0,0|2,0,0]=3 1604 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,0,1,0,0|2,0,0]=3 1605 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [0,0,0,1,0,0|2,0,1]=4 1606 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [0,0,0,1,0,0|2,0,1]=4 1607 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [0,0,0,1,0,0|2,0,1]=4 1608 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [0,0,0,1,0,0|2,0,1]=4 1609 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [0,0,0,1,0,0|2,0,1]=4 1610 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [0,0,0,1,0,0|2,0,1]=4 1611 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [0,0,0,1,0,0|2,0,1]=4 1612 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [0,0,0,1,0,0|2,0,1]=4 1613 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [0,0,0,1,0,0|2,0,1]=4 1614 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [0,0,0,1,0,0|2,0,1]=4 1615 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [0,0,0,1,0,0|2,0,1]=4 1616 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,0,1,0,0|2,0,0]=3 1617 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,0,1,0,0|2,0,0]=3 1618 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,0,1,0,0|2,0,0]=3 1619 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,0,1,0,0|2,0,0]=3 1620 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,0,1,0,0|1,0,0]=2 1621 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,0,1,0,0|1,0,0]=2 1622 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,0,1,0,0|1,0,0]=2 1623 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,0,1,0,0|1,0,0]=2 1624 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,0,1,0,0|1,1,0]=3 1625 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,0,1,0,0|1,1,0]=3 1626 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,0,1,0,0|1,1,0]=3 1627 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,0,1,0,0|1,1,0]=3 1628 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [0,0,0,1,0,0|1,1,1]=4 1629 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [0,0,0,1,0,0|1,1,1]=4 1630 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [0,0,0,1,0,0|1,1,1]=4 1631 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [0,0,0,1,0,0|1,1,1]=4 1632 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [0,0,0,1,0,0|1,1,1]=4 1633 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [0,0,0,1,0,0|1,1,1]=4 1634 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [0,0,0,1,0,0|1,1,1]=4 1635 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [0,0,0,1,0,0|1,1,1]=4 1636 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,0,0,1,0,0|1,1,0]=3 1637 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,0,0,1,0,0|1,1,0]=3 1638 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [0,0,0,1,0,0|1,1,1]=4 1639 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [0,0,0,1,0,0|1,1,1]=4 1640 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [0,0,0,1,0,0|1,1,1]=4 1641 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [0,0,0,1,0,0|1,1,1]=4 1642 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [0,0,0,1,0,0|2,0,1]=4 1643 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [0,0,0,1,0,0|2,0,1]=4 1644 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [0,0,0,1,0,0|2,0,1]=4 1645 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [0,0,0,1,0,0|2,0,1]=4 1646 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [0,0,0,1,0,0|2,0,1]=4 1647 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [0,0,0,1,0,0|2,0,1]=4 1648 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [0,0,0,1,0,0|2,0,1]=4 1649 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [0,0,0,1,0,0|2,0,1]=4 1650 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [0,0,0,1,0,0|2,0,1]=4 1651 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,0,1,0,0|2,0,0]=3 1652 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,0,1,0,0|2,0,0]=3 1653 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,0,1,0,0|2,0,0]=3 1654 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,0,1,0,0|2,0,0]=3 1655 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,0,1,0,0|1,0,0]=2 1656 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,0,1,0,0|1,0,0]=2 1657 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,0,1,0,0|1,0,0]=2 1658 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,0,1,0,0|1,0,0]=2 1659 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,0,1,0,0|1,0,0]=2 1660 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,0,1,0,0|1,1,0]=3 1661 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,0,1,0,0|1,1,0]=3 1662 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,0,1,0,0|1,1,0]=3 1663 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,0,1,0,0|1,1,0]=3 1664 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [0,0,0,1,0,0|1,1,1]=4 1665 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [0,0,0,1,0,0|1,1,1]=4 1666 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [0,0,0,1,0,0|1,1,1]=4 1667 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [0,0,0,1,0,0|1,1,1]=4 1668 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [0,0,0,1,0,0|1,1,1]=4 1669 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [0,0,0,1,0,0|1,1,1]=4 1670 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [0,0,0,1,0,0|1,1,1]=4 1671 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [0,0,0,1,0,0|1,1,1]=4 1672 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,0,0,1,0,0|1,1,0]=3 1673 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,0,0,1,0,0|1,1,0]=3 1674 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,0,1,0,0|3,0,0]=4 1675 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,0,1,0,0|3,0,0]=4 1676 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,0,1,0,0|3,0,0]=4 1677 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,0,1,0,0|3,0,0]=4 1678 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,0,0,1,0,0|3,0,0]=4 1679 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,0,0,1,0,0|3,0,0]=4 1680 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,0,0,1,0,0|3,0,0]=4 1681 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,0,0,1,0,0|3,0,0]=4 1682 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,0,0,1,0,0|3,0,0]=4 1683 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,0,0,1,0,0|3,0,0]=4 1684 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,0,0,1,0,0|3,0,0]=4 1685 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,0,0,1,0,0|3,0,0]=4 1686 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,0,0,1,0,0|3,0,0]=4 1687 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,0,1,0,0|2,0,0]=3 1688 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,0,1,0,0|2,0,0]=3 1689 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,0,1,0,0|2,0,0]=3 1690 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,0,1,0,0|2,0,0]=3 1691 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,0,1,0,0|2,0,0]=3 1692 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,0,1,0,0|2,0,0]=3 1693 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,0,1,0,0|2,0,0]=3 1694 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,0,1,0,0|1,0,1]=3 1695 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,0,0,1,0,0|3,0,0]=4 1696 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,0,0,1,0,0|2,1,0]=4 1697 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,0,0,1,0,0|2,1,0]=4 1698 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|2,0,1]=4 1699 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,0|3,0,0]=4 1700 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,0|3,0,0]=4 1701 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|2,0,1]=4 1702 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,0|3,0,0]=4 1703 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|3,0,0]=4 1704 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|2,0,0]=3 1705 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|3,0,0]=4 1706 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|2,0,0]=3 1707 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|2,0,0]=3 1708 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|2,0,0]=3 1709 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|2,0,0]=3 1710 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|2,0,0]=3 1711 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|2,0,0]=3 1712 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|2,0,0]=3 1713 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|2,0,0]=3 1714 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|2,0,0]=3 1715 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|3,0,0]=4 1716 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|3,0,0]=4 1717 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|2,0,0]=3 1718 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|2,0,0]=3 1719 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|2,0,0]=3 1720 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|2,0,0]=3 1721 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|2,0,0]=3 1722 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|2,0,0]=3 1723 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|2,0,0]=3 1724 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|2,0,0]=3 1725 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|2,0,0]=3 1726 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|2,0,0]=3 1727 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|2,0,0]=3 1728 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|2,0,0]=3 1729 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|2,0,0]=3 1730 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|2,0,0]=3 1731 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|2,0,0]=3 1732 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|2,0,0]=3 1733 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|2,0,0]=3 1734 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|2,0,0]=3 1735 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|2,0,0]=3 1736 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|2,0,0]=3 1737 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|2,0,0]=3 1738 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|2,0,0]=3 1739 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|2,0,0]=3 1740 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,0,0,1,0,0|3,0,0]=4 1741 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,0,0,1,0,0|2,0,0]=3 1742 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,0,0,1,0,0|2,0,0]=3 1743 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,0,0,1,0,0|2,0,0]=3 1744 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,0,0,1,0,0|2,0,0]=3 1745 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,1,0,0|1,0,0]=2 1746 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,0,1,0,0|3,0,0]=4 1747 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,0,0,1,0,0|3,0,0]=4 1748 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,0,0,1,0,0|3,0,0]=4 1749 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,0,0,1,0,0|3,0,0]=4 1750 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,0,0,1,0,0|2,1,0]=4 1751 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,0,1,0,0|3,0,0]=4 1752 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,1,0,0|2,0,0]=3 1753 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,1,0,0|2,0,0]=3 1754 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,0,1,0,0|3,0,0]=4 1755 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,0,1,0,0|3,0,0]=4 1756 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,0,1,0,0|3,0,0]=4 1757 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,0,0,1,0,0|2,1,0]=4 1758 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,1,0,0|2,0,0]=3 1759 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,0,1,0,0|3,0,0]=4 1760 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,0,1,0,0|2,0,1]=4 1761 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,0,1,0,0|2,0,0]=3 1762 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,1,0,0|1,0,0]=2 1763 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,1,0,0|1,0,0]=2 1764 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,1,0,0|1,0,0]=2 1765 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,0,1,0,0|2,0,0]=3 1766 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,0,1,0,0|2,0,0]=3 1767 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,0,0,1,0,0|2,0,0]=3 1768 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,0,0,1,0,0|2,0,0]=3 1769 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,0,1,0,0|1,1,0]=3 1770 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,0,0,1,0,0|1,1,0]=3 1771 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,1,0,0|1,0,0]=2 1772 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,1,0,0|1,0,0]=2 1773 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,1,0,0|1,0,0]=2 1774 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,1,0,0|1,0,0]=2 1775 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,0,1,0,0|2,0,0]=3 1776 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,0,1,0,0|2,0,0]=3 1777 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,1,0,0|1,0,0]=2 1778 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,1,0,0|1,0,0]=2 1779 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,1,0,0|1,0,0]=2 1780 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,1,0,0|1,0,0]=2 1781 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,0,1,0,0|2,0,0]=3 1782 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,0,1,0,0|2,0,0]=3 1783 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,0,0,1,0,0|3,0,0]=4 1784 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,0,0,1,0,0|3,0,0]=4 1785 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,0,0,1,0,0|3,0,0]=4 1786 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,0,0,1,0,0|3,0,0]=4 1787 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,0,1,0,0|2,0,0]=3 1788 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,0,1,0,0|2,0,0]=3 1789 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,0,0,1,0,0|2,1,0]=4 1790 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [0,0,0,1,0,0|2,0,1]=4 1791 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,0,0,1,0,0|3,0,0]=4 1792 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,0,0,1,0,0|3,0,0]=4 1793 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,0,1,0,0|2,0,0]=3 1794 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,0,1,0,0|1,1,0]=3 1795 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,0,0,1,0,0|2,1,0]=4 1796 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,0,0,1,0,0|3,0,0]=4 1797 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,0,1,0,0|2,0,0]=3 1798 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,0,1,0,0|2,0,0]=3 1799 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,0,0,1,0,0|3,0,0]=4 1800 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,0,1,0,0|2,0,0]=3 1801 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,0,1,0,0|2,0,0]=3 1802 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,0,1,0,0|1,0,0]=2 1803 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,0,1,0,0|1,0,0]=2 1804 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,0,1,0,0|2,0,0]=3 1805 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,0,1,0,0|2,0,0]=3 1806 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,0,1,0,0|2,0,0]=3 1807 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,0,1,0,0|2,0,0]=3 1808 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,0,1,0,0|2,0,0]=3 1809 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,0,0,0,0,1|2,0,1]=4 1810 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,0,0,0,1|2,0,0]=3 1811 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,0,0,0,0,1|2,1,0]=4 1812 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,0,0,0,0,1|2,0,1]=4 1813 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,0,0,0,1|1,0,1]=3 1814 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,0,0,0,1|1,0,1]=3 1815 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,0,0,0,0,1|2,0,1]=4 1816 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,0,0,0,0,1|3,0,0]=4 1817 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,0,0,0,0,1|3,0,0]=4 1818 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,0,0,0,0,1|2,1,0]=4 1819 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,0,0,0,0,1|2,1,0]=4 1820 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,0,0,0,0,1|2,1,0]=4 1821 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,0,0,0,0,1|3,0,0]=4 1822 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,0,0,0,0,1|3,0,0]=4 1823 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,0,0,0,0,1|3,0,0]=4 1824 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,0,0,0,0,1|3,0,0]=4 1825 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,0,0,0,0,1|3,0,0]=4 1826 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,0,0,0,1|2,0,0]=3 1827 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,0,0,0,1|2,0,0]=3 1828 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,0,0,0,0,1|2,0,1]=4 1829 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,0,0,0,1|2,0,1]=4 1830 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,0,0,0,0,1|3,0,0]=4 1831 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,0,0,0,0,1|3,0,0]=4 1832 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,0,1|2,0,0]=3 1833 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,0,1|2,0,0]=3 1834 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,0,0,0,0,1|3,0,0]=4 1835 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,0,0,0,0,1|3,0,0]=4 1836 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,0,0,0,0,1|3,0,0]=4 1837 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,0,0,0,0,1|3,0,0]=4 1838 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,0,1|1,0,0]=2 1839 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,0,1|1,0,0]=2 1840 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,0,0,0,0,1|2,0,1]=4 1841 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,0,0,0,0,1|3,0,0]=4 1842 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,0,1|2,0,0]=3 1843 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,0,0,0,0,1|3,0,0]=4 1844 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,0,0,0,1|3,0,0]=4 1845 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,0,1|2,0,0]=3 1846 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,0,1|2,0,0]=3 1847 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,0,1|1,0,0]=2 1848 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,0,1|1,0,0]=2 1849 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,0,1|1,0,0]=2 1850 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,0,1|1,0,0]=2 1851 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,0,1|2,0,0]=3 1852 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,0,1|2,0,0]=3 1853 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,0,1|1,0,0]=2 1854 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,0,1|1,0,0]=2 1855 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,0,1|1,0,0]=2 1856 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,0,1|1,0,0]=2 1857 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,0,0,0,0,1|3,0,0]=4 1858 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,0,0,0,0,1|3,0,0]=4 1859 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,0,0,0,0,1|3,0,0]=4 1860 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,0,0,0,0,1|3,0,0]=4 1861 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,0,0,0,1|2,0,0]=3 1862 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,0,0,0,1|2,0,0]=3 1863 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,0,0,0,0,1|2,0,1]=4 1864 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,0,0,0,0,1|1,1,1]=4 1865 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,0,1|0,1,0]=2 1866 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,0,1|0,1,0]=2 1867 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,0,1|0,1,0]=2 1868 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,0,1|1,0,0]=2 1869 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,0,1|1,0,0]=2 1870 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,0,0,0,1|2,0,0]=3 1871 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,0,0,0,0,1|3,0,0]=4 1872 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,0,0,0,0,1|3,0,0]=4 1873 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,0,1|1,0,0]=2 1874 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,0,1|1,0,0]=2 1875 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,0,0,0,1|2,0,0]=3 1876 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,0,0,0,1|2,0,0]=3 1877 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,0,1|1,0,0]=2 1878 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,0,1|1,0,0]=2 1879 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,0,0,0,1|2,0,0]=3 1880 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,0,0,0,1|2,0,0]=3 1881 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,0,1|0,1,0]=2 1882 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,0,1|0,1,0]=2 1883 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,0,1|0,1,0]=2 1884 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,0,1|0,1,0]=2 1885 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,0,0,0,0,1|2,0,1]=4 1886 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,0,0,0,0,1|1,1,1]=4 1887 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,0,0,0,1|1,1,0]=3 1888 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,0,0,0,1|1,1,0]=3 1889 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,0,0,0,0,1|1,1,1]=4 1890 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,0,0,0,0,1|1,1,1]=4 1891 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,0,0,0,0,1|3,0,0]=4 1892 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,0,0,0,0,1|0,1,2]=4 1893 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 1894 B4R0.1 C#CC(C)N MCULE-5174459541 [2,0,0,0,0,0|1,0,1]=4 1895 B4R0.1 C#CC(C)N MCULE-7552261137 [2,0,0,0,0,0|1,0,1]=4 1896 B4R0.1 C#CC(C)N MCULE-8458008104 [2,0,0,0,0,0|1,0,1]=4 1897 B4R0.1 C#CC(C)N MCULE-8872781976 [2,0,0,0,0,0|1,0,1]=4 1898 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [2,0,0,0,0,0|1,0,1]=4 1899 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [2,0,0,0,0,0|1,0,1]=4 1900 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [2,0,0,0,0,0|1,0,1]=4 1901 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [2,0,0,0,0,0|1,0,1]=4 1902 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [2,0,0,0,0,0|1,0,1]=4 1903 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [2,0,0,0,0,0|1,0,1]=4 1904 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [2,0,0,0,0,0|1,0,1]=4 1905 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [2,0,0,0,0,0|1,0,1]=4 1906 B4R0.1 C(C)(N)CN MCULE-5877041140 [2,0,0,0,0,0|1,0,1]=4 1907 B4R0.1 C(C)(N)CO MCULE-5844242932 [2,0,0,0,0,0|0,0,1]=3 1908 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [2,0,0,0,0,0|1,0,1]=4 1909 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [2,0,0,0,0,0|1,0,1]=4 1910 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|2,0,0]=4 1911 B4R0.1 C=C(Br)CN MCULE-1170417597 [2,0,0,0,0,0|2,0,0]=4 1912 B4R0.1 C=C(Br)CN MCULE-9190049156 [2,0,0,0,0,0|2,0,0]=4 1913 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|1,0,1]=4 1914 B4R0.1 C=C(C)CN MCULE-1033495975 [2,0,0,0,0,0|2,0,0]=4 1915 B4R0.1 C=C(C)CN MCULE-8730181300 [2,0,0,0,0,0|2,0,0]=4 1916 B4R0.1 C=C(Cl)CN MCULE-2159410121 [2,0,0,0,0,0|2,0,0]=4 1917 B4R0.1 C=C(Cl)CN MCULE-3454023553 [2,0,0,0,0,0|2,0,0]=4 1918 B4R0.1 C=C(F)CN MCULE-1603171858 [2,0,0,0,0,0|2,0,0]=4 1919 B4R0.1 C=C(F)CN MCULE-3878727292 [2,0,0,0,0,0|2,0,0]=4 1920 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,2]=4 1921 B4R0.1 C=CC(C)Cl MCULE-1756172983 [2,0,0,0,0,0|2,0,0]=4 1922 B4R0.1 C=CC(C)N MCULE-5748048106 [2,0,0,0,0,0|1,0,0]=3 1923 B4R0.1 C=CC(C)N MCULE-6786590923 [2,0,0,0,0,0|1,0,0]=3 1924 B4R0.1 C=CC(C)O MCULE-4525368256 [2,0,0,0,0,0|2,0,0]=4 1925 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [2,0,0,0,0,0|1,0,0]=3 1926 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [2,0,0,0,0,0|1,0,0]=3 1927 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [2,0,0,0,0,0|1,0,0]=3 1928 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [2,0,0,0,0,0|1,0,0]=3 1929 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [2,0,0,0,0,0|1,0,0]=3 1930 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [2,0,0,0,0,0|1,0,0]=3 1931 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [2,0,0,0,0,0|1,0,0]=3 1932 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [2,0,0,0,0,0|1,0,0]=3 1933 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [2,0,0,0,0,0|2,0,0]=4 1934 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|1,0,1]=4 1935 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 1936 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 1937 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 1938 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|1,0,0]=3 1939 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|1,0,0]=3 1940 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,1,0]=4 1941 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|1,1,0]=4 1942 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|2,0,0]=4 1943 B4R0.1 CC(Br)C=O MCULE-6060704330 [2,0,0,0,0,0|1,0,0]=3 1944 B4R0.1 CC(Br)CO MCULE-8344365003 [2,0,0,0,0,0|1,0,1]=4 1945 B4R0.1 CC(C)C=O MCULE-3575731904 [2,0,0,0,0,0|1,0,0]=3 1946 B4R0.1 CC(C)CO MCULE-6294327194 [2,0,0,0,0,0|1,0,1]=4 1947 B4R0.1 CC(C)NO MCULE-6516566403 [2,0,0,0,0,0|2,0,0]=4 1948 B4R0.1 CC(C)NO MCULE-8545146035 [2,0,0,0,0,0|2,0,0]=4 1949 B4R0.1 CC(Cl)CO MCULE-3857255988 [2,0,0,0,0,0|1,0,1]=4 1950 B4R0.1 CC(Cl)CO MCULE-7538548427 [2,0,0,0,0,0|1,0,1]=4 1951 B4R0.1 CC(F)CO MCULE-6006763378 [2,0,0,0,0,0|1,0,1]=4 1952 B4R0.1 CC(N)C#N MCULE-4008524363 [2,0,0,0,0,0|1,0,1]=4 1953 B4R0.1 CC(N)C#N MCULE-8654767875 [2,0,0,0,0,0|1,0,1]=4 1954 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|0,0,0]=2 1955 B4R0.1 CC(N)CBr MCULE-1783493149 [2,0,0,0,0,0|1,0,1]=4 1956 B4R0.1 CC(N)CBr MCULE-2775398297 [2,0,0,0,0,0|1,0,1]=4 1957 B4R0.1 CC(N)CCl MCULE-8652434595 [2,0,0,0,0,0|1,0,1]=4 1958 B4R0.1 CC(N)CCl MCULE-9580466630 [2,0,0,0,0,0|1,0,1]=4 1959 B4R0.1 CC(N)CF MCULE-1603143200 [2,0,0,0,0,0|1,0,1]=4 1960 B4R0.1 CC(N)CF MCULE-3787216870 [2,0,0,0,0,0|1,0,1]=4 1961 B4R0.1 CC(N)CF MCULE-4138869746 [2,0,0,0,0,0|1,0,1]=4 1962 B4R0.1 CC(N)CF MCULE-8611760275 [2,0,0,0,0,0|1,0,1]=4 1963 B4R0.1 CC(N)CN MCULE-2119036110 [2,0,0,0,0,0|1,0,1]=4 1964 B4R0.1 CC(N)CN MCULE-6286216576 [2,0,0,0,0,0|1,0,1]=4 1965 B4R0.1 CC(N)CN MCULE-9919433465 [2,0,0,0,0,0|1,0,1]=4 1966 B4R0.1 CC(N)CO MCULE-1361379423 [2,0,0,0,0,0|0,0,1]=3 1967 B4R0.1 CC(N)CO MCULE-2098440985 [2,0,0,0,0,0|0,0,1]=3 1968 B4R0.1 CC(N)CS MCULE-1396853557 [2,0,0,0,0,0|0,1,1]=4 1969 B4R0.1 CC(N)CS MCULE-4094732666 [2,0,0,0,0,0|0,1,1]=4 1970 B4R0.1 CC(O)CBr MCULE-7835094737 [2,0,0,0,0,0|2,0,0]=4 1971 B4R0.1 CC(O)CCl MCULE-9140807958 [2,0,0,0,0,0|2,0,0]=4 1972 B4R0.1 CC(O)CF MCULE-1023052065 [2,0,0,0,0,0|2,0,0]=4 1973 B4R0.1 CC(O)CN MCULE-4370440652 [2,0,0,0,0,0|1,0,1]=4 1974 B4R0.1 CC(O)CN MCULE-5694317743 [2,0,0,0,0,0|1,0,1]=4 1975 B4R0.1 CC(O)CN MCULE-6406041538 [2,0,0,0,0,0|1,0,1]=4 1976 B4R0.1 CC(O)CN MCULE-6636652305 [2,0,0,0,0,0|1,0,1]=4 1977 B4R0.1 CC(O)CO MCULE-5574440784 [2,0,0,0,0,0|1,0,1]=4 1978 B4R0.1 CC(O)CO MCULE-8743139013 [2,0,0,0,0,0|1,0,1]=4 1979 B4R0.1 CC(O)CS MCULE-7881083356 [2,0,0,0,0,0|1,1,0]=4 1980 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [2,0,0,0,0,0|2,0,0]=4 1981 B4R0.1 CC(S)CO MCULE-5090908062 [2,0,0,0,0,0|1,0,1]=4 1982 B4R0.1 CCB(O)O MCULE-1650960999 [2,0,0,0,0,0|1,0,1]=4 1983 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|2,0,0]=4 1984 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|2,0,0]=4 1985 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 1986 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,0]=3 1987 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 1988 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 1989 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,0]=3 1990 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,0]=2 1991 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,0]=2 1992 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,0]=3 1993 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,1]=3 1994 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|1,1,0]=4 1995 B4R0.1 CCC(C)N MCULE-5041676035 [2,0,0,0,0,0|1,0,1]=4 1996 B4R0.1 CCC(C)N MCULE-5835091553 [2,0,0,0,0,0|1,0,1]=4 1997 B4R0.1 CCC(C)N MCULE-6631606230 [2,0,0,0,0,0|1,0,1]=4 1998 B4R0.1 CCC(C)N MCULE-8165681721 [2,0,0,0,0,0|1,0,1]=4 1999 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|1,0,1]=4 2000 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|1,0,1]=4 2001 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|1,0,1]=4 2002 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 2003 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,0]=3 2004 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,1]=4 2005 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [2,0,0,0,0,0|1,0,1]=4 2006 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [2,0,0,0,0,0|1,0,1]=4 2007 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [2,0,0,0,0,0|1,0,1]=4 2008 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [2,0,0,0,0,0|1,0,1]=4 2009 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|1,0,1]=4 2010 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|1,0,1]=4 2011 B4R0.1 CC[C@H](C)N MCULE-2450201533 [2,0,0,0,0,0|1,0,1]=4 2012 B4R0.1 CC[C@H](C)N MCULE-2998961427 [2,0,0,0,0,0|1,0,1]=4 2013 B4R0.1 CC[C@H](C)N MCULE-6692190471 [2,0,0,0,0,0|1,0,1]=4 2014 B4R0.1 CC[C@H](C)N MCULE-6904795465 [2,0,0,0,0,0|1,0,1]=4 2015 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|1,0,1]=4 2016 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|1,0,1]=4 2017 B4R0.1 CN(C)C=O MCULE-6290117712 [2,0,0,0,0,0|2,0,0]=4 2018 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|1,0,0]=3 2019 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|2,0,0]=4 2020 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 2021 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|2,0,0]=4 2022 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 2023 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 2024 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 2025 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|2,0,0]=4 2026 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [2,0,0,0,0,0|1,0,1]=4 2027 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [2,0,0,0,0,0|1,0,1]=4 2028 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [2,0,0,0,0,0|1,0,1]=4 2029 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [2,0,0,0,0,0|1,0,1]=4 2030 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [2,0,0,0,0,0|1,0,1]=4 2031 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [2,0,0,0,0,0|1,0,1]=4 2032 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [2,0,0,0,0,0|1,0,1]=4 2033 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [2,0,0,0,0,0|1,0,1]=4 2034 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [2,0,0,0,0,0|1,0,1]=4 2035 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [2,0,0,0,0,0|1,0,1]=4 2036 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [2,0,0,0,0,0|1,0,1]=4 2037 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [2,0,0,0,0,0|1,0,1]=4 2038 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [2,0,0,0,0,0|1,0,1]=4 2039 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [2,0,0,0,0,0|1,0,1]=4 2040 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [2,0,0,0,0,0|1,0,1]=4 2041 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [2,0,0,0,0,0|1,0,1]=4 2042 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [2,0,0,0,0,0|0,0,1]=3 2043 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [2,0,0,0,0,0|0,0,1]=3 2044 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|1,0,0]=3 2045 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [2,0,0,0,0,0|2,0,0]=4 2046 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [2,0,0,0,0,0|2,0,0]=4 2047 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [2,0,0,0,0,0|1,0,1]=4 2048 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [2,0,0,0,0,0|1,0,1]=4 2049 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [2,0,0,0,0,0|1,0,1]=4 2050 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [2,0,0,0,0,0|1,1,0]=4 2051 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [2,0,0,0,0,0|1,0,1]=4 2052 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [2,0,0,0,0,0|1,0,1]=4 2053 B4R0.1 C[C@H](F)CO MCULE-1024261541 [2,0,0,0,0,0|1,0,1]=4 2054 B4R0.1 C[C@H](F)CO MCULE-7028098137 [2,0,0,0,0,0|1,0,1]=4 2055 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [2,0,0,0,0,0|1,0,1]=4 2056 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [2,0,0,0,0,0|1,0,1]=4 2057 B4R0.1 C[C@H](N)CF MCULE-1053227516 [2,0,0,0,0,0|1,0,1]=4 2058 B4R0.1 C[C@H](N)CF MCULE-4024916343 [2,0,0,0,0,0|1,0,1]=4 2059 B4R0.1 C[C@H](N)CF MCULE-6312285034 [2,0,0,0,0,0|1,0,1]=4 2060 B4R0.1 C[C@H](N)CF MCULE-7630744199 [2,0,0,0,0,0|1,0,1]=4 2061 B4R0.1 C[C@H](N)CN MCULE-2048837128 [2,0,0,0,0,0|1,0,1]=4 2062 B4R0.1 C[C@H](N)CN MCULE-4105152552 [2,0,0,0,0,0|1,0,1]=4 2063 B4R0.1 C[C@H](N)CN MCULE-7106390536 [2,0,0,0,0,0|1,0,1]=4 2064 B4R0.1 C[C@H](N)CN MCULE-9863306005 [2,0,0,0,0,0|1,0,1]=4 2065 B4R0.1 C[C@H](N)CO MCULE-2471107013 [2,0,0,0,0,0|0,0,1]=3 2066 B4R0.1 C[C@H](N)CO MCULE-5424195678 [2,0,0,0,0,0|0,0,1]=3 2067 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [2,0,0,0,0,0|2,0,0]=4 2068 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [2,0,0,0,0,0|2,0,0]=4 2069 B4R0.1 C[C@H](O)CN MCULE-3227371869 [2,0,0,0,0,0|1,0,1]=4 2070 B4R0.1 C[C@H](O)CN MCULE-5480489257 [2,0,0,0,0,0|1,0,1]=4 2071 B4R0.1 C[C@H](O)CO MCULE-6582852191 [2,0,0,0,0,0|1,0,1]=4 2072 B4R0.1 C[C@H](O)CO MCULE-8074793296 [2,0,0,0,0,0|1,0,1]=4 2073 B4R0.1 C[C@H](O)CS MCULE-9061842733 [2,0,0,0,0,0|1,1,0]=4 2074 B4R0.1 N=C(N)CN MCULE-2761790792 [2,0,0,0,0,0|2,0,0]=4 2075 B4R0.1 N=C(N)CN MCULE-5131841850 [2,0,0,0,0,0|2,0,0]=4 2076 B4R0.1 N=C(N)CN MCULE-6618111844 [2,0,0,0,0,0|2,0,0]=4 2077 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|1,0,1]=4 2078 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|1,0,1]=4 2079 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|1,0,1]=4 2080 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|1,0,1]=4 2081 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|0,1,1]=4 2082 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|0,1,1]=4 2083 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|1,0,0]=3 2084 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|1,0,0]=3 2085 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|1,0,0]=3 2086 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|0,0,0]=2 2087 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|0,0,0]=2 2088 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|0,0,0]=2 2089 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|0,0,0]=2 2090 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|0,0,0]=2 2091 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|0,1,0]=3 2092 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|0,0,1]=3 2093 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [2,0,0,0,0,0|1,0,1]=4 2094 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [2,0,0,0,0,0|1,0,1]=4 2095 B4R0.1 NNC(=O)N MCULE-3392559370 [2,0,0,0,0,0|2,0,0]=4 2096 B4R0.1 NNC(=O)N MCULE-8490374775 [2,0,0,0,0,0|2,0,0]=4 2097 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 2098 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 2099 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 2100 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 2101 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 2102 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 2103 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 2104 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 2105 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 2106 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|0,1,0]=3 2107 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|0,1,0]=3 2108 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 2109 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|0,1,1]=4 2110 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|0,1,1]=4 2111 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|0,1,1]=4 2112 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|0,1,1]=4 2113 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [2,0,0,0,0,0|2,0,0]=4 2114 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|1,1,0]=4 2115 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|1,0,0]=3 2116 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [2,0,0,0,0,0|1,0,1]=4 2117 B4R0.2 C=CCCBr MCULE-2890129103 [2,0,0,0,0,0|2,0,0]=4 2118 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|2,0,0]=4 2119 B4R0.2 C=CCCCl MCULE-5903789900 [2,0,0,0,0,0|2,0,0]=4 2120 B4R0.2 C=CCCI MCULE-1055671394 [2,0,0,0,0,0|2,0,0]=4 2121 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|2,0,0]=4 2122 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|2,0,0]=4 2123 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|1,1,0]=4 2124 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|1,0,0]=3 2125 B4R0.2 CCCCO MCULE-1571156443 [2,0,0,0,0,0|1,0,1]=4 2126 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|2,0,0]=4 2127 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|2,0,0]=4 2128 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|2,0,0]=4 2129 B4R0.2 NCCCO MCULE-2851278356 [2,0,0,0,0,0|1,0,1]=4 2130 B4R0.2 NCCCO MCULE-9698089092 [2,0,0,0,0,0|1,0,1]=4 2131 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,0]=3 2132 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,0]=3 2133 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,0]=3 2134 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|0,1,0]=3 2135 B4R0.2 OC=CCCl MCULE-4750991393 [2,0,0,0,0,0|1,0,1]=4 2136 B4R0.2 OCCCBr MCULE-3450011527 [2,0,0,0,0,0|1,0,1]=4 2137 B4R0.2 OCCCCl MCULE-2319230957 [2,0,0,0,0,0|1,0,1]=4 2138 B4R0.2 OCCCF MCULE-2347934403 [2,0,0,0,0,0|1,0,1]=4 2139 B4R0.2 OCCCI MCULE-5200713967 [2,0,0,0,0,0|1,0,1]=4 2140 B4R0.2 OCCCO MCULE-5166824786 [2,0,0,0,0,0|0,1,1]=4 2141 B4R0.2 OCCCS MCULE-7930164048 [2,0,0,0,0,0|0,1,1]=4 2142 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,1,0,0,0,0|2,0,0]=4 2143 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|1,0,1]=4 2144 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,1,0,0,0,0|2,0,0]=4 2145 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|1,0,1]=4 2146 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,1,0,0,0,0|2,0,0]=4 2147 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,1,0,0,0,0|2,0,0]=4 2148 B6R0.1 CCCC(=NO)C MCULE-6437787263 [1,1,0,0,0,0|2,0,0]=4 2149 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,1,0,0,0,0|2,0,0]=4 2150 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,1,0,0,0,0|2,0,0]=4 2151 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,1,0,0,0,0|2,0,0]=4 2152 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|2,0,0]=4 2153 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|2,0,0]=4 2154 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|1,0,0]=3 2155 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|2,0,0]=4 2156 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|2,0,0]=4 2157 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|1,0,0]=3 2158 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|1,0,0]=3 2159 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,1,0,0,0,0|1,1,0]=4 2160 B6R0.1 CCCC(=S)OC MCULE-8125476093 [1,1,0,0,0,0|1,1,0]=4 2161 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|2,0,0]=4 2162 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|2,0,0]=4 2163 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|2,0,0]=4 2164 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|2,0,0]=4 2165 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|2,0,0]=4 2166 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|2,0,0]=4 2167 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,1,0,0,0,0|2,0,0]=4 2168 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,1,0,0,0,0|2,0,0]=4 2169 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|2,0,0]=4 2170 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|2,0,0]=4 2171 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|1,1,0]=4 2172 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,1,0,0,0,0|1,1,0]=4 2173 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|2,0,0]=4 2174 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|2,0,0]=4 2175 B6R0.1 COC(=N)CCCl MCULE-1997539408 [1,1,0,0,0,0|2,0,0]=4 2176 B6R0.1 COC(=N)CCCl MCULE-2235564076 [1,1,0,0,0,0|2,0,0]=4 2177 B6R0.1 COC(=N)CCO MCULE-1904978557 [1,1,0,0,0,0|1,1,0]=4 2178 B6R0.1 COC(=N)CCO MCULE-8146089973 [1,1,0,0,0,0|1,1,0]=4 2179 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|1,0,1]=4 2180 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|0,1,1]=4 2181 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|1,0,0]=3 2182 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|1,0,0]=3 2183 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|1,0,0]=3 2184 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,0]=3 2185 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,0]=3 2186 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|0,1,0]=3 2187 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|0,1,0]=3 2188 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|2,0,0]=4 2189 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|2,0,0]=4 2190 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|2,0,0]=4 2191 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|2,0,0]=4 2192 B6R0.1 COC(=O)OCCl MCULE-7856529986 [1,1,0,0,0,0|2,0,0]=4 2193 B6R0.1 COC(=O)OCF MCULE-4705008675 [1,1,0,0,0,0|2,0,0]=4 2194 B6R0.1 COC(=O)OCI MCULE-8692720175 [1,1,0,0,0,0|2,0,0]=4 2195 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|2,0,0]=4 2196 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,1,0,0,0,0|1,1,0]=4 2197 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [1,1,0,0,0,0|2,0,0]=4 2198 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,1,0,0,0,0|2,0,0]=4 2199 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|2,0,0]=4 2200 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|2,0,0]=4 2201 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|1,1,0]=4 2202 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,1,0,0,0,0|1,1,0]=4 2203 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,0]=3 2204 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [1,1,0,0,0,0|2,0,0]=4 2205 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,1,0,0,0,0|1,0,1]=4 2206 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,1,0,0,0,0|1,0,1]=4 2207 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,1,0,0,0,0|0,1,1]=4 2208 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,1,0,0,0,0|2,0,0]=4 2209 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,1,0,0,0,0|2,0,0]=4 2210 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,1,0,0,0,0|2,0,0]=4 2211 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,1,0,0,0,0|1,1,0]=4 2212 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,1,0,0,0,0|2,0,0]=4 2213 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,1,0,0,0,0|2,0,0]=4 2214 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,1,0,0,0,0|1,0,0]=3 2215 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,1,0,0,0,0|2,0,0]=4 2216 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,1,0,0,0,0|2,0,0]=4 2217 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,1,0,0,0,0|1,0,0]=3 2218 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [1,1,0,0,0,0|2,0,0]=4 2219 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,1,0,0,0,0|1,0,0]=3 2220 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,1,0,0,0,0|1,0,0]=3 2221 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,1,0,0,0,0|2,0,0]=4 2222 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,1,0,0,0,0|2,0,0]=4 2223 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|1,0,0]=3 2224 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|1,0,0]=3 2225 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|1,0,0]=3 2226 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|1,0,0]=3 2227 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,1,0,0,0,0|1,1,0]=4 2228 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,1,0,0,0,0|0,1,0]=3 2229 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,1,0,0,0,0|0,1,0]=3 2230 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,1,0,0,0,0|0,1,1]=4 2231 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,1,0,0,0,0|0,1,1]=4 2232 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,1,0,0,0,0|2,0,0]=4 2233 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,1,0,0,0,0|2,0,0]=4 2234 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|1,0,0]=3 2235 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|1,0,0]=3 2236 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|1,0,0]=3 2237 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|1,0,0]=3 2238 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,1,0,0,0,0|0,1,0]=3 2239 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,1,0,0,0,0|0,1,0]=3 2240 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,1,0,0,0,0|0,1,1]=4 2241 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,1,0,0,0,0|0,1,1]=4 2242 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,1,0,0,0,0|1,0,0]=3 2243 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,1,0,0,0,0|1,0,0]=3 2244 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|1,0,0]=3 2245 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|1,0,0]=3 2246 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|1,0,0]=3 2247 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|1,0,0]=3 2248 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,1,0,0,0,0|0,1,0]=3 2249 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,1,0,0,0,0|0,1,0]=3 2250 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,1,0,0,0,0|0,1,1]=4 2251 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,1,0,0,0,0|0,1,1]=4 2252 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,1,0,0,0,0|0,1,1]=4 2253 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,1,0,0,0,0|1,0,0]=3 2254 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,1,0,0,0,0|1,0,0]=3 2255 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,1,0,0,0,0|1,1,0]=4 2256 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,1,0,0,0,0|0,1,1]=4 2257 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,1,0,0,0,0|1,0,0]=3 2258 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,1,0,0,0,0|1,1,0]=4 2259 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,1,0,0,0,0|2,0,0]=4 2260 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,1,0,0,0,0|2,0,0]=4 2261 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,1,0,0,0,0|2,0,0]=4 2262 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,1,0,0,0,0|1,0,0]=3 2263 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,1,0,0,0,0|1,0,1]=4 2264 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|1,0,1]=4 2265 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,1,0,0,0,0|1,0,1]=4 2266 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|2,0,0]=4 2267 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,1,0,0,0,0|2,0,0]=4 2268 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,1,0,0,0,0|2,0,0]=4 2269 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|1,0,0]=3 2270 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|1,0,1]=4 2271 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,1,0,0,0,0|1,0,1]=4 2272 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,1,0,0,0,0|2,0,0]=4 2273 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|1,1,0]=4 2274 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,1,0,0,0,0|2,0,0]=4 2275 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,1,0,0,0,0|2,0,0]=4 2276 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|1,1,0]=4 2277 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,1,0,0,0,0|2,0,0]=4 2278 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,1,0,0,0,0|2,0,0]=4 2279 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|1,1,0]=4 2280 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,1,0,0,0,0|1,1,0]=4 2281 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,1,0,0,0,0|2,0,0]=4 2282 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,1,0,0,0,0|2,0,0]=4 2283 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|2,0,0]=4 2284 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|2,0,0]=4 2285 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|1,1,0]=4 2286 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,1,0,0,0,0|2,0,0]=4 2287 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,1,0,0,0,0|2,0,0]=4 2288 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,1,0,0,0,0|2,0,0]=4 2289 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,1,0,0,0,0|2,0,0]=4 2290 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|1,0,1]=4 2291 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|1,0,1]=4 2292 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,1,0,0,0,0|1,0,1]=4 2293 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|1,0,1]=4 2294 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,1,0,0,0,0|2,0,0]=4 2295 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,1,0,0,0,0|2,0,0]=4 2296 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,1,0,0,0,0|2,0,0]=4 2297 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,1,0,0,0,0|2,0,0]=4 2298 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|1,0,0]=3 2299 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,1,0,0,0,0|1,0,1]=4 2300 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,1,0,0,0,0|2,0,0]=4 2301 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,1,0,0,0,0|2,0,0]=4 2302 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|2,0,0]=4 2303 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,1,0,0,0,0|2,0,0]=4 2304 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,1,0,0,0,0|2,0,0]=4 2305 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|2,0,0]=4 2306 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,1,0,0,0,0|2,0,0]=4 2307 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,1,0,0,0,0|2,0,0]=4 2308 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,1,0,0,0,0|2,0,0]=4 2309 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,1,0,0,0,0|2,0,0]=4 2310 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|2,0,0]=4 2311 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|2,0,0]=4 2312 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|1,0,0]=3 2313 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|1,0,0]=3 2314 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,1,0,0,0,0|2,0,0]=4 2315 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,1,0,0,0,0|2,0,0]=4 2316 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|1,0,0]=3 2317 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,1,0,0,0,0|2,0,0]=4 2318 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|1,0,0]=3 2319 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,1,0,0,0,0|2,0,0]=4 2320 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,1,0,0,0,0|2,0,0]=4 2321 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|1,0,0]=3 2322 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|1,0,0]=3 2323 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|1,1,0]=4 2324 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|1,1,0]=4 2325 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|1,1,0]=4 2326 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|0,1,0]=3 2327 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,1,0,0,0,0|1,1,0]=4 2328 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,1,0,0,0,0|1,1,0]=4 2329 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,1,0,0,0,0|1,1,0]=4 2330 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|0,1,0]=3 2331 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|1,1,0]=4 2332 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,1,0,0,0,0|1,0,0]=3 2333 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,1,0,0,0,0|1,0,1]=4 2334 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,1,0,0,0,0|2,0,0]=4 2335 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,1,0,0,0,0|2,0,0]=4 2336 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|1,1,0]=4 2337 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,1,0,0,0,0|2,0,0]=4 2338 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,1,0,0,0,0|2,0,0]=4 2339 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|1,1,0]=4 2340 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,1,0,0,0,0|2,0,0]=4 2341 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|1,1,0]=4 2342 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|1,0,1]=4 2343 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,1,0,0,0,0|1,0,1]=4 2344 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|1,0,1]=4 2345 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|1,0,1]=4 2346 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,1,0,0,0,0|2,0,0]=4 2347 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,1,0,0,0,0|2,0,0]=4 2348 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,1,0,0,0,0|2,0,0]=4 2349 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,1,0,0,0,0|2,0,0]=4 2350 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|1,0,0]=3 2351 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|1,0,0]=3 2352 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,1,0,0,0,0|2,0,0]=4 2353 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,1,0,0,0,0|2,0,0]=4 2354 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,1,0,0,0,0|2,0,0]=4 2355 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,1,0,0,0,0|2,0,0]=4 2356 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,1,0,0,0,0|2,0,0]=4 2357 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,1,0,0,0,0|0,1,0]=3 2358 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,1,0,0,0,0|0,1,0]=3 2359 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,1,0,0,0,0|2,0,0]=4 2360 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,1,0,0,0,0|2,0,0]=4 2361 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,1,0,0,0,0|2,0,0]=4 2362 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,1,0,0,0,0|2,0,0]=4 2363 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,1,0,0,0,0|2,0,0]=4 2364 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|1,0,1]=4 2365 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|1,0,1]=4 2366 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|0,1,1]=4 2367 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,1,0,0,0,0|1,0,1]=4 2368 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,1,0,0,0,0|1,0,1]=4 2369 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,1,0,0,0,0|0,1,1]=4 2370 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|1,0,1]=4 2371 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|1,0,1]=4 2372 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|0,1,1]=4 2373 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|1,0,0]=3 2374 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|1,0,0]=3 2375 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|1,0,0]=3 2376 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|1,0,0]=3 2377 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|0,1,0]=3 2378 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|0,1,0]=3 2379 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,1,0,0,0,0|1,0,1]=4 2380 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,1,0,0,0,0|0,1,1]=4 2381 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|0,1,0]=3 2382 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|0,1,1]=4 2383 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,1,0,0,0,0|2,0,0]=4 2384 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,1,0,0,0,0|2,0,0]=4 2385 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,1,0,0,0,0|2,0,0]=4 2386 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,1,0,0,0,0|2,0,0]=4 2387 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [1,1,0,0,0,0|2,0,0]=4 2388 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [1,1,0,0,0,0|2,0,0]=4 2389 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [1,1,0,0,0,0|2,0,0]=4 2390 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [1,1,0,0,0,0|1,1,0]=4 2391 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [1,1,0,0,0,0|2,0,0]=4 2392 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [1,1,0,0,0,0|2,0,0]=4 2393 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [1,1,0,0,0,0|1,1,0]=4 2394 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [1,1,0,0,0,0|1,1,0]=4 2395 B6R0.8 CC(C)(C=O)CCl MCULE-4459822361 [1,1,0,0,0,0|2,0,0]=4 2396 B6R0.8 CC(C)(C=O)CF MCULE-7136604991 [1,1,0,0,0,0|2,0,0]=4 2397 B6R0.8 CC(C)(C=O)CI MCULE-4319040609 [1,1,0,0,0,0|2,0,0]=4 2398 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [1,1,0,0,0,0|1,1,0]=4 2399 B6R0.8 CC(N)(CO)CO MCULE-6546409175 [1,1,0,0,0,0|0,1,1]=4 2400 B6R0.8 CCC(Br)(Br)C=O MCULE-5893364801 [1,1,0,0,0,0|2,0,0]=4 2401 B6R0.8 CCC(C)(C)C=O MCULE-4902007320 [1,1,0,0,0,0|2,0,0]=4 2402 B6R0.8 CCC(C)(N)CO MCULE-3364837123 [1,1,0,0,0,0|1,0,1]=4 2403 B6R0.8 CCC(C)(N)CO MCULE-6671299764 [1,1,0,0,0,0|1,0,1]=4 2404 B6R0.8 O=CC(Br)(Br)CBr MCULE-3050482544 [1,1,0,0,0,0|2,0,0]=4 2405 B6R0.9 CCC(C=O)CC MCULE-3529464122 [1,1,0,0,0,0|2,0,0]=4 2406 B6R0.9 CCC(CN)CO MCULE-5933181303 [1,1,0,0,0,0|1,0,1]=4 2407 B6R0.9 CCC(CO)NC MCULE-4151180539 [1,1,0,0,0,0|1,0,1]=4 2408 B6R0.9 CC[C@@H](CO)NC MCULE-6281808613 [1,1,0,0,0,0|1,0,1]=4 2409 B6R0.9 CNC(CN)CO MCULE-7006149115 [1,1,0,0,0,0|1,0,1]=4 2410 B6R0.9 CNC(CO)CO MCULE-9323859576 [1,1,0,0,0,0|0,1,1]=4 2411 B6R0.7 CC(=O)C(C)(C)Br MCULE-2211649171 [1,1,0,0,0,0|2,0,0]=4 2412 B6R0.7 CC(=O)C(C)(C)C MCULE-9731323161 [1,1,0,0,0,0|2,0,0]=4 2413 B6R0.7 CC(=O)C(C)(C)Cl MCULE-3074145802 [1,1,0,0,0,0|2,0,0]=4 2414 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [1,1,0,0,0,0|1,0,0]=3 2415 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [1,1,0,0,0,0|1,0,0]=3 2416 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [1,1,0,0,0,0|2,0,0]=4 2417 B6R0.7 CC(=O)C(C)(F)F MCULE-7856452896 [1,1,0,0,0,0|2,0,0]=4 2418 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [1,1,0,0,0,0|1,0,0]=3 2419 B6R0.7 CC(C)(Br)C(=O)Br MCULE-3927664220 [1,1,0,0,0,0|2,0,0]=4 2420 B6R0.7 CC(C)(Br)C(=O)Cl MCULE-4186209269 [1,1,0,0,0,0|2,0,0]=4 2421 B6R0.7 CC(C)(Br)C(=O)N MCULE-9238574572 [1,1,0,0,0,0|2,0,0]=4 2422 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [1,1,0,0,0,0|1,0,0]=3 2423 B6R0.7 CC(C)(C)C(=O)Cl MCULE-2528821101 [1,1,0,0,0,0|2,0,0]=4 2424 B6R0.7 CC(C)(C)C(=O)N MCULE-1267347906 [1,1,0,0,0,0|2,0,0]=4 2425 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [1,1,0,0,0,0|1,0,0]=3 2426 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-3836080044 [1,1,0,0,0,0|1,0,1]=4 2427 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-4231941340 [1,1,0,0,0,0|1,0,1]=4 2428 B6R0.7 CC(C)(C)S(=O)O MCULE-4329334255 [1,1,0,0,0,0|2,0,0]=4 2429 B6R0.7 CC(C)(Cl)C(=O)Cl MCULE-1923898716 [1,1,0,0,0,0|2,0,0]=4 2430 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [1,1,0,0,0,0|1,0,0]=3 2431 B6R0.7 CC(C)(F)C(=O)Cl MCULE-5874577670 [1,1,0,0,0,0|2,0,0]=4 2432 B6R0.7 CC(C)(F)C(=O)N MCULE-7528431736 [1,1,0,0,0,0|2,0,0]=4 2433 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [1,1,0,0,0,0|1,0,0]=3 2434 B6R0.7 CC(C)(N)C(=N)N MCULE-2891169783 [1,1,0,0,0,0|2,0,0]=4 2435 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [1,1,0,0,0,0|1,0,0]=3 2436 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [1,1,0,0,0,0|1,0,0]=3 2437 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [1,1,0,0,0,0|1,0,0]=3 2438 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [1,1,0,0,0,0|0,0,0]=2 2439 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [1,1,0,0,0,0|0,0,0]=2 2440 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [1,1,0,0,0,0|2,0,0]=4 2441 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [1,1,0,0,0,0|1,0,0]=3 2442 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [1,1,0,0,0,0|1,0,0]=3 2443 B6R0.7 CC(C)P(=O)(O)O MCULE-4572861400 [1,1,0,0,0,0|2,0,0]=4 2444 B6R0.7 CC(C)S(=O)(=O)O MCULE-2568394676 [1,1,0,0,0,0|2,0,0]=4 2445 B6R0.7 CC(Cl)(Cl)C(=O)Cl MCULE-8935732005 [1,1,0,0,0,0|2,0,0]=4 2446 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [1,1,0,0,0,0|1,0,0]=3 2447 B6R0.7 CC(Cl)(Cl)C(=O)[O-] MCULE-7677513008 [1,1,0,0,0,0|1,0,1]=4 2448 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [1,1,0,0,0,0|1,0,0]=3 2449 B6R0.7 CC(F)(F)C(=O)N MCULE-2299323235 [1,1,0,0,0,0|2,0,0]=4 2450 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [1,1,0,0,0,0|1,0,0]=3 2451 B6R0.7 CC(F)(F)C(=O)[O-] MCULE-1039544757 [1,1,0,0,0,0|1,0,1]=4 2452 B6R0.7 CC(F)(F)C(=S)O MCULE-6682853344 [1,1,0,0,0,0|1,1,0]=4 2453 B6R0.7 CC(N)C(C)(C)O MCULE-4039964918 [1,1,0,0,0,0|1,0,1]=4 2454 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [1,1,0,0,0,0|1,0,0]=3 2455 B6R0.7 CC(O)C(C)(C)N MCULE-3194936121 [1,1,0,0,0,0|1,0,1]=4 2456 B6R0.7 CC(O)C(C)(C)N MCULE-6694352146 [1,1,0,0,0,0|1,0,1]=4 2457 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-3417639330 [1,1,0,0,0,0|1,0,1]=4 2458 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-4565477059 [1,1,0,0,0,0|1,0,1]=4 2459 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-6545041854 [1,1,0,0,0,0|1,0,1]=4 2460 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-7923052614 [1,1,0,0,0,0|1,0,1]=4 2461 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [1,1,0,0,0,0|1,0,0]=3 2462 B6R0.7 C[C@H](N)C(C)(C)O MCULE-2544089301 [1,1,0,0,0,0|1,0,1]=4 2463 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3586309450 [1,1,0,0,0,0|1,0,1]=4 2464 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3878079754 [1,1,0,0,0,0|1,0,1]=4 2465 B6R0.7 C[C@H](N)C(C)(C)O MCULE-6958997632 [1,1,0,0,0,0|1,0,1]=4 2466 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [1,1,0,0,0,0|1,0,0]=3 2467 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [1,1,0,0,0,0|2,0,0]=4 2468 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [1,1,0,0,0,0|2,0,0]=4 2469 B6R0.7 O=C(O)C(Cl)(Cl)Cl MCULE-1368734775 [1,1,0,0,0,0|2,0,0]=4 2470 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [1,1,0,0,0,0|2,0,0]=4 2471 B6R0.7 O=C(O)C(F)(Cl)Cl MCULE-2262288122 [1,1,0,0,0,0|2,0,0]=4 2472 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [1,1,0,0,0,0|2,0,0]=4 2473 B6R0.7 O=C(O)C(F)(F)Cl MCULE-4915780097 [1,1,0,0,0,0|2,0,0]=4 2474 B6R0.7 O=C(O)C(F)(F)F MCULE-1123900266 [1,1,0,0,0,0|2,0,0]=4 2475 B6R0.7 O=C(O)C(F)(F)F MCULE-1306154157 [1,1,0,0,0,0|2,0,0]=4 2476 B6R0.7 O=C(O)C(F)(F)F MCULE-1561231965 [1,1,0,0,0,0|2,0,0]=4 2477 B6R0.7 O=C(O)C(F)(F)F MCULE-1816747517 [1,1,0,0,0,0|2,0,0]=4 2478 B6R0.7 O=C(O)C(F)(F)F MCULE-2319878190 [1,1,0,0,0,0|2,0,0]=4 2479 B6R0.7 O=C(O)C(F)(F)F MCULE-2350887018 [1,1,0,0,0,0|2,0,0]=4 2480 B6R0.7 O=C(O)C(F)(F)F MCULE-3649131132 [1,1,0,0,0,0|2,0,0]=4 2481 B6R0.7 O=C(O)C(F)(F)F MCULE-4102655453 [1,1,0,0,0,0|2,0,0]=4 2482 B6R0.7 O=C(O)C(F)(F)F MCULE-4310110442 [1,1,0,0,0,0|2,0,0]=4 2483 B6R0.7 O=C(O)C(F)(F)F MCULE-4552778330 [1,1,0,0,0,0|2,0,0]=4 2484 B6R0.7 O=C(O)C(F)(F)F MCULE-7120837354 [1,1,0,0,0,0|2,0,0]=4 2485 B6R0.7 O=C(O)C(F)(F)F MCULE-7149887430 [1,1,0,0,0,0|2,0,0]=4 2486 B6R0.7 O=C(O)C(F)(F)F MCULE-7852591452 [1,1,0,0,0,0|2,0,0]=4 2487 B6R0.7 O=C(O)C(F)(F)F MCULE-8109453485 [1,1,0,0,0,0|2,0,0]=4 2488 B6R0.7 O=C(O)C(F)(F)F MCULE-8676558809 [1,1,0,0,0,0|2,0,0]=4 2489 B6R0.7 O=C(O)C(F)(F)F MCULE-9277867041 [1,1,0,0,0,0|2,0,0]=4 2490 B6R0.7 O=C(O)C(F)(F)F MCULE-9449194409 [1,1,0,0,0,0|2,0,0]=4 2491 B6R0.7 O=C(O)C(F)(F)F MCULE-9734884974 [1,1,0,0,0,0|2,0,0]=4 2492 B6R0.7 O=C(O)C(F)(F)F MCULE-9976402631 [1,1,0,0,0,0|2,0,0]=4 2493 B6R0.7 O=C(O)C(F)(F)I MCULE-5082044093 [1,1,0,0,0,0|2,0,0]=4 2494 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,1,0,0,0,1|2,0,0]=4 2495 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,1,0,0,0,1|2,0,0]=4 2496 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,1,0,0,0,1|2,0,0]=4 2497 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,1,0,0,0,1|2,0,0]=4 2498 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,1,0,0,0,1|2,0,0]=4 2499 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,1|2,0,0]=4 2500 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,1|2,0,0]=4 2501 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,1|2,0,0]=4 2502 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,1,0,0,0,1|2,0,0]=4 2503 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,1,0,0,0,1|2,0,0]=4 2504 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,1,0,0,0,1|2,0,0]=4 2505 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,1,0,0,0,1|2,0,0]=4 2506 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,1,0,0,0,1|2,0,0]=4 2507 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,1|2,0,0]=4 2508 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,1|2,0,0]=4 2509 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,1|2,0,0]=4 2510 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,1|2,0,0]=4 2511 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,1,0,0,0,1|2,0,0]=4 2512 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,1,0,0,0,1|2,0,0]=4 2513 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,1,0,0,0,1|2,0,0]=4 2514 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,1,0,0,0,1|2,0,0]=4 2515 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,1,0,0,0,1|2,0,0]=4 2516 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,1,0,0,0,1|2,0,0]=4 2517 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,1,0,0,0,1|2,0,0]=4 2518 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,1,0,0,0,1|2,0,0]=4 2519 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,1,0,0,0,1|2,0,0]=4 2520 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,1,0,0,0,1|2,0,0]=4 2521 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,1,0,0,0,1|2,0,0]=4 2522 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,1|2,0,0]=4 2523 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,1|2,0,0]=4 2524 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,1|2,0,0]=4 2525 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,1|2,0,0]=4 2526 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,1|1,1,0]=4 2527 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,1|1,1,0]=4 2528 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,1|1,1,0]=4 2529 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,1,0,0,0,1|1,0,0]=3 2530 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,1,0,0,0,1|1,0,0]=3 2531 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,1,0,0,0,1|1,0,0]=3 2532 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,1,0,0,0,1|1,0,0]=3 2533 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,1,0,0,0,1|1,0,0]=3 2534 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,1,0,0,0,1|1,0,0]=3 2535 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,1,0,0,0,1|1,0,0]=3 2536 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,1,0,0,0,1|1,0,0]=3 2537 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,1,0,0,0,1|1,0,0]=3 2538 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,1,0,0,0,1|1,0,0]=3 2539 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,1|1,0,0]=3 2540 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,1|1,0,0]=3 2541 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,1|1,0,0]=3 2542 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,1|1,0,0]=3 2543 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,1|1,0,0]=3 2544 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,1|1,0,0]=3 2545 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,1|1,0,0]=3 2546 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,1|1,0,0]=3 2547 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,1|1,0,0]=3 2548 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,1|1,0,0]=3 2549 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,1|1,0,0]=3 2550 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,1|1,0,0]=3 2551 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,1,0,0,0,1|2,0,0]=4 2552 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,1|1,0,0]=3 2553 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,1|1,0,0]=3 2554 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,1|1,0,0]=3 2555 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,1|1,0,0]=3 2556 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,1,0,0,0,1|2,0,0]=4 2557 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,1|1,0,0]=3 2558 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,1|1,0,0]=3 2559 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,1|1,0,0]=3 2560 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,1|1,0,0]=3 2561 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,1|1,0,0]=3 2562 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,1,0,0,0,1|2,0,0]=4 2563 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,1,0,0,0,1|2,0,0]=4 2564 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,1,0,0,0,1|1,0,1]=4 2565 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,1,0,0,0,1|1,0,1]=4 2566 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,1,0,0,0,1|2,0,0]=4 2567 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,1,0,0,0,1|2,0,0]=4 2568 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,1,0,0,0,1|2,0,0]=4 2569 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,1,0,0,0,1|1,1,0]=4 2570 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,1,0,0,0,1|2,0,0]=4 2571 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,1,0,0,0,1|2,0,0]=4 2572 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,1,0,0,0,1|2,0,0]=4 2573 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,1,0,0,0,1|2,0,0]=4 2574 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,1,0,0,0,1|2,0,0]=4 2575 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,1,0,0,0,1|2,0,0]=4 2576 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,1,0,0,0,1|2,0,0]=4 2577 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,1,0,0,0,1|2,0,0]=4 2578 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,1,0,0,0,1|0,1,0]=3 2579 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,1,0,0,0,1|2,0,0]=4 2580 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,1,0,0,0,1|2,0,0]=4 2581 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,1,0,0,0,1|1,0,0]=3 2582 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,1,0,0,0,1|1,0,0]=3 2583 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,1,0,0,0,1|1,0,0]=3 2584 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,1,0,0,0,1|1,0,0]=3 2585 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,1,0,0,0,1|1,0,0]=3 2586 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,1,0,0,0,1|2,0,0]=4 2587 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,1,0,0,0,1|2,0,0]=4 2588 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,1,0,0,0,1|1,0,0]=3 2589 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,1,0,0,0,1|1,0,0]=3 2590 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,1,0,0,0,1|1,0,0]=3 2591 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,1,0,0,0,1|1,0,0]=3 2592 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,1,0,0,0,1|2,0,0]=4 2593 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,1,0,0,0,1|2,0,0]=4 2594 B8R0.19 COC(=O)C=C(N)CF MCULE-6823347436 [0,1,0,0,0,1|1,0,1]=4 2595 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,1,0,0,0,1|2,0,0]=4 2596 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,1,0,0,0,1|1,0,0]=3 2597 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,1,0,0,0,1|1,0,0]=3 2598 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,1,0,0,0,1|0,1,0]=3 2599 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,1,0,0,0,1|0,1,0]=3 2600 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,1,0,0,0,1|2,0,0]=4 2601 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,1,0,0,0,1|2,0,0]=4 2602 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,1,0,0,0,1|2,0,0]=4 2603 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,1,0,0,0,1|1,1,0]=4 2604 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,1,0,0,0,1|1,1,0]=4 2605 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,1,0,0,0,1|2,0,0]=4 2606 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,1,0,0,0,1|2,0,0]=4 2607 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,1,0,0,0,1|2,0,0]=4 2608 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,1,0,0,0,1|2,0,0]=4 2609 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,1,0,0,0,1|1,1,0]=4 2610 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,1,0,0,0,1|1,1,0]=4 2611 B8R0.19 COC(=O)NC(C)CN MCULE-4563927308 [0,1,0,0,0,1|2,0,0]=4 2612 B8R0.19 COC(=O)NC(C)CN MCULE-8813177733 [0,1,0,0,0,1|2,0,0]=4 2613 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-1533957902 [0,1,0,0,0,1|2,0,0]=4 2614 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-7036214898 [0,1,0,0,0,1|2,0,0]=4 2615 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-8908212489 [0,1,0,0,0,1|2,0,0]=4 2616 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-9526857370 [0,1,0,0,0,1|2,0,0]=4 2617 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,1,0,0,0,1|1,1,0]=4 2618 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,1,0,0,0,1|1,0,0]=3 2619 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,1|1,0,1]=4 2620 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,1|0,1,1]=4 2621 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,1|2,0,0]=4 2622 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,1|1,0,0]=3 2623 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,1|1,0,0]=3 2624 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,1|1,0,0]=3 2625 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,1|1,0,0]=3 2626 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,1|2,0,0]=4 2627 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,1|1,0,0]=3 2628 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,1|1,0,0]=3 2629 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,1|1,0,0]=3 2630 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,1|1,0,0]=3 2631 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,1|2,0,0]=4 2632 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,1|1,0,0]=3 2633 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,1|1,0,0]=3 2634 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,1|1,0,0]=3 2635 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,1|1,0,0]=3 2636 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,1,0,0,0,1|2,0,0]=4 2637 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,1|0,1,0]=3 2638 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,1|0,1,0]=3 2639 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,1|0,1,0]=3 2640 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,1|0,1,0]=3 2641 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,1|0,1,0]=3 2642 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,1|0,1,0]=3 2643 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,1|0,1,0]=3 2644 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,1|0,1,0]=3 2645 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,1|0,1,0]=3 2646 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,1|0,1,1]=4 2647 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,1|0,1,1]=4 2648 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,1|0,1,1]=4 2649 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,1|0,1,1]=4 2650 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,1|0,1,1]=4 2651 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,1|0,1,1]=4 2652 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,1|0,1,1]=4 2653 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,1|0,1,1]=4 2654 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,1|0,1,1]=4 2655 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,1|0,1,1]=4 2656 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,1|0,1,1]=4 2657 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,1|0,1,1]=4 2658 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,1|0,1,1]=4 2659 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,1|0,1,1]=4 2660 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,1|0,1,1]=4 2661 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,1|0,1,1]=4 2662 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,1,0,0,0,1|1,0,1]=4 2663 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,1,0,0,0,1|1,0,1]=4 2664 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,1,0,0,0,1|2,0,0]=4 2665 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,1,0,0,0,1|2,0,0]=4 2666 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,1,0,0,0,1|2,0,0]=4 2667 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,1,0,0,0,1|1,1,0]=4 2668 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,1,0,0,0,1|2,0,0]=4 2669 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,1,0,0,0,1|2,0,0]=4 2670 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,1,0,0,0,1|2,0,0]=4 2671 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,1,0,0,0,1|2,0,0]=4 2672 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,1,0,0,0,1|2,0,0]=4 2673 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,1,0,0,0,1|2,0,0]=4 2674 B8R0.3 C#CCC(C)C(=O)OC MCULE-6858702149 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.3 C#CCC(N)C(=O)OC MCULE-2178950640 [0,2,0,0,0,0|1,0,0]=3 2676 B8R0.3 C#CCC(N)C(=O)OC MCULE-6758978147 [0,2,0,0,0,0|1,0,0]=3 2677 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-1974908886 [0,2,0,0,0,0|1,0,0]=3 2678 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-4511622416 [0,2,0,0,0,0|1,0,0]=3 2679 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-1519824425 [0,2,0,0,0,0|1,0,0]=3 2680 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-2744971317 [0,2,0,0,0,0|1,0,0]=3 2681 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-4813964115 [0,2,0,0,0,0|1,0,0]=3 2682 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-6433911913 [0,2,0,0,0,0|1,0,0]=3 2683 B8R0.3 C=CCC(Cl)C(=O)OC MCULE-6530091518 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [0,2,0,0,0,0|1,0,0]=3 2685 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [0,2,0,0,0,0|1,0,0]=3 2686 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [0,2,0,0,0,0|1,0,0]=3 2687 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [0,2,0,0,0,0|1,0,0]=3 2688 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [0,2,0,0,0,0|1,0,0]=3 2689 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [0,2,0,0,0,0|1,0,0]=3 2690 B8R0.3 C=CC[C@@H](O)C(=O)OC MCULE-5528424936 [0,2,0,0,0,0|2,0,0]=4 2691 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [0,2,0,0,0,0|1,0,0]=3 2692 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [0,2,0,0,0,0|1,0,0]=3 2693 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [0,2,0,0,0,0|1,0,0]=3 2694 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [0,2,0,0,0,0|1,0,0]=3 2695 B8R0.3 CCC(C)C(=O)OCCl MCULE-6202928203 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.3 CCCC(=O)C(N)CO MCULE-4196745965 [0,2,0,0,0,0|1,1,0]=4 2697 B8R0.3 CCCC(=O)C(N)CO MCULE-9001126199 [0,2,0,0,0,0|1,1,0]=4 2698 B8R0.3 CCCC(Br)C(=O)OC MCULE-2779995445 [0,2,0,0,0,0|2,0,0]=4 2699 B8R0.3 CCCC(C)C(=O)OC MCULE-6953134216 [0,2,0,0,0,0|2,0,0]=4 2700 B8R0.3 CCCC(N)C(=O)NC MCULE-3980097421 [0,2,0,0,0,0|2,0,0]=4 2701 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [0,2,0,0,0,0|1,0,0]=3 2702 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [0,2,0,0,0,0|1,0,0]=3 2703 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [0,2,0,0,0,0|1,0,0]=3 2704 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [0,2,0,0,0,0|1,0,0]=3 2705 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [0,2,0,0,0,0|1,0,0]=3 2706 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [0,2,0,0,0,0|1,0,0]=3 2707 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [0,2,0,0,0,0|1,0,0]=3 2708 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [0,2,0,0,0,0|1,0,0]=3 2709 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [0,2,0,0,0,0|1,0,0]=3 2710 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [0,2,0,0,0,0|1,0,0]=3 2711 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [0,2,0,0,0,0|1,0,0]=3 2712 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [0,2,0,0,0,0|1,0,0]=3 2713 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [0,2,0,0,0,0|1,0,0]=3 2714 B8R0.3 CCNC(=O)C(N)CC MCULE-2664739052 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.3 CCNC(=O)[C@@H](N)CC MCULE-2776960278 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.3 CCNC(=O)[C@@H](N)CC MCULE-4327862853 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.3 CCNC(C)C(=O)OC MCULE-3289750233 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.3 CCNC(C)C(=O)OC MCULE-6862987622 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.3 CCN[C@@H](C)C(=O)OC MCULE-5663920756 [0,2,0,0,0,0|2,0,0]=4 2720 B8R0.3 CCOC(=O)C(Br)CBr MCULE-3811489890 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.3 CCOC(=O)C(Br)CC MCULE-2467634064 [0,2,0,0,0,0|2,0,0]=4 2722 B8R0.3 CCOC(=O)C(C)CBr MCULE-9513285816 [0,2,0,0,0,0|2,0,0]=4 2723 B8R0.3 CCOC(=O)C(C)CC MCULE-3895639860 [0,2,0,0,0,0|2,0,0]=4 2724 B8R0.3 CCOC(=O)C(C)CCl MCULE-9783842448 [0,2,0,0,0,0|2,0,0]=4 2725 B8R0.3 CCOC(=O)C(C)CN MCULE-6123639141 [0,2,0,0,0,0|2,0,0]=4 2726 B8R0.3 CCOC(=O)C(C)CN MCULE-6716626093 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.3 CCOC(=O)C(C)CO MCULE-7936560025 [0,2,0,0,0,0|1,1,0]=4 2728 B8R0.3 CCOC(=O)C(Cl)CCl MCULE-3086938360 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.3 CCOC(=O)C(N)C#N MCULE-3893668766 [0,2,0,0,0,0|1,0,1]=4 2730 B8R0.3 CCOC(=O)C(N)C#N MCULE-4201771605 [0,2,0,0,0,0|1,0,1]=4 2731 B8R0.3 CCOC(=O)C(N)C#N MCULE-5860664428 [0,2,0,0,0,0|1,0,1]=4 2732 B8R0.3 CCOC(=O)C(N)C#N MCULE-5957058937 [0,2,0,0,0,0|1,0,1]=4 2733 B8R0.3 CCOC(=O)C(N)C#N MCULE-6898947047 [0,2,0,0,0,0|1,0,1]=4 2734 B8R0.3 CCOC(=O)C(N)CC MCULE-1078770122 [0,2,0,0,0,0|1,0,0]=3 2735 B8R0.3 CCOC(=O)C(N)CC MCULE-4005480919 [0,2,0,0,0,0|1,0,0]=3 2736 B8R0.3 CCOC(=O)C(N)CC MCULE-7008098270 [0,2,0,0,0,0|1,0,0]=3 2737 B8R0.3 CCOC(=O)C(N)CC MCULE-9698514597 [0,2,0,0,0,0|1,0,0]=3 2738 B8R0.3 CCOC(=O)C(N)CO MCULE-1666659750 [0,2,0,0,0,0|0,1,0]=3 2739 B8R0.3 CCOC(=O)C(N)CO MCULE-1998512614 [0,2,0,0,0,0|0,1,0]=3 2740 B8R0.3 CCOC(=O)C(N)CO MCULE-2382743439 [0,2,0,0,0,0|0,1,0]=3 2741 B8R0.3 CCOC(=O)C(N)CO MCULE-8735565522 [0,2,0,0,0,0|0,1,0]=3 2742 B8R0.3 CCOC(=O)C(N)CS MCULE-1346857927 [0,2,0,0,0,0|0,1,0]=3 2743 B8R0.3 CCOC(=O)C(N)CS MCULE-2778317647 [0,2,0,0,0,0|0,1,0]=3 2744 B8R0.3 CCOC(=O)C(N)CS MCULE-4631330176 [0,2,0,0,0,0|0,1,0]=3 2745 B8R0.3 CCOC(=O)C(N)CS MCULE-9332095158 [0,2,0,0,0,0|0,1,0]=3 2746 B8R0.3 CCOC(=O)C(O)CC MCULE-7418568069 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.3 CCOC(=O)C(S)CC MCULE-8709451175 [0,2,0,0,0,0|2,0,0]=4 2748 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3295720196 [0,2,0,0,0,0|1,0,0]=3 2749 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3974992068 [0,2,0,0,0,0|1,0,0]=3 2750 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-6812206052 [0,2,0,0,0,0|1,0,0]=3 2751 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-7278573962 [0,2,0,0,0,0|1,0,0]=3 2752 B8R0.3 CCOC(=O)[C@@H](N)CN MCULE-3992415653 [0,2,0,0,0,0|1,0,0]=3 2753 B8R0.3 CCOC(=O)[C@@H](N)CN MCULE-5633443221 [0,2,0,0,0,0|1,0,0]=3 2754 B8R0.3 CCOC(=O)[C@@H](N)CO MCULE-3922789205 [0,2,0,0,0,0|0,1,0]=3 2755 B8R0.3 CCOC(=O)[C@@H](N)CO MCULE-4123182744 [0,2,0,0,0,0|0,1,0]=3 2756 B8R0.3 CCOC(=O)[C@@H](N)CO MCULE-9348155020 [0,2,0,0,0,0|0,1,0]=3 2757 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-4155299626 [0,2,0,0,0,0|0,1,0]=3 2758 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-5221844279 [0,2,0,0,0,0|0,1,0]=3 2759 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-7483061356 [0,2,0,0,0,0|0,1,0]=3 2760 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-9958458010 [0,2,0,0,0,0|0,1,0]=3 2761 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-5702747043 [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-6151562245 [0,2,0,0,0,0|2,0,0]=4 2763 B8R0.3 CCOC(=O)[C@H](N)CC MCULE-6501312525 [0,2,0,0,0,0|1,0,0]=3 2764 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-5633972344 [0,2,0,0,0,0|0,1,0]=3 2765 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-6411527516 [0,2,0,0,0,0|0,1,0]=3 2766 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-9780267969 [0,2,0,0,0,0|0,1,0]=3 2767 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-9929488925 [0,2,0,0,0,0|0,1,0]=3 2768 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-3111652654 [0,2,0,0,0,0|0,1,0]=3 2769 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-5156842229 [0,2,0,0,0,0|0,1,0]=3 2770 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-7914546483 [0,2,0,0,0,0|0,1,0]=3 2771 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-8471951192 [0,2,0,0,0,0|0,1,0]=3 2772 B8R0.3 CCOC(=O)[C@H](O)CC MCULE-8200594440 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.3 CNCC(Br)C(=O)OC MCULE-2818400613 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.3 CNCC(Br)C(=O)OC MCULE-5823314810 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.3 CNCC(C)C(=O)OC MCULE-5525958870 [0,2,0,0,0,0|2,0,0]=4 2776 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [0,2,0,0,0,0|1,0,0]=3 2777 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [0,2,0,0,0,0|1,0,0]=3 2778 B8R0.3 COC(=O)C(Br)CCBr MCULE-4290973865 [0,2,0,0,0,0|2,0,0]=4 2779 B8R0.3 COC(=O)C(C)CCBr MCULE-7970722391 [0,2,0,0,0,0|2,0,0]=4 2780 B8R0.3 COC(=O)C(C)CCCl MCULE-3423199485 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.3 COC(=O)C(C)CCN MCULE-4788413403 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.3 COC(=O)C(C)CCN MCULE-6075427964 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [0,2,0,0,0,0|1,0,0]=3 2784 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [0,2,0,0,0,0|1,0,0]=3 2785 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [0,2,0,0,0,0|1,0,0]=3 2786 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [0,2,0,0,0,0|1,0,0]=3 2787 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [0,2,0,0,0,0|0,1,0]=3 2788 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,2,0,0,0,0|0,1,0]=3 2789 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,2,0,0,0,0|0,1,0]=3 2790 B8R0.3 COC(=O)C(O)CCN MCULE-7139144229 [0,2,0,0,0,0|2,0,0]=4 2791 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [0,2,0,0,0,0|1,0,0]=3 2792 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [0,2,0,0,0,0|1,0,0]=3 2793 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [0,2,0,0,0,0|1,0,0]=3 2794 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [0,2,0,0,0,0|1,0,0]=3 2795 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [0,2,0,0,0,0|1,0,0]=3 2796 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [0,2,0,0,0,0|1,0,0]=3 2797 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [0,2,0,0,0,0|0,1,0]=3 2798 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,2,0,0,0,0|0,1,0]=3 2799 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,2,0,0,0,0|0,1,0]=3 2800 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,2,0,0,0,0|0,1,0]=3 2801 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,2,0,0,0,0|0,1,0]=3 2802 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-1204029497 [0,2,0,0,0,0|2,0,0]=4 2803 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-2464186416 [0,2,0,0,0,0|2,0,0]=4 2804 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-4887582087 [0,2,0,0,0,0|2,0,0]=4 2805 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-8785450046 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [0,2,0,0,0,0|1,0,0]=3 2807 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [0,2,0,0,0,0|1,0,0]=3 2808 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,2,0,0,0,0|0,1,0]=3 2809 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,2,0,0,0,0|0,1,0]=3 2810 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [0,2,0,0,0,0|0,1,0]=3 2811 B8R0.3 COCC(Br)C(=O)OC MCULE-5792855565 [0,2,0,0,0,0|1,1,0]=4 2812 B8R0.3 COCC(C)C(=O)OC MCULE-4110856609 [0,2,0,0,0,0|1,1,0]=4 2813 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [0,2,0,0,0,0|0,1,0]=3 2814 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [0,2,0,0,0,0|0,1,0]=3 2815 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [0,2,0,0,0,0|0,1,0]=3 2816 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [0,2,0,0,0,0|0,1,0]=3 2817 B8R0.3 COCC(O)C(=O)OC MCULE-6071304250 [0,2,0,0,0,0|1,1,0]=4 2818 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [0,2,0,0,0,0|0,1,0]=3 2819 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [0,2,0,0,0,0|0,1,0]=3 2820 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [0,2,0,0,0,0|0,1,0]=3 2821 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [0,2,0,0,0,0|0,1,0]=3 2822 B8R0.3 [C@H](N)(CO)C(=O)OCC MCULE-8379845791 [0,2,0,0,0,0|0,1,0]=3 2823 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,2,0,0,0,0|1,0,0]=3 2824 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,2,0,0,0,0|2,0,0]=4 2825 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,2,0,0,0,0|1,0,0]=3 2826 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,2,0,0,0,0|1,0,0]=3 2827 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,2,0,0,0,0|1,0,0]=3 2828 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,2,0,0,0,0|1,0,0]=3 2829 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,2,0,0,0,0|1,0,0]=3 2830 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,2,0,0,0,0|1,0,0]=3 2831 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,2,0,0,0,0|2,0,0]=4 2833 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,2,0,0,0,0|2,0,0]=4 2837 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,2,0,0,0,0|1,0,0]=3 2838 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,2,0,0,0,0|1,0,0]=3 2839 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,2,0,0,0,0|1,0,0]=3 2840 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,2,0,0,0,0|1,0,0]=3 2841 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,2,0,0,0,0|1,0,0]=3 2842 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,2,0,0,0,0|1,0,0]=3 2843 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,2,0,0,0,0|1,0,0]=3 2844 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,2,0,0,0,0|1,0,0]=3 2845 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,2,0,0,0,0|2,0,0]=4 2846 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,2,0,0,0,0|2,0,0]=4 2847 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,2,0,0,0,0|1,0,0]=3 2848 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,2,0,0,0,0|1,0,0]=3 2849 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,2,0,0,0,0|1,0,0]=3 2850 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,2,0,0,0,0|1,0,0]=3 2851 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,2,0,0,0,0|1,0,0]=3 2852 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,2,0,0,0,0|2,0,0]=4 2853 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,2,0,0,0,0|2,0,0]=4 2854 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,2,0,0,0,0|1,1,0]=4 2856 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,2,0,0,0,0|2,0,0]=4 2857 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,2,0,0,0,0|2,0,0]=4 2858 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,2,0,0,0,0|2,0,0]=4 2859 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,2,0,0,0,0|1,0,0]=3 2862 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,2,0,0,0,0|1,0,0]=3 2865 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,2,0,0,0,0|1,0,0]=3 2866 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,2,0,0,0,0|2,0,0]=4 2868 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,2,0,0,0,0|2,0,0]=4 2871 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,2,0,0,0,0|1,0,0]=3 2873 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,2,0,0,0,0|1,0,0]=3 2874 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,2,0,0,0,0|2,0,0]=4 2875 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,2,0,0,0,0|2,0,0]=4 2876 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,2,0,0,0,0|2,0,0]=4 2877 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,2,0,0,0,0|1,1,0]=4 2878 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,2,0,0,0,0|0,1,0]=3 2879 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,2,0,0,0,0|0,1,0]=3 2880 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,2,0,0,0,0|0,1,0]=3 2881 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,2,0,0,0,0|0,1,0]=3 2882 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,2,0,0,0,0|0,1,0]=3 2883 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,2,0,0,0,0|1,1,0]=4 2884 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,2,0,0,0,0|1,1,0]=4 2885 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,2,0,0,0,0|1,1,0]=4 2886 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,2,0,0,0,0|0,1,0]=3 2887 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,2,0,0,0,0|0,1,0]=3 2888 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,2,0,0,0,0|0,1,0]=3 2889 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,2,0,0,0,0|1,1,0]=4 2890 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,2,0,0,0,0|1,1,0]=4 2891 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,2,0,0,0,0|1,1,0]=4 2892 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,2,0,0,0,0|1,1,0]=4 2893 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,2,0,0,0,0|0,1,0]=3 2894 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,2,0,0,0,0|1,1,0]=4 2895 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,2,0,0,0,0|0,1,0]=3 2896 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,2,0,0,0,0|0,1,0]=3 2897 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,2,0,0,0,0|0,1,1]=4 2898 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,2,0,0,0,0|0,1,1]=4 2899 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,2,0,0,0,0|1,1,0]=4 2900 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,2,0,0,0,0|1,1,0]=4 2901 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,2,0,0,0,0|1,1,0]=4 2902 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,2,0,0,0,0|1,1,0]=4 2903 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,2,0,0,0,0|0,1,0]=3 2904 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,2,0,0,0,0|0,1,0]=3 2905 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,2,0,0,0,0|0,1,0]=3 2906 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,2,0,0,0,0|0,0,0]=2 2907 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,2,0,0,0,0|0,0,0]=2 2908 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,2,0,0,0,0|0,0,0]=2 2909 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,2,0,0,0,0|0,1,0]=3 2910 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,2,0,0,0,0|1,0,0]=3 2911 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,2,0,0,0,0|1,0,0]=3 2912 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,2,0,0,0,0|1,0,0]=3 2913 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,2,0,0,0,0|1,0,0]=3 2915 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,2,0,0,0,0|1,0,0]=3 2916 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,2,0,0,0,0|1,0,0]=3 2917 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,2,0,0,0,0|1,0,0]=3 2918 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,2,0,0,0,0|1,0,0]=3 2919 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,2,0,0,0,0|1,0,0]=3 2920 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,2,0,0,0,0|1,0,0]=3 2921 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,2,0,0,0,0|1,0,0]=3 2922 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,2,0,0,0,0|1,0,0]=3 2923 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,2,0,0,0,0|1,0,0]=3 2924 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,2,0,0,0,0|1,0,0]=3 2925 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,2,0,0,0,0|1,0,0]=3 2926 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,2,0,0,0,0|0,1,0]=3 2927 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,2,0,0,0,0|0,1,0]=3 2928 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,2,0,0,0,0|0,1,0]=3 2929 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,2,0,0,0,0|0,1,0]=3 2930 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,2,0,0,0,0|0,1,0]=3 2931 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,2,0,0,0,0|0,1,0]=3 2932 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,2,0,0,0,0|1,1,0]=4 2933 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,2,0,0,0,0|1,0,0]=3 2934 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,2,0,0,0,0|0,1,0]=3 2935 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,2,0,0,0,0|1,0,0]=3 2936 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,2,0,0,0,0|1,0,0]=3 2937 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,2,0,0,0,0|1,0,0]=3 2938 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,2,0,0,0,0|1,0,0]=3 2939 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,2,0,0,0,0|1,0,0]=3 2940 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,2,0,0,0,0|1,0,0]=3 2941 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,2,0,0,0,0|1,0,0]=3 2942 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,2,0,0,0,0|2,0,0]=4 2943 B8R0.12 C#CCC(C)(C)C(=O)O MCULE-9823304703 [0,2,0,0,0,0|2,0,0]=4 2944 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,2,0,0,0,0|1,0,0]=3 2945 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,2,0,0,0,0|1,0,0]=3 2946 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,2,0,0,0,0|1,0,0]=3 2947 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,2,0,0,0,0|1,0,0]=3 2948 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,2,0,0,0,0|1,0,0]=3 2949 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,2,0,0,0,0|1,0,0]=3 2950 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,2,0,0,0,0|1,0,0]=3 2951 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,2,0,0,0,0|2,0,0]=4 2952 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,2,0,0,0,0|1,0,0]=3 2953 B8R0.12 C=CCC(F)(F)C(=O)O MCULE-5503944687 [0,2,0,0,0,0|2,0,0]=4 2954 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,2,0,0,0,0|1,0,0]=3 2955 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,2,0,0,0,0|1,0,0]=3 2956 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,2,0,0,0,0|1,0,0]=3 2957 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,2,0,0,0,0|1,0,0]=3 2958 B8R0.12 CC(C)(CC#N)C(=O)O MCULE-5490055179 [0,2,0,0,0,0|2,0,0]=4 2959 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [0,2,0,0,0,0|2,0,0]=4 2960 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [0,2,0,0,0,0|2,0,0]=4 2961 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [0,2,0,0,0,0|1,1,0]=4 2962 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,2,0,0,0,0|1,0,0]=3 2963 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,2,0,0,0,0|1,0,0]=3 2964 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,2,0,0,0,0|2,0,0]=4 2965 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,2,0,0,0,0|1,0,0]=3 2966 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,2,0,0,0,0|2,0,0]=4 2967 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [0,2,0,0,0,0|2,0,0]=4 2968 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,2,0,0,0,0|1,0,0]=3 2969 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,2,0,0,0,0|2,0,0]=4 2970 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,2,0,0,0,0|2,0,0]=4 2971 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,2,0,0,0,0|2,0,0]=4 2972 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [0,2,0,0,0,0|2,0,0]=4 2973 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [0,2,0,0,0,0|2,0,0]=4 2974 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [0,2,0,0,0,0|2,0,0]=4 2975 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [0,2,0,0,0,0|2,0,0]=4 2976 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [0,2,0,0,0,0|1,1,0]=4 2977 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [0,2,0,0,0,0|1,1,0]=4 2978 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [0,2,0,0,0,0|1,1,0]=4 2979 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [0,2,0,0,0,0|1,1,0]=4 2980 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [0,2,0,0,0,0|1,1,0]=4 2981 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,2,0,0,0,0|1,1,0]=4 2982 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [0,2,0,0,0,0|2,0,0]=4 2983 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [0,2,0,0,0,0|2,0,0]=4 2984 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [0,2,0,0,0,0|2,0,0]=4 2985 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,2,0,0,0,0|1,0,0]=3 2986 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,2,0,0,0,0|1,0,0]=3 2987 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [0,2,0,0,0,0|1,0,0]=3 2988 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [0,2,0,0,0,0|1,0,1]=4 2989 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,2,0,0,0,0|2,0,0]=4 2990 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [0,2,0,0,0,0|1,1,0]=4 2991 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,2,0,0,0,0|1,0,0]=3 2992 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,2,0,0,0,0|1,0,0]=3 2993 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,2,0,0,0,0|1,0,0]=3 2994 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [0,2,0,0,0,0|1,0,0]=3 2995 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [0,2,0,0,0,0|2,0,0]=4 2996 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,2,0,0,0,0|1,0,0]=3 2997 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,2,0,0,0,0|1,0,0]=3 2998 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [0,2,0,0,0,0|1,1,0]=4 2999 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [0,2,0,0,0,0|1,1,0]=4 3000 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,2,0,0,0,0|1,0,0]=3 3001 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,2,0,0,0,0|1,0,0]=3 3002 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,2,0,0,0,0|1,0,0]=3 3003 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [0,2,0,0,0,0|1,0,0]=3 3004 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [0,2,0,0,0,0|2,0,0]=4 3005 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,2,0,0,0,0|2,0,0]=4 3006 B8R0.15 CNC(CCN)C(=O)N MCULE-4176706453 [0,2,0,0,0,0|2,0,0]=4 3007 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [0,2,0,0,0,0|1,0,0]=3 3008 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [0,2,0,0,0,0|1,1,0]=4 3009 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,2,0,0,0,0|0,1,0]=3 3010 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,2,0,0,0,0|0,1,0]=3 3011 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,2,0,0,0,0|0,1,0]=3 3012 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,2,0,0,0,0|0,1,0]=3 3013 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [0,2,0,0,0,0|1,1,0]=4 3014 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [0,2,0,0,0,0|1,1,0]=4 3015 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,2,0,0,0,0|0,1,0]=3 3016 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,2,0,0,0,0|0,1,0]=3 3017 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [0,2,0,0,0,0|1,1,0]=4 3019 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [0,2,0,0,0,0|0,1,0]=3 3020 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [0,2,0,0,0,0|0,1,0]=3 3021 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [0,2,0,0,0,0|0,1,0]=3 3022 B8R0.15 [N-]=[N+]=N[C@@H](CO)C(=O)O MCULE-4986094700 [0,2,0,0,0,0|0,1,1]=4 3023 B8R0.15 [N-]=[N+]=N[C@@H](CO)C(=O)O MCULE-8084316504 [0,2,0,0,0,0|0,1,1]=4 3024 B8R0.15 [N-]=[N+]=N[C@H](CO)C(=O)O MCULE-7126492751 [0,2,0,0,0,0|0,1,1]=4 3025 B8R0.15 [N-]=[N+]=N[C@H](CO)C(=O)O MCULE-8359241001 [0,2,0,0,0,0|0,1,1]=4 3026 B8R0.13 CC(C)(CCl)C(=O)NO MCULE-7417714844 [0,2,0,0,0,0|2,0,0]=4 3027 B8R0.13 CCC(C)(C)C(=O)OC MCULE-4686994014 [0,2,0,0,0,0|2,0,0]=4 3028 B8R0.13 CCC(C)(N)C(=O)OC MCULE-3094414845 [0,2,0,0,0,0|1,0,0]=3 3029 B8R0.13 CCC(C)(N)C(=O)OC MCULE-3671452978 [0,2,0,0,0,0|1,0,0]=3 3030 B8R0.13 CCC(C)(N)C(=O)OC MCULE-7294646980 [0,2,0,0,0,0|1,0,0]=3 3031 B8R0.13 CCC(C)(N)C(=O)OC MCULE-7579678256 [0,2,0,0,0,0|1,0,0]=3 3032 B8R0.13 CCC(C)(N)C(=O)OC MCULE-8600950514 [0,2,0,0,0,0|1,0,0]=3 3033 B8R0.13 CCC(C)(O)C(=O)OC MCULE-8142046975 [0,2,0,0,0,0|2,0,0]=4 3034 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-2166068124 [0,2,0,0,0,0|1,0,0]=3 3035 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-5528793909 [0,2,0,0,0,0|1,0,0]=3 3036 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-5577268972 [0,2,0,0,0,0|1,0,0]=3 3037 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-9937729069 [0,2,0,0,0,0|1,0,0]=3 3038 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-1110630847 [0,2,0,0,0,0|1,0,0]=3 3039 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-1873229791 [0,2,0,0,0,0|1,0,0]=3 3040 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-2400409033 [0,2,0,0,0,0|1,0,0]=3 3041 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-7488892262 [0,2,0,0,0,0|1,0,0]=3 3042 B8R0.13 COC(=O)C(C)(Br)CBr MCULE-7338587134 [0,2,0,0,0,0|2,0,0]=4 3043 B8R0.13 COC(=O)C(C)(C)CBr MCULE-8493306369 [0,2,0,0,0,0|2,0,0]=4 3044 B8R0.13 COC(=O)C(C)(C)CN MCULE-3876518389 [0,2,0,0,0,0|2,0,0]=4 3045 B8R0.13 COC(=O)C(C)(C)CN MCULE-6058798123 [0,2,0,0,0,0|2,0,0]=4 3046 B8R0.13 COC(=O)C(C)(C)CO MCULE-5007341074 [0,2,0,0,0,0|1,1,0]=4 3047 B8R0.13 COC(=O)C(C)(C)CS MCULE-1609978379 [0,2,0,0,0,0|1,1,0]=4 3048 B8R0.13 COC(=O)C(C)(N)CO MCULE-3846577646 [0,2,0,0,0,0|0,1,0]=3 3049 B8R0.13 COC(=O)C(C)(N)CO MCULE-4981173106 [0,2,0,0,0,0|0,1,0]=3 3050 B8R0.13 COC(=O)C(C)(O)CCl MCULE-5923752147 [0,2,0,0,0,0|2,0,0]=4 3051 B8R0.13 COC(=O)C(C)(O)CN MCULE-4142904446 [0,2,0,0,0,0|2,0,0]=4 3052 B8R0.13 COC(=O)C(C)(O)CN MCULE-7145315033 [0,2,0,0,0,0|2,0,0]=4 3053 B8R0.13 COC(=O)C(F)(F)CBr MCULE-4822172189 [0,2,0,0,0,0|2,0,0]=4 3054 B8R0.13 COC(=O)C(F)(F)CN MCULE-6242672860 [0,2,0,0,0,0|2,0,0]=4 3055 B8R0.13 COC(=O)C(F)(F)CN MCULE-6342895274 [0,2,0,0,0,0|2,0,0]=4 3056 B8R0.13 COC(=O)[C@@](C)(N)CO MCULE-2857382898 [0,2,0,0,0,0|0,1,0]=3 3057 B8R0.13 COC(=O)[C@@](C)(N)CO MCULE-3226982515 [0,2,0,0,0,0|0,1,0]=3 3058 B8R0.20 CCC(CC)C(=O)OC MCULE-4475439540 [0,2,0,0,0,0|2,0,0]=4 3059 B8R0.20 CCC(CN)C(=O)OC MCULE-1321974588 [0,2,0,0,0,0|1,0,0]=3 3060 B8R0.20 CCC(CN)C(=O)OC MCULE-3486156834 [0,2,0,0,0,0|1,0,0]=3 3061 B8R0.20 CCC(CO)C(=O)OC MCULE-3580039708 [0,2,0,0,0,0|1,1,0]=4 3062 B8R0.20 CCC(NC)C(=O)OC MCULE-2432468432 [0,2,0,0,0,0|1,0,0]=3 3063 B8R0.20 CCC(NC)C(=O)OC MCULE-3478855741 [0,2,0,0,0,0|1,0,0]=3 3064 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-3786730078 [0,2,0,0,0,0|1,0,0]=3 3065 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-5452442009 [0,2,0,0,0,0|1,0,0]=3 3066 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-6957965861 [0,2,0,0,0,0|1,0,0]=3 3067 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-7876560081 [0,2,0,0,0,0|1,0,0]=3 3068 B8R0.20 CNC(CN)C(=O)OC MCULE-3787828683 [0,2,0,0,0,0|1,0,0]=3 3069 B8R0.20 CNC(CO)C(=O)OC MCULE-1017957273 [0,2,0,0,0,0|0,1,0]=3 3070 B8R0.20 CNC(CO)C(=O)OC MCULE-2751377307 [0,2,0,0,0,0|0,1,0]=3 3071 B8R0.20 COC(=O)C(CBr)CBr MCULE-2058360654 [0,2,0,0,0,0|2,0,0]=4 3072 B8R0.20 COC(=O)C(CBr)OC MCULE-1221978209 [0,2,0,0,0,0|2,0,0]=4 3073 B8R0.20 COC(=O)C(CN)CN MCULE-2482587382 [0,2,0,0,0,0|1,0,0]=3 3074 B8R0.20 COC(=O)C(CN)CN MCULE-7758396429 [0,2,0,0,0,0|1,0,0]=3 3075 B8R0.20 COC(=O)C(CN)OC MCULE-2907367615 [0,2,0,0,0,0|2,0,0]=4 3076 B8R0.20 COC(=O)[C@H](CN)OC MCULE-7711946747 [0,2,0,0,0,0|2,0,0]=4 3077 B8R0.20 COC(=O)[C@H](CN)OC MCULE-8104475257 [0,2,0,0,0,0|2,0,0]=4 3078 B8R0.36 C=CC(C)(CC)C(=O)O MCULE-9807737236 [0,2,0,0,0,0|2,0,0]=4 3079 B8R0.36 C=CC(N)(CO)C(=O)O MCULE-8811599430 [0,2,0,0,0,0|0,1,0]=3 3080 B8R0.36 CC(CCl)(CCl)C(=O)O MCULE-2585521435 [0,2,0,0,0,0|2,0,0]=4 3081 B8R0.36 CC(CF)(CF)C(=O)O MCULE-6853615208 [0,2,0,0,0,0|2,0,0]=4 3082 B8R0.36 CC(CO)(CO)C(=O)O MCULE-5702110239 [0,2,0,0,0,0|1,1,0]=4 3083 B8R0.36 CCC(Br)(CC)C(=O)O MCULE-6441337805 [0,2,0,0,0,0|2,0,0]=4 3084 B8R0.36 CCC(C)(C#N)C(=O)O MCULE-5558018145 [0,2,0,0,0,0|1,0,1]=4 3085 B8R0.36 CCC(C)(CC)C(=O)O MCULE-1997463075 [0,2,0,0,0,0|2,0,0]=4 3086 B8R0.36 CCC(C)(CO)C(=O)O MCULE-7481967307 [0,2,0,0,0,0|1,1,0]=4 3087 B8R0.36 CCC(C)(OC)C(=O)O MCULE-9916724590 [0,2,0,0,0,0|2,0,0]=4 3088 B8R0.36 CCC(F)(CC)C(=O)O MCULE-9436369621 [0,2,0,0,0,0|2,0,0]=4 3089 B8R0.36 CCC(N)(CC)C(=O)N MCULE-4886059492 [0,2,0,0,0,0|2,0,0]=4 3090 B8R0.36 CCC(N)(CC)C(=O)N MCULE-8377450478 [0,2,0,0,0,0|2,0,0]=4 3091 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9609626868 [0,2,0,0,0,0|1,0,0]=3 3092 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9646246236 [0,2,0,0,0,0|1,0,0]=3 3093 B8R0.36 CCC(O)(CC)C(=O)O MCULE-9621851149 [0,2,0,0,0,0|2,0,0]=4 3094 B8R0.37 CC(Br)C(C)(Br)C(=O)O MCULE-4288495047 [0,2,0,0,0,0|2,0,0]=4 3095 B8R0.37 CC(C)(C(=O)O)C(F)F MCULE-4082438822 [0,2,0,0,0,0|2,0,0]=4 3096 B8R0.37 CC(C)C(C)(C)C(=O)O MCULE-8335448418 [0,2,0,0,0,0|2,0,0]=4 3097 B8R0.37 CC(C)C(C)(N)C(=O)N MCULE-6386036357 [0,2,0,0,0,0|2,0,0]=4 3098 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-2018617657 [0,2,0,0,0,0|1,0,0]=3 3099 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-8116018936 [0,2,0,0,0,0|1,0,0]=3 3100 B8R0.37 CC(C)C(C)(O)C(=O)O MCULE-3909217790 [0,2,0,0,0,0|2,0,0]=4 3101 B8R0.37 CC(C)C(F)(F)C(=O)O MCULE-2732318443 [0,2,0,0,0,0|2,0,0]=4 3102 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-1672449529 [0,2,0,0,0,0|1,0,0]=3 3103 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-5333264309 [0,2,0,0,0,0|1,0,0]=3 3104 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-3942243398 [0,2,0,0,0,0|1,0,0]=3 3105 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-5291448404 [0,2,0,0,0,0|1,0,0]=3 3106 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-4369218088 [0,2,0,0,0,0|2,0,0]=4 3107 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-9651473536 [0,2,0,0,0,0|2,0,0]=4 3108 B8R0.37 CC(O)(C(=O)O)C(F)F MCULE-8638068323 [0,2,0,0,0,0|2,0,0]=4 3109 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,2,0,0,0,0|0,1,0]=3 3110 B8R0.37 CC(O)C(C)(O)C(=O)O MCULE-5546110054 [0,2,0,0,0,0|1,1,0]=4 3111 B8R0.37 CC(O)C(F)(F)C(=O)O MCULE-8714570962 [0,2,0,0,0,0|1,1,0]=4 3112 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,2,0,0,0,0|0,1,0]=3 3113 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,2,0,0,0,0|0,1,0]=3 3114 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,2,0,0,0,0|0,1,0]=3 3115 B8R0.37 O=C(O)C(F)(F)C(F)Br MCULE-1128175847 [0,2,0,0,0,0|2,0,0]=4 3116 B8R0.37 O=C(O)C(F)(F)C(F)F MCULE-7798040617 [0,2,0,0,0,0|2,0,0]=4 3117 B8R0.27 C(N)(C(=O)O)C(C)(C)S MCULE-1893345960 [0,2,0,0,0,0|0,1,0]=3 3118 B8R0.27 CC(=O)[C@@H](N)C(C)(C)C MCULE-9412848571 [0,2,0,0,0,0|2,0,0]=4 3119 B8R0.27 CC(C(=O)O)C(C)(C)C MCULE-5931607530 [0,2,0,0,0,0|2,0,0]=4 3120 B8R0.27 CC(C(=O)O)C(C)(F)F MCULE-3134887311 [0,2,0,0,0,0|2,0,0]=4 3121 B8R0.27 CC(C(=O)O)C(F)(F)F MCULE-9928416670 [0,2,0,0,0,0|2,0,0]=4 3122 B8R0.27 CC(C)(Br)C(Br)C(=O)O MCULE-2600237498 [0,2,0,0,0,0|2,0,0]=4 3123 B8R0.27 CC(C)(C)C(Br)C(=O)O MCULE-3140400663 [0,2,0,0,0,0|2,0,0]=4 3124 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-3894112806 [0,2,0,0,0,0|2,0,0]=4 3125 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7020753722 [0,2,0,0,0,0|2,0,0]=4 3126 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7146166501 [0,2,0,0,0,0|2,0,0]=4 3127 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7871694729 [0,2,0,0,0,0|2,0,0]=4 3128 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-4378220677 [0,2,0,0,0,0|1,0,0]=3 3129 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-7142182400 [0,2,0,0,0,0|1,0,0]=3 3130 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-9877941557 [0,2,0,0,0,0|1,0,0]=3 3131 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-2831225594 [0,2,0,0,0,0|2,0,0]=4 3132 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-6241480954 [0,2,0,0,0,0|2,0,0]=4 3133 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N MCULE-9445074583 [0,2,0,0,0,0|2,0,0]=4 3134 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-1280092872 [0,2,0,0,0,0|1,0,0]=3 3135 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-8741274445 [0,2,0,0,0,0|1,0,0]=3 3136 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-9585981018 [0,2,0,0,0,0|1,0,0]=3 3137 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-4712331175 [0,2,0,0,0,0|2,0,0]=4 3138 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-9440383034 [0,2,0,0,0,0|2,0,0]=4 3139 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O MCULE-3604683063 [0,2,0,0,0,0|2,0,0]=4 3140 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-2483407443 [0,2,0,0,0,0|2,0,0]=4 3141 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-4654034585 [0,2,0,0,0,0|2,0,0]=4 3142 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9173080997 [0,2,0,0,0,0|2,0,0]=4 3143 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9398616649 [0,2,0,0,0,0|2,0,0]=4 3144 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-2361901374 [0,2,0,0,0,0|1,0,0]=3 3145 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-7700637346 [0,2,0,0,0,0|1,0,0]=3 3146 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8028056550 [0,2,0,0,0,0|1,0,0]=3 3147 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8791211435 [0,2,0,0,0,0|1,0,0]=3 3148 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-4165755614 [0,2,0,0,0,0|2,0,0]=4 3149 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-6845662197 [0,2,0,0,0,0|2,0,0]=4 3150 B8R0.27 CC(C)(F)C(Br)C(=O)O MCULE-8601470705 [0,2,0,0,0,0|2,0,0]=4 3151 B8R0.27 CC(C)(F)C(N)C(=O)O MCULE-3479476353 [0,2,0,0,0,0|1,0,0]=3 3152 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-4975554837 [0,2,0,0,0,0|1,0,0]=3 3153 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-6202392495 [0,2,0,0,0,0|1,0,0]=3 3154 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,2,0,0,0,0|0,1,0]=3 3155 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,2,0,0,0,0|0,1,0]=3 3156 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,2,0,0,0,0|0,1,0]=3 3157 B8R0.27 CC(C)(O)C(O)C(=O)O MCULE-2030710507 [0,2,0,0,0,0|1,1,0]=4 3158 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,2,0,0,0,0|0,1,0]=3 3159 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,2,0,0,0,0|0,1,0]=3 3160 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,2,0,0,0,0|0,1,0]=3 3161 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,2,0,0,0,0|0,1,0]=3 3162 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,2,0,0,0,0|0,1,0]=3 3163 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-4184299411 [0,2,0,0,0,0|0,1,0]=3 3164 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-8542176080 [0,2,0,0,0,0|0,1,0]=3 3165 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-5986342172 [0,2,0,0,0,0|0,1,0]=3 3166 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-9856748563 [0,2,0,0,0,0|0,1,0]=3 3167 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-3098543641 [0,2,0,0,0,0|0,1,0]=3 3168 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-9539588985 [0,2,0,0,0,0|0,1,0]=3 3169 B8R0.27 CC(C)C(N)S(=O)(=O)O MCULE-1741232006 [0,2,0,0,0,0|2,0,0]=4 3170 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-1789483909 [0,2,0,0,0,0|1,0,0]=3 3171 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-3186979989 [0,2,0,0,0,0|1,0,0]=3 3172 B8R0.27 C[C@@H](C(=O)O)C(F)(F)F MCULE-3170977195 [0,2,0,0,0,0|2,0,0]=4 3173 B8R0.27 NC(C(=O)O)C(F)(F)F MCULE-3733724676 [0,2,0,0,0,0|1,0,0]=3 3174 B8R0.27 NC(C(=O)O)C(F)(F)F MCULE-4711987697 [0,2,0,0,0,0|1,0,0]=3 3175 B8R0.27 N[C@@H](C(=O)O)C(F)(F)F MCULE-8591691301 [0,2,0,0,0,0|1,0,0]=3 3176 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-3358276371 [0,2,0,0,0,0|1,0,0]=3 3177 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-4061030354 [0,2,0,0,0,0|1,0,0]=3 3178 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-4421291156 [0,2,0,0,0,0|1,0,0]=3 3179 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-8051017113 [0,2,0,0,0,0|1,0,0]=3 3180 B8R0.27 O=C(O)C(Br)C(F)(F)F MCULE-5765432445 [0,2,0,0,0,0|2,0,0]=4 3181 B8R0.27 O=C(O)C(F)C(F)(F)F MCULE-3653113674 [0,2,0,0,0,0|2,0,0]=4 3182 B8R0.27 O=C(O)C(O)C(F)(F)F MCULE-5680860171 [0,2,0,0,0,0|2,0,0]=4 3183 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6359246138 [0,2,0,0,0,0|2,0,0]=4 3184 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6583810105 [0,2,0,0,0,0|2,0,0]=4 3185 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-7803397404 [0,2,0,0,0,0|2,0,0]=4 3186 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-9794017640 [0,2,0,0,0,0|2,0,0]=4 3187 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,2,0,0,0,0|0,1,0]=3 3188 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S MCULE-5559697921 [0,2,0,0,0,0|0,1,0]=3 3189 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,2,0,0,0,0|1,0,0]=3 3190 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,2,0,0,0,0|1,0,0]=3 3191 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,2,0,0,0,0|1,0,0]=3 3192 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,2,0,0,0,0|1,1,0]=4 3193 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [0,2,0,0,0,0|1,0,0]=3 3194 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,2,0,0,0,0|1,0,0]=3 3195 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,2,0,0,0,0|1,0,0]=3 3196 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,2,0,0,0,0|1,0,0]=3 3197 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,2,0,0,0,0|1,0,0]=3 3198 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,2,0,0,0,0|1,0,0]=3 3199 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,2,0,0,0,0|1,0,0]=3 3200 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,2,0,0,0,0|1,0,0]=3 3201 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,2,0,0,0,0|1,0,0]=3 3202 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,2,0,0,0,0|1,0,0]=3 3203 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,2,0,0,0,0|2,0,0]=4 3204 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,2,0,0,0,0|2,0,0]=4 3205 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,2,0,0,0,0|1,0,0]=3 3206 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,2,0,0,0,0|1,1,0]=4 3207 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,2,0,0,0,0|1,0,0]=3 3208 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,2,0,0,0,0|1,0,0]=3 3209 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,2,0,0,0,0|1,0,0]=3 3210 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,2,0,0,0,0|1,0,0]=3 3211 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7800115305 [0,2,0,0,0,0|2,0,0]=4 3212 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7817785327 [0,2,0,0,0,0|2,0,0]=4 3213 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [0,2,0,0,0,0|1,0,0]=3 3214 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [0,2,0,0,0,0|1,0,0]=3 3215 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [0,2,0,0,0,0|1,0,0]=3 3216 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,2,0,0,0,0|0,1,0]=3 3217 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-3721439514 [0,2,0,0,0,0|2,0,0]=4 3218 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-9356028516 [0,2,0,0,0,0|2,0,0]=4 3219 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [0,2,0,0,0,0|1,0,0]=3 3220 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [0,2,0,0,0,0|1,0,0]=3 3221 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [0,2,0,0,0,0|1,0,0]=3 3222 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [0,2,0,0,0,0|1,0,0]=3 3223 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [0,2,0,0,0,0|1,0,0]=3 3224 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [0,2,0,0,0,0|1,0,0]=3 3225 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [0,2,0,0,0,0|1,0,0]=3 3226 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [0,2,0,0,0,0|1,0,0]=3 3227 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,2,0,0,0,0|0,1,0]=3 3228 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,2,0,0,0,0|0,1,0]=3 3229 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,2,0,0,0,0|0,1,0]=3 3230 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,2,0,0,0,0|0,1,0]=3 3231 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,2,0,0,0,0|0,1,0]=3 3232 B8R0.18 COC(C(=O)O)C(C)Br MCULE-9261088290 [0,2,0,0,0,0|2,0,0]=4 3233 B8R0.18 COC(C(=O)O)C(C)C MCULE-4922461673 [0,2,0,0,0,0|2,0,0]=4 3234 B8R0.18 COC(C(=O)O)C(C)C MCULE-6661618070 [0,2,0,0,0,0|2,0,0]=4 3235 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [0,2,0,0,0,0|2,0,0]=4 3236 B8R0.18 CO[C@@H](C(=O)O)C(C)C MCULE-1619707717 [0,2,0,0,0,0|2,0,0]=4 3237 B8R0.18 CO[C@H](C(=O)O)C(C)C MCULE-2291773409 [0,2,0,0,0,0|2,0,0]=4 3238 B8R0.18 CSC(C(=O)O)C(C)C MCULE-9613087260 [0,2,0,0,0,0|2,0,0]=4 3239 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|2,0,0]=4 3240 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|2,0,0]=4 3241 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|2,0,0]=4 3242 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|1,0,0]=3 3243 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|1,1,0]=4 3244 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|2,0,0]=4 3245 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|2,0,0]=4 3246 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 3247 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|1,1,0]=4 3248 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|1,1,0]=4 3249 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|1,1,0]=4 3250 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|2,0,0]=4 3251 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|2,0,0]=4 3252 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|2,0,0]=4 3253 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|1,0,1]=4 3254 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|2,0,0]=4 3255 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|2,0,0]=4 3256 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|1,0,0]=3 3257 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|1,0,0]=3 3258 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|2,0,0]=4 3259 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|2,0,0]=4 3260 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|2,0,0]=4 3261 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|2,0,0]=4 3262 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|1,1,0]=4 3263 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|2,0,0]=4 3264 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|1,1,0]=4 3265 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|2,0,0]=4 3266 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|1,1,0]=4 3267 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|2,0,0]=4 3268 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|1,0,0]=3 3269 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,0]=3 3270 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|0,1,0]=3 3271 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,0]=3 3272 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,0]=3 3273 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|0,1,0]=3 3274 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|0,1,0]=3 3275 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|1,0,1]=4 3276 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|0,1,1]=4 3277 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|0,1,1]=4 3278 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|0,1,1]=4 3279 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|0,1,1]=4 3280 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|0,1,1]=4 3281 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|0,1,1]=4 3282 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|0,1,1]=4 3283 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,1,0,0|2,0,0]=4 3284 B6R1.4 CC1CCC1=O MCULE-4548181715 [1,0,0,1,0,0|2,0,0]=4 3285 B6R1.4 CC1CNC1=O MCULE-5523309752 [1,0,0,1,0,0|2,0,0]=4 3286 B6R1.4 CC1COC1=O MCULE-9711165188 [1,0,0,1,0,0|1,1,0]=4 3287 B6R1.4 NC1CCC1=O MCULE-3868209809 [1,0,0,1,0,0|1,0,0]=3 3288 B6R1.4 NC1CCC1=O MCULE-9741389143 [1,0,0,1,0,0|1,0,0]=3 3289 B6R1.4 NC1CCC1O MCULE-4636397534 [1,0,0,1,0,0|1,0,1]=4 3290 B6R1.4 NC1CCC1O MCULE-7148132261 [1,0,0,1,0,0|1,0,1]=4 3291 B6R1.4 NC1CNC1=O MCULE-2761616663 [1,0,0,1,0,0|1,0,0]=3 3292 B6R1.4 NC1CNC1=O MCULE-3021306383 [1,0,0,1,0,0|1,0,0]=3 3293 B6R1.4 NC1CNC1=O MCULE-3943057121 [1,0,0,1,0,0|1,0,0]=3 3294 B6R1.4 NC1COC1=O MCULE-6998565452 [1,0,0,1,0,0|0,1,0]=3 3295 B6R1.4 NN1CCC1=O MCULE-6200802911 [1,0,0,1,0,0|2,0,0]=4 3296 B6R1.4 NN1CCC1=O MCULE-8249778821 [1,0,0,1,0,0|2,0,0]=4 3297 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [1,0,0,1,0,0|1,0,1]=4 3298 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [1,0,0,1,0,0|1,0,1]=4 3299 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [1,0,0,1,0,0|1,0,1]=4 3300 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [1,0,0,1,0,0|1,0,1]=4 3301 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [1,0,0,1,0,0|1,0,1]=4 3302 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [1,0,0,1,0,0|1,0,1]=4 3303 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [1,0,0,1,0,0|1,0,1]=4 3304 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [1,0,0,1,0,0|1,0,1]=4 3305 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [1,0,0,1,0,0|1,0,0]=3 3306 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [1,0,0,1,0,0|1,0,0]=3 3307 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [1,0,0,1,0,0|1,0,0]=3 3308 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [1,0,0,1,0,0|1,0,0]=3 3309 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [1,0,0,1,0,0|0,1,0]=3 3310 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [1,0,0,1,0,0|0,1,0]=3 3311 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [1,0,0,1,0,0|1,0,1]=4 3312 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [1,0,0,1,0,0|1,0,1]=4 3313 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [1,0,0,1,0,0|1,0,1]=4 3314 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [1,0,0,1,0,0|1,0,1]=4 3315 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [1,0,0,1,0,0|1,0,1]=4 3316 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [1,0,0,1,0,0|1,0,1]=4 3317 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [1,0,0,1,0,0|1,0,0]=3 3318 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [1,0,0,1,0,0|1,0,0]=3 3319 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [1,0,0,1,0,0|1,0,0]=3 3320 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [1,0,0,1,0,0|1,0,0]=3 3321 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [1,0,0,1,0,0|0,1,0]=3 3322 B6R1.4 O=C1CCC1Br MCULE-1088592133 [1,0,0,1,0,0|2,0,0]=4 3323 B6R1.4 O=C1CCC1F MCULE-6197375881 [1,0,0,1,0,0|2,0,0]=4 3324 B6R1.4 O=C1CCC1O MCULE-1248327203 [1,0,0,1,0,0|2,0,0]=4 3325 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [1,0,0,1,0,0|2,0,0]=4 3326 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [1,0,0,1,0,0|0,1,0]=3 3327 B6R1.6 C1(CCN1)CO MCULE-6309114010 [1,0,0,1,0,0|1,0,1]=4 3328 B6R1.6 O=CC1CCC1 MCULE-8678026416 [1,0,0,1,0,0|2,0,0]=4 3329 B6R1.6 O=CC1COC1 MCULE-3773699476 [1,0,0,1,0,0|1,1,0]=4 3330 B6R1.6 O=CC1CSC1 MCULE-2648443908 [1,0,0,1,0,0|1,1,0]=4 3331 B6R1.6 OCC1CCN1 MCULE-1812443062 [1,0,0,1,0,0|1,0,1]=4 3332 B6R1.6 OCC1CCN1 MCULE-8390631765 [1,0,0,1,0,0|1,0,1]=4 3333 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [1,0,0,1,0,0|1,0,1]=4 3334 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [1,0,0,1,0,0|1,0,1]=4 3335 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [1,0,0,1,0,0|1,0,1]=4 3336 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [1,0,0,1,0,0|1,0,1]=4 3337 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [1,0,0,1,0,0|1,0,1]=4 3338 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [1,0,0,1,0,0|1,0,1]=4 3339 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [1,0,0,1,0,0|2,0,0]=4 3340 B6R1.7 NC1(CC1)CO MCULE-5890036745 [1,0,0,1,0,0|1,0,1]=4 3341 B6R1.7 NC1(CC1)CO MCULE-6476116416 [1,0,0,1,0,0|1,0,1]=4 3342 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [1,0,0,1,0,0|2,0,0]=4 3343 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,0,0,1,0,1|2,0,0]=4 3344 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,0,0,1,0,1|2,0,0]=4 3345 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,0,0,1,0,1|2,0,0]=4 3346 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,0,0,1,0,1|2,0,0]=4 3347 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,0,0,1,0,1|2,0,0]=4 3348 B8R1.1 NCC1=NC(=O)ON1 MCULE-1736493364 [0,0,0,1,0,1|1,0,1]=4 3349 B8R1.1 NCC1=NC(=O)ON1 MCULE-9797025169 [0,0,0,1,0,1|1,0,1]=4 3350 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,0,0,1,0,1|2,0,0]=4 3351 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,0,0,1,0,1|2,0,0]=4 3352 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,0,0,1,0,1|2,0,0]=4 3353 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,0,0,1,0,1|2,0,0]=4 3354 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,0,0,1,0,1|1,1,0]=4 3355 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,0,0,1,0,1|2,0,0]=4 3356 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,0,0,1,0,1|2,0,0]=4 3357 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,0,0,1,0,1|1,1,0]=4 3358 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,0,0,1,0,1|1,1,0]=4 3359 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,0,0,1,0,1|1,1,0]=4 3360 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,0,0,1,0,1|1,1,0]=4 3361 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,0,0,1,0,1|2,0,0]=4 3362 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,0,0,1,0,1|2,0,0]=4 3363 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,0,0,1,0,1|1,1,0]=4 3364 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,0,0,1,0,1|1,1,0]=4 3365 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,0,0,1,0,1|2,0,0]=4 3366 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,0,0,1,0,1|2,0,0]=4 3367 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,0,0,1,0,1|1,1,0]=4 3368 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,1,0,1|2,0,0]=4 3369 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,1,0,1|2,0,0]=4 3370 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,1|2,0,0]=4 3371 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,1|2,0,0]=4 3372 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,1|2,0,0]=4 3373 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,1|2,0,0]=4 3374 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,1|2,0,0]=4 3375 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,1|2,0,0]=4 3376 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,1|1,1,0]=4 3377 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,1|1,1,0]=4 3378 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,1|2,0,0]=4 3379 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,1|2,0,0]=4 3380 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,1|1,1,0]=4 3381 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,1|1,1,0]=4 3382 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,1|2,0,0]=4 3383 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,1|2,0,0]=4 3384 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,1|2,0,0]=4 3385 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,1|2,0,0]=4 3386 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,0,0,1,0,1|2,0,0]=4 3387 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,0,0,1,0,1|1,1,0]=4 3388 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,0,0,1,0,1|2,0,0]=4 3389 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,0,0,1,0,1|2,0,0]=4 3390 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,0,0,1,0,1|2,0,0]=4 3391 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,0,1|0,1,1]=4 3392 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,0,1|0,1,1]=4 3393 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,0,1|0,1,1]=4 3394 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,0,1|0,1,1]=4 3395 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,0,1|0,1,1]=4 3396 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,0,1|0,1,1]=4 3397 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,0,1|0,1,1]=4 3398 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,0,1|0,1,1]=4 3399 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,0,0,1,0,1|2,0,0]=4 3400 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,0,0,1,0,1|2,0,0]=4 3401 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,1|2,0,0]=4 3402 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,1,0,1|2,0,0]=4 3403 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,0,0,1,0,1|2,0,0]=4 3404 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,0,0,1,0,1|2,0,0]=4 3405 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,0,0,1,0,1|2,0,0]=4 3406 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,1|1,0,0]=3 3407 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,1|1,0,0]=3 3408 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,1|1,0,0]=3 3409 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,1|1,0,0]=3 3410 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,1|1,0,0]=3 3411 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,1|1,0,0]=3 3412 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,1|1,0,0]=3 3413 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,1|1,0,0]=3 3414 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,1|1,0,0]=3 3415 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,1|1,0,0]=3 3416 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,1|1,0,0]=3 3417 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,1|1,0,0]=3 3418 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,0,0,1,0,1|2,0,0]=4 3419 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,1|2,0,0]=4 3420 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,1|2,0,0]=4 3421 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,1|2,0,0]=4 3422 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,1|1,0,0]=3 3423 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,1|1,0,0]=3 3424 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,1|1,0,0]=3 3425 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,1|1,0,0]=3 3426 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,0,0,1,0,1|2,0,0]=4 3427 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,0,0,1,0,1|2,0,0]=4 3428 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,1|1,0,0]=3 3429 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,1,0,1|2,0,0]=4 3430 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,0,0,1,0,1|2,0,0]=4 3431 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,0,0,1,0,1|2,0,0]=4 3432 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,0,0,1,0,1|2,0,0]=4 3433 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,0,0,1,0,1|1,1,0]=4 3434 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,1,0,1|1,1,0]=4 3435 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,0,0,1,0,1|2,0,0]=4 3436 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,0,0,1,0,1|1,0,0]=3 3437 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,0,0,1,0,1|1,0,0]=3 3438 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,0,0,1,0,1|2,0,0]=4 3439 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,1|2,0,0]=4 3440 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,1|2,0,0]=4 3441 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,1|2,0,0]=4 3442 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,1|2,0,0]=4 3443 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,1|2,0,0]=4 3444 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,1|2,0,0]=4 3445 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,1|2,0,0]=4 3446 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,1|1,1,0]=4 3447 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,1|2,0,0]=4 3448 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,1|1,1,0]=4 3449 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,1|1,1,0]=4 3450 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,0,0,1,0,1|2,0,0]=4 3451 B8R1.5 C=C1COCCC1N MCULE-4966385224 [0,1,0,1,0,0|2,0,0]=4 3452 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,1,0,1,0,0|2,0,0]=4 3453 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,1,0,1,0,0|2,0,0]=4 3454 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,1,0,1,0,0|2,0,0]=4 3455 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,1,0,1,0,0|2,0,0]=4 3456 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,1,0,1,0,0|2,0,0]=4 3457 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,1,0,1,0,0|2,0,0]=4 3458 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,1,0,1,0,0|2,0,0]=4 3459 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,1,0,1,0,0|2,0,0]=4 3460 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,1,0,1,0,0|1,1,0]=4 3461 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,1,0,1,0,0|1,1,0]=4 3462 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,1,0,1,0,0|2,0,0]=4 3463 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,1,0,1,0,0|2,0,0]=4 3464 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,1,0,1,0,0|2,0,0]=4 3465 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,1,0,1,0,0|2,0,0]=4 3466 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,1,0,1,0,0|2,0,0]=4 3467 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,1,0,1,0,0|2,0,0]=4 3468 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,1,0,1,0,0|2,0,0]=4 3469 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,1,0,1,0,0|2,0,0]=4 3470 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,1,0,1,0,0|2,0,0]=4 3471 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,1,0,1,0,0|2,0,0]=4 3472 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,1,0,1,0,0|2,0,0]=4 3473 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,1,0,1,0,0|2,0,0]=4 3474 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,1,0,1,0,0|2,0,0]=4 3475 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,1,0,1,0,0|2,0,0]=4 3476 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,1,0,1,0,0|2,0,0]=4 3477 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,1,0,1,0,0|1,0,0]=3 3478 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,1,0,1,0,0|1,0,0]=3 3479 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,1,0,1,0,0|1,1,0]=4 3480 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,1,0,1,0,0|2,0,0]=4 3481 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,1,0,1,0,0|2,0,0]=4 3482 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,1,0,1,0,0|2,0,0]=4 3483 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,1,0,1,0,0|2,0,0]=4 3484 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,1,0,1,0,0|2,0,0]=4 3485 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,1,0,1,0,0|2,0,0]=4 3486 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,1,0,1,0,0|2,0,0]=4 3487 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,1,0,1,0,0|2,0,0]=4 3488 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,1,0,1,0,0|2,0,0]=4 3489 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,1,0,1,0,0|2,0,0]=4 3490 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,1,0,1,0,0|2,0,0]=4 3491 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,1,0,1,0,0|2,0,0]=4 3492 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,1,0,1,0,0|2,0,0]=4 3493 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,1,0,1,0,0|2,0,0]=4 3494 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,1,0,1,0,0|2,0,0]=4 3495 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,1,0,1,0,0|2,0,0]=4 3496 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,1,0,1,0,0|1,1,0]=4 3497 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,1,0,1,0,0|2,0,0]=4 3498 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,1,0,1,0,0|2,0,0]=4 3499 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,1,0,1,0,0|2,0,0]=4 3500 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,1,0,1,0,0|2,0,0]=4 3501 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,1,0,1,0,0|2,0,0]=4 3502 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,1,0,1,0,0|2,0,0]=4 3503 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,1,0,1,0,0|2,0,0]=4 3504 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,1,0,1,0,0|2,0,0]=4 3505 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,1,0,1,0,0|2,0,0]=4 3506 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,1,0,1,0,0|2,0,0]=4 3507 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,1,0,1,0,0|2,0,0]=4 3508 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,1,0,1,0,0|2,0,0]=4 3509 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,1,0,1,0,0|2,0,0]=4 3510 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,1,0,1,0,0|2,0,0]=4 3511 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,1,0,1,0,0|2,0,0]=4 3512 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,1,0,1,0,0|2,0,0]=4 3513 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,1,0,1,0,0|2,0,0]=4 3514 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,1,0,1,0,0|1,0,1]=4 3515 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,1,0,1,0,0|1,0,1]=4 3516 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,1,0,1,0,0|1,0,1]=4 3517 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,1,0,1,0,0|1,0,1]=4 3518 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,1,0,1,0,0|2,0,0]=4 3519 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [0,1,0,1,0,0|2,0,0]=4 3520 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,1,0,1,0,0|1,0,1]=4 3521 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,1,0,1,0,0|2,0,0]=4 3522 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,1,0,1,0,0|1,0,0]=3 3523 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,1,0,1,0,0|1,0,0]=3 3524 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,1,0,1,0,0|1,0,0]=3 3525 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,1,0,1,0,0|1,0,0]=3 3526 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,1,0,1,0,0|2,0,0]=4 3527 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,1,0,1,0,0|2,0,0]=4 3528 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,1,0,1,0,0|2,0,0]=4 3529 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,1,0,1,0,0|1,0,0]=3 3530 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,1,0,1,0,0|1,0,0]=3 3531 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,1,0,1,0,0|1,0,0]=3 3532 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,1,0,1,0,0|1,1,0]=4 3533 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,1,0,1,0,0|1,1,0]=4 3534 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,1,0,1,0,0|0,1,0]=3 3535 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,1,0,1,0,0|0,1,0]=3 3536 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,1,0,1,0,0|0,1,0]=3 3537 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,1,0,1,0,0|0,1,0]=3 3538 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,1,0,1,0,0|1,1,0]=4 3539 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,1,0,1,0,0|1,0,0]=3 3540 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,1,0,1,0,0|2,0,0]=4 3541 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,1,0,1,0,0|1,0,1]=4 3542 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,1,0,1,0,0|1,0,1]=4 3543 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,1,0,1,0,0|1,0,1]=4 3544 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,1,0,1,0,0|1,0,1]=4 3545 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,1,0,1,0,0|1,0,0]=3 3546 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,1,0,1,0,0|1,0,0]=3 3547 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,1,0,1,0,0|1,0,0]=3 3548 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,1,0,1,0,0|1,0,0]=3 3549 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,1,0,1,0,0|2,0,0]=4 3550 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,1,0,1,0,0|2,0,0]=4 3551 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,1,0,1,0,0|1,0,0]=3 3552 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,1,0,1,0,0|1,0,0]=3 3553 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,1,0,1,0,0|1,0,0]=3 3554 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,1,0,1,0,0|1,0,0]=3 3555 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,1,0,1,0,0|1,1,0]=4 3556 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,1,0,1,0,0|1,1,0]=4 3557 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,1,0,1,0,0|0,1,0]=3 3558 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,1,0,1,0,0|0,1,0]=3 3559 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,1,0,1,0,0|0,1,0]=3 3560 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,1,0,1,0,0|0,1,0]=3 3561 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,1,0,1,0,0|0,1,0]=3 3562 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,1,0,1,0,0|0,1,0]=3 3563 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,1,0,1,0,0|1,0,1]=4 3564 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,1,0,1,0,0|1,0,1]=4 3565 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,1,0,1,0,0|1,0,1]=4 3566 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,1,0,1,0,0|1,0,0]=3 3567 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,1,0,1,0,0|1,0,0]=3 3568 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,1,0,1,0,0|2,0,0]=4 3569 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,1,0,1,0,0|2,0,0]=4 3570 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,1,0,1,0,0|1,0,0]=3 3571 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,1,0,1,0,0|1,0,0]=3 3572 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,1,0,1,0,0|1,0,0]=3 3573 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,1,0,1,0,0|1,0,0]=3 3574 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,1,0,1,0,0|1,1,0]=4 3575 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,1,0,1,0,0|1,1,0]=4 3576 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,1,0,1,0,0|0,1,0]=3 3577 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,1,0,1,0,0|0,1,0]=3 3578 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,1,0,1,0,0|1,0,1]=4 3579 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,1,0,1,0,0|0,1,1]=4 3580 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,1,0,1,0,0|1,0,1]=4 3581 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,1,0,1,0,0|1,0,1]=4 3582 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,1,0,1,0,0|0,1,1]=4 3583 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,1,0,1,0,0|2,0,0]=4 3584 B8R1.19 CC1(CCOC1=O)Br MCULE-3061445898 [0,1,0,1,0,0|2,0,0]=4 3585 B8R1.19 CC1(CCOC1=O)C MCULE-4294599964 [0,1,0,1,0,0|2,0,0]=4 3586 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,1,0,1,0,0|1,0,0]=3 3587 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,1,0,1,0,0|1,0,0]=3 3588 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,1,0,1,0,0|0,1,0]=3 3589 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,1,0,1,0,0|2,0,0]=4 3590 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,1,0,1,0,0|2,0,0]=4 3591 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,1,0,1,0,0|1,0,0]=3 3592 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,1,0,1,0,0|2,0,0]=4 3593 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,1,0,1,0,0|1,0,0]=3 3594 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,1,0,1,0,0|2,0,0]=4 3595 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,1,0,1,0,0|2,0,0]=4 3596 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,1,0,1,0,0|1,0,0]=3 3597 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,1,0,1,0,0|2,0,0]=4 3598 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,1,0,1,0,0|2,0,0]=4 3599 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,1,0,1,0,0|2,0,0]=4 3600 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,1,0,1,0,0|2,0,0]=4 3601 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,1,0,1,0,0|2,0,0]=4 3602 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,1,0,1,0,0|2,0,0]=4 3603 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,1,0,1,0,0|2,0,0]=4 3604 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,1,0,1,0,0|2,0,0]=4 3605 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,1,0,1,0,0|2,0,0]=4 3606 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,1,0,1,0,0|1,1,0]=4 3607 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,1,0,1,0,0|2,0,0]=4 3608 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,1,0,1,0,0|2,0,0]=4 3609 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,1,0,1,0,0|1,1,0]=4 3610 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,1,0,1,0,0|2,0,0]=4 3611 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,1,0,1,0,0|2,0,0]=4 3612 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,1,0,1,0,0|1,1,0]=4 3613 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,1,0,1,0,0|1,1,0]=4 3614 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,1,0,1,0,0|0,1,0]=3 3615 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,1,0,1,0,0|1,1,0]=4 3616 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,1,0,1,0,0|0,1,0]=3 3617 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,1,0,1,0,0|0,1,0]=3 3618 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,1,0,1,0,0|0,1,0]=3 3619 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,1,0,1,0,0|0,1,0]=3 3620 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,1,0,1,0,0|2,0,0]=4 3621 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,1,0,1,0,0|2,0,0]=4 3622 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,1,0,1,0,0|2,0,0]=4 3623 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,1,0,0|2,0,0]=4 3624 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,1,0,1,0,0|2,0,0]=4 3625 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,1,0,1,0,0|2,0,0]=4 3626 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,1,0,1,0,0|2,0,0]=4 3627 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,1,0,1,0,0|2,0,0]=4 3628 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|1,0,0]=3 3629 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,1,0,1,0,0|2,0,0]=4 3630 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,1,0,1,0,0|2,0,0]=4 3631 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,1,0,1,0,0|2,0,0]=4 3632 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|1,0,0]=3 3633 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|1,0,0]=3 3634 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|1,0,0]=3 3635 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|1,0,0]=3 3636 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|1,0,0]=3 3637 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|1,0,0]=3 3638 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,1,0,1,0,0|2,0,0]=4 3639 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,1,0,1,0,0|2,0,0]=4 3640 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,1,0,1,0,0|2,0,0]=4 3641 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,1,0,1,0,0|2,0,0]=4 3642 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,1,0,1,0,0|2,0,0]=4 3643 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,1,0,1,0,0|1,1,0]=4 3644 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [0,1,0,1,0,0|2,0,0]=4 3645 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [0,1,0,1,0,0|2,0,0]=4 3646 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [0,1,0,1,0,0|1,1,0]=4 3647 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,1,0,1,0,0|1,1,0]=4 3648 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,1,0,1,0,0|2,0,0]=4 3649 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,1,0,1,0,0|2,0,0]=4 3650 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,1,0,1,0,0|1,1,0]=4 3651 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,1,0,1,0,0|2,0,0]=4 3652 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,1,0,1,0,0|2,0,0]=4 3653 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,1,0,1,0,0|1,0,0]=3 3654 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,1,0,1,0,0|1,0,0]=3 3655 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,1,0,1,0,0|1,0,0]=3 3656 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,1,0,1,0,0|1,0,0]=3 3657 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,1,0,1,0,0|0,1,0]=3 3658 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,1,0,1,0,0|0,1,0]=3 3659 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,1,0,1,0,0|0,1,0]=3 3660 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [0,1,0,1,0,0|2,0,0]=4 3661 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [0,1,0,1,0,0|2,0,0]=4 3662 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [0,1,0,1,0,0|2,0,0]=4 3663 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [0,1,0,1,0,0|2,0,0]=4 3664 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [0,1,0,1,0,0|2,0,0]=4 3665 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [0,1,0,1,0,0|2,0,0]=4 3666 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [0,1,0,1,0,0|1,1,0]=4 3667 B8R1.11 CCC1CCOC1=O MCULE-2375464273 [0,1,0,1,0,0|2,0,0]=4 3668 B8R1.11 CCC1COCC1=O MCULE-5486171882 [0,1,0,1,0,0|2,0,0]=4 3669 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [0,1,0,1,0,0|2,0,0]=4 3670 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [0,1,0,1,0,0|2,0,0]=4 3671 B8R1.11 COC1CCOC1=O MCULE-6321591157 [0,1,0,1,0,0|2,0,0]=4 3672 B8R1.11 N#CC1CCOC1=O MCULE-4716981850 [0,1,0,1,0,0|1,0,1]=4 3673 B8R1.11 NCC1CCCC1=O MCULE-4144323636 [0,1,0,1,0,0|2,0,0]=4 3674 B8R1.11 NCC1CCCC1=O MCULE-8761719757 [0,1,0,1,0,0|2,0,0]=4 3675 B8R1.11 NCC1CCOC1=O MCULE-5843107965 [0,1,0,1,0,0|1,0,0]=3 3676 B8R1.11 NCC1CCOC1=O MCULE-6077637171 [0,1,0,1,0,0|1,0,0]=3 3677 B8R1.11 NOC1CCOC1=O MCULE-1912651031 [0,1,0,1,0,0|1,0,0]=3 3678 B8R1.11 O=CC1CCOC1=O MCULE-6358043470 [0,1,0,1,0,0|2,0,0]=4 3679 B8R1.38 C1(CCN1)C(=O)OC MCULE-4001628620 [0,1,0,1,0,0|1,0,0]=3 3680 B8R1.38 C1(CCN1)C(=O)OC MCULE-6304194058 [0,1,0,1,0,0|1,0,0]=3 3681 B8R1.38 COC(=O)C1CCC1 MCULE-2900002276 [0,1,0,1,0,0|2,0,0]=4 3682 B8R1.38 COC(=O)C1CCN1 MCULE-2766647683 [0,1,0,1,0,0|1,0,0]=3 3683 B8R1.38 COC(=O)C1CCN1 MCULE-6440918459 [0,1,0,1,0,0|1,0,0]=3 3684 B8R1.38 COC(=O)C1CCN1 MCULE-6964468849 [0,1,0,1,0,0|1,0,0]=3 3685 B8R1.38 COC(=O)C1CCO1 MCULE-7860079290 [0,1,0,1,0,0|2,0,0]=4 3686 B8R1.38 COC(=O)C1CNC1 MCULE-5731952071 [0,1,0,1,0,0|2,0,0]=4 3687 B8R1.38 COC(=O)C1CNC1 MCULE-9436948908 [0,1,0,1,0,0|2,0,0]=4 3688 B8R1.38 COC(=O)C1COC1 MCULE-8897565340 [0,1,0,1,0,0|1,1,0]=4 3689 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-4539844768 [0,1,0,1,0,0|1,0,0]=3 3690 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-5257592845 [0,1,0,1,0,0|1,0,0]=3 3691 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7483834256 [0,1,0,1,0,0|1,0,0]=3 3692 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7502882004 [0,1,0,1,0,0|1,0,0]=3 3693 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-1944761309 [0,1,0,1,0,0|1,0,0]=3 3694 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-2075005250 [0,1,0,1,0,0|1,0,0]=3 3695 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-5626630564 [0,1,0,1,0,0|1,0,0]=3 3696 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-8309542560 [0,1,0,1,0,0|1,0,0]=3 3697 B8R1.38 O=C(NO)C1CCC1 MCULE-5722727330 [0,1,0,1,0,0|2,0,0]=4 3698 B8R1.39 CNC(=O)C1(CC1)N MCULE-5670276563 [0,1,0,1,0,0|2,0,0]=4 3699 B8R1.39 COC(=O)C1(CC1)Br MCULE-3569653934 [0,1,0,1,0,0|2,0,0]=4 3700 B8R1.39 COC(=O)C1(CC1)C MCULE-1688202939 [0,1,0,1,0,0|2,0,0]=4 3701 B8R1.39 COC(=O)C1(CC1)F MCULE-5595108152 [0,1,0,1,0,0|2,0,0]=4 3702 B8R1.39 COC(=O)C1(CC1)N MCULE-7742849761 [0,1,0,1,0,0|1,0,0]=3 3703 B8R1.39 COC(=O)C1(CC1)N MCULE-8414845491 [0,1,0,1,0,0|1,0,0]=3 3704 B8R1.39 COC(=O)C1(CC1)O MCULE-3205655719 [0,1,0,1,0,0|2,0,0]=4 3705 B8R1.39 COC(=O)C1(CO1)C MCULE-9345493771 [0,1,0,1,0,0|1,1,0]=4 3706 B8R1.50 CC1OCC(=O)C1C MCULE-5834923125 [0,1,0,1,0,0|2,0,0]=4 3707 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [0,1,0,1,0,0|2,0,0]=4 3708 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [0,1,0,1,0,0|2,0,0]=4 3709 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [0,1,0,1,0,0|2,0,0]=4 3710 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [0,1,0,1,0,0|2,0,0]=4 3711 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [0,1,0,1,0,0|2,0,0]=4 3712 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [0,1,0,1,0,0|2,0,0]=4 3713 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [0,1,0,1,0,0|2,0,0]=4 3714 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [0,1,0,1,0,0|2,0,0]=4 3715 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [0,1,0,1,0,0|2,0,0]=4 3716 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [0,1,0,1,0,0|1,0,0]=3 3717 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,1,0,1,0,0|1,1,0]=4 3718 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [0,1,0,1,0,0|1,0,0]=3 3719 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [0,1,0,1,0,0|1,0,0]=3 3720 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [0,1,0,1,0,0|1,0,0]=3 3721 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,1,0,0|1,1,0]=4 3722 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,1,0,0|1,1,0]=4 3723 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,1,0,0|1,1,0]=4 3724 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,1,0,0|1,1,0]=4 3725 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,1,0,0|1,1,0]=4 3726 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,1,0,0|1,1,0]=4 3727 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,1,0,0|1,1,0]=4 3728 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,1,0,0|1,1,0]=4 3729 B8R1.63 C#CC1(CC1)C(=O)O MCULE-6621925501 [0,1,0,1,0,0|2,0,0]=4 3730 B8R1.63 C=CC1(CC1)C(=O)O MCULE-8050617761 [0,1,0,1,0,0|2,0,0]=4 3731 B8R1.63 CCC1(CC1)C(=O)O MCULE-7607784304 [0,1,0,1,0,0|2,0,0]=4 3732 B8R1.63 CNC1(CC1)C(=O)O MCULE-3174431935 [0,1,0,1,0,0|1,0,0]=3 3733 B8R1.63 CNC1(CC1)C(=O)O MCULE-5558985564 [0,1,0,1,0,0|1,0,0]=3 3734 B8R1.63 COC1(CC1)C(=O)O MCULE-2609996745 [0,1,0,1,0,0|2,0,0]=4 3735 B8R1.63 CSC1(CC1)C(=O)O MCULE-9737877956 [0,1,0,1,0,0|2,0,0]=4 3736 B8R1.63 N#CC1(CC1)C(=O)O MCULE-9709025654 [0,1,0,1,0,0|1,0,1]=4 3737 B8R1.63 NCC1(CC1)C(=O)N MCULE-4765639788 [0,1,0,1,0,0|2,0,0]=4 3738 B8R1.63 NCC1(CC1)C(=O)N MCULE-5417302237 [0,1,0,1,0,0|2,0,0]=4 3739 B8R1.63 NCC1(CC1)C(=O)O MCULE-1804159571 [0,1,0,1,0,0|1,0,0]=3 3740 B8R1.63 NCC1(CC1)C(=O)O MCULE-4552998222 [0,1,0,1,0,0|1,0,0]=3 3741 B8R1.63 O=C(O)C1(CC1)CBr MCULE-6158877293 [0,1,0,1,0,0|2,0,0]=4 3742 B8R1.63 O=C(O)C1(CC1)CF MCULE-8400153389 [0,1,0,1,0,0|2,0,0]=4 3743 B8R1.63 O=C(O)C1(CC1)CO MCULE-4753217590 [0,1,0,1,0,0|1,1,0]=4 3744 B8R1.63 O=CC1(CC1)C(=O)O MCULE-8329913880 [0,1,0,1,0,0|2,0,0]=4 3745 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,1,0,1,0,0|2,0,0]=4 3746 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,1,0,1,0,0|2,0,0]=4 3747 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,1,0,1,0,0|2,0,0]=4 3748 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,1,0,1,0,0|2,0,0]=4 3749 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,1,0,1,0,0|2,0,0]=4 3750 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,1,0,1,0,0|2,0,0]=4 3751 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [0,1,0,1,0,0|2,0,0]=4 3752 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [0,1,0,1,0,0|2,0,0]=4 3753 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [0,1,0,1,0,0|2,0,0]=4 3754 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [0,1,0,1,0,0|2,0,0]=4 3755 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [0,1,0,1,0,0|2,0,0]=4 3756 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [0,1,0,1,0,0|2,0,0]=4 3757 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [0,1,0,1,0,0|2,0,0]=4 3758 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [0,1,0,1,0,0|2,0,0]=4 3759 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [0,1,0,1,0,0|2,0,0]=4 3760 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,0,0,0,0,2|1,0,1]=4 3761 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,0,0,0,0,2|1,0,1]=4 3762 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,0,0,0,0,2|1,0,1]=4 3763 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,0,0,0,0,2|1,0,1]=4 3764 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,0,0,0,0,2|1,0,1]=4 3765 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,0,0,0,0,2|1,1,0]=4 3766 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,0,0,0,0,2|1,1,0]=4 3767 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,0,0,0,0,2|2,0,0]=4 3768 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,0,0,0,0,2|2,0,0]=4 3769 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,0,0,0,0,2|2,0,0]=4 3770 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,0,0,0,0,2|2,0,0]=4 3771 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,0,0,0,2|1,0,0]=3 3772 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,0,0,0,2|1,0,0]=3 3773 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,0,0,0,0,2|2,0,0]=4 3774 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,0,0,0,0,2|1,0,0]=3 3775 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,0,0,0,0,2|1,0,0]=3 3776 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,0,0,0,0,2|1,0,0]=3 3777 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,0,0,0,0,2|1,0,0]=3 3778 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,0,0,0,0,2|0,1,0]=3 3779 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,0,0,0,0,2|0,1,0]=3